20 import builtins
as __builtin__
24 strthis =
"proxy of " + self.this.__repr__()
25 except __builtin__.Exception:
27 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
30 def _swig_setattr_nondynamic_instance_variable(set):
31 def set_instance_attr(self, name, value):
33 set(self, name, value)
34 elif name ==
"thisown":
36 elif hasattr(self, name)
and isinstance(getattr(type(self), name), property):
37 set(self, name, value)
39 raise AttributeError(
"You cannot add instance attributes to %s" % self)
40 return set_instance_attr
43 def _swig_setattr_nondynamic_class_variable(set):
44 def set_class_attr(cls, name, value):
45 if hasattr(cls, name)
and not isinstance(getattr(cls, name), property):
48 raise AttributeError(
"You cannot add class attributes to %s" % cls)
52 class _SwigNonDynamicMeta(type):
53 """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
54 __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
59 class IMP_CORE_SwigPyIterator(object):
60 r"""Proxy of C++ swig::IMP_CORE_SwigPyIterator class."""
62 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
64 def __init__(self, *args, **kwargs):
65 raise AttributeError(
"No constructor defined - class is abstract")
67 __swig_destroy__ = _IMP_core.delete_IMP_CORE_SwigPyIterator
70 r"""value(IMP_CORE_SwigPyIterator self) -> PyObject *"""
71 return _IMP_core.IMP_CORE_SwigPyIterator_value(self)
74 r"""incr(IMP_CORE_SwigPyIterator self, size_t n=1) -> IMP_CORE_SwigPyIterator"""
75 return _IMP_core.IMP_CORE_SwigPyIterator_incr(self, n)
78 r"""decr(IMP_CORE_SwigPyIterator self, size_t n=1) -> IMP_CORE_SwigPyIterator"""
79 return _IMP_core.IMP_CORE_SwigPyIterator_decr(self, n)
81 def distance(self, x):
82 r"""distance(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> ptrdiff_t"""
83 return _IMP_core.IMP_CORE_SwigPyIterator_distance(self, x)
86 r"""equal(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> bool"""
87 return _IMP_core.IMP_CORE_SwigPyIterator_equal(self, x)
90 r"""copy(IMP_CORE_SwigPyIterator self) -> IMP_CORE_SwigPyIterator"""
91 return _IMP_core.IMP_CORE_SwigPyIterator_copy(self)
94 r"""__next__(IMP_CORE_SwigPyIterator self) -> PyObject *"""
95 return _IMP_core.IMP_CORE_SwigPyIterator___next__(self)
98 r"""previous(IMP_CORE_SwigPyIterator self) -> PyObject *"""
99 return _IMP_core.IMP_CORE_SwigPyIterator_previous(self)
101 def advance(self, n):
102 r"""advance(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
103 return _IMP_core.IMP_CORE_SwigPyIterator_advance(self, n)
106 r"""__eq__(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> bool"""
107 return _IMP_core.IMP_CORE_SwigPyIterator___eq__(self, x)
110 r"""__ne__(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> bool"""
111 return _IMP_core.IMP_CORE_SwigPyIterator___ne__(self, x)
113 def __iadd__(self, n):
114 r"""__iadd__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
115 return _IMP_core.IMP_CORE_SwigPyIterator___iadd__(self, n)
117 def __isub__(self, n):
118 r"""__isub__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
119 return _IMP_core.IMP_CORE_SwigPyIterator___isub__(self, n)
121 def __add__(self, n):
122 r"""__add__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
123 return _IMP_core.IMP_CORE_SwigPyIterator___add__(self, n)
125 def __sub__(self, *args):
127 __sub__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator
128 __sub__(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> ptrdiff_t
130 return _IMP_core.IMP_CORE_SwigPyIterator___sub__(self, *args)
135 _IMP_core.IMP_CORE_SwigPyIterator_swigregister(IMP_CORE_SwigPyIterator)
142 IMP_DEBUG = _IMP_core.IMP_DEBUG
144 IMP_RELEASE = _IMP_core.IMP_RELEASE
146 IMP_SILENT = _IMP_core.IMP_SILENT
148 IMP_PROGRESS = _IMP_core.IMP_PROGRESS
150 IMP_TERSE = _IMP_core.IMP_TERSE
152 IMP_VERBOSE = _IMP_core.IMP_VERBOSE
154 IMP_MEMORY = _IMP_core.IMP_MEMORY
156 IMP_NONE = _IMP_core.IMP_NONE
158 IMP_USAGE = _IMP_core.IMP_USAGE
160 IMP_INTERNAL = _IMP_core.IMP_INTERNAL
162 IMP_KERNEL_HAS_LOG4CXX = _IMP_core.IMP_KERNEL_HAS_LOG4CXX
164 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_core.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
166 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_core.IMP_COMPILER_HAS_DEBUG_VECTOR
168 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_core.IMP_COMPILER_HAS_RANDOM_SHUFFLE
170 IMP_COMPILER_HAS_THREE_WAY = _IMP_core.IMP_COMPILER_HAS_THREE_WAY
172 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_core.IMP_KERNEL_HAS_BOOST_RANDOM
174 IMP_KERNEL_HAS_NUMPY = _IMP_core.IMP_KERNEL_HAS_NUMPY
176 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_core.IMP_KERNEL_HAS_BOOST_SYSTEM
178 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_core.IMP_KERNEL_HAS_GPERFTOOLS
180 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_core.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
182 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_core.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
184 IMPKERNEL_SHOW_WARNINGS = _IMP_core.IMPKERNEL_SHOW_WARNINGS
188 class _DirectorObjects:
189 """@internal Simple class to keep references to director objects
190 to prevent premature deletion."""
193 def register(self, obj):
194 """Take a reference to a director object; will only work for
195 refcounted C++ classes"""
196 if hasattr(obj,
'get_ref_count'):
197 self._objects.append(obj)
199 """Only drop our reference and allow cleanup by Python if no other
200 Python references exist (we hold 3 references: one in self._objects,
201 one in x, and one in the argument list for getrefcount) *and* no
202 other C++ references exist (the Python object always holds one)"""
203 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
204 or x.get_ref_count() > 1]
208 def get_object_count(self):
209 """Get number of director objects (useful for testing only)"""
210 return len(self._objects)
211 _director_objects = _DirectorObjects()
213 class _ostream(object):
214 r"""Proxy of C++ std::ostream class."""
216 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
218 def __init__(self, *args, **kwargs):
219 raise AttributeError(
"No constructor defined")
220 __repr__ = _swig_repr
222 def write(self, osa_buf):
223 r"""write(_ostream self, char const * osa_buf)"""
224 return _IMP_core._ostream_write(self, osa_buf)
227 _IMP_core._ostream_swigregister(_ostream)
228 IMP_C_OPEN_BINARY = _IMP_core.IMP_C_OPEN_BINARY
231 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_CGAL_HAS_BOOST_FILESYSTEM
233 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
235 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_core.IMP_CGAL_HAS_BOOST_RANDOM
237 IMP_CGAL_HAS_NUMPY = _IMP_core.IMP_CGAL_HAS_NUMPY
239 IMPCGAL_SHOW_WARNINGS = _IMP_core.IMPCGAL_SHOW_WARNINGS
242 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_core.IMP_ALGEBRA_HAS_IMP_CGAL
244 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
246 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
248 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_core.IMP_ALGEBRA_HAS_BOOST_RANDOM
250 IMP_ALGEBRA_HAS_CGAL = _IMP_core.IMP_ALGEBRA_HAS_CGAL
252 IMP_ALGEBRA_HAS_NUMPY = _IMP_core.IMP_ALGEBRA_HAS_NUMPY
254 IMP_ALGEBRA_HAS_ANN = _IMP_core.IMP_ALGEBRA_HAS_ANN
256 IMPALGEBRA_SHOW_WARNINGS = _IMP_core.IMPALGEBRA_SHOW_WARNINGS
259 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_core.IMP_DISPLAY_HAS_IMP_CGAL
261 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
263 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
265 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_core.IMP_DISPLAY_HAS_BOOST_RANDOM
267 IMP_DISPLAY_HAS_CGAL = _IMP_core.IMP_DISPLAY_HAS_CGAL
269 IMP_DISPLAY_HAS_NUMPY = _IMP_core.IMP_DISPLAY_HAS_NUMPY
271 IMPDISPLAY_SHOW_WARNINGS = _IMP_core.IMPDISPLAY_SHOW_WARNINGS
274 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_core.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
276 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
278 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
280 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_core.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
282 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_core.IMP_SCORE_FUNCTOR_HAS_CGAL
284 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_core.IMP_SCORE_FUNCTOR_HAS_HDF5
286 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_core.IMP_SCORE_FUNCTOR_HAS_NUMPY
288 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_core.IMPSCOREFUNCTOR_SHOW_WARNINGS
291 IMP_CORE_HAS_IMP_CGAL = _IMP_core.IMP_CORE_HAS_IMP_CGAL
293 IMP_CORE_HAS_IMP_KERNEL = _IMP_core.IMP_CORE_HAS_IMP_KERNEL
295 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_CORE_HAS_BOOST_FILESYSTEM
297 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
299 IMP_CORE_HAS_BOOST_RANDOM = _IMP_core.IMP_CORE_HAS_BOOST_RANDOM
301 IMP_CORE_HAS_CGAL = _IMP_core.IMP_CORE_HAS_CGAL
303 IMP_CORE_HAS_HDF5 = _IMP_core.IMP_CORE_HAS_HDF5
305 IMP_CORE_HAS_NUMPY = _IMP_core.IMP_CORE_HAS_NUMPY
307 IMPCORE_SHOW_WARNINGS = _IMP_core.IMPCORE_SHOW_WARNINGS
310 r"""Proxy of C++ IMP::score_functor::ScoreUnaryFunction< IMP::score_functor::OpenCubicSpline > class."""
312 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
313 __repr__ = _swig_repr
315 def __init__(self, *args):
316 r"""__init__(_OpenCubicSplineBase self, IMP::score_functor::OpenCubicSpline const & score, std::string name="UnaryFunction%1%") -> _OpenCubicSplineBase"""
317 _IMP_core._OpenCubicSplineBase_swiginit(self, _IMP_core.new__OpenCubicSplineBase(*args))
319 def get_version_info(self):
320 r"""get_version_info(_OpenCubicSplineBase self) -> VersionInfo"""
321 return _IMP_core._OpenCubicSplineBase_get_version_info(self)
322 __swig_destroy__ = _IMP_core.delete__OpenCubicSplineBase
325 _IMP_core._OpenCubicSplineBase_swigregister(_OpenCubicSplineBase)
327 _object_types.append(
"MonteCarloMover")
330 def _object_cast_to_MonteCarloMover(o):
331 r"""_object_cast_to_MonteCarloMover(Object o) -> MonteCarloMover"""
332 return _IMP_core._object_cast_to_MonteCarloMover(o)
334 MonteCarloMoverResults=list
335 _plural_types.append(
"MonteCarloMoverResults")
336 _value_types.append(
"MonteCarloMoverResult")
339 _object_types.append(
"AngleRestraint")
342 def _object_cast_to_AngleRestraint(o):
343 r"""_object_cast_to_AngleRestraint(Object o) -> AngleRestraint"""
344 return _IMP_core._object_cast_to_AngleRestraint(o)
346 _object_types.append(
"AngleTripletScore")
349 def _object_cast_to_AngleTripletScore(o):
350 r"""_object_cast_to_AngleTripletScore(Object o) -> AngleTripletScore"""
351 return _IMP_core._object_cast_to_AngleTripletScore(o)
353 _object_types.append(
"DihedralQuadScore")
356 def _object_cast_to_DihedralQuadScore(o):
357 r"""_object_cast_to_DihedralQuadScore(Object o) -> DihedralQuadScore"""
358 return _IMP_core._object_cast_to_DihedralQuadScore(o)
360 _object_types.append(
"AttributeSingletonScore")
363 def _object_cast_to_AttributeSingletonScore(o):
364 r"""_object_cast_to_AttributeSingletonScore(Object o) -> AttributeSingletonScore"""
365 return _IMP_core._object_cast_to_AttributeSingletonScore(o)
367 _object_types.append(
"BallMover")
370 def _object_cast_to_BallMover(o):
371 r"""_object_cast_to_BallMover(Object o) -> BallMover"""
372 return _IMP_core._object_cast_to_BallMover(o)
374 _object_types.append(
"SerialMover")
377 def _object_cast_to_SerialMover(o):
378 r"""_object_cast_to_SerialMover(Object o) -> SerialMover"""
379 return _IMP_core._object_cast_to_SerialMover(o)
381 _object_types.append(
"SubsetMover")
384 def _object_cast_to_SubsetMover(o):
385 r"""_object_cast_to_SubsetMover(Object o) -> SubsetMover"""
386 return _IMP_core._object_cast_to_SubsetMover(o)
388 _object_types.append(
"DirectionMover")
391 def _object_cast_to_DirectionMover(o):
392 r"""_object_cast_to_DirectionMover(Object o) -> DirectionMover"""
393 return _IMP_core._object_cast_to_DirectionMover(o)
395 _object_types.append(
"SurfaceMover")
398 def _object_cast_to_SurfaceMover(o):
399 r"""_object_cast_to_SurfaceMover(Object o) -> SurfaceMover"""
400 return _IMP_core._object_cast_to_SurfaceMover(o)
402 _object_types.append(
"BoundingBox3DSingletonScore")
405 def _object_cast_to_BoundingBox3DSingletonScore(o):
406 r"""_object_cast_to_BoundingBox3DSingletonScore(Object o) -> BoundingBox3DSingletonScore"""
407 return _IMP_core._object_cast_to_BoundingBox3DSingletonScore(o)
409 _object_types.append(
"BoundingSphere3DSingletonScore")
412 def _object_cast_to_BoundingSphere3DSingletonScore(o):
413 r"""_object_cast_to_BoundingSphere3DSingletonScore(Object o) -> BoundingSphere3DSingletonScore"""
414 return _IMP_core._object_cast_to_BoundingSphere3DSingletonScore(o)
416 _object_types.append(
"BoxSweepClosePairsFinder")
419 def _object_cast_to_BoxSweepClosePairsFinder(o):
420 r"""_object_cast_to_BoxSweepClosePairsFinder(Object o) -> BoxSweepClosePairsFinder"""
421 return _IMP_core._object_cast_to_BoxSweepClosePairsFinder(o)
423 _object_types.append(
"NearestNeighborsClosePairsFinder")
426 def _object_cast_to_NearestNeighborsClosePairsFinder(o):
427 r"""_object_cast_to_NearestNeighborsClosePairsFinder(Object o) -> NearestNeighborsClosePairsFinder"""
428 return _IMP_core._object_cast_to_NearestNeighborsClosePairsFinder(o)
430 _object_types.append(
"CentroidOfRefined")
433 def _object_cast_to_CentroidOfRefined(o):
434 r"""_object_cast_to_CentroidOfRefined(Object o) -> CentroidOfRefined"""
435 return _IMP_core._object_cast_to_CentroidOfRefined(o)
437 _object_types.append(
"ChecksScoreState")
440 def _object_cast_to_ChecksScoreState(o):
441 r"""_object_cast_to_ChecksScoreState(Object o) -> ChecksScoreState"""
442 return _IMP_core._object_cast_to_ChecksScoreState(o)
444 _object_types.append(
"ChildrenRefiner")
447 def _object_cast_to_ChildrenRefiner(o):
448 r"""_object_cast_to_ChildrenRefiner(Object o) -> ChildrenRefiner"""
449 return _IMP_core._object_cast_to_ChildrenRefiner(o)
451 _object_types.append(
"ClosePairsFinder")
454 def _object_cast_to_ClosePairsFinder(o):
455 r"""_object_cast_to_ClosePairsFinder(Object o) -> ClosePairsFinder"""
456 return _IMP_core._object_cast_to_ClosePairsFinder(o)
458 _object_types.append(
"ClosePairsPairScore")
461 def _object_cast_to_ClosePairsPairScore(o):
462 r"""_object_cast_to_ClosePairsPairScore(Object o) -> ClosePairsPairScore"""
463 return _IMP_core._object_cast_to_ClosePairsPairScore(o)
465 _object_types.append(
"ClosedCubicSpline")
468 def _object_cast_to_ClosedCubicSpline(o):
469 r"""_object_cast_to_ClosedCubicSpline(Object o) -> ClosedCubicSpline"""
470 return _IMP_core._object_cast_to_ClosedCubicSpline(o)
472 _object_types.append(
"ConjugateGradients")
475 def _object_cast_to_ConjugateGradients(o):
476 r"""_object_cast_to_ConjugateGradients(Object o) -> ConjugateGradients"""
477 return _IMP_core._object_cast_to_ConjugateGradients(o)
479 _object_types.append(
"ConnectivityRestraint")
482 def _object_cast_to_ConnectivityRestraint(o):
483 r"""_object_cast_to_ConnectivityRestraint(Object o) -> ConnectivityRestraint"""
484 return _IMP_core._object_cast_to_ConnectivityRestraint(o)
486 _object_types.append(
"ConstantRestraint")
489 def _object_cast_to_ConstantRestraint(o):
490 r"""_object_cast_to_ConstantRestraint(Object o) -> ConstantRestraint"""
491 return _IMP_core._object_cast_to_ConstantRestraint(o)
493 _object_types.append(
"Cosine")
496 def _object_cast_to_Cosine(o):
497 r"""_object_cast_to_Cosine(Object o) -> Cosine"""
498 return _IMP_core._object_cast_to_Cosine(o)
500 _object_types.append(
"CoverRefined")
503 def _object_cast_to_CoverRefined(o):
504 r"""_object_cast_to_CoverRefined(Object o) -> CoverRefined"""
505 return _IMP_core._object_cast_to_CoverRefined(o)
507 _object_types.append(
"DerivativesFromRefined")
510 def _object_cast_to_DerivativesFromRefined(o):
511 r"""_object_cast_to_DerivativesFromRefined(Object o) -> DerivativesFromRefined"""
512 return _IMP_core._object_cast_to_DerivativesFromRefined(o)
514 _object_types.append(
"DerivativesToRefined")
517 def _object_cast_to_DerivativesToRefined(o):
518 r"""_object_cast_to_DerivativesToRefined(Object o) -> DerivativesToRefined"""
519 return _IMP_core._object_cast_to_DerivativesToRefined(o)
521 _object_types.append(
"WeightedDerivativesToRefined")
524 def _object_cast_to_WeightedDerivativesToRefined(o):
525 r"""_object_cast_to_WeightedDerivativesToRefined(Object o) -> IMP::core::WeightedDerivativesToRefined *"""
526 return _IMP_core._object_cast_to_WeightedDerivativesToRefined(o)
528 _object_types.append(
"DiameterRestraint")
531 def _object_cast_to_DiameterRestraint(o):
532 r"""_object_cast_to_DiameterRestraint(Object o) -> DiameterRestraint"""
533 return _IMP_core._object_cast_to_DiameterRestraint(o)
535 _object_types.append(
"DihedralRestraint")
538 def _object_cast_to_DihedralRestraint(o):
539 r"""_object_cast_to_DihedralRestraint(Object o) -> DihedralRestraint"""
540 return _IMP_core._object_cast_to_DihedralRestraint(o)
542 _object_types.append(
"DistanceRestraint")
545 def _object_cast_to_DistanceRestraint(o):
546 r"""_object_cast_to_DistanceRestraint(Object o) -> DistanceRestraint"""
547 return _IMP_core._object_cast_to_DistanceRestraint(o)
549 _object_types.append(
"DistanceToSingletonScore")
552 def _object_cast_to_DistanceToSingletonScore(o):
553 r"""_object_cast_to_DistanceToSingletonScore(Object o) -> DistanceToSingletonScore"""
554 return _IMP_core._object_cast_to_DistanceToSingletonScore(o)
556 _object_types.append(
"ExcludedVolumeRestraint")
559 def _object_cast_to_ExcludedVolumeRestraint(o):
560 r"""_object_cast_to_ExcludedVolumeRestraint(Object o) -> ExcludedVolumeRestraint"""
561 return _IMP_core._object_cast_to_ExcludedVolumeRestraint(o)
563 _object_types.append(
"FixedRefiner")
566 def _object_cast_to_FixedRefiner(o):
567 r"""_object_cast_to_FixedRefiner(Object o) -> FixedRefiner"""
568 return _IMP_core._object_cast_to_FixedRefiner(o)
570 _object_types.append(
"GridClosePairsFinder")
573 def _object_cast_to_GridClosePairsFinder(o):
574 r"""_object_cast_to_GridClosePairsFinder(Object o) -> GridClosePairsFinder"""
575 return _IMP_core._object_cast_to_GridClosePairsFinder(o)
577 _object_types.append(
"Harmonic")
580 def _object_cast_to_Harmonic(o):
581 r"""_object_cast_to_Harmonic(Object o) -> Harmonic"""
582 return _IMP_core._object_cast_to_Harmonic(o)
584 _object_types.append(
"HarmonicWell")
587 def _object_cast_to_HarmonicWell(o):
588 r"""_object_cast_to_HarmonicWell(Object o) -> HarmonicWell"""
589 return _IMP_core._object_cast_to_HarmonicWell(o)
591 _object_types.append(
"HarmonicLowerBound")
594 def _object_cast_to_HarmonicLowerBound(o):
595 r"""_object_cast_to_HarmonicLowerBound(Object o) -> HarmonicLowerBound"""
596 return _IMP_core._object_cast_to_HarmonicLowerBound(o)
598 _object_types.append(
"HarmonicUpperBound")
601 def _object_cast_to_HarmonicUpperBound(o):
602 r"""_object_cast_to_HarmonicUpperBound(Object o) -> HarmonicUpperBound"""
603 return _IMP_core._object_cast_to_HarmonicUpperBound(o)
605 _object_types.append(
"HarmonicSphereDistancePairScore")
608 def _object_cast_to_HarmonicSphereDistancePairScore(o):
609 r"""_object_cast_to_HarmonicSphereDistancePairScore(Object o) -> HarmonicSphereDistancePairScore"""
610 return _IMP_core._object_cast_to_HarmonicSphereDistancePairScore(o)
612 _object_types.append(
"HarmonicUpperBoundSphereDistancePairScore")
615 def _object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o):
616 r"""_object_cast_to_HarmonicUpperBoundSphereDistancePairScore(Object o) -> HarmonicUpperBoundSphereDistancePairScore"""
617 return _IMP_core._object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o)
619 _object_types.append(
"HarmonicUpperBoundSphereDiameterPairScore")
622 def _object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o):
623 r"""_object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(Object o) -> HarmonicUpperBoundSphereDiameterPairScore"""
624 return _IMP_core._object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o)
626 _object_types.append(
"HarmonicSurfaceDistancePairScore")
629 def _object_cast_to_HarmonicSurfaceDistancePairScore(o):
630 r"""_object_cast_to_HarmonicSurfaceDistancePairScore(Object o) -> HarmonicSurfaceDistancePairScore"""
631 return _IMP_core._object_cast_to_HarmonicSurfaceDistancePairScore(o)
633 _object_types.append(
"HarmonicSurfaceHeightPairScore")
636 def _object_cast_to_HarmonicSurfaceHeightPairScore(o):
637 r"""_object_cast_to_HarmonicSurfaceHeightPairScore(Object o) -> HarmonicSurfaceHeightPairScore"""
638 return _IMP_core._object_cast_to_HarmonicSurfaceHeightPairScore(o)
640 _object_types.append(
"HarmonicSurfaceDepthPairScore")
643 def _object_cast_to_HarmonicSurfaceDepthPairScore(o):
644 r"""_object_cast_to_HarmonicSurfaceDepthPairScore(Object o) -> HarmonicSurfaceDepthPairScore"""
645 return _IMP_core._object_cast_to_HarmonicSurfaceDepthPairScore(o)
647 _object_types.append(
"WeightedSum")
650 def _object_cast_to_WeightedSum(o):
651 r"""_object_cast_to_WeightedSum(Object o) -> WeightedSum"""
652 return _IMP_core._object_cast_to_WeightedSum(o)
654 _object_types.append(
"WeightedSumOfExponential")
657 def _object_cast_to_WeightedSumOfExponential(o):
658 r"""_object_cast_to_WeightedSumOfExponential(Object o) -> WeightedSumOfExponential"""
659 return _IMP_core._object_cast_to_WeightedSumOfExponential(o)
661 _object_types.append(
"KClosePairsPairScore")
664 def _object_cast_to_KClosePairsPairScore(o):
665 r"""_object_cast_to_KClosePairsPairScore(Object o) -> KClosePairsPairScore"""
666 return _IMP_core._object_cast_to_KClosePairsPairScore(o)
668 _object_types.append(
"LeavesRefiner")
671 def _object_cast_to_LeavesRefiner(o):
672 r"""_object_cast_to_LeavesRefiner(Object o) -> LeavesRefiner"""
673 return _IMP_core._object_cast_to_LeavesRefiner(o)
675 _object_types.append(
"Linear")
678 def _object_cast_to_Linear(o):
679 r"""_object_cast_to_Linear(Object o) -> Linear"""
680 return _IMP_core._object_cast_to_Linear(o)
682 _object_types.append(
"LogNormalMover")
685 def _object_cast_to_LogNormalMover(o):
686 r"""_object_cast_to_LogNormalMover(Object o) -> LogNormalMover"""
687 return _IMP_core._object_cast_to_LogNormalMover(o)
689 _object_types.append(
"MCCGSampler")
692 def _object_cast_to_MCCGSampler(o):
693 r"""_object_cast_to_MCCGSampler(Object o) -> MCCGSampler"""
694 return _IMP_core._object_cast_to_MCCGSampler(o)
696 _object_types.append(
"MonteCarlo")
699 def _object_cast_to_MonteCarlo(o):
700 r"""_object_cast_to_MonteCarlo(Object o) -> MonteCarlo"""
701 return _IMP_core._object_cast_to_MonteCarlo(o)
703 _object_types.append(
"MonteCarloWithLocalOptimization")
706 def _object_cast_to_MonteCarloWithLocalOptimization(o):
707 r"""_object_cast_to_MonteCarloWithLocalOptimization(Object o) -> MonteCarloWithLocalOptimization"""
708 return _IMP_core._object_cast_to_MonteCarloWithLocalOptimization(o)
710 _object_types.append(
"MonteCarloWithBasinHopping")
713 def _object_cast_to_MonteCarloWithBasinHopping(o):
714 r"""_object_cast_to_MonteCarloWithBasinHopping(Object o) -> MonteCarloWithBasinHopping"""
715 return _IMP_core._object_cast_to_MonteCarloWithBasinHopping(o)
717 _object_types.append(
"MSConnectivityRestraint")
720 def _object_cast_to_MSConnectivityRestraint(o):
721 r"""_object_cast_to_MSConnectivityRestraint(Object o) -> MSConnectivityRestraint"""
722 return _IMP_core._object_cast_to_MSConnectivityRestraint(o)
724 _object_types.append(
"NeighborsTable")
727 def _object_cast_to_NeighborsTable(o):
728 r"""_object_cast_to_NeighborsTable(Object o) -> NeighborsTable"""
729 return _IMP_core._object_cast_to_NeighborsTable(o)
731 _object_types.append(
"NormalMover")
734 def _object_cast_to_NormalMover(o):
735 r"""_object_cast_to_NormalMover(Object o) -> NormalMover"""
736 return _IMP_core._object_cast_to_NormalMover(o)
738 _object_types.append(
"NormalizedSphereDistancePairScore")
741 def _object_cast_to_NormalizedSphereDistancePairScore(o):
742 r"""_object_cast_to_NormalizedSphereDistancePairScore(Object o) -> NormalizedSphereDistancePairScore"""
743 return _IMP_core._object_cast_to_NormalizedSphereDistancePairScore(o)
745 _object_types.append(
"OpenCubicSpline")
748 def _object_cast_to_OpenCubicSpline(o):
749 r"""_object_cast_to_OpenCubicSpline(Object o) -> OpenCubicSpline"""
750 return _IMP_core._object_cast_to_OpenCubicSpline(o)
752 _object_types.append(
"PairConstraint")
755 def _object_cast_to_PairConstraint(o):
756 r"""_object_cast_to_PairConstraint(Object o) -> PairConstraint"""
757 return _IMP_core._object_cast_to_PairConstraint(o)
759 _object_types.append(
"PairRestraint")
762 def _object_cast_to_PairRestraint(o):
763 r"""_object_cast_to_PairRestraint(Object o) -> PairRestraint"""
764 return _IMP_core._object_cast_to_PairRestraint(o)
766 _object_types.append(
"QuadConstraint")
769 def _object_cast_to_QuadConstraint(o):
770 r"""_object_cast_to_QuadConstraint(Object o) -> QuadConstraint"""
771 return _IMP_core._object_cast_to_QuadConstraint(o)
773 _object_types.append(
"QuadRestraint")
776 def _object_cast_to_QuadRestraint(o):
777 r"""_object_cast_to_QuadRestraint(Object o) -> QuadRestraint"""
778 return _IMP_core._object_cast_to_QuadRestraint(o)
780 _object_types.append(
"QuadraticClosePairsFinder")
783 def _object_cast_to_QuadraticClosePairsFinder(o):
784 r"""_object_cast_to_QuadraticClosePairsFinder(Object o) -> QuadraticClosePairsFinder"""
785 return _IMP_core._object_cast_to_QuadraticClosePairsFinder(o)
787 _object_types.append(
"RefinedPairsPairScore")
790 def _object_cast_to_RefinedPairsPairScore(o):
791 r"""_object_cast_to_RefinedPairsPairScore(Object o) -> RefinedPairsPairScore"""
792 return _IMP_core._object_cast_to_RefinedPairsPairScore(o)
794 _object_types.append(
"RestraintsScoringFunction")
797 def _object_cast_to_RestraintsScoringFunction(o):
798 r"""_object_cast_to_RestraintsScoringFunction(Object o) -> RestraintsScoringFunction"""
799 return _IMP_core._object_cast_to_RestraintsScoringFunction(o)
801 _object_types.append(
"RigidBodyDistancePairScore")
804 def _object_cast_to_RigidBodyDistancePairScore(o):
805 r"""_object_cast_to_RigidBodyDistancePairScore(Object o) -> RigidBodyDistancePairScore"""
806 return _IMP_core._object_cast_to_RigidBodyDistancePairScore(o)
808 _object_types.append(
"RigidBodyAnglePairScore")
811 def _object_cast_to_RigidBodyAnglePairScore(o):
812 r"""_object_cast_to_RigidBodyAnglePairScore(Object o) -> RigidBodyAnglePairScore"""
813 return _IMP_core._object_cast_to_RigidBodyAnglePairScore(o)
815 _object_types.append(
"RigidBodyMover")
818 def _object_cast_to_RigidBodyMover(o):
819 r"""_object_cast_to_RigidBodyMover(Object o) -> RigidBodyMover"""
820 return _IMP_core._object_cast_to_RigidBodyMover(o)
822 _object_types.append(
"RigidBodyTunneler")
825 def _object_cast_to_RigidBodyTunneler(o):
826 r"""_object_cast_to_RigidBodyTunneler(Object o) -> RigidBodyTunneler"""
827 return _IMP_core._object_cast_to_RigidBodyTunneler(o)
829 _object_types.append(
"RigidBodyUmbrella")
832 def _object_cast_to_RigidBodyUmbrella(o):
833 r"""_object_cast_to_RigidBodyUmbrella(Object o) -> RigidBodyUmbrella"""
834 return _IMP_core._object_cast_to_RigidBodyUmbrella(o)
836 _object_types.append(
"_UpdateRigidBodyMembers")
839 def _object_cast_to__UpdateRigidBodyMembers(o):
840 r"""_object_cast_to__UpdateRigidBodyMembers(Object o) -> _UpdateRigidBodyMembers"""
841 return _IMP_core._object_cast_to__UpdateRigidBodyMembers(o)
843 _object_types.append(
"_AccumulateRigidBodyDerivatives")
846 def _object_cast_to__AccumulateRigidBodyDerivatives(o):
847 r"""_object_cast_to__AccumulateRigidBodyDerivatives(Object o) -> _AccumulateRigidBodyDerivatives"""
848 return _IMP_core._object_cast_to__AccumulateRigidBodyDerivatives(o)
850 _object_types.append(
"_RigidBodyNormalizeConstraint")
853 def _object_cast_to__RigidBodyNormalizeConstraint(o):
854 r"""_object_cast_to__RigidBodyNormalizeConstraint(Object o) -> _RigidBodyNormalizeConstraint"""
855 return _IMP_core._object_cast_to__RigidBodyNormalizeConstraint(o)
857 _object_types.append(
"_NormalizeRotation")
860 def _object_cast_to__NormalizeRotation(o):
861 r"""_object_cast_to__NormalizeRotation(Object o) -> _NormalizeRotation"""
862 return _IMP_core._object_cast_to__NormalizeRotation(o)
864 _object_types.append(
"_RigidBodyPositionConstraint")
867 def _object_cast_to__RigidBodyPositionConstraint(o):
868 r"""_object_cast_to__RigidBodyPositionConstraint(Object o) -> _RigidBodyPositionConstraint"""
869 return _IMP_core._object_cast_to__RigidBodyPositionConstraint(o)
871 _object_types.append(
"RigidClosePairsFinder")
874 def _object_cast_to_RigidClosePairsFinder(o):
875 r"""_object_cast_to_RigidClosePairsFinder(Object o) -> RigidClosePairsFinder"""
876 return _IMP_core._object_cast_to_RigidClosePairsFinder(o)
878 _object_types.append(
"RigidMembersRefiner")
881 def _object_cast_to_RigidMembersRefiner(o):
882 r"""_object_cast_to_RigidMembersRefiner(Object o) -> RigidMembersRefiner"""
883 return _IMP_core._object_cast_to_RigidMembersRefiner(o)
885 _object_types.append(
"SingletonConstraint")
888 def _object_cast_to_SingletonConstraint(o):
889 r"""_object_cast_to_SingletonConstraint(Object o) -> SingletonConstraint"""
890 return _IMP_core._object_cast_to_SingletonConstraint(o)
892 _object_types.append(
"SingletonRestraint")
895 def _object_cast_to_SingletonRestraint(o):
896 r"""_object_cast_to_SingletonRestraint(Object o) -> SingletonRestraint"""
897 return _IMP_core._object_cast_to_SingletonRestraint(o)
899 _object_types.append(
"SoftSpherePairScore")
902 def _object_cast_to_SoftSpherePairScore(o):
903 r"""_object_cast_to_SoftSpherePairScore(Object o) -> SoftSpherePairScore"""
904 return _IMP_core._object_cast_to_SoftSpherePairScore(o)
906 _object_types.append(
"_SphereDistancePairScore")
909 def _object_cast_to__SphereDistancePairScore(o):
910 r"""_object_cast_to__SphereDistancePairScore(Object o) -> _SphereDistancePairScore"""
911 return _IMP_core._object_cast_to__SphereDistancePairScore(o)
913 _object_types.append(
"SphereDistanceToSingletonScore")
916 def _object_cast_to_SphereDistanceToSingletonScore(o):
917 r"""_object_cast_to_SphereDistanceToSingletonScore(Object o) -> SphereDistanceToSingletonScore"""
918 return _IMP_core._object_cast_to_SphereDistanceToSingletonScore(o)
920 _object_types.append(
"SoftSubSurfacePairScore")
923 def _object_cast_to_SoftSubSurfacePairScore(o):
924 r"""_object_cast_to_SoftSubSurfacePairScore(Object o) -> SoftSubSurfacePairScore"""
925 return _IMP_core._object_cast_to_SoftSubSurfacePairScore(o)
927 _object_types.append(
"SoftSuperSurfacePairScore")
930 def _object_cast_to_SoftSuperSurfacePairScore(o):
931 r"""_object_cast_to_SoftSuperSurfacePairScore(Object o) -> SoftSuperSurfacePairScore"""
932 return _IMP_core._object_cast_to_SoftSuperSurfacePairScore(o)
934 _object_types.append(
"SurfaceDistancePairScore")
937 def _object_cast_to_SurfaceDistancePairScore(o):
938 r"""_object_cast_to_SurfaceDistancePairScore(Object o) -> SurfaceDistancePairScore"""
939 return _IMP_core._object_cast_to_SurfaceDistancePairScore(o)
941 _object_types.append(
"SurfaceHeightPairScore")
944 def _object_cast_to_SurfaceHeightPairScore(o):
945 r"""_object_cast_to_SurfaceHeightPairScore(Object o) -> SurfaceHeightPairScore"""
946 return _IMP_core._object_cast_to_SurfaceHeightPairScore(o)
948 _object_types.append(
"SurfaceDepthPairScore")
951 def _object_cast_to_SurfaceDepthPairScore(o):
952 r"""_object_cast_to_SurfaceDepthPairScore(Object o) -> SurfaceDepthPairScore"""
953 return _IMP_core._object_cast_to_SurfaceDepthPairScore(o)
955 _object_types.append(
"SurfaceTetheredChain")
958 def _object_cast_to_SurfaceTetheredChain(o):
959 r"""_object_cast_to_SurfaceTetheredChain(Object o) -> SurfaceTetheredChain"""
960 return _IMP_core._object_cast_to_SurfaceTetheredChain(o)
962 _object_types.append(
"SurfaceSymmetryConstraint")
965 def _object_cast_to_SurfaceSymmetryConstraint(o):
966 r"""_object_cast_to_SurfaceSymmetryConstraint(Object o) -> SurfaceSymmetryConstraint"""
967 return _IMP_core._object_cast_to_SurfaceSymmetryConstraint(o)
969 _object_types.append(
"SteepestDescent")
972 def _object_cast_to_SteepestDescent(o):
973 r"""_object_cast_to_SteepestDescent(Object o) -> SteepestDescent"""
974 return _IMP_core._object_cast_to_SteepestDescent(o)
976 _object_types.append(
"TableRefiner")
979 def _object_cast_to_TableRefiner(o):
980 r"""_object_cast_to_TableRefiner(Object o) -> TableRefiner"""
981 return _IMP_core._object_cast_to_TableRefiner(o)
983 _object_types.append(
"Transform")
986 def _object_cast_to_Transform(o):
987 r"""_object_cast_to_Transform(Object o) -> Transform"""
988 return _IMP_core._object_cast_to_Transform(o)
990 _object_types.append(
"TransformationAndReflectionSymmetry")
993 def _object_cast_to_TransformationAndReflectionSymmetry(o):
994 r"""_object_cast_to_TransformationAndReflectionSymmetry(Object o) -> TransformationAndReflectionSymmetry"""
995 return _IMP_core._object_cast_to_TransformationAndReflectionSymmetry(o)
997 _object_types.append(
"TransformationSymmetry")
1000 def _object_cast_to_TransformationSymmetry(o):
1001 r"""_object_cast_to_TransformationSymmetry(Object o) -> TransformationSymmetry"""
1002 return _IMP_core._object_cast_to_TransformationSymmetry(o)
1004 _object_types.append(
"TransformationSymmetryMover")
1007 def _object_cast_to_TransformationSymmetryMover(o):
1008 r"""_object_cast_to_TransformationSymmetryMover(Object o) -> TransformationSymmetryMover"""
1009 return _IMP_core._object_cast_to_TransformationSymmetryMover(o)
1011 _object_types.append(
"TransformedDistancePairScore")
1014 def _object_cast_to_TransformedDistancePairScore(o):
1015 r"""_object_cast_to_TransformedDistancePairScore(Object o) -> TransformedDistancePairScore"""
1016 return _IMP_core._object_cast_to_TransformedDistancePairScore(o)
1018 _object_types.append(
"TripletConstraint")
1021 def _object_cast_to_TripletConstraint(o):
1022 r"""_object_cast_to_TripletConstraint(Object o) -> TripletConstraint"""
1023 return _IMP_core._object_cast_to_TripletConstraint(o)
1025 _object_types.append(
"TripletRestraint")
1028 def _object_cast_to_TripletRestraint(o):
1029 r"""_object_cast_to_TripletRestraint(Object o) -> TripletRestraint"""
1030 return _IMP_core._object_cast_to_TripletRestraint(o)
1032 _object_types.append(
"TypedPairScore")
1035 def _object_cast_to_TypedPairScore(o):
1036 r"""_object_cast_to_TypedPairScore(Object o) -> TypedPairScore"""
1037 return _IMP_core._object_cast_to_TypedPairScore(o)
1039 _object_types.append(
"VolumeRestraint")
1042 def _object_cast_to_VolumeRestraint(o):
1043 r"""_object_cast_to_VolumeRestraint(Object o) -> VolumeRestraint"""
1044 return _IMP_core._object_cast_to_VolumeRestraint(o)
1046 _object_types.append(
"WeightedSphereDistancePairScore")
1049 def _object_cast_to_WeightedSphereDistancePairScore(o):
1050 r"""_object_cast_to_WeightedSphereDistancePairScore(Object o) -> WeightedSphereDistancePairScore"""
1051 return _IMP_core._object_cast_to_WeightedSphereDistancePairScore(o)
1053 _object_types.append(
"MoveStatisticsScoreState")
1056 def _object_cast_to_MoveStatisticsScoreState(o):
1057 r"""_object_cast_to_MoveStatisticsScoreState(Object o) -> MoveStatisticsScoreState"""
1058 return _IMP_core._object_cast_to_MoveStatisticsScoreState(o)
1060 _object_types.append(
"MinimumRestraint")
1063 def _object_cast_to_MinimumRestraint(o):
1064 r"""_object_cast_to_MinimumRestraint(Object o) -> MinimumRestraint"""
1065 return _IMP_core._object_cast_to_MinimumRestraint(o)
1067 _object_types.append(
"WriteRestraintScoresOptimizerState")
1070 def _object_cast_to_WriteRestraintScoresOptimizerState(o):
1071 r"""_object_cast_to_WriteRestraintScoresOptimizerState(Object o) -> WriteRestraintScoresOptimizerState"""
1072 return _IMP_core._object_cast_to_WriteRestraintScoresOptimizerState(o)
1074 _object_types.append(
"LateralSurfaceConstraint")
1077 def _object_cast_to_LateralSurfaceConstraint(o):
1078 r"""_object_cast_to_LateralSurfaceConstraint(Object o) -> LateralSurfaceConstraint"""
1079 return _IMP_core._object_cast_to_LateralSurfaceConstraint(o)
1081 _object_types.append(
"ConstantSingletonPredicate")
1084 def _object_cast_to_ConstantSingletonPredicate(o):
1085 r"""_object_cast_to_ConstantSingletonPredicate(Object o) -> ConstantSingletonPredicate"""
1086 return _IMP_core._object_cast_to_ConstantSingletonPredicate(o)
1088 _object_types.append(
"ConstantPairPredicate")
1091 def _object_cast_to_ConstantPairPredicate(o):
1092 r"""_object_cast_to_ConstantPairPredicate(Object o) -> ConstantPairPredicate"""
1093 return _IMP_core._object_cast_to_ConstantPairPredicate(o)
1095 _object_types.append(
"ConstantTripletPredicate")
1098 def _object_cast_to_ConstantTripletPredicate(o):
1099 r"""_object_cast_to_ConstantTripletPredicate(Object o) -> ConstantTripletPredicate"""
1100 return _IMP_core._object_cast_to_ConstantTripletPredicate(o)
1102 _object_types.append(
"ConstantQuadPredicate")
1105 def _object_cast_to_ConstantQuadPredicate(o):
1106 r"""_object_cast_to_ConstantQuadPredicate(Object o) -> ConstantQuadPredicate"""
1107 return _IMP_core._object_cast_to_ConstantQuadPredicate(o)
1109 _object_types.append(
"CoinFlipSingletonPredicate")
1112 def _object_cast_to_CoinFlipSingletonPredicate(o):
1113 r"""_object_cast_to_CoinFlipSingletonPredicate(Object o) -> CoinFlipSingletonPredicate"""
1114 return _IMP_core._object_cast_to_CoinFlipSingletonPredicate(o)
1116 _object_types.append(
"CoinFlipPairPredicate")
1119 def _object_cast_to_CoinFlipPairPredicate(o):
1120 r"""_object_cast_to_CoinFlipPairPredicate(Object o) -> CoinFlipPairPredicate"""
1121 return _IMP_core._object_cast_to_CoinFlipPairPredicate(o)
1123 _object_types.append(
"CoinFlipTripletPredicate")
1126 def _object_cast_to_CoinFlipTripletPredicate(o):
1127 r"""_object_cast_to_CoinFlipTripletPredicate(Object o) -> CoinFlipTripletPredicate"""
1128 return _IMP_core._object_cast_to_CoinFlipTripletPredicate(o)
1130 _object_types.append(
"CoinFlipQuadPredicate")
1133 def _object_cast_to_CoinFlipQuadPredicate(o):
1134 r"""_object_cast_to_CoinFlipQuadPredicate(Object o) -> CoinFlipQuadPredicate"""
1135 return _IMP_core._object_cast_to_CoinFlipQuadPredicate(o)
1137 _object_types.append(
"UnorderedTypeSingletonPredicate")
1140 def _object_cast_to_UnorderedTypeSingletonPredicate(o):
1141 r"""_object_cast_to_UnorderedTypeSingletonPredicate(Object o) -> UnorderedTypeSingletonPredicate"""
1142 return _IMP_core._object_cast_to_UnorderedTypeSingletonPredicate(o)
1144 _object_types.append(
"UnorderedTypePairPredicate")
1147 def _object_cast_to_UnorderedTypePairPredicate(o):
1148 r"""_object_cast_to_UnorderedTypePairPredicate(Object o) -> UnorderedTypePairPredicate"""
1149 return _IMP_core._object_cast_to_UnorderedTypePairPredicate(o)
1151 _object_types.append(
"UnorderedTypeTripletPredicate")
1154 def _object_cast_to_UnorderedTypeTripletPredicate(o):
1155 r"""_object_cast_to_UnorderedTypeTripletPredicate(Object o) -> UnorderedTypeTripletPredicate"""
1156 return _IMP_core._object_cast_to_UnorderedTypeTripletPredicate(o)
1158 _object_types.append(
"UnorderedTypeQuadPredicate")
1161 def _object_cast_to_UnorderedTypeQuadPredicate(o):
1162 r"""_object_cast_to_UnorderedTypeQuadPredicate(Object o) -> UnorderedTypeQuadPredicate"""
1163 return _IMP_core._object_cast_to_UnorderedTypeQuadPredicate(o)
1165 _object_types.append(
"OrderedTypeSingletonPredicate")
1168 def _object_cast_to_OrderedTypeSingletonPredicate(o):
1169 r"""_object_cast_to_OrderedTypeSingletonPredicate(Object o) -> OrderedTypeSingletonPredicate"""
1170 return _IMP_core._object_cast_to_OrderedTypeSingletonPredicate(o)
1172 _object_types.append(
"OrderedTypePairPredicate")
1175 def _object_cast_to_OrderedTypePairPredicate(o):
1176 r"""_object_cast_to_OrderedTypePairPredicate(Object o) -> OrderedTypePairPredicate"""
1177 return _IMP_core._object_cast_to_OrderedTypePairPredicate(o)
1179 _object_types.append(
"OrderedTypeTripletPredicate")
1182 def _object_cast_to_OrderedTypeTripletPredicate(o):
1183 r"""_object_cast_to_OrderedTypeTripletPredicate(Object o) -> OrderedTypeTripletPredicate"""
1184 return _IMP_core._object_cast_to_OrderedTypeTripletPredicate(o)
1186 _object_types.append(
"OrderedTypeQuadPredicate")
1189 def _object_cast_to_OrderedTypeQuadPredicate(o):
1190 r"""_object_cast_to_OrderedTypeQuadPredicate(Object o) -> OrderedTypeQuadPredicate"""
1191 return _IMP_core._object_cast_to_OrderedTypeQuadPredicate(o)
1193 _object_types.append(
"AllSameSingletonPredicate")
1196 def _object_cast_to_AllSameSingletonPredicate(o):
1197 r"""_object_cast_to_AllSameSingletonPredicate(Object o) -> AllSameSingletonPredicate"""
1198 return _IMP_core._object_cast_to_AllSameSingletonPredicate(o)
1200 _object_types.append(
"AllSamePairPredicate")
1203 def _object_cast_to_AllSamePairPredicate(o):
1204 r"""_object_cast_to_AllSamePairPredicate(Object o) -> AllSamePairPredicate"""
1205 return _IMP_core._object_cast_to_AllSamePairPredicate(o)
1207 _object_types.append(
"AllSameTripletPredicate")
1210 def _object_cast_to_AllSameTripletPredicate(o):
1211 r"""_object_cast_to_AllSameTripletPredicate(Object o) -> AllSameTripletPredicate"""
1212 return _IMP_core._object_cast_to_AllSameTripletPredicate(o)
1214 _object_types.append(
"AllSameQuadPredicate")
1217 def _object_cast_to_AllSameQuadPredicate(o):
1218 r"""_object_cast_to_AllSameQuadPredicate(Object o) -> AllSameQuadPredicate"""
1219 return _IMP_core._object_cast_to_AllSameQuadPredicate(o)
1222 return [XYZ(x)
for x
in l]
1223 _plural_types.append(
"XYZs")
1226 _value_types.append(
"XYZ")
1230 return [XYZR(x)
for x
in l]
1231 _plural_types.append(
"XYZRs")
1234 _value_types.append(
"XYZR")
1237 def RigidBodies(l=[]):
1238 return [RigidBody(x)
for x
in l]
1239 _plural_types.append(
"RigidBodies")
1242 _value_types.append(
"RigidBody")
1245 def RigidBodyMembers(l=[]):
1246 return [RigidBodyMember(x)
for x
in l]
1247 _plural_types.append(
"RigidBodyMembers")
1250 _value_types.append(
"RigidBodyMember")
1253 def RigidMembers(l=[]):
1254 return [RigidMember(x)
for x
in l]
1255 _plural_types.append(
"RigidMembers")
1258 _value_types.append(
"RigidMember")
1261 def NonRigidMembers(l=[]):
1262 return [NonRigidMember(x)
for x
in l]
1263 _plural_types.append(
"NonRigidMembers")
1266 _value_types.append(
"NonRigidMember")
1269 def Centroids(l=[]):
1270 return [Centroid(x)
for x
in l]
1271 _plural_types.append(
"Centroids")
1274 _value_types.append(
"Centroid")
1278 return [Cover(x)
for x
in l]
1279 _plural_types.append(
"Covers")
1282 _value_types.append(
"Cover")
1285 def References(l=[]):
1286 return [Reference(x)
for x
in l]
1287 _plural_types.append(
"References")
1290 _value_types.append(
"Reference")
1294 _plural_types.append(
"ParticleTypes")
1295 _value_types.append(
"ParticleType")
1299 return [Typed(x)
for x
in l]
1300 _plural_types.append(
"Typeds")
1303 _value_types.append(
"Typed")
1306 def GenericHierarchies(l=[]):
1307 return [Hierarchy(x)
for x
in l]
1308 _plural_types.append(
"GenericHierarchies")
1311 _value_types.append(
"Hierarchy")
1314 def Gaussians(l=[]):
1315 return [Gaussian(x)
for x
in l]
1316 _plural_types.append(
"Gaussians")
1319 _value_types.append(
"Gaussian")
1322 def Directions(l=[]):
1323 return [Direction(x)
for x
in l]
1324 _plural_types.append(
"Directions")
1327 _value_types.append(
"Direction")
1330 def DirectionAngles(l=[]):
1331 return [DirectionAngle(x)
for x
in l]
1332 _plural_types.append(
"DirectionAngles")
1335 _value_types.append(
"DirectionAngle")
1339 return [Surface(x)
for x
in l]
1340 _plural_types.append(
"Surfaces")
1343 _value_types.append(
"Surface")
1346 def Provenances(l=[]):
1347 return [Provenance(x)
for x
in l]
1348 _plural_types.append(
"Provenances")
1351 _value_types.append(
"Provenance")
1354 def StructureProvenances(l=[]):
1355 return [StructureProvenance(x)
for x
in l]
1356 _plural_types.append(
"StructureProvenances")
1359 _value_types.append(
"StructureProvenance")
1362 def SampleProvenances(l=[]):
1363 return [SampleProvenance(x)
for x
in l]
1364 _plural_types.append(
"SampleProvenances")
1367 _value_types.append(
"SampleProvenance")
1370 def ClusterProvenances(l=[]):
1371 return [ClusterProvenance(x)
for x
in l]
1372 _plural_types.append(
"ClusterProvenances")
1375 _value_types.append(
"ClusterProvenance")
1378 def CombineProvenances(l=[]):
1379 return [CombineProvenance(x)
for x
in l]
1380 _plural_types.append(
"CombineProvenances")
1383 _value_types.append(
"CombineProvenance")
1386 def FilterProvenances(l=[]):
1387 return [FilterProvenance(x)
for x
in l]
1388 _plural_types.append(
"FilterProvenances")
1391 _value_types.append(
"FilterProvenance")
1394 def ScriptProvenances(l=[]):
1395 return [ScriptProvenance(x)
for x
in l]
1396 _plural_types.append(
"ScriptProvenances")
1399 _value_types.append(
"ScriptProvenance")
1402 def SoftwareProvenances(l=[]):
1403 return [SoftwareProvenance(x)
for x
in l]
1404 _plural_types.append(
"SoftwareProvenances")
1407 _value_types.append(
"SoftwareProvenance")
1410 def Provenanceds(l=[]):
1411 return [Provenanced(x)
for x
in l]
1412 _plural_types.append(
"Provenanceds")
1415 _value_types.append(
"Provenanced")
1418 HierarchyCounters=list
1419 _plural_types.append(
"HierarchyCounters")
1420 _value_types.append(
"HierarchyCounter")
1423 HierarchyTraitsList=list
1424 _plural_types.append(
"HierarchyTraitsList")
1425 _value_types.append(
"HierarchyTraits")
1428 _object_types.append(
"TruncatedHarmonicBound")
1431 def _object_cast_to_TruncatedHarmonicBound(o):
1432 r"""_object_cast_to_TruncatedHarmonicBound(Object o) -> TruncatedHarmonicBound"""
1433 return _IMP_core._object_cast_to_TruncatedHarmonicBound(o)
1435 _object_types.append(
"TruncatedHarmonicLowerBound")
1438 def _object_cast_to_TruncatedHarmonicLowerBound(o):
1439 r"""_object_cast_to_TruncatedHarmonicLowerBound(Object o) -> TruncatedHarmonicLowerBound"""
1440 return _IMP_core._object_cast_to_TruncatedHarmonicLowerBound(o)
1442 _object_types.append(
"TruncatedHarmonicUpperBound")
1445 def _object_cast_to_TruncatedHarmonicUpperBound(o):
1446 r"""_object_cast_to_TruncatedHarmonicUpperBound(Object o) -> TruncatedHarmonicUpperBound"""
1447 return _IMP_core._object_cast_to_TruncatedHarmonicUpperBound(o)
1449 _object_types.append(
"HarmonicDistancePairScore")
1452 def _object_cast_to_HarmonicDistancePairScore(o):
1453 r"""_object_cast_to_HarmonicDistancePairScore(Object o) -> HarmonicDistancePairScore"""
1454 return _IMP_core._object_cast_to_HarmonicDistancePairScore(o)
1456 _object_types.append(
"DistancePairScore")
1459 def _object_cast_to_DistancePairScore(o):
1460 r"""_object_cast_to_DistancePairScore(Object o) -> DistancePairScore"""
1461 return _IMP_core._object_cast_to_DistancePairScore(o)
1463 _object_types.append(
"XYZRGeometry")
1466 def _object_cast_to_XYZRGeometry(o):
1467 r"""_object_cast_to_XYZRGeometry(Object o) -> XYZRGeometry"""
1468 return _IMP_core._object_cast_to_XYZRGeometry(o)
1470 _object_types.append(
"XYZRsGeometry")
1473 def _object_cast_to_XYZRsGeometry(o):
1474 r"""_object_cast_to_XYZRsGeometry(Object o) -> XYZRsGeometry"""
1475 return _IMP_core._object_cast_to_XYZRsGeometry(o)
1477 _object_types.append(
"XYZDerivativeGeometry")
1480 def _object_cast_to_XYZDerivativeGeometry(o):
1481 r"""_object_cast_to_XYZDerivativeGeometry(Object o) -> XYZDerivativeGeometry"""
1482 return _IMP_core._object_cast_to_XYZDerivativeGeometry(o)
1484 _object_types.append(
"XYZDerivativesGeometry")
1487 def _object_cast_to_XYZDerivativesGeometry(o):
1488 r"""_object_cast_to_XYZDerivativesGeometry(Object o) -> XYZDerivativesGeometry"""
1489 return _IMP_core._object_cast_to_XYZDerivativesGeometry(o)
1491 _object_types.append(
"RigidBodyDerivativeGeometry")
1494 def _object_cast_to_RigidBodyDerivativeGeometry(o):
1495 r"""_object_cast_to_RigidBodyDerivativeGeometry(Object o) -> RigidBodyDerivativeGeometry"""
1496 return _IMP_core._object_cast_to_RigidBodyDerivativeGeometry(o)
1498 _object_types.append(
"RigidBodyDerivativesGeometry")
1501 def _object_cast_to_RigidBodyDerivativesGeometry(o):
1502 r"""_object_cast_to_RigidBodyDerivativesGeometry(Object o) -> RigidBodyDerivativesGeometry"""
1503 return _IMP_core._object_cast_to_RigidBodyDerivativesGeometry(o)
1505 _object_types.append(
"RigidBodyHierarchyGeometry")
1508 def _object_cast_to_RigidBodyHierarchyGeometry(o):
1509 r"""_object_cast_to_RigidBodyHierarchyGeometry(Object o) -> RigidBodyHierarchyGeometry"""
1510 return _IMP_core._object_cast_to_RigidBodyHierarchyGeometry(o)
1512 _object_types.append(
"RigidBodyFrameGeometry")
1515 def _object_cast_to_RigidBodyFrameGeometry(o):
1516 r"""_object_cast_to_RigidBodyFrameGeometry(Object o) -> RigidBodyFrameGeometry"""
1517 return _IMP_core._object_cast_to_RigidBodyFrameGeometry(o)
1519 _object_types.append(
"RigidBodyFramesGeometry")
1522 def _object_cast_to_RigidBodyFramesGeometry(o):
1523 r"""_object_cast_to_RigidBodyFramesGeometry(Object o) -> RigidBodyFramesGeometry"""
1524 return _IMP_core._object_cast_to_RigidBodyFramesGeometry(o)
1526 _object_types.append(
"RigidBodyTorque")
1529 def _object_cast_to_RigidBodyTorque(o):
1530 r"""_object_cast_to_RigidBodyTorque(Object o) -> RigidBodyTorque"""
1531 return _IMP_core._object_cast_to_RigidBodyTorque(o)
1533 _object_types.append(
"EdgePairGeometry")
1536 def _object_cast_to_EdgePairGeometry(o):
1537 r"""_object_cast_to_EdgePairGeometry(Object o) -> EdgePairGeometry"""
1538 return _IMP_core._object_cast_to_EdgePairGeometry(o)
1540 _object_types.append(
"EdgePairsGeometry")
1543 def _object_cast_to_EdgePairsGeometry(o):
1544 r"""_object_cast_to_EdgePairsGeometry(Object o) -> EdgePairsGeometry"""
1545 return _IMP_core._object_cast_to_EdgePairsGeometry(o)
1547 _object_types.append(
"SurfaceGeometry")
1550 def _object_cast_to_SurfaceGeometry(o):
1551 r"""_object_cast_to_SurfaceGeometry(Object o) -> SurfaceGeometry"""
1552 return _IMP_core._object_cast_to_SurfaceGeometry(o)
1554 _object_types.append(
"SurfaceGeometryConstraint")
1557 def _object_cast_to_SurfaceGeometryConstraint(o):
1558 r"""_object_cast_to_SurfaceGeometryConstraint(Object o) -> SurfaceGeometryConstraint"""
1559 return _IMP_core._object_cast_to_SurfaceGeometryConstraint(o)
1561 _object_types.append(
"AttributeSingletonPredicate")
1564 def _object_cast_to_AttributeSingletonPredicate(o):
1565 r"""_object_cast_to_AttributeSingletonPredicate(Object o) -> AttributeSingletonPredicate"""
1566 return _IMP_core._object_cast_to_AttributeSingletonPredicate(o)
1568 _object_types.append(
"InBoundingBox3DSingletonPredicate")
1571 def _object_cast_to_InBoundingBox3DSingletonPredicate(o):
1572 r"""_object_cast_to_InBoundingBox3DSingletonPredicate(Object o) -> InBoundingBox3DSingletonPredicate"""
1573 return _IMP_core._object_cast_to_InBoundingBox3DSingletonPredicate(o)
1575 _object_types.append(
"IsCollisionPairPredicate")
1578 def _object_cast_to_IsCollisionPairPredicate(o):
1579 r"""_object_cast_to_IsCollisionPairPredicate(Object o) -> IsCollisionPairPredicate"""
1580 return _IMP_core._object_cast_to_IsCollisionPairPredicate(o)
1582 BinormalTermList=list
1583 _plural_types.append(
"BinormalTermList")
1584 _value_types.append(
"BinormalTerm")
1587 _object_types.append(
"MultipleBinormalRestraint")
1590 def _object_cast_to_MultipleBinormalRestraint(o):
1591 r"""_object_cast_to_MultipleBinormalRestraint(Object o) -> MultipleBinormalRestraint"""
1592 return _IMP_core._object_cast_to_MultipleBinormalRestraint(o)
1593 class ClosePairsFinder(IMP._ParticleInputs,
IMP.Object):
1594 r"""Proxy of C++ IMP::core::ClosePairsFinder class."""
1596 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1598 def __init__(self, *args, **kwargs):
1599 raise AttributeError(
"No constructor defined - class is abstract")
1600 __swig_destroy__ = _IMP_core.delete_ClosePairsFinder
1602 def get_close_pairs(self, *args):
1604 get_close_pairs(ClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
1605 get_close_pairs(ClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
1606 get_close_pairs(ClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
1607 get_close_pairs(ClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
1609 return _IMP_core.ClosePairsFinder_get_close_pairs(self, *args)
1611 def set_distance(self, d):
1612 r"""set_distance(ClosePairsFinder self, double d)"""
1613 return _IMP_core.ClosePairsFinder_set_distance(self, d)
1616 r"""get_distance(ClosePairsFinder self) -> double"""
1617 return _IMP_core.ClosePairsFinder_get_distance(self)
1618 def __get_pair_filters(self):
return IMP._list_util.VarList(getdimfunc=self.get_number_of_pair_filters, getfunc=self.get_pair_filter, erasefunc=self.erase_pair_filter, appendfunc=self.add_pair_filter, extendfunc=self.add_pair_filters, clearfunc=self.clear_pair_filters, indexfunc=self._python_index_pair_filter)
1619 def __set_pair_filters(self, obj): IMP._list_util.set_varlist(self.pair_filters, obj)
1620 def __del_pair_filters(self): IMP._list_util.del_varlist(self.pair_filters)
1621 pair_filters = property(__get_pair_filters, __set_pair_filters, __del_pair_filters, doc=
"List of ##ucnames")
1623 def remove_pair_filter(self, d):
1624 r"""remove_pair_filter(ClosePairsFinder self, PairPredicate d)"""
1625 return _IMP_core.ClosePairsFinder_remove_pair_filter(self, d)
1627 def _python_index_pair_filter(self, d, start, stop):
1628 r"""_python_index_pair_filter(ClosePairsFinder self, PairPredicate d, unsigned int start, unsigned int stop) -> unsigned int"""
1629 return _IMP_core.ClosePairsFinder__python_index_pair_filter(self, d, start, stop)
1631 def remove_pair_filters(self, d):
1632 r"""remove_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & d)"""
1633 return _IMP_core.ClosePairsFinder_remove_pair_filters(self, d)
1635 def set_pair_filters(self, ps):
1636 r"""set_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & ps)"""
1637 return _IMP_core.ClosePairsFinder_set_pair_filters(self, ps)
1639 def set_pair_filters_order(self, objs):
1640 r"""set_pair_filters_order(ClosePairsFinder self, IMP::PairPredicates const & objs)"""
1641 return _IMP_core.ClosePairsFinder_set_pair_filters_order(self, objs)
1643 def add_pair_filter(self, obj):
1644 r"""add_pair_filter(ClosePairsFinder self, PairPredicate obj) -> unsigned int"""
1645 return _IMP_core.ClosePairsFinder_add_pair_filter(self, obj)
1647 def add_pair_filters(self, objs):
1648 r"""add_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & objs)"""
1649 return _IMP_core.ClosePairsFinder_add_pair_filters(self, objs)
1651 def clear_pair_filters(self):
1652 r"""clear_pair_filters(ClosePairsFinder self)"""
1653 return _IMP_core.ClosePairsFinder_clear_pair_filters(self)
1655 def get_number_of_pair_filters(self):
1656 r"""get_number_of_pair_filters(ClosePairsFinder self) -> unsigned int"""
1657 return _IMP_core.ClosePairsFinder_get_number_of_pair_filters(self)
1659 def get_has_pair_filters(self):
1660 r"""get_has_pair_filters(ClosePairsFinder self) -> bool"""
1661 return _IMP_core.ClosePairsFinder_get_has_pair_filters(self)
1663 def get_pair_filter(self, i):
1664 r"""get_pair_filter(ClosePairsFinder self, unsigned int i) -> PairPredicate"""
1665 return _IMP_core.ClosePairsFinder_get_pair_filter(self, i)
1667 def get_pair_filters(self):
1668 r"""get_pair_filters(ClosePairsFinder self) -> IMP::PairPredicates"""
1669 return _IMP_core.ClosePairsFinder_get_pair_filters(self)
1671 def erase_pair_filter(self, i):
1672 r"""erase_pair_filter(ClosePairsFinder self, unsigned int i)"""
1673 return _IMP_core.ClosePairsFinder_erase_pair_filter(self, i)
1675 def reserve_pair_filters(self, sz):
1676 r"""reserve_pair_filters(ClosePairsFinder self, unsigned int sz)"""
1677 return _IMP_core.ClosePairsFinder_reserve_pair_filters(self, sz)
1680 r"""__str__(ClosePairsFinder self) -> std::string"""
1681 return _IMP_core.ClosePairsFinder___str__(self)
1684 r"""__repr__(ClosePairsFinder self) -> std::string"""
1685 return _IMP_core.ClosePairsFinder___repr__(self)
1689 return _object_cast_to_ClosePairsFinder(o)
1693 _IMP_core.ClosePairsFinder_swigregister(ClosePairsFinder)
1694 class MonteCarloMoverResult(IMP._Value):
1695 r"""Proxy of C++ IMP::core::MonteCarloMoverResult class."""
1697 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1699 def __init__(self, *args):
1700 r"""__init__(MonteCarloMoverResult self, IMP::ParticleIndexes i0=IMP::ParticleIndexes(), double i1=double()) -> MonteCarloMoverResult"""
1701 _IMP_core.MonteCarloMoverResult_swiginit(self, _IMP_core.new_MonteCarloMoverResult(*args))
1704 r"""__hash__(MonteCarloMoverResult self) -> std::size_t"""
1705 return _IMP_core.MonteCarloMoverResult___hash__(self)
1707 def show(self, *args):
1708 r"""show(MonteCarloMoverResult self, _ostream out=std::cout)"""
1709 return _IMP_core.MonteCarloMoverResult_show(self, *args)
1711 def __cmp__(self, o):
1712 r"""__cmp__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> int"""
1713 return _IMP_core.MonteCarloMoverResult___cmp__(self, o)
1715 def __eq__(self, o):
1716 r"""__eq__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1717 return _IMP_core.MonteCarloMoverResult___eq__(self, o)
1719 def __ne__(self, o):
1720 r"""__ne__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1721 return _IMP_core.MonteCarloMoverResult___ne__(self, o)
1723 def __lt__(self, o):
1724 r"""__lt__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1725 return _IMP_core.MonteCarloMoverResult___lt__(self, o)
1727 def __gt__(self, o):
1728 r"""__gt__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1729 return _IMP_core.MonteCarloMoverResult___gt__(self, o)
1731 def __ge__(self, o):
1732 r"""__ge__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1733 return _IMP_core.MonteCarloMoverResult___ge__(self, o)
1735 def __le__(self, o):
1736 r"""__le__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1737 return _IMP_core.MonteCarloMoverResult___le__(self, o)
1739 def get_moved_particles(self):
1740 r"""get_moved_particles(MonteCarloMoverResult self) -> IMP::ParticleIndexes const &"""
1741 return _IMP_core.MonteCarloMoverResult_get_moved_particles(self)
1743 def set_moved_particles(self, v):
1744 r"""set_moved_particles(MonteCarloMoverResult self, IMP::ParticleIndexes const & v)"""
1745 return _IMP_core.MonteCarloMoverResult_set_moved_particles(self, v)
1747 def get_proposal_ratio(self):
1748 r"""get_proposal_ratio(MonteCarloMoverResult self) -> double const &"""
1749 return _IMP_core.MonteCarloMoverResult_get_proposal_ratio(self)
1751 def set_proposal_ratio(self, v):
1752 r"""set_proposal_ratio(MonteCarloMoverResult self, double const & v)"""
1753 return _IMP_core.MonteCarloMoverResult_set_proposal_ratio(self, v)
1756 r"""__str__(MonteCarloMoverResult self) -> std::string"""
1757 return _IMP_core.MonteCarloMoverResult___str__(self)
1760 r"""__repr__(MonteCarloMoverResult self) -> std::string"""
1761 return _IMP_core.MonteCarloMoverResult___repr__(self)
1762 __swig_destroy__ = _IMP_core.delete_MonteCarloMoverResult
1765 _IMP_core.MonteCarloMoverResult_swigregister(MonteCarloMoverResult)
1767 r"""Proxy of C++ IMP::core::MonteCarloMover class."""
1769 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1771 def __init__(self, *args):
1773 __init__(MonteCarloMover self, Model m, std::string name) -> MonteCarloMover
1774 __init__(MonteCarloMover self) -> MonteCarloMover
1776 if self.__class__ == MonteCarloMover:
1780 _IMP_core.MonteCarloMover_swiginit(self, _IMP_core.new_MonteCarloMover(_self, *args))
1782 if self.__class__ != MonteCarloMover:
1783 _director_objects.register(self)
1789 r"""propose(MonteCarloMover self) -> MonteCarloMoverResult"""
1790 return _IMP_core.MonteCarloMover_propose(self)
1793 r"""reject(MonteCarloMover self)"""
1794 return _IMP_core.MonteCarloMover_reject(self)
1797 r"""accept(MonteCarloMover self)"""
1798 return _IMP_core.MonteCarloMover_accept(self)
1800 def get_number_of_proposed(self):
1801 r"""get_number_of_proposed(MonteCarloMover self) -> unsigned int"""
1802 return _IMP_core.MonteCarloMover_get_number_of_proposed(self)
1804 def get_number_of_accepted(self):
1805 r"""get_number_of_accepted(MonteCarloMover self) -> unsigned int"""
1806 return _IMP_core.MonteCarloMover_get_number_of_accepted(self)
1808 def reset_statistics(self):
1809 r"""reset_statistics(MonteCarloMover self)"""
1810 return _IMP_core.MonteCarloMover_reset_statistics(self)
1812 def add_to_statistics(self, num_proposed, num_rejected):
1813 r"""add_to_statistics(MonteCarloMover self, unsigned int num_proposed, unsigned int num_rejected)"""
1814 return _IMP_core.MonteCarloMover_add_to_statistics(self, num_proposed, num_rejected)
1816 def do_propose(self):
1817 r"""do_propose(MonteCarloMover self) -> MonteCarloMoverResult"""
1818 return _IMP_core.MonteCarloMover_do_propose(self)
1820 def do_reject(self):
1821 r"""do_reject(MonteCarloMover self)"""
1822 return _IMP_core.MonteCarloMover_do_reject(self)
1824 def do_accept(self):
1825 r"""do_accept(MonteCarloMover self)"""
1826 return _IMP_core.MonteCarloMover_do_accept(self)
1828 def do_get_outputs(self):
1829 r"""do_get_outputs(MonteCarloMover self) -> IMP::ModelObjectsTemp"""
1830 return _IMP_core.MonteCarloMover_do_get_outputs(self)
1833 r"""__str__(MonteCarloMover self) -> std::string"""
1834 return _IMP_core.MonteCarloMover___str__(self)
1837 r"""__repr__(MonteCarloMover self) -> std::string"""
1838 return _IMP_core.MonteCarloMover___repr__(self)
1842 return _object_cast_to_MonteCarloMover(o)
1845 def do_show(self, out):
1850 return _object_cast_to_MonteCarloMover(o)
1853 def _get_jax(self, space):
1854 """Return a JAX implementation of this mover.
1855 Implement this method in a MonteCarloMover subclass to provide
1856 equivalent functionality using [JAX](https://docs.jax.dev/).
1857 See _wrap_jax for more information.
1859 @param space The space in which the mover operates
1860 (e.g. a periodic box). See IMP._jax_util.Space.
1862 raise NotImplementedError(f
"No JAX implementation for {self}")
1864 def _wrap_jax(self, init_func, propose_func, accept_func=None,
1865 sync_func=
None, reset_stats_func=
None, keys=
None):
1866 """Create the return value for _get_jax.
1867 Use this method in _get_jax() to wrap the JAX functions
1868 with other mover-specific information.
1870 @param init_func a JAX function which is used to initialize this
1871 mover. It is called with a single argument, a fresh JAX
1872 random key, and should return a persistent state object.
1873 This object may be the key itself, or any other Python object
1874 that JAX understands.
1875 @param propose_func a JAX function which is called with the current
1876 JAX Model and the mover's persistent state object.
1877 It should return a new JAX Model with the move applied,
1878 a new persistent state, and the proposal ratio. If the move
1879 is rejected then the new JAX Model will be discarded.
1880 However, the mover's persistent state is updated for both
1881 accepted and rejected moves.
1882 @param accept_func if provided, a JAX function which is called
1883 after each accepted Monte Carlo move, with the persistent
1884 state object. It should return a new persistent state.
1885 @param sync_func If provided, a Python function which is called
1886 at the end of a Monte Carlo sampling run to sync mover
1887 data back to IMP. It is called with the persistent state
1888 and the IMP Mover object.
1889 @param reset_stats_func If provided, a JAX function which is called
1890 at the beginning of a Monte Carlo run to reset this mover's
1891 statistics. It is called with the persistent state object and
1892 should return a new state.
1893 @param keys If given, a set of IMP::Key objects describing Model
1894 attributes (other than xyz and radius) that are altered
1897 from IMP.core._jax_util
import JAXMoverInfo
1898 return JAXMoverInfo(init_func, propose_func, accept_func, sync_func,
1899 reset_stats_func, keys)
1901 __swig_destroy__ = _IMP_core.delete_MonteCarloMover
1902 def __disown__(self):
1904 _IMP_core.disown_MonteCarloMover(self)
1905 return weakref.proxy(self)
1907 def do_destroy(self):
1908 r"""do_destroy(MonteCarloMover self)"""
1909 return _IMP_core.MonteCarloMover_do_destroy(self)
1911 def handle_set_has_required_score_states(self, arg0):
1912 r"""handle_set_has_required_score_states(MonteCarloMover self, bool arg0)"""
1913 return _IMP_core.MonteCarloMover_handle_set_has_required_score_states(self, arg0)
1915 def do_get_inputs(self):
1916 r"""do_get_inputs(MonteCarloMover self) -> IMP::ModelObjectsTemp"""
1917 return _IMP_core.MonteCarloMover_do_get_inputs(self)
1919 def do_get_interactions(self):
1920 r"""do_get_interactions(MonteCarloMover self) -> IMP::ModelObjectsTemps"""
1921 return _IMP_core.MonteCarloMover_do_get_interactions(self)
1924 _IMP_core.MonteCarloMover_swigregister(MonteCarloMover)
1926 r"""Proxy of C++ IMP::core::XYZ class."""
1928 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1931 def get_coordinate_key(i):
1932 r"""get_coordinate_key(unsigned int i) -> FloatKey"""
1933 return _IMP_core.XYZ_get_coordinate_key(i)
1935 def __init__(self, *args):
1937 __init__(XYZ self) -> XYZ
1938 __init__(XYZ self, Model m, ParticleIndex id) -> XYZ
1939 __init__(XYZ self, _ParticleAdaptor d) -> XYZ
1941 _IMP_core.XYZ_swiginit(self, _IMP_core.new_XYZ(*args))
1943 def show(self, *args):
1944 r"""show(XYZ self, _ostream out=std::cout)"""
1945 return _IMP_core.XYZ_show(self, *args)
1948 def setup_particle(*args):
1950 setup_particle(Model m, ParticleIndex pi) -> XYZ
1951 setup_particle(_ParticleAdaptor pa) -> XYZ
1952 setup_particle(Model m, ParticleIndex pi, Vector3D v) -> XYZ
1953 setup_particle(_ParticleAdaptor pa, Vector3D v) -> XYZ
1955 return _IMP_core.XYZ_setup_particle(*args)
1958 r"""get_x(XYZ self) -> IMP::Float"""
1959 return _IMP_core.XYZ_get_x(self)
1962 r"""set_x(XYZ self, IMP::Float t)"""
1963 return _IMP_core.XYZ_set_x(self, t)
1966 r"""get_y(XYZ self) -> IMP::Float"""
1967 return _IMP_core.XYZ_get_y(self)
1970 r"""set_y(XYZ self, IMP::Float t)"""
1971 return _IMP_core.XYZ_set_y(self, t)
1974 r"""get_z(XYZ self) -> IMP::Float"""
1975 return _IMP_core.XYZ_get_z(self)
1978 r"""set_z(XYZ self, IMP::Float t)"""
1979 return _IMP_core.XYZ_set_z(self, t)
1981 def set_coordinate(self, i, v):
1982 r"""set_coordinate(XYZ self, unsigned int i, IMP::Float v)"""
1983 return _IMP_core.XYZ_set_coordinate(self, i, v)
1985 def set_coordinates(self, v):
1986 r"""set_coordinates(XYZ self, Vector3D v)"""
1987 return _IMP_core.XYZ_set_coordinates(self, v)
1989 def get_coordinate(self, i):
1990 r"""get_coordinate(XYZ self, int i) -> IMP::Float"""
1991 return _IMP_core.XYZ_get_coordinate(self, i)
1993 def add_to_derivatives(self, v, d):
1994 r"""add_to_derivatives(XYZ self, Vector3D v, DerivativeAccumulator d)"""
1995 return _IMP_core.XYZ_add_to_derivatives(self, v, d)
1997 def get_coordinates_are_optimized(self):
1998 r"""get_coordinates_are_optimized(XYZ self) -> bool"""
1999 return _IMP_core.XYZ_get_coordinates_are_optimized(self)
2001 def set_coordinates_are_optimized(self, tf):
2002 r"""set_coordinates_are_optimized(XYZ self, bool tf)"""
2003 return _IMP_core.XYZ_set_coordinates_are_optimized(self, tf)
2005 def get_vector_to(self, b):
2006 r"""get_vector_to(XYZ self, XYZ b) -> Vector3D"""
2007 return _IMP_core.XYZ_get_vector_to(self, b)
2009 def get_coordinates(self):
2010 r"""get_coordinates(XYZ self) -> Vector3D"""
2011 return _IMP_core.XYZ_get_coordinates(self)
2013 def get_derivatives(self):
2014 r"""get_derivatives(XYZ self) -> Vector3D"""
2015 return _IMP_core.XYZ_get_derivatives(self)
2018 def get_is_setup(*args):
2020 get_is_setup(_ParticleAdaptor p) -> bool
2021 get_is_setup(Model m, ParticleIndex pi) -> bool
2023 return _IMP_core.XYZ_get_is_setup(*args)
2027 r"""get_xyz_keys() -> IMP::FloatKeys const &"""
2028 return _IMP_core.XYZ_get_xyz_keys()
2030 def add_attribute(self, *args):
2032 add_attribute(XYZ self, FloatKey k, IMP::Float v, bool opt)
2033 add_attribute(XYZ self, FloatKey a0, IMP::Float a1)
2034 add_attribute(XYZ self, IntKey a0, IMP::Int a1)
2035 add_attribute(XYZ self, FloatsKey a0, IMP::Floats a1)
2036 add_attribute(XYZ self, IntsKey a0, IMP::Ints a1)
2037 add_attribute(XYZ self, StringKey a0, IMP::String a1)
2038 add_attribute(XYZ self, ParticleIndexKey a0, Particle a1)
2039 add_attribute(XYZ self, ObjectKey a0, Object a1)
2040 add_attribute(XYZ self, SparseFloatKey a0, IMP::Float a1)
2041 add_attribute(XYZ self, SparseIntKey a0, IMP::Int a1)
2042 add_attribute(XYZ self, SparseStringKey a0, IMP::String a1)
2043 add_attribute(XYZ self, SparseParticleIndexKey a0, ParticleIndex a1)
2045 return _IMP_core.XYZ_add_attribute(self, *args)
2047 def get_value(self, *args):
2049 get_value(XYZ self, FloatKey a0) -> IMP::Float
2050 get_value(XYZ self, IntKey a0) -> IMP::Int
2051 get_value(XYZ self, FloatsKey a0) -> IMP::Floats
2052 get_value(XYZ self, IntsKey a0) -> IMP::Ints
2053 get_value(XYZ self, StringKey a0) -> IMP::String
2054 get_value(XYZ self, ParticleIndexKey a0) -> Particle
2055 get_value(XYZ self, ObjectKey a0) -> Object
2056 get_value(XYZ self, SparseFloatKey a0) -> IMP::Float
2057 get_value(XYZ self, SparseIntKey a0) -> IMP::Int
2058 get_value(XYZ self, SparseStringKey a0) -> IMP::String
2059 get_value(XYZ self, SparseParticleIndexKey a0) -> ParticleIndex
2061 return _IMP_core.XYZ_get_value(self, *args)
2063 def set_value(self, *args):
2065 set_value(XYZ self, FloatKey a0, IMP::Float a1)
2066 set_value(XYZ self, IntKey a0, IMP::Int a1)
2067 set_value(XYZ self, FloatsKey a0, IMP::Floats a1)
2068 set_value(XYZ self, IntsKey a0, IMP::Ints a1)
2069 set_value(XYZ self, StringKey a0, IMP::String a1)
2070 set_value(XYZ self, ParticleIndexKey a0, Particle a1)
2071 set_value(XYZ self, ObjectKey a0, Object a1)
2072 set_value(XYZ self, SparseFloatKey a0, IMP::Float a1)
2073 set_value(XYZ self, SparseIntKey a0, IMP::Int a1)
2074 set_value(XYZ self, SparseStringKey a0, IMP::String a1)
2075 set_value(XYZ self, SparseParticleIndexKey a0, ParticleIndex a1)
2077 return _IMP_core.XYZ_set_value(self, *args)
2079 def remove_attribute(self, *args):
2081 remove_attribute(XYZ self, FloatKey a0)
2082 remove_attribute(XYZ self, IntKey a0)
2083 remove_attribute(XYZ self, FloatsKey a0)
2084 remove_attribute(XYZ self, IntsKey a0)
2085 remove_attribute(XYZ self, StringKey a0)
2086 remove_attribute(XYZ self, ParticleIndexKey a0)
2087 remove_attribute(XYZ self, ObjectKey a0)
2088 remove_attribute(XYZ self, SparseFloatKey a0)
2089 remove_attribute(XYZ self, SparseIntKey a0)
2090 remove_attribute(XYZ self, SparseStringKey a0)
2091 remove_attribute(XYZ self, SparseParticleIndexKey a0)
2093 return _IMP_core.XYZ_remove_attribute(self, *args)
2095 def has_attribute(self, *args):
2097 has_attribute(XYZ self, FloatKey a0) -> bool
2098 has_attribute(XYZ self, IntKey a0) -> bool
2099 has_attribute(XYZ self, FloatsKey a0) -> bool
2100 has_attribute(XYZ self, IntsKey a0) -> bool
2101 has_attribute(XYZ self, StringKey a0) -> bool
2102 has_attribute(XYZ self, ParticleIndexKey a0) -> bool
2103 has_attribute(XYZ self, ObjectKey a0) -> bool
2104 has_attribute(XYZ self, SparseFloatKey a0) -> bool
2105 has_attribute(XYZ self, SparseIntKey a0) -> bool
2106 has_attribute(XYZ self, SparseStringKey a0) -> bool
2107 has_attribute(XYZ self, SparseParticleIndexKey a0) -> bool
2109 return _IMP_core.XYZ_has_attribute(self, *args)
2111 def get_derivative(self, *args):
2113 get_derivative(XYZ self, int i) -> IMP::Float
2114 get_derivative(XYZ self, FloatKey a0) -> double
2116 return _IMP_core.XYZ_get_derivative(self, *args)
2119 r"""get_name(XYZ self) -> std::string"""
2120 return _IMP_core.XYZ_get_name(self)
2122 def clear_caches(self):
2123 r"""clear_caches(XYZ self)"""
2124 return _IMP_core.XYZ_clear_caches(self)
2126 def set_name(self, a0):
2127 r"""set_name(XYZ self, std::string a0)"""
2128 return _IMP_core.XYZ_set_name(self, a0)
2131 r"""set_check_level(XYZ self, IMP::CheckLevel a0)"""
2132 return _IMP_core.XYZ_set_check_level(self, a0)
2134 def add_to_derivative(self, *args):
2136 add_to_derivative(XYZ self, int i, IMP::Float v, DerivativeAccumulator d)
2137 add_to_derivative(XYZ self, FloatKey a0, double a1, DerivativeAccumulator a2)
2139 return _IMP_core.XYZ_add_to_derivative(self, *args)
2141 def set_is_optimized(self, a0, a1):
2142 r"""set_is_optimized(XYZ self, FloatKey a0, bool a1)"""
2143 return _IMP_core.XYZ_set_is_optimized(self, a0, a1)
2145 def get_is_optimized(self, a0):
2146 r"""get_is_optimized(XYZ self, FloatKey a0) -> bool"""
2147 return _IMP_core.XYZ_get_is_optimized(self, a0)
2150 r"""get_check_level(XYZ self) -> IMP::CheckLevel"""
2151 return _IMP_core.XYZ_get_check_level(self)
2153 def __eq__(self, *args):
2155 __eq__(XYZ self, XYZ o) -> bool
2156 __eq__(XYZ self, Particle d) -> bool
2158 return _IMP_core.XYZ___eq__(self, *args)
2160 def __ne__(self, *args):
2162 __ne__(XYZ self, XYZ o) -> bool
2163 __ne__(XYZ self, Particle d) -> bool
2165 return _IMP_core.XYZ___ne__(self, *args)
2167 def __le__(self, *args):
2169 __le__(XYZ self, XYZ o) -> bool
2170 __le__(XYZ self, Particle d) -> bool
2172 return _IMP_core.XYZ___le__(self, *args)
2174 def __lt__(self, *args):
2176 __lt__(XYZ self, XYZ o) -> bool
2177 __lt__(XYZ self, Particle d) -> bool
2179 return _IMP_core.XYZ___lt__(self, *args)
2181 def __ge__(self, *args):
2183 __ge__(XYZ self, XYZ o) -> bool
2184 __ge__(XYZ self, Particle d) -> bool
2186 return _IMP_core.XYZ___ge__(self, *args)
2188 def __gt__(self, *args):
2190 __gt__(XYZ self, XYZ o) -> bool
2191 __gt__(XYZ self, Particle d) -> bool
2193 return _IMP_core.XYZ___gt__(self, *args)
2196 r"""__hash__(XYZ self) -> std::size_t"""
2197 return _IMP_core.XYZ___hash__(self)
2200 r"""__str__(XYZ self) -> std::string"""
2201 return _IMP_core.XYZ___str__(self)
2204 r"""__repr__(XYZ self) -> std::string"""
2205 return _IMP_core.XYZ___repr__(self)
2207 def _get_as_binary(self):
2208 r"""_get_as_binary(XYZ self) -> PyObject *"""
2209 return _IMP_core.XYZ__get_as_binary(self)
2211 def _set_from_binary(self, p):
2212 r"""_set_from_binary(XYZ self, PyObject * p)"""
2213 return _IMP_core.XYZ__set_from_binary(self, p)
2215 def __getstate__(self):
2216 p = self._get_as_binary()
2217 if len(self.__dict__) > 1:
2218 d = self.__dict__.copy()
2223 def __setstate__(self, p):
2224 if not hasattr(self,
'this'):
2226 if isinstance(p, tuple):
2228 self.__dict__.update(d)
2229 return self._set_from_binary(p)
2231 __swig_destroy__ = _IMP_core.delete_XYZ
2234 _IMP_core.XYZ_swigregister(XYZ)
2237 r"""set_vector_geometry(XYZ d, Vector3D v)"""
2238 return _IMP_core.set_vector_geometry(d, v)
2241 r"""get_vector_geometry(XYZ d) -> Vector3D"""
2242 return _IMP_core.get_vector_geometry(d)
2245 r"""get_dihedral(XYZ a, XYZ b, XYZ c, XYZ d) -> double"""
2246 return _IMP_core.get_dihedral(a, b, c, d)
2248 r"""Proxy of C++ IMP::core::XYZR class."""
2250 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2252 def __init__(self, *args):
2254 __init__(XYZR self) -> XYZR
2255 __init__(XYZR self, Model m, ParticleIndex id) -> XYZR
2256 __init__(XYZR self, _ParticleAdaptor d) -> XYZR
2258 _IMP_core.XYZR_swiginit(self, _IMP_core.new_XYZR(*args))
2260 def show(self, *args):
2261 r"""show(XYZR self, _ostream out=std::cout)"""
2262 return _IMP_core.XYZR_show(self, *args)
2265 def setup_particle(*args):
2267 setup_particle(Model m, ParticleIndex pi) -> XYZR
2268 setup_particle(_ParticleAdaptor pa) -> XYZR
2269 setup_particle(Model m, ParticleIndex pi, IMP::Float radius) -> XYZR
2270 setup_particle(_ParticleAdaptor pa, IMP::Float radius) -> XYZR
2271 setup_particle(Model m, ParticleIndex pi, Sphere3D ball) -> XYZR
2272 setup_particle(_ParticleAdaptor pa, Sphere3D ball) -> XYZR
2274 return _IMP_core.XYZR_setup_particle(*args)
2277 def get_is_setup(*args):
2279 get_is_setup(_ParticleAdaptor p) -> bool
2280 get_is_setup(Model m, ParticleIndex pi) -> bool
2282 return _IMP_core.XYZR_get_is_setup(*args)
2284 def get_radius(self):
2285 r"""get_radius(XYZR self) -> double"""
2286 return _IMP_core.XYZR_get_radius(self)
2288 def set_radius(self, r):
2289 r"""set_radius(XYZR self, double r)"""
2290 return _IMP_core.XYZR_set_radius(self, r)
2292 def get_sphere(self):
2293 r"""get_sphere(XYZR self) -> Sphere3D"""
2294 return _IMP_core.XYZR_get_sphere(self)
2296 def set_sphere(self, s):
2297 r"""set_sphere(XYZR self, Sphere3D s)"""
2298 return _IMP_core.XYZR_set_sphere(self, s)
2301 def get_radius_key():
2302 r"""get_radius_key() -> FloatKey"""
2303 return _IMP_core.XYZR_get_radius_key()
2305 def add_to_radius_derivative(self, v, d):
2306 r"""add_to_radius_derivative(XYZR self, double v, DerivativeAccumulator d)"""
2307 return _IMP_core.XYZR_add_to_radius_derivative(self, v, d)
2309 def add_attribute(self, *args):
2311 add_attribute(XYZR self, FloatKey k, IMP::Float v, bool opt)
2312 add_attribute(XYZR self, FloatKey a0, IMP::Float a1)
2313 add_attribute(XYZR self, IntKey a0, IMP::Int a1)
2314 add_attribute(XYZR self, FloatsKey a0, IMP::Floats a1)
2315 add_attribute(XYZR self, IntsKey a0, IMP::Ints a1)
2316 add_attribute(XYZR self, StringKey a0, IMP::String a1)
2317 add_attribute(XYZR self, ParticleIndexKey a0, Particle a1)
2318 add_attribute(XYZR self, ObjectKey a0, Object a1)
2319 add_attribute(XYZR self, SparseFloatKey a0, IMP::Float a1)
2320 add_attribute(XYZR self, SparseIntKey a0, IMP::Int a1)
2321 add_attribute(XYZR self, SparseStringKey a0, IMP::String a1)
2322 add_attribute(XYZR self, SparseParticleIndexKey a0, ParticleIndex a1)
2324 return _IMP_core.XYZR_add_attribute(self, *args)
2326 def get_value(self, *args):
2328 get_value(XYZR self, FloatKey a0) -> IMP::Float
2329 get_value(XYZR self, IntKey a0) -> IMP::Int
2330 get_value(XYZR self, FloatsKey a0) -> IMP::Floats
2331 get_value(XYZR self, IntsKey a0) -> IMP::Ints
2332 get_value(XYZR self, StringKey a0) -> IMP::String
2333 get_value(XYZR self, ParticleIndexKey a0) -> Particle
2334 get_value(XYZR self, ObjectKey a0) -> Object
2335 get_value(XYZR self, SparseFloatKey a0) -> IMP::Float
2336 get_value(XYZR self, SparseIntKey a0) -> IMP::Int
2337 get_value(XYZR self, SparseStringKey a0) -> IMP::String
2338 get_value(XYZR self, SparseParticleIndexKey a0) -> ParticleIndex
2340 return _IMP_core.XYZR_get_value(self, *args)
2342 def set_value(self, *args):
2344 set_value(XYZR self, FloatKey a0, IMP::Float a1)
2345 set_value(XYZR self, IntKey a0, IMP::Int a1)
2346 set_value(XYZR self, FloatsKey a0, IMP::Floats a1)
2347 set_value(XYZR self, IntsKey a0, IMP::Ints a1)
2348 set_value(XYZR self, StringKey a0, IMP::String a1)
2349 set_value(XYZR self, ParticleIndexKey a0, Particle a1)
2350 set_value(XYZR self, ObjectKey a0, Object a1)
2351 set_value(XYZR self, SparseFloatKey a0, IMP::Float a1)
2352 set_value(XYZR self, SparseIntKey a0, IMP::Int a1)
2353 set_value(XYZR self, SparseStringKey a0, IMP::String a1)
2354 set_value(XYZR self, SparseParticleIndexKey a0, ParticleIndex a1)
2356 return _IMP_core.XYZR_set_value(self, *args)
2358 def remove_attribute(self, *args):
2360 remove_attribute(XYZR self, FloatKey a0)
2361 remove_attribute(XYZR self, IntKey a0)
2362 remove_attribute(XYZR self, FloatsKey a0)
2363 remove_attribute(XYZR self, IntsKey a0)
2364 remove_attribute(XYZR self, StringKey a0)
2365 remove_attribute(XYZR self, ParticleIndexKey a0)
2366 remove_attribute(XYZR self, ObjectKey a0)
2367 remove_attribute(XYZR self, SparseFloatKey a0)
2368 remove_attribute(XYZR self, SparseIntKey a0)
2369 remove_attribute(XYZR self, SparseStringKey a0)
2370 remove_attribute(XYZR self, SparseParticleIndexKey a0)
2372 return _IMP_core.XYZR_remove_attribute(self, *args)
2374 def has_attribute(self, *args):
2376 has_attribute(XYZR self, FloatKey a0) -> bool
2377 has_attribute(XYZR self, IntKey a0) -> bool
2378 has_attribute(XYZR self, FloatsKey a0) -> bool
2379 has_attribute(XYZR self, IntsKey a0) -> bool
2380 has_attribute(XYZR self, StringKey a0) -> bool
2381 has_attribute(XYZR self, ParticleIndexKey a0) -> bool
2382 has_attribute(XYZR self, ObjectKey a0) -> bool
2383 has_attribute(XYZR self, SparseFloatKey a0) -> bool
2384 has_attribute(XYZR self, SparseIntKey a0) -> bool
2385 has_attribute(XYZR self, SparseStringKey a0) -> bool
2386 has_attribute(XYZR self, SparseParticleIndexKey a0) -> bool
2388 return _IMP_core.XYZR_has_attribute(self, *args)
2390 def get_derivative(self, a0):
2391 r"""get_derivative(XYZR self, FloatKey a0) -> double"""
2392 return _IMP_core.XYZR_get_derivative(self, a0)
2395 r"""get_name(XYZR self) -> std::string"""
2396 return _IMP_core.XYZR_get_name(self)
2398 def clear_caches(self):
2399 r"""clear_caches(XYZR self)"""
2400 return _IMP_core.XYZR_clear_caches(self)
2402 def set_name(self, a0):
2403 r"""set_name(XYZR self, std::string a0)"""
2404 return _IMP_core.XYZR_set_name(self, a0)
2407 r"""set_check_level(XYZR self, IMP::CheckLevel a0)"""
2408 return _IMP_core.XYZR_set_check_level(self, a0)
2410 def add_to_derivative(self, a0, a1, a2):
2411 r"""add_to_derivative(XYZR self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2412 return _IMP_core.XYZR_add_to_derivative(self, a0, a1, a2)
2414 def set_is_optimized(self, a0, a1):
2415 r"""set_is_optimized(XYZR self, FloatKey a0, bool a1)"""
2416 return _IMP_core.XYZR_set_is_optimized(self, a0, a1)
2418 def get_is_optimized(self, a0):
2419 r"""get_is_optimized(XYZR self, FloatKey a0) -> bool"""
2420 return _IMP_core.XYZR_get_is_optimized(self, a0)
2423 r"""get_check_level(XYZR self) -> IMP::CheckLevel"""
2424 return _IMP_core.XYZR_get_check_level(self)
2426 def __eq__(self, *args):
2428 __eq__(XYZR self, XYZR o) -> bool
2429 __eq__(XYZR self, Particle d) -> bool
2431 return _IMP_core.XYZR___eq__(self, *args)
2433 def __ne__(self, *args):
2435 __ne__(XYZR self, XYZR o) -> bool
2436 __ne__(XYZR self, Particle d) -> bool
2438 return _IMP_core.XYZR___ne__(self, *args)
2440 def __le__(self, *args):
2442 __le__(XYZR self, XYZR o) -> bool
2443 __le__(XYZR self, Particle d) -> bool
2445 return _IMP_core.XYZR___le__(self, *args)
2447 def __lt__(self, *args):
2449 __lt__(XYZR self, XYZR o) -> bool
2450 __lt__(XYZR self, Particle d) -> bool
2452 return _IMP_core.XYZR___lt__(self, *args)
2454 def __ge__(self, *args):
2456 __ge__(XYZR self, XYZR o) -> bool
2457 __ge__(XYZR self, Particle d) -> bool
2459 return _IMP_core.XYZR___ge__(self, *args)
2461 def __gt__(self, *args):
2463 __gt__(XYZR self, XYZR o) -> bool
2464 __gt__(XYZR self, Particle d) -> bool
2466 return _IMP_core.XYZR___gt__(self, *args)
2469 r"""__hash__(XYZR self) -> std::size_t"""
2470 return _IMP_core.XYZR___hash__(self)
2473 r"""__str__(XYZR self) -> std::string"""
2474 return _IMP_core.XYZR___str__(self)
2477 r"""__repr__(XYZR self) -> std::string"""
2478 return _IMP_core.XYZR___repr__(self)
2480 def _get_as_binary(self):
2481 r"""_get_as_binary(XYZR self) -> PyObject *"""
2482 return _IMP_core.XYZR__get_as_binary(self)
2484 def _set_from_binary(self, p):
2485 r"""_set_from_binary(XYZR self, PyObject * p)"""
2486 return _IMP_core.XYZR__set_from_binary(self, p)
2488 def __getstate__(self):
2489 p = self._get_as_binary()
2490 if len(self.__dict__) > 1:
2491 d = self.__dict__.copy()
2496 def __setstate__(self, p):
2497 if not hasattr(self,
'this'):
2499 if isinstance(p, tuple):
2501 self.__dict__.update(d)
2502 return self._set_from_binary(p)
2504 __swig_destroy__ = _IMP_core.delete_XYZR
2507 _IMP_core.XYZR_swigregister(XYZR)
2510 r"""set_enclosing_sphere(XYZR b, IMP::core::XYZs const & v, double slack=0)"""
2511 return _IMP_core.set_enclosing_sphere(b, v, slack)
2514 r"""set_enclosing_radius(XYZR b, IMP::core::XYZs const & v)"""
2515 return _IMP_core.set_enclosing_radius(b, v)
2518 r"""get_enclosing_sphere(IMP::core::XYZs const & v) -> Sphere3D"""
2519 return _IMP_core.get_enclosing_sphere(v)
2522 r"""create_xyzr_particles(Model m, unsigned int num, IMP::Float radius, IMP::Float box_side=10) -> IMP::core::XYZRs"""
2523 return _IMP_core.create_xyzr_particles(m, num, radius, box_side)
2525 r"""Proxy of C++ IMP::core::XYZRGeometry class."""
2527 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2529 def __init__(self, *args):
2531 __init__(XYZRGeometry self, Particle p) -> XYZRGeometry
2532 __init__(XYZRGeometry self, XYZR d) -> XYZRGeometry
2534 _IMP_core.XYZRGeometry_swiginit(self, _IMP_core.new_XYZRGeometry(*args))
2536 def get_version_info(self):
2537 r"""get_version_info(XYZRGeometry self) -> VersionInfo"""
2538 return _IMP_core.XYZRGeometry_get_version_info(self)
2539 __swig_destroy__ = _IMP_core.delete_XYZRGeometry
2542 r"""__str__(XYZRGeometry self) -> std::string"""
2543 return _IMP_core.XYZRGeometry___str__(self)
2546 r"""__repr__(XYZRGeometry self) -> std::string"""
2547 return _IMP_core.XYZRGeometry___repr__(self)
2551 return _object_cast_to_XYZRGeometry(o)
2555 _IMP_core.XYZRGeometry_swigregister(XYZRGeometry)
2557 r"""Proxy of C++ IMP::core::XYZRsGeometry class."""
2559 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2561 def __init__(self, sc):
2562 r"""__init__(XYZRsGeometry self, SingletonContainer sc) -> XYZRsGeometry"""
2563 _IMP_core.XYZRsGeometry_swiginit(self, _IMP_core.new_XYZRsGeometry(sc))
2565 def get_version_info(self):
2566 r"""get_version_info(XYZRsGeometry self) -> VersionInfo"""
2567 return _IMP_core.XYZRsGeometry_get_version_info(self)
2568 __swig_destroy__ = _IMP_core.delete_XYZRsGeometry
2571 r"""__str__(XYZRsGeometry self) -> std::string"""
2572 return _IMP_core.XYZRsGeometry___str__(self)
2575 r"""__repr__(XYZRsGeometry self) -> std::string"""
2576 return _IMP_core.XYZRsGeometry___repr__(self)
2580 return _object_cast_to_XYZRsGeometry(o)
2584 _IMP_core.XYZRsGeometry_swigregister(XYZRsGeometry)
2586 r"""Proxy of C++ IMP::core::XYZDerivativeGeometry class."""
2588 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2590 def __init__(self, *args):
2592 __init__(XYZDerivativeGeometry self, Particle p) -> XYZDerivativeGeometry
2593 __init__(XYZDerivativeGeometry self, XYZ d) -> XYZDerivativeGeometry
2595 _IMP_core.XYZDerivativeGeometry_swiginit(self, _IMP_core.new_XYZDerivativeGeometry(*args))
2597 def get_version_info(self):
2598 r"""get_version_info(XYZDerivativeGeometry self) -> VersionInfo"""
2599 return _IMP_core.XYZDerivativeGeometry_get_version_info(self)
2600 __swig_destroy__ = _IMP_core.delete_XYZDerivativeGeometry
2603 r"""__str__(XYZDerivativeGeometry self) -> std::string"""
2604 return _IMP_core.XYZDerivativeGeometry___str__(self)
2607 r"""__repr__(XYZDerivativeGeometry self) -> std::string"""
2608 return _IMP_core.XYZDerivativeGeometry___repr__(self)
2612 return _object_cast_to_XYZDerivativeGeometry(o)
2616 _IMP_core.XYZDerivativeGeometry_swigregister(XYZDerivativeGeometry)
2618 r"""Proxy of C++ IMP::core::XYZDerivativesGeometry class."""
2620 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2622 def __init__(self, sc):
2623 r"""__init__(XYZDerivativesGeometry self, SingletonContainer sc) -> XYZDerivativesGeometry"""
2624 _IMP_core.XYZDerivativesGeometry_swiginit(self, _IMP_core.new_XYZDerivativesGeometry(sc))
2626 def get_version_info(self):
2627 r"""get_version_info(XYZDerivativesGeometry self) -> VersionInfo"""
2628 return _IMP_core.XYZDerivativesGeometry_get_version_info(self)
2629 __swig_destroy__ = _IMP_core.delete_XYZDerivativesGeometry
2632 r"""__str__(XYZDerivativesGeometry self) -> std::string"""
2633 return _IMP_core.XYZDerivativesGeometry___str__(self)
2636 r"""__repr__(XYZDerivativesGeometry self) -> std::string"""
2637 return _IMP_core.XYZDerivativesGeometry___repr__(self)
2641 return _object_cast_to_XYZDerivativesGeometry(o)
2645 _IMP_core.XYZDerivativesGeometry_swigregister(XYZDerivativesGeometry)
2647 r"""Proxy of C++ IMP::core::EdgePairGeometry class."""
2649 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2651 def __init__(self, pp):
2652 r"""__init__(EdgePairGeometry self, IMP::ParticlePair const & pp) -> EdgePairGeometry"""
2653 _IMP_core.EdgePairGeometry_swiginit(self, _IMP_core.new_EdgePairGeometry(pp))
2655 def get_version_info(self):
2656 r"""get_version_info(EdgePairGeometry self) -> VersionInfo"""
2657 return _IMP_core.EdgePairGeometry_get_version_info(self)
2658 __swig_destroy__ = _IMP_core.delete_EdgePairGeometry
2661 r"""__str__(EdgePairGeometry self) -> std::string"""
2662 return _IMP_core.EdgePairGeometry___str__(self)
2665 r"""__repr__(EdgePairGeometry self) -> std::string"""
2666 return _IMP_core.EdgePairGeometry___repr__(self)
2670 return _object_cast_to_EdgePairGeometry(o)
2674 _IMP_core.EdgePairGeometry_swigregister(EdgePairGeometry)
2676 r"""Proxy of C++ IMP::core::EdgePairsGeometry class."""
2678 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2680 def __init__(self, sc):
2681 r"""__init__(EdgePairsGeometry self, PairContainer sc) -> EdgePairsGeometry"""
2682 _IMP_core.EdgePairsGeometry_swiginit(self, _IMP_core.new_EdgePairsGeometry(sc))
2684 def get_version_info(self):
2685 r"""get_version_info(EdgePairsGeometry self) -> VersionInfo"""
2686 return _IMP_core.EdgePairsGeometry_get_version_info(self)
2687 __swig_destroy__ = _IMP_core.delete_EdgePairsGeometry
2690 r"""__str__(EdgePairsGeometry self) -> std::string"""
2691 return _IMP_core.EdgePairsGeometry___str__(self)
2694 r"""__repr__(EdgePairsGeometry self) -> std::string"""
2695 return _IMP_core.EdgePairsGeometry___repr__(self)
2699 return _object_cast_to_EdgePairsGeometry(o)
2703 _IMP_core.EdgePairsGeometry_swigregister(EdgePairsGeometry)
2705 r"""Proxy of C++ IMP::core::Direction class."""
2707 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2710 def do_setup_particle(m, pi, v):
2711 r"""do_setup_particle(Model m, ParticleIndex pi, Vector3D v)"""
2712 return _IMP_core.Direction_do_setup_particle(m, pi, v)
2714 def __init__(self, *args):
2716 __init__(Direction self) -> Direction
2717 __init__(Direction self, Model m, ParticleIndex id) -> Direction
2718 __init__(Direction self, _ParticleAdaptor d) -> Direction
2720 _IMP_core.Direction_swiginit(self, _IMP_core.new_Direction(*args))
2722 def show(self, *args):
2723 r"""show(Direction self, _ostream out=std::cout)"""
2724 return _IMP_core.Direction_show(self, *args)
2727 def setup_particle(*args):
2729 setup_particle(Model m, ParticleIndex pi, Vector3D v) -> Direction
2730 setup_particle(_ParticleAdaptor pa, Vector3D v) -> Direction
2732 return _IMP_core.Direction_setup_particle(*args)
2735 def get_is_setup(*args):
2737 get_is_setup(_ParticleAdaptor p) -> bool
2738 get_is_setup(Model m, ParticleIndex pi) -> bool
2740 return _IMP_core.Direction_get_is_setup(*args)
2743 def get_direction_key(i):
2744 r"""get_direction_key(unsigned int i) -> FloatKey"""
2745 return _IMP_core.Direction_get_direction_key(i)
2747 def get_direction_derivative(self, i):
2748 r"""get_direction_derivative(Direction self, int i) -> IMP::Float"""
2749 return _IMP_core.Direction_get_direction_derivative(self, i)
2751 def get_direction_derivatives(self):
2752 r"""get_direction_derivatives(Direction self) -> Vector3D"""
2753 return _IMP_core.Direction_get_direction_derivatives(self)
2755 def add_to_direction_derivative(self, i, v, d):
2756 r"""add_to_direction_derivative(Direction self, int i, IMP::Float v, DerivativeAccumulator d)"""
2757 return _IMP_core.Direction_add_to_direction_derivative(self, i, v, d)
2759 def add_to_direction_derivatives(self, v, d):
2760 r"""add_to_direction_derivatives(Direction self, Vector3D v, DerivativeAccumulator d)"""
2761 return _IMP_core.Direction_add_to_direction_derivatives(self, v, d)
2763 def get_direction_is_optimized(self):
2764 r"""get_direction_is_optimized(Direction self) -> bool"""
2765 return _IMP_core.Direction_get_direction_is_optimized(self)
2767 def set_direction_is_optimized(self, tf):
2768 r"""set_direction_is_optimized(Direction self, bool tf)"""
2769 return _IMP_core.Direction_set_direction_is_optimized(self, tf)
2771 def get_direction(self):
2772 r"""get_direction(Direction self) -> Vector3D"""
2773 return _IMP_core.Direction_get_direction(self)
2775 def set_direction(self, v):
2776 r"""set_direction(Direction self, Vector3D v)"""
2777 return _IMP_core.Direction_set_direction(self, v)
2780 r"""reflect(Direction self)"""
2781 return _IMP_core.Direction_reflect(self)
2783 def add_attribute(self, *args):
2785 add_attribute(Direction self, FloatKey k, IMP::Float v, bool opt)
2786 add_attribute(Direction self, FloatKey a0, IMP::Float a1)
2787 add_attribute(Direction self, IntKey a0, IMP::Int a1)
2788 add_attribute(Direction self, FloatsKey a0, IMP::Floats a1)
2789 add_attribute(Direction self, IntsKey a0, IMP::Ints a1)
2790 add_attribute(Direction self, StringKey a0, IMP::String a1)
2791 add_attribute(Direction self, ParticleIndexKey a0, Particle a1)
2792 add_attribute(Direction self, ObjectKey a0, Object a1)
2793 add_attribute(Direction self, SparseFloatKey a0, IMP::Float a1)
2794 add_attribute(Direction self, SparseIntKey a0, IMP::Int a1)
2795 add_attribute(Direction self, SparseStringKey a0, IMP::String a1)
2796 add_attribute(Direction self, SparseParticleIndexKey a0, ParticleIndex a1)
2798 return _IMP_core.Direction_add_attribute(self, *args)
2800 def get_value(self, *args):
2802 get_value(Direction self, FloatKey a0) -> IMP::Float
2803 get_value(Direction self, IntKey a0) -> IMP::Int
2804 get_value(Direction self, FloatsKey a0) -> IMP::Floats
2805 get_value(Direction self, IntsKey a0) -> IMP::Ints
2806 get_value(Direction self, StringKey a0) -> IMP::String
2807 get_value(Direction self, ParticleIndexKey a0) -> Particle
2808 get_value(Direction self, ObjectKey a0) -> Object
2809 get_value(Direction self, SparseFloatKey a0) -> IMP::Float
2810 get_value(Direction self, SparseIntKey a0) -> IMP::Int
2811 get_value(Direction self, SparseStringKey a0) -> IMP::String
2812 get_value(Direction self, SparseParticleIndexKey a0) -> ParticleIndex
2814 return _IMP_core.Direction_get_value(self, *args)
2816 def set_value(self, *args):
2818 set_value(Direction self, FloatKey a0, IMP::Float a1)
2819 set_value(Direction self, IntKey a0, IMP::Int a1)
2820 set_value(Direction self, FloatsKey a0, IMP::Floats a1)
2821 set_value(Direction self, IntsKey a0, IMP::Ints a1)
2822 set_value(Direction self, StringKey a0, IMP::String a1)
2823 set_value(Direction self, ParticleIndexKey a0, Particle a1)
2824 set_value(Direction self, ObjectKey a0, Object a1)
2825 set_value(Direction self, SparseFloatKey a0, IMP::Float a1)
2826 set_value(Direction self, SparseIntKey a0, IMP::Int a1)
2827 set_value(Direction self, SparseStringKey a0, IMP::String a1)
2828 set_value(Direction self, SparseParticleIndexKey a0, ParticleIndex a1)
2830 return _IMP_core.Direction_set_value(self, *args)
2832 def remove_attribute(self, *args):
2834 remove_attribute(Direction self, FloatKey a0)
2835 remove_attribute(Direction self, IntKey a0)
2836 remove_attribute(Direction self, FloatsKey a0)
2837 remove_attribute(Direction self, IntsKey a0)
2838 remove_attribute(Direction self, StringKey a0)
2839 remove_attribute(Direction self, ParticleIndexKey a0)
2840 remove_attribute(Direction self, ObjectKey a0)
2841 remove_attribute(Direction self, SparseFloatKey a0)
2842 remove_attribute(Direction self, SparseIntKey a0)
2843 remove_attribute(Direction self, SparseStringKey a0)
2844 remove_attribute(Direction self, SparseParticleIndexKey a0)
2846 return _IMP_core.Direction_remove_attribute(self, *args)
2848 def has_attribute(self, *args):
2850 has_attribute(Direction self, FloatKey a0) -> bool
2851 has_attribute(Direction self, IntKey a0) -> bool
2852 has_attribute(Direction self, FloatsKey a0) -> bool
2853 has_attribute(Direction self, IntsKey a0) -> bool
2854 has_attribute(Direction self, StringKey a0) -> bool
2855 has_attribute(Direction self, ParticleIndexKey a0) -> bool
2856 has_attribute(Direction self, ObjectKey a0) -> bool
2857 has_attribute(Direction self, SparseFloatKey a0) -> bool
2858 has_attribute(Direction self, SparseIntKey a0) -> bool
2859 has_attribute(Direction self, SparseStringKey a0) -> bool
2860 has_attribute(Direction self, SparseParticleIndexKey a0) -> bool
2862 return _IMP_core.Direction_has_attribute(self, *args)
2864 def get_derivative(self, a0):
2865 r"""get_derivative(Direction self, FloatKey a0) -> double"""
2866 return _IMP_core.Direction_get_derivative(self, a0)
2869 r"""get_name(Direction self) -> std::string"""
2870 return _IMP_core.Direction_get_name(self)
2872 def clear_caches(self):
2873 r"""clear_caches(Direction self)"""
2874 return _IMP_core.Direction_clear_caches(self)
2876 def set_name(self, a0):
2877 r"""set_name(Direction self, std::string a0)"""
2878 return _IMP_core.Direction_set_name(self, a0)
2881 r"""set_check_level(Direction self, IMP::CheckLevel a0)"""
2882 return _IMP_core.Direction_set_check_level(self, a0)
2884 def add_to_derivative(self, a0, a1, a2):
2885 r"""add_to_derivative(Direction self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2886 return _IMP_core.Direction_add_to_derivative(self, a0, a1, a2)
2888 def set_is_optimized(self, a0, a1):
2889 r"""set_is_optimized(Direction self, FloatKey a0, bool a1)"""
2890 return _IMP_core.Direction_set_is_optimized(self, a0, a1)
2892 def get_is_optimized(self, a0):
2893 r"""get_is_optimized(Direction self, FloatKey a0) -> bool"""
2894 return _IMP_core.Direction_get_is_optimized(self, a0)
2897 r"""get_check_level(Direction self) -> IMP::CheckLevel"""
2898 return _IMP_core.Direction_get_check_level(self)
2900 def __eq__(self, *args):
2902 __eq__(Direction self, Direction o) -> bool
2903 __eq__(Direction self, Particle d) -> bool
2905 return _IMP_core.Direction___eq__(self, *args)
2907 def __ne__(self, *args):
2909 __ne__(Direction self, Direction o) -> bool
2910 __ne__(Direction self, Particle d) -> bool
2912 return _IMP_core.Direction___ne__(self, *args)
2914 def __le__(self, *args):
2916 __le__(Direction self, Direction o) -> bool
2917 __le__(Direction self, Particle d) -> bool
2919 return _IMP_core.Direction___le__(self, *args)
2921 def __lt__(self, *args):
2923 __lt__(Direction self, Direction o) -> bool
2924 __lt__(Direction self, Particle d) -> bool
2926 return _IMP_core.Direction___lt__(self, *args)
2928 def __ge__(self, *args):
2930 __ge__(Direction self, Direction o) -> bool
2931 __ge__(Direction self, Particle d) -> bool
2933 return _IMP_core.Direction___ge__(self, *args)
2935 def __gt__(self, *args):
2937 __gt__(Direction self, Direction o) -> bool
2938 __gt__(Direction self, Particle d) -> bool
2940 return _IMP_core.Direction___gt__(self, *args)
2943 r"""__hash__(Direction self) -> std::size_t"""
2944 return _IMP_core.Direction___hash__(self)
2947 r"""__str__(Direction self) -> std::string"""
2948 return _IMP_core.Direction___str__(self)
2951 r"""__repr__(Direction self) -> std::string"""
2952 return _IMP_core.Direction___repr__(self)
2954 def _get_as_binary(self):
2955 r"""_get_as_binary(Direction self) -> PyObject *"""
2956 return _IMP_core.Direction__get_as_binary(self)
2958 def _set_from_binary(self, p):
2959 r"""_set_from_binary(Direction self, PyObject * p)"""
2960 return _IMP_core.Direction__set_from_binary(self, p)
2962 def __getstate__(self):
2963 p = self._get_as_binary()
2964 if len(self.__dict__) > 1:
2965 d = self.__dict__.copy()
2970 def __setstate__(self, p):
2971 if not hasattr(self,
'this'):
2973 if isinstance(p, tuple):
2975 self.__dict__.update(d)
2976 return self._set_from_binary(p)
2978 __swig_destroy__ = _IMP_core.delete_Direction
2981 _IMP_core.Direction_swigregister(Direction)
2984 r"""get_angle(Direction a, Direction b) -> double"""
2985 return _IMP_core.get_angle(a, b)
2987 r"""Proxy of C++ IMP::core::DirectionAngle class."""
2989 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2991 def __init__(self, *args):
2993 __init__(DirectionAngle self) -> DirectionAngle
2994 __init__(DirectionAngle self, Model m, ParticleIndex id) -> DirectionAngle
2995 __init__(DirectionAngle self, _ParticleAdaptor d) -> DirectionAngle
2997 _IMP_core.DirectionAngle_swiginit(self, _IMP_core.new_DirectionAngle(*args))
2999 def show(self, *args):
3000 r"""show(DirectionAngle self, _ostream out=std::cout)"""
3001 return _IMP_core.DirectionAngle_show(self, *args)
3004 def setup_particle(*args):
3006 setup_particle(Model m, ParticleIndex pi, IMP::ParticleIndexPair ds) -> DirectionAngle
3007 setup_particle(_ParticleAdaptor pa, IMP::ParticleIndexPair ds) -> DirectionAngle
3008 setup_particle(Model m, ParticleIndex pi, _ParticleIndexAdaptor d0, _ParticleIndexAdaptor d1) -> DirectionAngle
3009 setup_particle(_ParticleAdaptor pa, _ParticleIndexAdaptor d0, _ParticleIndexAdaptor d1) -> DirectionAngle
3011 return _IMP_core.DirectionAngle_setup_particle(*args)
3014 def get_is_setup(*args):
3016 get_is_setup(_ParticleAdaptor p) -> bool
3017 get_is_setup(Model m, ParticleIndex pi) -> bool
3019 return _IMP_core.DirectionAngle_get_is_setup(*args)
3022 def get_angle_key():
3023 r"""get_angle_key() -> FloatKey"""
3024 return _IMP_core.DirectionAngle_get_angle_key()
3027 def get_particle_key(i):
3028 r"""get_particle_key(unsigned int i) -> ParticleIndexKey"""
3029 return _IMP_core.DirectionAngle_get_particle_key(i)
3031 def get_particle(self, *args):
3033 get_particle(DirectionAngle self, unsigned int i) -> Particle
3034 get_particle(DirectionAngle self) -> Particle
3036 return _IMP_core.DirectionAngle_get_particle(self, *args)
3038 def get_particle_index(self, *args):
3040 get_particle_index(DirectionAngle self, unsigned int i) -> ParticleIndex
3041 get_particle_index(DirectionAngle self) -> ParticleIndex
3043 return _IMP_core.DirectionAngle_get_particle_index(self, *args)
3046 r"""get_angle(DirectionAngle self) -> IMP::Float"""
3047 return _IMP_core.DirectionAngle_get_angle(self)
3049 def get_angle_derivative(self):
3050 r"""get_angle_derivative(DirectionAngle self) -> IMP::Float"""
3051 return _IMP_core.DirectionAngle_get_angle_derivative(self)
3053 def add_to_angle_derivative(self, v, d):
3054 r"""add_to_angle_derivative(DirectionAngle self, IMP::Float v, DerivativeAccumulator d)"""
3055 return _IMP_core.DirectionAngle_add_to_angle_derivative(self, v, d)
3057 def add_attribute(self, *args):
3059 add_attribute(DirectionAngle self, FloatKey k, IMP::Float v, bool opt)
3060 add_attribute(DirectionAngle self, FloatKey a0, IMP::Float a1)
3061 add_attribute(DirectionAngle self, IntKey a0, IMP::Int a1)
3062 add_attribute(DirectionAngle self, FloatsKey a0, IMP::Floats a1)
3063 add_attribute(DirectionAngle self, IntsKey a0, IMP::Ints a1)
3064 add_attribute(DirectionAngle self, StringKey a0, IMP::String a1)
3065 add_attribute(DirectionAngle self, ParticleIndexKey a0, Particle a1)
3066 add_attribute(DirectionAngle self, ObjectKey a0, Object a1)
3067 add_attribute(DirectionAngle self, SparseFloatKey a0, IMP::Float a1)
3068 add_attribute(DirectionAngle self, SparseIntKey a0, IMP::Int a1)
3069 add_attribute(DirectionAngle self, SparseStringKey a0, IMP::String a1)
3070 add_attribute(DirectionAngle self, SparseParticleIndexKey a0, ParticleIndex a1)
3072 return _IMP_core.DirectionAngle_add_attribute(self, *args)
3074 def get_value(self, *args):
3076 get_value(DirectionAngle self, FloatKey a0) -> IMP::Float
3077 get_value(DirectionAngle self, IntKey a0) -> IMP::Int
3078 get_value(DirectionAngle self, FloatsKey a0) -> IMP::Floats
3079 get_value(DirectionAngle self, IntsKey a0) -> IMP::Ints
3080 get_value(DirectionAngle self, StringKey a0) -> IMP::String
3081 get_value(DirectionAngle self, ParticleIndexKey a0) -> Particle
3082 get_value(DirectionAngle self, ObjectKey a0) -> Object
3083 get_value(DirectionAngle self, SparseFloatKey a0) -> IMP::Float
3084 get_value(DirectionAngle self, SparseIntKey a0) -> IMP::Int
3085 get_value(DirectionAngle self, SparseStringKey a0) -> IMP::String
3086 get_value(DirectionAngle self, SparseParticleIndexKey a0) -> ParticleIndex
3088 return _IMP_core.DirectionAngle_get_value(self, *args)
3090 def set_value(self, *args):
3092 set_value(DirectionAngle self, FloatKey a0, IMP::Float a1)
3093 set_value(DirectionAngle self, IntKey a0, IMP::Int a1)
3094 set_value(DirectionAngle self, FloatsKey a0, IMP::Floats a1)
3095 set_value(DirectionAngle self, IntsKey a0, IMP::Ints a1)
3096 set_value(DirectionAngle self, StringKey a0, IMP::String a1)
3097 set_value(DirectionAngle self, ParticleIndexKey a0, Particle a1)
3098 set_value(DirectionAngle self, ObjectKey a0, Object a1)
3099 set_value(DirectionAngle self, SparseFloatKey a0, IMP::Float a1)
3100 set_value(DirectionAngle self, SparseIntKey a0, IMP::Int a1)
3101 set_value(DirectionAngle self, SparseStringKey a0, IMP::String a1)
3102 set_value(DirectionAngle self, SparseParticleIndexKey a0, ParticleIndex a1)
3104 return _IMP_core.DirectionAngle_set_value(self, *args)
3106 def remove_attribute(self, *args):
3108 remove_attribute(DirectionAngle self, FloatKey a0)
3109 remove_attribute(DirectionAngle self, IntKey a0)
3110 remove_attribute(DirectionAngle self, FloatsKey a0)
3111 remove_attribute(DirectionAngle self, IntsKey a0)
3112 remove_attribute(DirectionAngle self, StringKey a0)
3113 remove_attribute(DirectionAngle self, ParticleIndexKey a0)
3114 remove_attribute(DirectionAngle self, ObjectKey a0)
3115 remove_attribute(DirectionAngle self, SparseFloatKey a0)
3116 remove_attribute(DirectionAngle self, SparseIntKey a0)
3117 remove_attribute(DirectionAngle self, SparseStringKey a0)
3118 remove_attribute(DirectionAngle self, SparseParticleIndexKey a0)
3120 return _IMP_core.DirectionAngle_remove_attribute(self, *args)
3122 def has_attribute(self, *args):
3124 has_attribute(DirectionAngle self, FloatKey a0) -> bool
3125 has_attribute(DirectionAngle self, IntKey a0) -> bool
3126 has_attribute(DirectionAngle self, FloatsKey a0) -> bool
3127 has_attribute(DirectionAngle self, IntsKey a0) -> bool
3128 has_attribute(DirectionAngle self, StringKey a0) -> bool
3129 has_attribute(DirectionAngle self, ParticleIndexKey a0) -> bool
3130 has_attribute(DirectionAngle self, ObjectKey a0) -> bool
3131 has_attribute(DirectionAngle self, SparseFloatKey a0) -> bool
3132 has_attribute(DirectionAngle self, SparseIntKey a0) -> bool
3133 has_attribute(DirectionAngle self, SparseStringKey a0) -> bool
3134 has_attribute(DirectionAngle self, SparseParticleIndexKey a0) -> bool
3136 return _IMP_core.DirectionAngle_has_attribute(self, *args)
3138 def get_derivative(self, a0):
3139 r"""get_derivative(DirectionAngle self, FloatKey a0) -> double"""
3140 return _IMP_core.DirectionAngle_get_derivative(self, a0)
3143 r"""get_name(DirectionAngle self) -> std::string"""
3144 return _IMP_core.DirectionAngle_get_name(self)
3146 def clear_caches(self):
3147 r"""clear_caches(DirectionAngle self)"""
3148 return _IMP_core.DirectionAngle_clear_caches(self)
3150 def set_name(self, a0):
3151 r"""set_name(DirectionAngle self, std::string a0)"""
3152 return _IMP_core.DirectionAngle_set_name(self, a0)
3155 r"""set_check_level(DirectionAngle self, IMP::CheckLevel a0)"""
3156 return _IMP_core.DirectionAngle_set_check_level(self, a0)
3158 def add_to_derivative(self, a0, a1, a2):
3159 r"""add_to_derivative(DirectionAngle self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3160 return _IMP_core.DirectionAngle_add_to_derivative(self, a0, a1, a2)
3162 def set_is_optimized(self, a0, a1):
3163 r"""set_is_optimized(DirectionAngle self, FloatKey a0, bool a1)"""
3164 return _IMP_core.DirectionAngle_set_is_optimized(self, a0, a1)
3166 def get_is_optimized(self, a0):
3167 r"""get_is_optimized(DirectionAngle self, FloatKey a0) -> bool"""
3168 return _IMP_core.DirectionAngle_get_is_optimized(self, a0)
3171 r"""get_check_level(DirectionAngle self) -> IMP::CheckLevel"""
3172 return _IMP_core.DirectionAngle_get_check_level(self)
3174 def __eq__(self, *args):
3176 __eq__(DirectionAngle self, DirectionAngle o) -> bool
3177 __eq__(DirectionAngle self, Particle d) -> bool
3179 return _IMP_core.DirectionAngle___eq__(self, *args)
3181 def __ne__(self, *args):
3183 __ne__(DirectionAngle self, DirectionAngle o) -> bool
3184 __ne__(DirectionAngle self, Particle d) -> bool
3186 return _IMP_core.DirectionAngle___ne__(self, *args)
3188 def __le__(self, *args):
3190 __le__(DirectionAngle self, DirectionAngle o) -> bool
3191 __le__(DirectionAngle self, Particle d) -> bool
3193 return _IMP_core.DirectionAngle___le__(self, *args)
3195 def __lt__(self, *args):
3197 __lt__(DirectionAngle self, DirectionAngle o) -> bool
3198 __lt__(DirectionAngle self, Particle d) -> bool
3200 return _IMP_core.DirectionAngle___lt__(self, *args)
3202 def __ge__(self, *args):
3204 __ge__(DirectionAngle self, DirectionAngle o) -> bool
3205 __ge__(DirectionAngle self, Particle d) -> bool
3207 return _IMP_core.DirectionAngle___ge__(self, *args)
3209 def __gt__(self, *args):
3211 __gt__(DirectionAngle self, DirectionAngle o) -> bool
3212 __gt__(DirectionAngle self, Particle d) -> bool
3214 return _IMP_core.DirectionAngle___gt__(self, *args)
3217 r"""__hash__(DirectionAngle self) -> std::size_t"""
3218 return _IMP_core.DirectionAngle___hash__(self)
3221 r"""__str__(DirectionAngle self) -> std::string"""
3222 return _IMP_core.DirectionAngle___str__(self)
3225 r"""__repr__(DirectionAngle self) -> std::string"""
3226 return _IMP_core.DirectionAngle___repr__(self)
3228 def _get_as_binary(self):
3229 r"""_get_as_binary(DirectionAngle self) -> PyObject *"""
3230 return _IMP_core.DirectionAngle__get_as_binary(self)
3232 def _set_from_binary(self, p):
3233 r"""_set_from_binary(DirectionAngle self, PyObject * p)"""
3234 return _IMP_core.DirectionAngle__set_from_binary(self, p)
3236 def __getstate__(self):
3237 p = self._get_as_binary()
3238 if len(self.__dict__) > 1:
3239 d = self.__dict__.copy()
3244 def __setstate__(self, p):
3245 if not hasattr(self,
'this'):
3247 if isinstance(p, tuple):
3249 self.__dict__.update(d)
3250 return self._set_from_binary(p)
3252 __swig_destroy__ = _IMP_core.delete_DirectionAngle
3255 _IMP_core.DirectionAngle_swigregister(DirectionAngle)
3257 r"""Proxy of C++ IMP::core::Surface class."""
3259 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3262 def do_setup_particle(*args):
3264 do_setup_particle(Model m, ParticleIndex pi, Vector3D center=IMP::Vector3D(0, 0, 0), Vector3D normal=IMP::Vector3D(0, 0, 1))
3265 do_setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf)
3267 return _IMP_core.Surface_do_setup_particle(*args)
3269 def __init__(self, *args):
3271 __init__(Surface self) -> Surface
3272 __init__(Surface self, Model m, ParticleIndex id) -> Surface
3273 __init__(Surface self, _ParticleAdaptor d) -> Surface
3275 _IMP_core.Surface_swiginit(self, _IMP_core.new_Surface(*args))
3277 def show(self, *args):
3278 r"""show(Surface self, _ostream out=std::cout)"""
3279 return _IMP_core.Surface_show(self, *args)
3282 def setup_particle(*args):
3284 setup_particle(Model m, ParticleIndex pi) -> Surface
3285 setup_particle(_ParticleAdaptor pa) -> Surface
3286 setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf) -> Surface
3287 setup_particle(_ParticleAdaptor pa, ReferenceFrame3D rf) -> Surface
3288 setup_particle(Model m, ParticleIndex pi, Vector3D center) -> Surface
3289 setup_particle(_ParticleAdaptor pa, Vector3D center) -> Surface
3290 setup_particle(Model m, ParticleIndex pi, Vector3D center, Vector3D normal) -> Surface
3291 setup_particle(_ParticleAdaptor pa, Vector3D center, Vector3D normal) -> Surface
3293 return _IMP_core.Surface_setup_particle(*args)
3295 def get_normal_x(self):
3296 r"""get_normal_x(Surface self) -> IMP::Float"""
3297 return _IMP_core.Surface_get_normal_x(self)
3299 def set_normal_x(self, t):
3300 r"""set_normal_x(Surface self, IMP::Float t)"""
3301 return _IMP_core.Surface_set_normal_x(self, t)
3303 def get_normal_y(self):
3304 r"""get_normal_y(Surface self) -> IMP::Float"""
3305 return _IMP_core.Surface_get_normal_y(self)
3307 def set_normal_y(self, t):
3308 r"""set_normal_y(Surface self, IMP::Float t)"""
3309 return _IMP_core.Surface_set_normal_y(self, t)
3311 def get_normal_z(self):
3312 r"""get_normal_z(Surface self) -> IMP::Float"""
3313 return _IMP_core.Surface_get_normal_z(self)
3315 def set_normal_z(self, t):
3316 r"""set_normal_z(Surface self, IMP::Float t)"""
3317 return _IMP_core.Surface_set_normal_z(self, t)
3320 def get_is_setup(*args):
3322 get_is_setup(_ParticleAdaptor p) -> bool
3323 get_is_setup(Model m, ParticleIndex pi) -> bool
3325 return _IMP_core.Surface_get_is_setup(*args)
3328 def get_normal_key(i):
3329 r"""get_normal_key(unsigned int i) -> FloatKey"""
3330 return _IMP_core.Surface_get_normal_key(i)
3332 def get_normal_derivative(self, i):
3333 r"""get_normal_derivative(Surface self, int i) -> IMP::Float"""
3334 return _IMP_core.Surface_get_normal_derivative(self, i)
3336 def get_normal_derivatives(self):
3337 r"""get_normal_derivatives(Surface self) -> Vector3D"""
3338 return _IMP_core.Surface_get_normal_derivatives(self)
3340 def add_to_normal_derivative(self, i, v, d):
3341 r"""add_to_normal_derivative(Surface self, int i, IMP::Float v, DerivativeAccumulator d)"""
3342 return _IMP_core.Surface_add_to_normal_derivative(self, i, v, d)
3344 def add_to_normal_derivatives(self, v, d):
3345 r"""add_to_normal_derivatives(Surface self, Vector3D v, DerivativeAccumulator d)"""
3346 return _IMP_core.Surface_add_to_normal_derivatives(self, v, d)
3348 def get_normal_is_optimized(self):
3349 r"""get_normal_is_optimized(Surface self) -> bool"""
3350 return _IMP_core.Surface_get_normal_is_optimized(self)
3352 def set_normal_is_optimized(self, tf):
3353 r"""set_normal_is_optimized(Surface self, bool tf)"""
3354 return _IMP_core.Surface_set_normal_is_optimized(self, tf)
3356 def get_normal(self):
3357 r"""get_normal(Surface self) -> Vector3D"""
3358 return _IMP_core.Surface_get_normal(self)
3360 def set_normal(self, normal):
3361 r"""set_normal(Surface self, Vector3D normal)"""
3362 return _IMP_core.Surface_set_normal(self, normal)
3365 r"""reflect(Surface self)"""
3366 return _IMP_core.Surface_reflect(self)
3369 r"""get_height(Surface self, Vector3D v) -> double"""
3370 return _IMP_core.Surface_get_height(self, v)
3373 r"""get_depth(Surface self, Vector3D v) -> double"""
3374 return _IMP_core.Surface_get_depth(self, v)
3376 def get_distance_to(self, v):
3377 r"""get_distance_to(Surface self, Vector3D v) -> double"""
3378 return _IMP_core.Surface_get_distance_to(self, v)
3380 def get_distance_to_center(self, v):
3381 r"""get_distance_to_center(Surface self, Vector3D v) -> double"""
3382 return _IMP_core.Surface_get_distance_to_center(self, v)
3384 def set_reference_frame(self, rf):
3385 r"""set_reference_frame(Surface self, ReferenceFrame3D rf)"""
3386 return _IMP_core.Surface_set_reference_frame(self, rf)
3388 def get_reference_frame(self):
3389 r"""get_reference_frame(Surface self) -> ReferenceFrame3D"""
3390 return _IMP_core.Surface_get_reference_frame(self)
3392 def get_plane(self):
3393 r"""get_plane(Surface self) -> Plane3D"""
3394 return _IMP_core.Surface_get_plane(self)
3396 def add_attribute(self, *args):
3398 add_attribute(Surface self, FloatKey k, IMP::Float v, bool opt)
3399 add_attribute(Surface self, FloatKey a0, IMP::Float a1)
3400 add_attribute(Surface self, IntKey a0, IMP::Int a1)
3401 add_attribute(Surface self, FloatsKey a0, IMP::Floats a1)
3402 add_attribute(Surface self, IntsKey a0, IMP::Ints a1)
3403 add_attribute(Surface self, StringKey a0, IMP::String a1)
3404 add_attribute(Surface self, ParticleIndexKey a0, Particle a1)
3405 add_attribute(Surface self, ObjectKey a0, Object a1)
3406 add_attribute(Surface self, SparseFloatKey a0, IMP::Float a1)
3407 add_attribute(Surface self, SparseIntKey a0, IMP::Int a1)
3408 add_attribute(Surface self, SparseStringKey a0, IMP::String a1)
3409 add_attribute(Surface self, SparseParticleIndexKey a0, ParticleIndex a1)
3411 return _IMP_core.Surface_add_attribute(self, *args)
3413 def get_value(self, *args):
3415 get_value(Surface self, FloatKey a0) -> IMP::Float
3416 get_value(Surface self, IntKey a0) -> IMP::Int
3417 get_value(Surface self, FloatsKey a0) -> IMP::Floats
3418 get_value(Surface self, IntsKey a0) -> IMP::Ints
3419 get_value(Surface self, StringKey a0) -> IMP::String
3420 get_value(Surface self, ParticleIndexKey a0) -> Particle
3421 get_value(Surface self, ObjectKey a0) -> Object
3422 get_value(Surface self, SparseFloatKey a0) -> IMP::Float
3423 get_value(Surface self, SparseIntKey a0) -> IMP::Int
3424 get_value(Surface self, SparseStringKey a0) -> IMP::String
3425 get_value(Surface self, SparseParticleIndexKey a0) -> ParticleIndex
3427 return _IMP_core.Surface_get_value(self, *args)
3429 def set_value(self, *args):
3431 set_value(Surface self, FloatKey a0, IMP::Float a1)
3432 set_value(Surface self, IntKey a0, IMP::Int a1)
3433 set_value(Surface self, FloatsKey a0, IMP::Floats a1)
3434 set_value(Surface self, IntsKey a0, IMP::Ints a1)
3435 set_value(Surface self, StringKey a0, IMP::String a1)
3436 set_value(Surface self, ParticleIndexKey a0, Particle a1)
3437 set_value(Surface self, ObjectKey a0, Object a1)
3438 set_value(Surface self, SparseFloatKey a0, IMP::Float a1)
3439 set_value(Surface self, SparseIntKey a0, IMP::Int a1)
3440 set_value(Surface self, SparseStringKey a0, IMP::String a1)
3441 set_value(Surface self, SparseParticleIndexKey a0, ParticleIndex a1)
3443 return _IMP_core.Surface_set_value(self, *args)
3445 def remove_attribute(self, *args):
3447 remove_attribute(Surface self, FloatKey a0)
3448 remove_attribute(Surface self, IntKey a0)
3449 remove_attribute(Surface self, FloatsKey a0)
3450 remove_attribute(Surface self, IntsKey a0)
3451 remove_attribute(Surface self, StringKey a0)
3452 remove_attribute(Surface self, ParticleIndexKey a0)
3453 remove_attribute(Surface self, ObjectKey a0)
3454 remove_attribute(Surface self, SparseFloatKey a0)
3455 remove_attribute(Surface self, SparseIntKey a0)
3456 remove_attribute(Surface self, SparseStringKey a0)
3457 remove_attribute(Surface self, SparseParticleIndexKey a0)
3459 return _IMP_core.Surface_remove_attribute(self, *args)
3461 def has_attribute(self, *args):
3463 has_attribute(Surface self, FloatKey a0) -> bool
3464 has_attribute(Surface self, IntKey a0) -> bool
3465 has_attribute(Surface self, FloatsKey a0) -> bool
3466 has_attribute(Surface self, IntsKey a0) -> bool
3467 has_attribute(Surface self, StringKey a0) -> bool
3468 has_attribute(Surface self, ParticleIndexKey a0) -> bool
3469 has_attribute(Surface self, ObjectKey a0) -> bool
3470 has_attribute(Surface self, SparseFloatKey a0) -> bool
3471 has_attribute(Surface self, SparseIntKey a0) -> bool
3472 has_attribute(Surface self, SparseStringKey a0) -> bool
3473 has_attribute(Surface self, SparseParticleIndexKey a0) -> bool
3475 return _IMP_core.Surface_has_attribute(self, *args)
3477 def get_derivative(self, a0):
3478 r"""get_derivative(Surface self, FloatKey a0) -> double"""
3479 return _IMP_core.Surface_get_derivative(self, a0)
3482 r"""get_name(Surface self) -> std::string"""
3483 return _IMP_core.Surface_get_name(self)
3485 def clear_caches(self):
3486 r"""clear_caches(Surface self)"""
3487 return _IMP_core.Surface_clear_caches(self)
3489 def set_name(self, a0):
3490 r"""set_name(Surface self, std::string a0)"""
3491 return _IMP_core.Surface_set_name(self, a0)
3494 r"""set_check_level(Surface self, IMP::CheckLevel a0)"""
3495 return _IMP_core.Surface_set_check_level(self, a0)
3497 def add_to_derivative(self, a0, a1, a2):
3498 r"""add_to_derivative(Surface self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3499 return _IMP_core.Surface_add_to_derivative(self, a0, a1, a2)
3501 def set_is_optimized(self, a0, a1):
3502 r"""set_is_optimized(Surface self, FloatKey a0, bool a1)"""
3503 return _IMP_core.Surface_set_is_optimized(self, a0, a1)
3505 def get_is_optimized(self, a0):
3506 r"""get_is_optimized(Surface self, FloatKey a0) -> bool"""
3507 return _IMP_core.Surface_get_is_optimized(self, a0)
3510 r"""get_check_level(Surface self) -> IMP::CheckLevel"""
3511 return _IMP_core.Surface_get_check_level(self)
3513 def __eq__(self, *args):
3515 __eq__(Surface self, Surface o) -> bool
3516 __eq__(Surface self, Particle d) -> bool
3518 return _IMP_core.Surface___eq__(self, *args)
3520 def __ne__(self, *args):
3522 __ne__(Surface self, Surface o) -> bool
3523 __ne__(Surface self, Particle d) -> bool
3525 return _IMP_core.Surface___ne__(self, *args)
3527 def __le__(self, *args):
3529 __le__(Surface self, Surface o) -> bool
3530 __le__(Surface self, Particle d) -> bool
3532 return _IMP_core.Surface___le__(self, *args)
3534 def __lt__(self, *args):
3536 __lt__(Surface self, Surface o) -> bool
3537 __lt__(Surface self, Particle d) -> bool
3539 return _IMP_core.Surface___lt__(self, *args)
3541 def __ge__(self, *args):
3543 __ge__(Surface self, Surface o) -> bool
3544 __ge__(Surface self, Particle d) -> bool
3546 return _IMP_core.Surface___ge__(self, *args)
3548 def __gt__(self, *args):
3550 __gt__(Surface self, Surface o) -> bool
3551 __gt__(Surface self, Particle d) -> bool
3553 return _IMP_core.Surface___gt__(self, *args)
3556 r"""__hash__(Surface self) -> std::size_t"""
3557 return _IMP_core.Surface___hash__(self)
3560 r"""__str__(Surface self) -> std::string"""
3561 return _IMP_core.Surface___str__(self)
3564 r"""__repr__(Surface self) -> std::string"""
3565 return _IMP_core.Surface___repr__(self)
3567 def _get_as_binary(self):
3568 r"""_get_as_binary(Surface self) -> PyObject *"""
3569 return _IMP_core.Surface__get_as_binary(self)
3571 def _set_from_binary(self, p):
3572 r"""_set_from_binary(Surface self, PyObject * p)"""
3573 return _IMP_core.Surface__set_from_binary(self, p)
3575 def __getstate__(self):
3576 p = self._get_as_binary()
3577 if len(self.__dict__) > 1:
3578 d = self.__dict__.copy()
3583 def __setstate__(self, p):
3584 if not hasattr(self,
'this'):
3586 if isinstance(p, tuple):
3588 self.__dict__.update(d)
3589 return self._set_from_binary(p)
3591 __swig_destroy__ = _IMP_core.delete_Surface
3594 _IMP_core.Surface_swigregister(Surface)
3598 get_height(Surface s, XYZR d) -> double
3599 get_height(Surface s, XYZ d) -> double
3601 return _IMP_core.get_height(*args)
3605 get_depth(Surface s, XYZR d) -> double
3606 get_depth(Surface s, XYZ d) -> double
3608 return _IMP_core.get_depth(*args)
3612 get_distance(XYZ a, XYZ b) -> double
3613 get_distance(XYZR a, XYZR b) -> double
3614 get_distance(Surface s, XYZR d) -> double
3615 get_distance(Surface s, XYZ d) -> double
3617 return _IMP_core.get_distance(*args)
3619 r"""Proxy of C++ IMP::core::SurfaceGeometry class."""
3621 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3623 def __init__(self, *args):
3625 __init__(SurfaceGeometry self, std::string n="SurfaceGeometry") -> SurfaceGeometry
3626 __init__(SurfaceGeometry self, Surface s, std::string const n="SurfaceGeometry") -> SurfaceGeometry
3627 __init__(SurfaceGeometry self, Surface s, Color c, std::string n="SurfaceGeometry") -> SurfaceGeometry
3629 _IMP_core.SurfaceGeometry_swiginit(self, _IMP_core.new_SurfaceGeometry(*args))
3631 def get_geometry(self):
3632 r"""get_geometry(SurfaceGeometry self) -> Surface"""
3633 return _IMP_core.SurfaceGeometry_get_geometry(self)
3635 def set_geometry(self, s):
3636 r"""set_geometry(SurfaceGeometry self, Surface s)"""
3637 return _IMP_core.SurfaceGeometry_set_geometry(self, s)
3639 def get_version_info(self):
3640 r"""get_version_info(SurfaceGeometry self) -> VersionInfo"""
3641 return _IMP_core.SurfaceGeometry_get_version_info(self)
3642 __swig_destroy__ = _IMP_core.delete_SurfaceGeometry
3645 r"""__str__(SurfaceGeometry self) -> std::string"""
3646 return _IMP_core.SurfaceGeometry___str__(self)
3649 r"""__repr__(SurfaceGeometry self) -> std::string"""
3650 return _IMP_core.SurfaceGeometry___repr__(self)
3654 return _object_cast_to_SurfaceGeometry(o)
3658 _IMP_core.SurfaceGeometry_swigregister(SurfaceGeometry)
3661 r"""create_geometry(Surface s, std::string name=std::string("SurfaceGeometry%1%")) -> SurfaceGeometry"""
3662 return _IMP_core.create_geometry(*args)
3664 r"""Proxy of C++ IMP::core::SurfaceGeometryConstraint class."""
3666 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3668 def __init__(self, s, g):
3669 r"""__init__(SurfaceGeometryConstraint self, Surface s, SurfaceGeometry g) -> SurfaceGeometryConstraint"""
3670 _IMP_core.SurfaceGeometryConstraint_swiginit(self, _IMP_core.new_SurfaceGeometryConstraint(s, g))
3672 def get_surface(self):
3673 r"""get_surface(SurfaceGeometryConstraint self) -> Surface"""
3674 return _IMP_core.SurfaceGeometryConstraint_get_surface(self)
3676 def get_geometry(self):
3677 r"""get_geometry(SurfaceGeometryConstraint self) -> SurfaceGeometry"""
3678 return _IMP_core.SurfaceGeometryConstraint_get_geometry(self)
3680 def do_get_inputs(self):
3681 r"""do_get_inputs(SurfaceGeometryConstraint self) -> IMP::ModelObjectsTemp"""
3682 return _IMP_core.SurfaceGeometryConstraint_do_get_inputs(self)
3684 def do_get_outputs(self):
3685 r"""do_get_outputs(SurfaceGeometryConstraint self) -> IMP::ModelObjectsTemp"""
3686 return _IMP_core.SurfaceGeometryConstraint_do_get_outputs(self)
3688 def get_version_info(self):
3689 r"""get_version_info(SurfaceGeometryConstraint self) -> VersionInfo"""
3690 return _IMP_core.SurfaceGeometryConstraint_get_version_info(self)
3691 __swig_destroy__ = _IMP_core.delete_SurfaceGeometryConstraint
3694 r"""__str__(SurfaceGeometryConstraint self) -> std::string"""
3695 return _IMP_core.SurfaceGeometryConstraint___str__(self)
3698 r"""__repr__(SurfaceGeometryConstraint self) -> std::string"""
3699 return _IMP_core.SurfaceGeometryConstraint___repr__(self)
3703 return _object_cast_to_SurfaceGeometryConstraint(o)
3707 _IMP_core.SurfaceGeometryConstraint_swigregister(SurfaceGeometryConstraint)
3710 r"""get_constrained_surface_geometry(Surface s, std::string name="SurfaceGeometry%1%") -> SurfaceGeometry"""
3711 return _IMP_core.get_constrained_surface_geometry(*args)
3713 r"""Proxy of C++ IMP::core::LateralSurfaceConstraint class."""
3715 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3717 def __init__(self, s, d):
3718 r"""__init__(LateralSurfaceConstraint self, Surface s, XYZ d) -> LateralSurfaceConstraint"""
3719 _IMP_core.LateralSurfaceConstraint_swiginit(self, _IMP_core.new_LateralSurfaceConstraint(s, d))
3721 def do_get_inputs(self):
3722 r"""do_get_inputs(LateralSurfaceConstraint self) -> IMP::ModelObjectsTemp"""
3723 return _IMP_core.LateralSurfaceConstraint_do_get_inputs(self)
3725 def do_get_outputs(self):
3726 r"""do_get_outputs(LateralSurfaceConstraint self) -> IMP::ModelObjectsTemp"""
3727 return _IMP_core.LateralSurfaceConstraint_do_get_outputs(self)
3729 def get_version_info(self):
3730 r"""get_version_info(LateralSurfaceConstraint self) -> VersionInfo"""
3731 return _IMP_core.LateralSurfaceConstraint_get_version_info(self)
3732 __swig_destroy__ = _IMP_core.delete_LateralSurfaceConstraint
3735 r"""__str__(LateralSurfaceConstraint self) -> std::string"""
3736 return _IMP_core.LateralSurfaceConstraint___str__(self)
3739 r"""__repr__(LateralSurfaceConstraint self) -> std::string"""
3740 return _IMP_core.LateralSurfaceConstraint___repr__(self)
3744 return _object_cast_to_LateralSurfaceConstraint(o)
3748 _IMP_core.LateralSurfaceConstraint_swigregister(LateralSurfaceConstraint)
3750 r"""Proxy of C++ IMP::core::AngleTripletScore class."""
3752 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3754 def __init__(self, *args):
3756 __init__(AngleTripletScore self, UnaryFunction f) -> AngleTripletScore
3757 __init__(AngleTripletScore self) -> AngleTripletScore
3759 _IMP_core.AngleTripletScore_swiginit(self, _IMP_core.new_AngleTripletScore(*args))
3761 def do_get_inputs(self, m, pis):
3762 r"""do_get_inputs(AngleTripletScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3763 return _IMP_core.AngleTripletScore_do_get_inputs(self, m, pis)
3765 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
3766 r"""evaluate_indexes(AngleTripletScore self, Model m, IMP::ParticleIndexTriplets const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
3767 return _IMP_core.AngleTripletScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
3769 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
3770 r"""evaluate_indexes_scores(AngleTripletScore self, Model m, IMP::ParticleIndexTriplets const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
3771 return _IMP_core.AngleTripletScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
3773 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
3774 r"""evaluate_indexes_delta(AngleTripletScore self, Model m, IMP::ParticleIndexTriplets const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
3775 return _IMP_core.AngleTripletScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
3777 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3778 r"""evaluate_if_good_indexes(AngleTripletScore self, Model m, IMP::ParticleIndexTriplets const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
3779 return _IMP_core.AngleTripletScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3781 def get_version_info(self):
3782 r"""get_version_info(AngleTripletScore self) -> VersionInfo"""
3783 return _IMP_core.AngleTripletScore_get_version_info(self)
3784 __swig_destroy__ = _IMP_core.delete_AngleTripletScore
3787 r"""__str__(AngleTripletScore self) -> std::string"""
3788 return _IMP_core.AngleTripletScore___str__(self)
3791 r"""__repr__(AngleTripletScore self) -> std::string"""
3792 return _IMP_core.AngleTripletScore___repr__(self)
3796 return _object_cast_to_AngleTripletScore(o)
3799 def _get_as_binary(self):
3800 r"""_get_as_binary(AngleTripletScore self) -> PyObject *"""
3801 return _IMP_core.AngleTripletScore__get_as_binary(self)
3803 def _set_from_binary(self, p):
3804 r"""_set_from_binary(AngleTripletScore self, PyObject * p)"""
3805 return _IMP_core.AngleTripletScore__set_from_binary(self, p)
3807 def __getstate__(self):
3808 p = self._get_as_binary()
3809 if len(self.__dict__) > 1:
3810 d = self.__dict__.copy()
3815 def __setstate__(self, p):
3816 if not hasattr(self,
'this'):
3818 if isinstance(p, tuple):
3820 self.__dict__.update(d)
3821 return self._set_from_binary(p)
3825 _IMP_core.AngleTripletScore_swigregister(AngleTripletScore)
3827 r"""Proxy of C++ IMP::core::DihedralQuadScore class."""
3829 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3831 def __init__(self, *args):
3833 __init__(DihedralQuadScore self, UnaryFunction f) -> DihedralQuadScore
3834 __init__(DihedralQuadScore self) -> DihedralQuadScore
3836 _IMP_core.DihedralQuadScore_swiginit(self, _IMP_core.new_DihedralQuadScore(*args))
3838 def do_get_inputs(self, m, pis):
3839 r"""do_get_inputs(DihedralQuadScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3840 return _IMP_core.DihedralQuadScore_do_get_inputs(self, m, pis)
3842 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
3843 r"""evaluate_indexes(DihedralQuadScore self, Model m, IMP::ParticleIndexQuads const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
3844 return _IMP_core.DihedralQuadScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
3846 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
3847 r"""evaluate_indexes_scores(DihedralQuadScore self, Model m, IMP::ParticleIndexQuads const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
3848 return _IMP_core.DihedralQuadScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
3850 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
3851 r"""evaluate_indexes_delta(DihedralQuadScore self, Model m, IMP::ParticleIndexQuads const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
3852 return _IMP_core.DihedralQuadScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
3854 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3855 r"""evaluate_if_good_indexes(DihedralQuadScore self, Model m, IMP::ParticleIndexQuads const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
3856 return _IMP_core.DihedralQuadScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3858 def get_version_info(self):
3859 r"""get_version_info(DihedralQuadScore self) -> VersionInfo"""
3860 return _IMP_core.DihedralQuadScore_get_version_info(self)
3861 __swig_destroy__ = _IMP_core.delete_DihedralQuadScore
3864 r"""__str__(DihedralQuadScore self) -> std::string"""
3865 return _IMP_core.DihedralQuadScore___str__(self)
3868 r"""__repr__(DihedralQuadScore self) -> std::string"""
3869 return _IMP_core.DihedralQuadScore___repr__(self)
3873 return _object_cast_to_DihedralQuadScore(o)
3876 def _get_as_binary(self):
3877 r"""_get_as_binary(DihedralQuadScore self) -> PyObject *"""
3878 return _IMP_core.DihedralQuadScore__get_as_binary(self)
3880 def _set_from_binary(self, p):
3881 r"""_set_from_binary(DihedralQuadScore self, PyObject * p)"""
3882 return _IMP_core.DihedralQuadScore__set_from_binary(self, p)
3884 def __getstate__(self):
3885 p = self._get_as_binary()
3886 if len(self.__dict__) > 1:
3887 d = self.__dict__.copy()
3892 def __setstate__(self, p):
3893 if not hasattr(self,
'this'):
3895 if isinstance(p, tuple):
3897 self.__dict__.update(d)
3898 return self._set_from_binary(p)
3902 _IMP_core.DihedralQuadScore_swigregister(DihedralQuadScore)
3903 class BallMover(MonteCarloMover):
3904 r"""Proxy of C++ IMP::core::BallMover class."""
3906 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3908 def __init__(self, *args):
3910 __init__(BallMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double radius) -> BallMover
3911 __init__(BallMover self, Model m, ParticleIndex pi, double radius) -> BallMover
3912 __init__(BallMover self, Model m, IMP::ParticleIndexes const & pis, IMP::FloatKeys const & vars, IMP::Float radius) -> BallMover
3913 __init__(BallMover self, Model m, IMP::ParticleIndexes const & pis, IMP::Float radius) -> BallMover
3914 __init__(BallMover self) -> BallMover
3916 _IMP_core.BallMover_swiginit(self, _IMP_core.new_BallMover(*args))
3918 def set_radius(self, radius):
3919 r"""set_radius(BallMover self, IMP::Float radius)"""
3920 return _IMP_core.BallMover_set_radius(self, radius)
3922 def get_radius(self):
3923 r"""get_radius(BallMover self) -> IMP::Float"""
3924 return _IMP_core.BallMover_get_radius(self)
3927 r"""get_indexes(BallMover self) -> IMP::ParticleIndexes"""
3928 return _IMP_core.BallMover_get_indexes(self)
3931 r"""get_keys(BallMover self) -> IMP::FloatKeys"""
3932 return _IMP_core.BallMover_get_keys(self)
3934 def get_version_info(self):
3935 r"""get_version_info(BallMover self) -> VersionInfo"""
3936 return _IMP_core.BallMover_get_version_info(self)
3937 __swig_destroy__ = _IMP_core.delete_BallMover
3940 r"""__str__(BallMover self) -> std::string"""
3941 return _IMP_core.BallMover___str__(self)
3944 r"""__repr__(BallMover self) -> std::string"""
3945 return _IMP_core.BallMover___repr__(self)
3949 return _object_cast_to_BallMover(o)
3952 def _get_as_binary(self):
3953 r"""_get_as_binary(BallMover self) -> PyObject *"""
3954 return _IMP_core.BallMover__get_as_binary(self)
3956 def _set_from_binary(self, p):
3957 r"""_set_from_binary(BallMover self, PyObject * p)"""
3958 return _IMP_core.BallMover__set_from_binary(self, p)
3960 def __getstate__(self):
3961 p = self._get_as_binary()
3962 if len(self.__dict__) > 1:
3963 d = self.__dict__.copy()
3968 def __setstate__(self, p):
3969 if not hasattr(self,
'this'):
3971 if isinstance(p, tuple):
3973 self.__dict__.update(d)
3974 return self._set_from_binary(p)
3977 def _get_jax(self, space):
3979 from IMP.algebra._jax_util
import get_random_vector_in_3d_sphere
3980 indexes = self.get_indexes()
3981 keys = frozenset(self.get_keys())
3984 elif keys == frozenset(
3988 raise NotImplementedError(
3989 "Only works for XYZ or internal coordinates")
3990 radius = self.get_radius()
3995 def propose_func(jm, key):
3996 key, subkey = jax.random.split(key)
3997 v = get_random_vector_in_3d_sphere(subkey, radius)
3999 rbs = jm[
'rigid_bodies']
4000 rbs.intcoord = space.shift_indexes(rbs.intcoord, indexes, v)
4002 jm[
'xyz'] = space.shift_indexes(jm[
'xyz'], indexes, v)
4004 return self._wrap_jax(init_func, propose_func,
4005 keys=[
'rigid_bodies']
if intcoord
else None)
4009 _IMP_core.BallMover_swigregister(BallMover)
4010 class SerialMover(MonteCarloMover):
4011 r"""Proxy of C++ IMP::core::SerialMover class."""
4013 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4015 def __init__(self, *args):
4017 __init__(SerialMover self, IMP::core::MonteCarloMoversTemp const & mvs) -> SerialMover
4018 __init__(SerialMover self) -> SerialMover
4020 _IMP_core.SerialMover_swiginit(self, _IMP_core.new_SerialMover(*args))
4022 def get_movers(self):
4023 r"""get_movers(SerialMover self) -> IMP::core::MonteCarloMovers const &"""
4024 return _IMP_core.SerialMover_get_movers(self)
4026 def get_version_info(self):
4027 r"""get_version_info(SerialMover self) -> VersionInfo"""
4028 return _IMP_core.SerialMover_get_version_info(self)
4029 __swig_destroy__ = _IMP_core.delete_SerialMover
4032 r"""__str__(SerialMover self) -> std::string"""
4033 return _IMP_core.SerialMover___str__(self)
4036 r"""__repr__(SerialMover self) -> std::string"""
4037 return _IMP_core.SerialMover___repr__(self)
4041 return _object_cast_to_SerialMover(o)
4044 def _get_as_binary(self):
4045 r"""_get_as_binary(SerialMover self) -> PyObject *"""
4046 return _IMP_core.SerialMover__get_as_binary(self)
4048 def _set_from_binary(self, p):
4049 r"""_set_from_binary(SerialMover self, PyObject * p)"""
4050 return _IMP_core.SerialMover__set_from_binary(self, p)
4052 def __getstate__(self):
4053 p = self._get_as_binary()
4054 if len(self.__dict__) > 1:
4055 d = self.__dict__.copy()
4060 def __setstate__(self, p):
4061 if not hasattr(self,
'this'):
4063 if isinstance(p, tuple):
4065 self.__dict__.update(d)
4066 return self._set_from_binary(p)
4069 def _get_jax(self, space):
4072 import jax.numpy
as jnp
4073 from IMP.core._jax_util
import _SerialMover
4074 movers = [m.get_derived_object()._get_jax(space)
4075 for m
in self.get_movers()]
4077 def sub_propose_func(jm, sms, i):
4078 """Call the propose_func of the ith mover"""
4079 jm, sms.mover_state[i], ratio = movers[i].propose_func(
4080 jm, sms.mover_state[i])
4081 sms.proposed_mover_steps = sms.proposed_mover_steps.at[i].add(1)
4082 return jm, sms, ratio
4084 sub_propose_funcs = [functools.partial(sub_propose_func, i=i)
4085 for i
in range(len(movers))]
4091 key, subkey = jax.random.split(key)
4092 mover_state.append(m.init_func(subkey))
4093 return _SerialMover(
4094 imov=-1, mover_state=mover_state,
4095 proposed_mover_steps=jnp.zeros(len(movers), dtype=int),
4096 accepted_mover_steps=jnp.zeros(len(movers), dtype=int))
4098 def reset_stats_func(sms):
4099 sms.mover_state = [m.reset_stats_func(ms)
4100 if m.reset_stats_func
else ms
4101 for (m, ms)
in zip(movers, sms.mover_state)]
4102 sms.proposed_mover_steps = jnp.zeros(len(movers), dtype=int)
4103 sms.accepted_mover_steps = jnp.zeros(len(movers), dtype=int)
4106 def propose_func(jm, sms):
4107 sms.imov = jnp.mod(sms.imov + 1, len(movers))
4108 return jax.lax.switch(sms.imov, sub_propose_funcs, jm, sms)
4110 def accept_func(sms):
4112 sms.accepted_mover_steps = \
4113 sms.accepted_mover_steps.at[sms.imov].add(1)
4116 def sync_func(imp_mover, sms):
4118 for i, mover
in enumerate(imp_mover.get_movers()):
4119 mover.add_to_statistics(
4120 sms.proposed_mover_steps[i],
4121 sms.proposed_mover_steps[i] - sms.accepted_mover_steps[i])
4123 return self._wrap_jax(
4124 init_func, propose_func, accept_func, sync_func,
4125 reset_stats_func=reset_stats_func,
4126 keys=frozenset(x
for m
in movers
for x
in m._keys))
4130 _IMP_core.SerialMover_swigregister(SerialMover)
4131 class SubsetMover(MonteCarloMover):
4132 r"""Proxy of C++ IMP::core::SubsetMover class."""
4134 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4136 def __init__(self, *args):
4138 __init__(SubsetMover self, IMP::core::MonteCarloMoversTemp const & mvs, unsigned int n) -> SubsetMover
4139 __init__(SubsetMover self) -> SubsetMover
4141 _IMP_core.SubsetMover_swiginit(self, _IMP_core.new_SubsetMover(*args))
4143 def get_movers(self):
4144 r"""get_movers(SubsetMover self) -> IMP::core::MonteCarloMovers const &"""
4145 return _IMP_core.SubsetMover_get_movers(self)
4147 def get_subset_size(self):
4148 r"""get_subset_size(SubsetMover self) -> unsigned int"""
4149 return _IMP_core.SubsetMover_get_subset_size(self)
4151 def get_version_info(self):
4152 r"""get_version_info(SubsetMover self) -> VersionInfo"""
4153 return _IMP_core.SubsetMover_get_version_info(self)
4154 __swig_destroy__ = _IMP_core.delete_SubsetMover
4157 r"""__str__(SubsetMover self) -> std::string"""
4158 return _IMP_core.SubsetMover___str__(self)
4161 r"""__repr__(SubsetMover self) -> std::string"""
4162 return _IMP_core.SubsetMover___repr__(self)
4166 return _object_cast_to_SubsetMover(o)
4169 def _get_as_binary(self):
4170 r"""_get_as_binary(SubsetMover self) -> PyObject *"""
4171 return _IMP_core.SubsetMover__get_as_binary(self)
4173 def _set_from_binary(self, p):
4174 r"""_set_from_binary(SubsetMover self, PyObject * p)"""
4175 return _IMP_core.SubsetMover__set_from_binary(self, p)
4177 def __getstate__(self):
4178 p = self._get_as_binary()
4179 if len(self.__dict__) > 1:
4180 d = self.__dict__.copy()
4185 def __setstate__(self, p):
4186 if not hasattr(self,
'this'):
4188 if isinstance(p, tuple):
4190 self.__dict__.update(d)
4191 return self._set_from_binary(p)
4195 _IMP_core.SubsetMover_swigregister(SubsetMover)
4196 class DirectionMover(MonteCarloMover):
4197 r"""Proxy of C++ IMP::core::DirectionMover class."""
4199 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4201 def __init__(self, *args):
4203 __init__(DirectionMover self, Model m, ParticleIndex pi, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4204 __init__(DirectionMover self, Direction d, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4205 __init__(DirectionMover self) -> DirectionMover
4207 _IMP_core.DirectionMover_swiginit(self, _IMP_core.new_DirectionMover(*args))
4209 def set_maximum_rotation(self, mr):
4210 r"""set_maximum_rotation(DirectionMover self, IMP::Float mr)"""
4211 return _IMP_core.DirectionMover_set_maximum_rotation(self, mr)
4213 def set_reflect_probability(self, rp):
4214 r"""set_reflect_probability(DirectionMover self, IMP::Float rp)"""
4215 return _IMP_core.DirectionMover_set_reflect_probability(self, rp)
4217 def get_maximum_rotation(self):
4218 r"""get_maximum_rotation(DirectionMover self) -> IMP::Float"""
4219 return _IMP_core.DirectionMover_get_maximum_rotation(self)
4221 def get_reflect_probability(self):
4222 r"""get_reflect_probability(DirectionMover self) -> IMP::Float"""
4223 return _IMP_core.DirectionMover_get_reflect_probability(self)
4225 def get_direction(self):
4226 r"""get_direction(DirectionMover self) -> Direction"""
4227 return _IMP_core.DirectionMover_get_direction(self)
4229 def get_version_info(self):
4230 r"""get_version_info(DirectionMover self) -> VersionInfo"""
4231 return _IMP_core.DirectionMover_get_version_info(self)
4232 __swig_destroy__ = _IMP_core.delete_DirectionMover
4235 r"""__str__(DirectionMover self) -> std::string"""
4236 return _IMP_core.DirectionMover___str__(self)
4239 r"""__repr__(DirectionMover self) -> std::string"""
4240 return _IMP_core.DirectionMover___repr__(self)
4244 return _object_cast_to_DirectionMover(o)
4247 def _get_as_binary(self):
4248 r"""_get_as_binary(DirectionMover self) -> PyObject *"""
4249 return _IMP_core.DirectionMover__get_as_binary(self)
4251 def _set_from_binary(self, p):
4252 r"""_set_from_binary(DirectionMover self, PyObject * p)"""
4253 return _IMP_core.DirectionMover__set_from_binary(self, p)
4255 def __getstate__(self):
4256 p = self._get_as_binary()
4257 if len(self.__dict__) > 1:
4258 d = self.__dict__.copy()
4263 def __setstate__(self, p):
4264 if not hasattr(self,
'this'):
4266 if isinstance(p, tuple):
4268 self.__dict__.update(d)
4269 return self._set_from_binary(p)
4273 _IMP_core.DirectionMover_swigregister(DirectionMover)
4274 class SurfaceMover(MonteCarloMover):
4275 r"""Proxy of C++ IMP::core::SurfaceMover class."""
4277 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4279 def __init__(self, *args):
4281 __init__(SurfaceMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4282 __init__(SurfaceMover self, Surface s, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4283 __init__(SurfaceMover self) -> SurfaceMover
4285 _IMP_core.SurfaceMover_swiginit(self, _IMP_core.new_SurfaceMover(*args))
4287 def set_maximum_translation(self, mt):
4288 r"""set_maximum_translation(SurfaceMover self, IMP::Float mt)"""
4289 return _IMP_core.SurfaceMover_set_maximum_translation(self, mt)
4291 def set_maximum_rotation(self, mr):
4292 r"""set_maximum_rotation(SurfaceMover self, IMP::Float mr)"""
4293 return _IMP_core.SurfaceMover_set_maximum_rotation(self, mr)
4295 def set_reflect_probability(self, rp):
4296 r"""set_reflect_probability(SurfaceMover self, IMP::Float rp)"""
4297 return _IMP_core.SurfaceMover_set_reflect_probability(self, rp)
4299 def get_maximum_translation(self):
4300 r"""get_maximum_translation(SurfaceMover self) -> IMP::Float"""
4301 return _IMP_core.SurfaceMover_get_maximum_translation(self)
4303 def get_maximum_rotation(self):
4304 r"""get_maximum_rotation(SurfaceMover self) -> IMP::Float"""
4305 return _IMP_core.SurfaceMover_get_maximum_rotation(self)
4307 def get_reflect_probability(self):
4308 r"""get_reflect_probability(SurfaceMover self) -> IMP::Float"""
4309 return _IMP_core.SurfaceMover_get_reflect_probability(self)
4311 def get_surface(self):
4312 r"""get_surface(SurfaceMover self) -> Surface"""
4313 return _IMP_core.SurfaceMover_get_surface(self)
4315 def get_version_info(self):
4316 r"""get_version_info(SurfaceMover self) -> VersionInfo"""
4317 return _IMP_core.SurfaceMover_get_version_info(self)
4318 __swig_destroy__ = _IMP_core.delete_SurfaceMover
4321 r"""__str__(SurfaceMover self) -> std::string"""
4322 return _IMP_core.SurfaceMover___str__(self)
4325 r"""__repr__(SurfaceMover self) -> std::string"""
4326 return _IMP_core.SurfaceMover___repr__(self)
4330 return _object_cast_to_SurfaceMover(o)
4333 def _get_as_binary(self):
4334 r"""_get_as_binary(SurfaceMover self) -> PyObject *"""
4335 return _IMP_core.SurfaceMover__get_as_binary(self)
4337 def _set_from_binary(self, p):
4338 r"""_set_from_binary(SurfaceMover self, PyObject * p)"""
4339 return _IMP_core.SurfaceMover__set_from_binary(self, p)
4341 def __getstate__(self):
4342 p = self._get_as_binary()
4343 if len(self.__dict__) > 1:
4344 d = self.__dict__.copy()
4349 def __setstate__(self, p):
4350 if not hasattr(self,
'this'):
4352 if isinstance(p, tuple):
4354 self.__dict__.update(d)
4355 return self._set_from_binary(p)
4359 _IMP_core.SurfaceMover_swigregister(SurfaceMover)
4360 class BoxSweepClosePairsFinder(ClosePairsFinder):
4361 r"""Proxy of C++ IMP::core::BoxSweepClosePairsFinder class."""
4363 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4366 r"""__init__(BoxSweepClosePairsFinder self) -> BoxSweepClosePairsFinder"""
4367 _IMP_core.BoxSweepClosePairsFinder_swiginit(self, _IMP_core.new_BoxSweepClosePairsFinder())
4369 def get_close_pairs(self, *args):
4371 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4372 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4373 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
4374 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
4376 return _IMP_core.BoxSweepClosePairsFinder_get_close_pairs(self, *args)
4378 def do_get_inputs(self, m, pis):
4379 r"""do_get_inputs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4380 return _IMP_core.BoxSweepClosePairsFinder_do_get_inputs(self, m, pis)
4382 def get_version_info(self):
4383 r"""get_version_info(BoxSweepClosePairsFinder self) -> VersionInfo"""
4384 return _IMP_core.BoxSweepClosePairsFinder_get_version_info(self)
4385 __swig_destroy__ = _IMP_core.delete_BoxSweepClosePairsFinder
4388 r"""__str__(BoxSweepClosePairsFinder self) -> std::string"""
4389 return _IMP_core.BoxSweepClosePairsFinder___str__(self)
4392 r"""__repr__(BoxSweepClosePairsFinder self) -> std::string"""
4393 return _IMP_core.BoxSweepClosePairsFinder___repr__(self)
4397 return _object_cast_to_BoxSweepClosePairsFinder(o)
4401 _IMP_core.BoxSweepClosePairsFinder_swigregister(BoxSweepClosePairsFinder)
4403 r"""Proxy of C++ IMP::core::CentroidOfRefined class."""
4405 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4407 def __init__(self, *args):
4409 __init__(CentroidOfRefined self, Refiner r, FloatKey weight=IMP::FloatKey(), IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> CentroidOfRefined
4410 __init__(CentroidOfRefined self) -> CentroidOfRefined
4412 _IMP_core.CentroidOfRefined_swiginit(self, _IMP_core.new_CentroidOfRefined(*args))
4414 def get_refiner(self):
4415 r"""get_refiner(CentroidOfRefined self) -> Refiner"""
4416 return _IMP_core.CentroidOfRefined_get_refiner(self)
4418 def get_weight(self):
4419 r"""get_weight(CentroidOfRefined self) -> FloatKey"""
4420 return _IMP_core.CentroidOfRefined_get_weight(self)
4423 r"""get_keys(CentroidOfRefined self) -> IMP::FloatKeys"""
4424 return _IMP_core.CentroidOfRefined_get_keys(self)
4426 def get_is_weight_null(self):
4427 r"""get_is_weight_null(CentroidOfRefined self) -> bool"""
4428 return _IMP_core.CentroidOfRefined_get_is_weight_null(self)
4430 def do_get_inputs(self, m, pis):
4431 r"""do_get_inputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4432 return _IMP_core.CentroidOfRefined_do_get_inputs(self, m, pis)
4434 def do_get_outputs(self, m, pis):
4435 r"""do_get_outputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4436 return _IMP_core.CentroidOfRefined_do_get_outputs(self, m, pis)
4438 def get_version_info(self):
4439 r"""get_version_info(CentroidOfRefined self) -> VersionInfo"""
4440 return _IMP_core.CentroidOfRefined_get_version_info(self)
4441 __swig_destroy__ = _IMP_core.delete_CentroidOfRefined
4444 r"""__str__(CentroidOfRefined self) -> std::string"""
4445 return _IMP_core.CentroidOfRefined___str__(self)
4448 r"""__repr__(CentroidOfRefined self) -> std::string"""
4449 return _IMP_core.CentroidOfRefined___repr__(self)
4453 return _object_cast_to_CentroidOfRefined(o)
4456 def _get_as_binary(self):
4457 r"""_get_as_binary(CentroidOfRefined self) -> PyObject *"""
4458 return _IMP_core.CentroidOfRefined__get_as_binary(self)
4460 def _set_from_binary(self, p):
4461 r"""_set_from_binary(CentroidOfRefined self, PyObject * p)"""
4462 return _IMP_core.CentroidOfRefined__set_from_binary(self, p)
4464 def __getstate__(self):
4465 p = self._get_as_binary()
4466 if len(self.__dict__) > 1:
4467 d = self.__dict__.copy()
4472 def __setstate__(self, p):
4473 if not hasattr(self,
'this'):
4475 if isinstance(p, tuple):
4477 self.__dict__.update(d)
4478 return self._set_from_binary(p)
4481 def _get_jax(self, m, indexes):
4482 import jax.numpy
as jnp
4485 for index
in indexes]
4487 def apply_func_unweighted(jm):
4488 for ind, ref
in zip(indexes, refined):
4490 jm[
'xyz'] = xyz.at[ind].set(jnp.average(xyz[ref], axis=0))
4493 def apply_func_weighted(jm, weight_key):
4494 for ind, ref
in zip(indexes, refined):
4496 weights = jm[weight_key][ref]
4497 jm[
'xyz'] = xyz.at[ind].set(
4498 jnp.average(xyz[ref], axis=0, weights=weights))
4501 keys = frozenset(self.get_keys())
4503 raise NotImplementedError(
"Only works for XYZ")
4505 if self.get_is_weight_null():
4506 return self._wrap_jax(apply_func_unweighted)
4508 weight_key = self.get_weight()
4509 return self._wrap_jax(
4510 functools.partial(apply_func_weighted,
4511 weight_key=weight_key.get_string()),
4516 _IMP_core.CentroidOfRefined_swigregister(CentroidOfRefined)
4517 class Centroid(XYZ):
4518 r"""Proxy of C++ IMP::core::Centroid class."""
4520 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4522 def get_constraint(self):
4523 r"""get_constraint(Centroid self) -> Constraint"""
4524 return _IMP_core.Centroid_get_constraint(self)
4526 def __init__(self, *args):
4528 __init__(Centroid self) -> Centroid
4529 __init__(Centroid self, Model m, ParticleIndex id) -> Centroid
4530 __init__(Centroid self, _ParticleAdaptor d) -> Centroid
4532 _IMP_core.Centroid_swiginit(self, _IMP_core.new_Centroid(*args))
4534 def show(self, *args):
4535 r"""show(Centroid self, _ostream out=std::cout)"""
4536 return _IMP_core.Centroid_show(self, *args)
4539 def setup_particle(*args):
4541 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Centroid
4542 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Centroid
4543 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Centroid
4544 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Centroid
4546 return _IMP_core.Centroid_setup_particle(*args)
4549 def get_is_setup(*args):
4551 get_is_setup(_ParticleAdaptor p) -> bool
4552 get_is_setup(Model m, ParticleIndex pi) -> bool
4554 return _IMP_core.Centroid_get_is_setup(*args)
4556 def add_attribute(self, *args):
4558 add_attribute(Centroid self, FloatKey k, IMP::Float v, bool opt)
4559 add_attribute(Centroid self, FloatKey a0, IMP::Float a1)
4560 add_attribute(Centroid self, IntKey a0, IMP::Int a1)
4561 add_attribute(Centroid self, FloatsKey a0, IMP::Floats a1)
4562 add_attribute(Centroid self, IntsKey a0, IMP::Ints a1)
4563 add_attribute(Centroid self, StringKey a0, IMP::String a1)
4564 add_attribute(Centroid self, ParticleIndexKey a0, Particle a1)
4565 add_attribute(Centroid self, ObjectKey a0, Object a1)
4566 add_attribute(Centroid self, SparseFloatKey a0, IMP::Float a1)
4567 add_attribute(Centroid self, SparseIntKey a0, IMP::Int a1)
4568 add_attribute(Centroid self, SparseStringKey a0, IMP::String a1)
4569 add_attribute(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4571 return _IMP_core.Centroid_add_attribute(self, *args)
4573 def get_value(self, *args):
4575 get_value(Centroid self, FloatKey a0) -> IMP::Float
4576 get_value(Centroid self, IntKey a0) -> IMP::Int
4577 get_value(Centroid self, FloatsKey a0) -> IMP::Floats
4578 get_value(Centroid self, IntsKey a0) -> IMP::Ints
4579 get_value(Centroid self, StringKey a0) -> IMP::String
4580 get_value(Centroid self, ParticleIndexKey a0) -> Particle
4581 get_value(Centroid self, ObjectKey a0) -> Object
4582 get_value(Centroid self, SparseFloatKey a0) -> IMP::Float
4583 get_value(Centroid self, SparseIntKey a0) -> IMP::Int
4584 get_value(Centroid self, SparseStringKey a0) -> IMP::String
4585 get_value(Centroid self, SparseParticleIndexKey a0) -> ParticleIndex
4587 return _IMP_core.Centroid_get_value(self, *args)
4589 def set_value(self, *args):
4591 set_value(Centroid self, FloatKey a0, IMP::Float a1)
4592 set_value(Centroid self, IntKey a0, IMP::Int a1)
4593 set_value(Centroid self, FloatsKey a0, IMP::Floats a1)
4594 set_value(Centroid self, IntsKey a0, IMP::Ints a1)
4595 set_value(Centroid self, StringKey a0, IMP::String a1)
4596 set_value(Centroid self, ParticleIndexKey a0, Particle a1)
4597 set_value(Centroid self, ObjectKey a0, Object a1)
4598 set_value(Centroid self, SparseFloatKey a0, IMP::Float a1)
4599 set_value(Centroid self, SparseIntKey a0, IMP::Int a1)
4600 set_value(Centroid self, SparseStringKey a0, IMP::String a1)
4601 set_value(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4603 return _IMP_core.Centroid_set_value(self, *args)
4605 def remove_attribute(self, *args):
4607 remove_attribute(Centroid self, FloatKey a0)
4608 remove_attribute(Centroid self, IntKey a0)
4609 remove_attribute(Centroid self, FloatsKey a0)
4610 remove_attribute(Centroid self, IntsKey a0)
4611 remove_attribute(Centroid self, StringKey a0)
4612 remove_attribute(Centroid self, ParticleIndexKey a0)
4613 remove_attribute(Centroid self, ObjectKey a0)
4614 remove_attribute(Centroid self, SparseFloatKey a0)
4615 remove_attribute(Centroid self, SparseIntKey a0)
4616 remove_attribute(Centroid self, SparseStringKey a0)
4617 remove_attribute(Centroid self, SparseParticleIndexKey a0)
4619 return _IMP_core.Centroid_remove_attribute(self, *args)
4621 def has_attribute(self, *args):
4623 has_attribute(Centroid self, FloatKey a0) -> bool
4624 has_attribute(Centroid self, IntKey a0) -> bool
4625 has_attribute(Centroid self, FloatsKey a0) -> bool
4626 has_attribute(Centroid self, IntsKey a0) -> bool
4627 has_attribute(Centroid self, StringKey a0) -> bool
4628 has_attribute(Centroid self, ParticleIndexKey a0) -> bool
4629 has_attribute(Centroid self, ObjectKey a0) -> bool
4630 has_attribute(Centroid self, SparseFloatKey a0) -> bool
4631 has_attribute(Centroid self, SparseIntKey a0) -> bool
4632 has_attribute(Centroid self, SparseStringKey a0) -> bool
4633 has_attribute(Centroid self, SparseParticleIndexKey a0) -> bool
4635 return _IMP_core.Centroid_has_attribute(self, *args)
4637 def get_derivative(self, a0):
4638 r"""get_derivative(Centroid self, FloatKey a0) -> double"""
4639 return _IMP_core.Centroid_get_derivative(self, a0)
4642 r"""get_name(Centroid self) -> std::string"""
4643 return _IMP_core.Centroid_get_name(self)
4645 def clear_caches(self):
4646 r"""clear_caches(Centroid self)"""
4647 return _IMP_core.Centroid_clear_caches(self)
4649 def set_name(self, a0):
4650 r"""set_name(Centroid self, std::string a0)"""
4651 return _IMP_core.Centroid_set_name(self, a0)
4654 r"""set_check_level(Centroid self, IMP::CheckLevel a0)"""
4655 return _IMP_core.Centroid_set_check_level(self, a0)
4657 def add_to_derivative(self, a0, a1, a2):
4658 r"""add_to_derivative(Centroid self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4659 return _IMP_core.Centroid_add_to_derivative(self, a0, a1, a2)
4661 def set_is_optimized(self, a0, a1):
4662 r"""set_is_optimized(Centroid self, FloatKey a0, bool a1)"""
4663 return _IMP_core.Centroid_set_is_optimized(self, a0, a1)
4665 def get_is_optimized(self, a0):
4666 r"""get_is_optimized(Centroid self, FloatKey a0) -> bool"""
4667 return _IMP_core.Centroid_get_is_optimized(self, a0)
4670 r"""get_check_level(Centroid self) -> IMP::CheckLevel"""
4671 return _IMP_core.Centroid_get_check_level(self)
4673 def __eq__(self, *args):
4675 __eq__(Centroid self, Centroid o) -> bool
4676 __eq__(Centroid self, Particle d) -> bool
4678 return _IMP_core.Centroid___eq__(self, *args)
4680 def __ne__(self, *args):
4682 __ne__(Centroid self, Centroid o) -> bool
4683 __ne__(Centroid self, Particle d) -> bool
4685 return _IMP_core.Centroid___ne__(self, *args)
4687 def __le__(self, *args):
4689 __le__(Centroid self, Centroid o) -> bool
4690 __le__(Centroid self, Particle d) -> bool
4692 return _IMP_core.Centroid___le__(self, *args)
4694 def __lt__(self, *args):
4696 __lt__(Centroid self, Centroid o) -> bool
4697 __lt__(Centroid self, Particle d) -> bool
4699 return _IMP_core.Centroid___lt__(self, *args)
4701 def __ge__(self, *args):
4703 __ge__(Centroid self, Centroid o) -> bool
4704 __ge__(Centroid self, Particle d) -> bool
4706 return _IMP_core.Centroid___ge__(self, *args)
4708 def __gt__(self, *args):
4710 __gt__(Centroid self, Centroid o) -> bool
4711 __gt__(Centroid self, Particle d) -> bool
4713 return _IMP_core.Centroid___gt__(self, *args)
4716 r"""__hash__(Centroid self) -> std::size_t"""
4717 return _IMP_core.Centroid___hash__(self)
4720 r"""__str__(Centroid self) -> std::string"""
4721 return _IMP_core.Centroid___str__(self)
4724 r"""__repr__(Centroid self) -> std::string"""
4725 return _IMP_core.Centroid___repr__(self)
4727 def _get_as_binary(self):
4728 r"""_get_as_binary(Centroid self) -> PyObject *"""
4729 return _IMP_core.Centroid__get_as_binary(self)
4731 def _set_from_binary(self, p):
4732 r"""_set_from_binary(Centroid self, PyObject * p)"""
4733 return _IMP_core.Centroid__set_from_binary(self, p)
4735 def __getstate__(self):
4736 p = self._get_as_binary()
4737 if len(self.__dict__) > 1:
4738 d = self.__dict__.copy()
4743 def __setstate__(self, p):
4744 if not hasattr(self,
'this'):
4746 if isinstance(p, tuple):
4748 self.__dict__.update(d)
4749 return self._set_from_binary(p)
4751 __swig_destroy__ = _IMP_core.delete_Centroid
4754 _IMP_core.Centroid_swigregister(Centroid)
4756 r"""Proxy of C++ IMP::core::ChecksScoreState class."""
4758 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4760 def __init__(self, *args):
4762 __init__(ChecksScoreState self, Model m, double probability) -> ChecksScoreState
4763 __init__(ChecksScoreState self) -> ChecksScoreState
4765 _IMP_core.ChecksScoreState_swiginit(self, _IMP_core.new_ChecksScoreState(*args))
4767 def get_number_of_checked(self):
4768 r"""get_number_of_checked(ChecksScoreState self) -> unsigned int"""
4769 return _IMP_core.ChecksScoreState_get_number_of_checked(self)
4771 def do_before_evaluate(self):
4772 r"""do_before_evaluate(ChecksScoreState self)"""
4773 return _IMP_core.ChecksScoreState_do_before_evaluate(self)
4775 def do_after_evaluate(self, da):
4776 r"""do_after_evaluate(ChecksScoreState self, DerivativeAccumulator da)"""
4777 return _IMP_core.ChecksScoreState_do_after_evaluate(self, da)
4779 def do_get_outputs(self):
4780 r"""do_get_outputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4781 return _IMP_core.ChecksScoreState_do_get_outputs(self)
4783 def do_get_inputs(self):
4784 r"""do_get_inputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4785 return _IMP_core.ChecksScoreState_do_get_inputs(self)
4787 def get_version_info(self):
4788 r"""get_version_info(ChecksScoreState self) -> VersionInfo"""
4789 return _IMP_core.ChecksScoreState_get_version_info(self)
4790 __swig_destroy__ = _IMP_core.delete_ChecksScoreState
4793 r"""__str__(ChecksScoreState self) -> std::string"""
4794 return _IMP_core.ChecksScoreState___str__(self)
4797 r"""__repr__(ChecksScoreState self) -> std::string"""
4798 return _IMP_core.ChecksScoreState___repr__(self)
4802 return _object_cast_to_ChecksScoreState(o)
4805 def _get_as_binary(self):
4806 r"""_get_as_binary(ChecksScoreState self) -> PyObject *"""
4807 return _IMP_core.ChecksScoreState__get_as_binary(self)
4809 def _set_from_binary(self, p):
4810 r"""_set_from_binary(ChecksScoreState self, PyObject * p)"""
4811 return _IMP_core.ChecksScoreState__set_from_binary(self, p)
4813 def __getstate__(self):
4814 p = self._get_as_binary()
4815 if len(self.__dict__) > 1:
4816 d = self.__dict__.copy()
4821 def __setstate__(self, p):
4822 if not hasattr(self,
'this'):
4824 if isinstance(p, tuple):
4826 self.__dict__.update(d)
4827 return self._set_from_binary(p)
4831 _IMP_core.ChecksScoreState_swigregister(ChecksScoreState)
4833 r"""Proxy of C++ IMP::core::ChildrenRefiner class."""
4835 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4837 def __init__(self, tr):
4838 r"""__init__(ChildrenRefiner self, HierarchyTraits tr) -> ChildrenRefiner"""
4839 _IMP_core.ChildrenRefiner_swiginit(self, _IMP_core.new_ChildrenRefiner(tr))
4841 def do_get_inputs(self, m, pis):
4842 r"""do_get_inputs(ChildrenRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4843 return _IMP_core.ChildrenRefiner_do_get_inputs(self, m, pis)
4845 def get_version_info(self):
4846 r"""get_version_info(ChildrenRefiner self) -> VersionInfo"""
4847 return _IMP_core.ChildrenRefiner_get_version_info(self)
4848 __swig_destroy__ = _IMP_core.delete_ChildrenRefiner
4851 r"""__str__(ChildrenRefiner self) -> std::string"""
4852 return _IMP_core.ChildrenRefiner___str__(self)
4855 r"""__repr__(ChildrenRefiner self) -> std::string"""
4856 return _IMP_core.ChildrenRefiner___repr__(self)
4860 return _object_cast_to_ChildrenRefiner(o)
4864 _IMP_core.ChildrenRefiner_swigregister(ChildrenRefiner)
4866 r"""Proxy of C++ IMP::core::ClosedCubicSpline class."""
4868 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4870 def __init__(self, values, minrange, spacing):
4871 r"""__init__(ClosedCubicSpline self, IMP::Floats const & values, double minrange, double spacing) -> ClosedCubicSpline"""
4872 _IMP_core.ClosedCubicSpline_swiginit(self, _IMP_core.new_ClosedCubicSpline(values, minrange, spacing))
4874 def get_version_info(self):
4875 r"""get_version_info(ClosedCubicSpline self) -> VersionInfo"""
4876 return _IMP_core.ClosedCubicSpline_get_version_info(self)
4877 __swig_destroy__ = _IMP_core.delete_ClosedCubicSpline
4879 def do_show(self, out):
4880 r"""do_show(ClosedCubicSpline self, _ostream out)"""
4881 return _IMP_core.ClosedCubicSpline_do_show(self, out)
4883 def get_minrange(self):
4884 r"""get_minrange(ClosedCubicSpline self) -> IMP::Float"""
4885 return _IMP_core.ClosedCubicSpline_get_minrange(self)
4887 def get_spacing(self):
4888 r"""get_spacing(ClosedCubicSpline self) -> IMP::Float"""
4889 return _IMP_core.ClosedCubicSpline_get_spacing(self)
4891 def get_values(self):
4892 r"""get_values(ClosedCubicSpline self) -> IMP::Floats"""
4893 return _IMP_core.ClosedCubicSpline_get_values(self)
4895 def get_second_derivatives(self):
4896 r"""get_second_derivatives(ClosedCubicSpline self) -> IMP::Floats"""
4897 return _IMP_core.ClosedCubicSpline_get_second_derivatives(self)
4900 r"""__str__(ClosedCubicSpline self) -> std::string"""
4901 return _IMP_core.ClosedCubicSpline___str__(self)
4904 r"""__repr__(ClosedCubicSpline self) -> std::string"""
4905 return _IMP_core.ClosedCubicSpline___repr__(self)
4909 return _object_cast_to_ClosedCubicSpline(o)
4913 import jax.numpy
as jnp
4914 from IMP.core._jax_util
import _spline
4915 def score(feature, minrange, spacing, values, second_derivs):
4917 lowbin = jnp.array((feature - minrange) / spacing, dtype=int)
4919 highbin = jnp.remainder(lowbin + 1, len(values))
4920 return _spline(feature, minrange, lowbin, highbin, spacing,
4921 values, second_derivs)
4922 return functools.partial(
4923 score, minrange=self.get_minrange(),
4924 spacing=self.get_spacing(), values=jnp.asarray(self.get_values()),
4925 second_derivs=jnp.asarray(self.get_second_derivatives()))
4929 _IMP_core.ClosedCubicSpline_swigregister(ClosedCubicSpline)
4931 r"""Proxy of C++ IMP::core::KClosePairsPairScore class."""
4933 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4935 def __init__(self, f, r, k=1):
4936 r"""__init__(KClosePairsPairScore self, PairScore f, Refiner r, int k=1) -> KClosePairsPairScore"""
4937 _IMP_core.KClosePairsPairScore_swiginit(self, _IMP_core.new_KClosePairsPairScore(f, r, k))
4939 def get_close_pairs(self, pp):
4940 r"""get_close_pairs(KClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
4941 return _IMP_core.KClosePairsPairScore_get_close_pairs(self, pp)
4943 def create_current_decomposition(self, m, vt):
4944 r"""create_current_decomposition(KClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
4945 return _IMP_core.KClosePairsPairScore_create_current_decomposition(self, m, vt)
4947 def do_get_inputs(self, m, pis):
4948 r"""do_get_inputs(KClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4949 return _IMP_core.KClosePairsPairScore_do_get_inputs(self, m, pis)
4951 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4952 r"""evaluate_indexes(KClosePairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
4953 return _IMP_core.KClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4955 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4956 r"""evaluate_indexes_scores(KClosePairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
4957 return _IMP_core.KClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4959 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4960 r"""evaluate_indexes_delta(KClosePairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
4961 return _IMP_core.KClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4963 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4964 r"""evaluate_if_good_indexes(KClosePairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
4965 return _IMP_core.KClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4967 def get_version_info(self):
4968 r"""get_version_info(KClosePairsPairScore self) -> VersionInfo"""
4969 return _IMP_core.KClosePairsPairScore_get_version_info(self)
4970 __swig_destroy__ = _IMP_core.delete_KClosePairsPairScore
4973 r"""__str__(KClosePairsPairScore self) -> std::string"""
4974 return _IMP_core.KClosePairsPairScore___str__(self)
4977 r"""__repr__(KClosePairsPairScore self) -> std::string"""
4978 return _IMP_core.KClosePairsPairScore___repr__(self)
4982 return _object_cast_to_KClosePairsPairScore(o)
4986 _IMP_core.KClosePairsPairScore_swigregister(KClosePairsPairScore)
4988 r"""Proxy of C++ IMP::core::ClosePairsPairScore class."""
4990 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4992 def __init__(self, f, r, max_distance):
4993 r"""__init__(ClosePairsPairScore self, PairScore f, Refiner r, IMP::Float max_distance) -> ClosePairsPairScore"""
4994 _IMP_core.ClosePairsPairScore_swiginit(self, _IMP_core.new_ClosePairsPairScore(f, r, max_distance))
4996 def get_close_pairs(self, pp):
4997 r"""get_close_pairs(ClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
4998 return _IMP_core.ClosePairsPairScore_get_close_pairs(self, pp)
5000 def create_current_decomposition(self, m, vt):
5001 r"""create_current_decomposition(ClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
5002 return _IMP_core.ClosePairsPairScore_create_current_decomposition(self, m, vt)
5004 def do_get_inputs(self, m, pis):
5005 r"""do_get_inputs(ClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5006 return _IMP_core.ClosePairsPairScore_do_get_inputs(self, m, pis)
5008 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
5009 r"""evaluate_indexes(ClosePairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
5010 return _IMP_core.ClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
5012 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
5013 r"""evaluate_indexes_scores(ClosePairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
5014 return _IMP_core.ClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
5016 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
5017 r"""evaluate_indexes_delta(ClosePairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
5018 return _IMP_core.ClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
5020 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
5021 r"""evaluate_if_good_indexes(ClosePairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
5022 return _IMP_core.ClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
5024 def get_version_info(self):
5025 r"""get_version_info(ClosePairsPairScore self) -> VersionInfo"""
5026 return _IMP_core.ClosePairsPairScore_get_version_info(self)
5027 __swig_destroy__ = _IMP_core.delete_ClosePairsPairScore
5030 r"""__str__(ClosePairsPairScore self) -> std::string"""
5031 return _IMP_core.ClosePairsPairScore___str__(self)
5034 r"""__repr__(ClosePairsPairScore self) -> std::string"""
5035 return _IMP_core.ClosePairsPairScore___repr__(self)
5039 return _object_cast_to_ClosePairsPairScore(o)
5043 _IMP_core.ClosePairsPairScore_swigregister(ClosePairsPairScore)
5045 r"""Proxy of C++ IMP::core::ConjugateGradients class."""
5047 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5049 def __init__(self, *args):
5051 __init__(ConjugateGradients self, Model m, std::string name="ConjugateGradients%1%") -> ConjugateGradients
5052 __init__(ConjugateGradients self) -> ConjugateGradients
5054 _IMP_core.ConjugateGradients_swiginit(self, _IMP_core.new_ConjugateGradients(*args))
5056 def set_gradient_threshold(self, t):
5057 r"""set_gradient_threshold(ConjugateGradients self, IMP::Float t)"""
5058 return _IMP_core.ConjugateGradients_set_gradient_threshold(self, t)
5060 def set_max_change(self, t):
5061 r"""set_max_change(ConjugateGradients self, IMP::Float t)"""
5062 return _IMP_core.ConjugateGradients_set_max_change(self, t)
5064 def do_optimize(self, max_steps):
5065 r"""do_optimize(ConjugateGradients self, unsigned int max_steps) -> IMP::Float"""
5066 return _IMP_core.ConjugateGradients_do_optimize(self, max_steps)
5068 def get_version_info(self):
5069 r"""get_version_info(ConjugateGradients self) -> VersionInfo"""
5070 return _IMP_core.ConjugateGradients_get_version_info(self)
5071 __swig_destroy__ = _IMP_core.delete_ConjugateGradients
5074 r"""__str__(ConjugateGradients self) -> std::string"""
5075 return _IMP_core.ConjugateGradients___str__(self)
5078 r"""__repr__(ConjugateGradients self) -> std::string"""
5079 return _IMP_core.ConjugateGradients___repr__(self)
5083 return _object_cast_to_ConjugateGradients(o)
5086 def _get_as_binary(self):
5087 r"""_get_as_binary(ConjugateGradients self) -> PyObject *"""
5088 return _IMP_core.ConjugateGradients__get_as_binary(self)
5090 def _set_from_binary(self, p):
5091 r"""_set_from_binary(ConjugateGradients self, PyObject * p)"""
5092 return _IMP_core.ConjugateGradients__set_from_binary(self, p)
5094 def __getstate__(self):
5095 p = self._get_as_binary()
5096 if len(self.__dict__) > 1:
5097 d = self.__dict__.copy()
5102 def __setstate__(self, p):
5103 if not hasattr(self,
'this'):
5105 if isinstance(p, tuple):
5107 self.__dict__.update(d)
5108 return self._set_from_binary(p)
5112 _IMP_core.ConjugateGradients_swigregister(ConjugateGradients)
5114 r"""Proxy of C++ IMP::core::ConnectivityRestraint class."""
5116 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5118 def __init__(self, ps, sc):
5119 r"""__init__(ConnectivityRestraint self, PairScore ps, _SingletonContainerAdaptor sc) -> ConnectivityRestraint"""
5120 _IMP_core.ConnectivityRestraint_swiginit(self, _IMP_core.new_ConnectivityRestraint(ps, sc))
5122 def get_connected_index_pairs(self):
5123 r"""get_connected_index_pairs(ConnectivityRestraint self) -> IMP::ParticleIndexPairs"""
5124 return _IMP_core.ConnectivityRestraint_get_connected_index_pairs(self)
5126 def get_pair_score(self):
5127 r"""get_pair_score(ConnectivityRestraint self) -> PairScore"""
5128 return _IMP_core.ConnectivityRestraint_get_pair_score(self)
5130 def do_create_current_decomposition(self):
5131 r"""do_create_current_decomposition(ConnectivityRestraint self) -> IMP::Restraints"""
5132 return _IMP_core.ConnectivityRestraint_do_create_current_decomposition(self)
5134 def do_get_inputs(self):
5135 r"""do_get_inputs(ConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
5136 return _IMP_core.ConnectivityRestraint_do_get_inputs(self)
5138 def get_version_info(self):
5139 r"""get_version_info(ConnectivityRestraint self) -> VersionInfo"""
5140 return _IMP_core.ConnectivityRestraint_get_version_info(self)
5141 __swig_destroy__ = _IMP_core.delete_ConnectivityRestraint
5144 r"""__str__(ConnectivityRestraint self) -> std::string"""
5145 return _IMP_core.ConnectivityRestraint___str__(self)
5148 r"""__repr__(ConnectivityRestraint self) -> std::string"""
5149 return _IMP_core.ConnectivityRestraint___repr__(self)
5153 return _object_cast_to_ConnectivityRestraint(o)
5157 _IMP_core.ConnectivityRestraint_swigregister(ConnectivityRestraint)
5159 r"""Proxy of C++ IMP::core::ConstantRestraint class."""
5161 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5163 def __init__(self, *args):
5165 __init__(ConstantRestraint self, Model m, IMP::Float v) -> ConstantRestraint
5166 __init__(ConstantRestraint self) -> ConstantRestraint
5168 _IMP_core.ConstantRestraint_swiginit(self, _IMP_core.new_ConstantRestraint(*args))
5170 def do_get_inputs(self):
5171 r"""do_get_inputs(ConstantRestraint self) -> IMP::ModelObjectsTemp"""
5172 return _IMP_core.ConstantRestraint_do_get_inputs(self)
5174 def get_version_info(self):
5175 r"""get_version_info(ConstantRestraint self) -> VersionInfo"""
5176 return _IMP_core.ConstantRestraint_get_version_info(self)
5177 __swig_destroy__ = _IMP_core.delete_ConstantRestraint
5180 r"""__str__(ConstantRestraint self) -> std::string"""
5181 return _IMP_core.ConstantRestraint___str__(self)
5184 r"""__repr__(ConstantRestraint self) -> std::string"""
5185 return _IMP_core.ConstantRestraint___repr__(self)
5189 return _object_cast_to_ConstantRestraint(o)
5192 def _get_as_binary(self):
5193 r"""_get_as_binary(ConstantRestraint self) -> PyObject *"""
5194 return _IMP_core.ConstantRestraint__get_as_binary(self)
5196 def _set_from_binary(self, p):
5197 r"""_set_from_binary(ConstantRestraint self, PyObject * p)"""
5198 return _IMP_core.ConstantRestraint__set_from_binary(self, p)
5200 def __getstate__(self):
5201 p = self._get_as_binary()
5202 if len(self.__dict__) > 1:
5203 d = self.__dict__.copy()
5208 def __setstate__(self, p):
5209 if not hasattr(self,
'this'):
5211 if isinstance(p, tuple):
5213 self.__dict__.update(d)
5214 return self._set_from_binary(p)
5218 _IMP_core.ConstantRestraint_swigregister(ConstantRestraint)
5220 r"""Proxy of C++ IMP::core::Cosine class."""
5222 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5224 def __init__(self, *args):
5226 __init__(Cosine self, IMP::Float force_constant, int periodicity, IMP::Float phase) -> Cosine
5227 __init__(Cosine self) -> Cosine
5229 _IMP_core.Cosine_swiginit(self, _IMP_core.new_Cosine(*args))
5231 def get_force_constant(self):
5232 r"""get_force_constant(Cosine self) -> IMP::Float"""
5233 return _IMP_core.Cosine_get_force_constant(self)
5235 def get_periodicity(self):
5236 r"""get_periodicity(Cosine self) -> int"""
5237 return _IMP_core.Cosine_get_periodicity(self)
5239 def get_phase(self):
5240 r"""get_phase(Cosine self) -> IMP::Float"""
5241 return _IMP_core.Cosine_get_phase(self)
5243 def get_version_info(self):
5244 r"""get_version_info(Cosine self) -> VersionInfo"""
5245 return _IMP_core.Cosine_get_version_info(self)
5246 __swig_destroy__ = _IMP_core.delete_Cosine
5248 def do_show(self, out):
5249 r"""do_show(Cosine self, _ostream out)"""
5250 return _IMP_core.Cosine_do_show(self, out)
5253 r"""__str__(Cosine self) -> std::string"""
5254 return _IMP_core.Cosine___str__(self)
5257 r"""__repr__(Cosine self) -> std::string"""
5258 return _IMP_core.Cosine___repr__(self)
5262 return _object_cast_to_Cosine(o)
5265 def _get_as_binary(self):
5266 r"""_get_as_binary(Cosine self) -> PyObject *"""
5267 return _IMP_core.Cosine__get_as_binary(self)
5269 def _set_from_binary(self, p):
5270 r"""_set_from_binary(Cosine self, PyObject * p)"""
5271 return _IMP_core.Cosine__set_from_binary(self, p)
5273 def __getstate__(self):
5274 p = self._get_as_binary()
5275 if len(self.__dict__) > 1:
5276 d = self.__dict__.copy()
5281 def __setstate__(self, p):
5282 if not hasattr(self,
'this'):
5284 if isinstance(p, tuple):
5286 self.__dict__.update(d)
5287 return self._set_from_binary(p)
5291 import jax.numpy
as jnp
5292 def score(val, k, period, phase):
5293 return jnp.abs(k) - k * jnp.cos(period * val + phase)
5294 return functools.partial(score, k=self.get_force_constant(),
5295 period=self.get_periodicity(),
5296 phase=self.get_phase())
5300 _IMP_core.Cosine_swigregister(Cosine)
5302 r"""Proxy of C++ IMP::core::CoverRefined class."""
5304 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5306 def __init__(self, ref, slack=0):
5307 r"""__init__(CoverRefined self, Refiner ref, IMP::Float slack=0) -> CoverRefined"""
5308 _IMP_core.CoverRefined_swiginit(self, _IMP_core.new_CoverRefined(ref, slack))
5310 def set_slack(self, slack):
5311 r"""set_slack(CoverRefined self, IMP::Float slack)"""
5312 return _IMP_core.CoverRefined_set_slack(self, slack)
5314 def do_get_inputs(self, m, pis):
5315 r"""do_get_inputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5316 return _IMP_core.CoverRefined_do_get_inputs(self, m, pis)
5318 def do_get_outputs(self, m, pis):
5319 r"""do_get_outputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5320 return _IMP_core.CoverRefined_do_get_outputs(self, m, pis)
5322 def get_version_info(self):
5323 r"""get_version_info(CoverRefined self) -> VersionInfo"""
5324 return _IMP_core.CoverRefined_get_version_info(self)
5325 __swig_destroy__ = _IMP_core.delete_CoverRefined
5328 r"""__str__(CoverRefined self) -> std::string"""
5329 return _IMP_core.CoverRefined___str__(self)
5332 r"""__repr__(CoverRefined self) -> std::string"""
5333 return _IMP_core.CoverRefined___repr__(self)
5337 return _object_cast_to_CoverRefined(o)
5341 _IMP_core.CoverRefined_swigregister(CoverRefined)
5343 r"""Proxy of C++ IMP::core::Cover class."""
5345 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5347 def get_constraint(self):
5348 r"""get_constraint(Cover self) -> Constraint"""
5349 return _IMP_core.Cover_get_constraint(self)
5351 def __init__(self, *args):
5353 __init__(Cover self) -> Cover
5354 __init__(Cover self, Model m, ParticleIndex id) -> Cover
5355 __init__(Cover self, _ParticleAdaptor d) -> Cover
5357 _IMP_core.Cover_swiginit(self, _IMP_core.new_Cover(*args))
5359 def show(self, *args):
5360 r"""show(Cover self, _ostream out=std::cout)"""
5361 return _IMP_core.Cover_show(self, *args)
5364 def setup_particle(*args):
5366 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Cover
5367 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Cover
5368 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Cover
5369 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Cover
5371 return _IMP_core.Cover_setup_particle(*args)
5374 def get_is_setup(*args):
5376 get_is_setup(_ParticleAdaptor p) -> bool
5377 get_is_setup(Model m, ParticleIndex pi) -> bool
5379 return _IMP_core.Cover_get_is_setup(*args)
5381 def add_attribute(self, *args):
5383 add_attribute(Cover self, FloatKey k, IMP::Float v, bool opt)
5384 add_attribute(Cover self, FloatKey a0, IMP::Float a1)
5385 add_attribute(Cover self, IntKey a0, IMP::Int a1)
5386 add_attribute(Cover self, FloatsKey a0, IMP::Floats a1)
5387 add_attribute(Cover self, IntsKey a0, IMP::Ints a1)
5388 add_attribute(Cover self, StringKey a0, IMP::String a1)
5389 add_attribute(Cover self, ParticleIndexKey a0, Particle a1)
5390 add_attribute(Cover self, ObjectKey a0, Object a1)
5391 add_attribute(Cover self, SparseFloatKey a0, IMP::Float a1)
5392 add_attribute(Cover self, SparseIntKey a0, IMP::Int a1)
5393 add_attribute(Cover self, SparseStringKey a0, IMP::String a1)
5394 add_attribute(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5396 return _IMP_core.Cover_add_attribute(self, *args)
5398 def get_value(self, *args):
5400 get_value(Cover self, FloatKey a0) -> IMP::Float
5401 get_value(Cover self, IntKey a0) -> IMP::Int
5402 get_value(Cover self, FloatsKey a0) -> IMP::Floats
5403 get_value(Cover self, IntsKey a0) -> IMP::Ints
5404 get_value(Cover self, StringKey a0) -> IMP::String
5405 get_value(Cover self, ParticleIndexKey a0) -> Particle
5406 get_value(Cover self, ObjectKey a0) -> Object
5407 get_value(Cover self, SparseFloatKey a0) -> IMP::Float
5408 get_value(Cover self, SparseIntKey a0) -> IMP::Int
5409 get_value(Cover self, SparseStringKey a0) -> IMP::String
5410 get_value(Cover self, SparseParticleIndexKey a0) -> ParticleIndex
5412 return _IMP_core.Cover_get_value(self, *args)
5414 def set_value(self, *args):
5416 set_value(Cover self, FloatKey a0, IMP::Float a1)
5417 set_value(Cover self, IntKey a0, IMP::Int a1)
5418 set_value(Cover self, FloatsKey a0, IMP::Floats a1)
5419 set_value(Cover self, IntsKey a0, IMP::Ints a1)
5420 set_value(Cover self, StringKey a0, IMP::String a1)
5421 set_value(Cover self, ParticleIndexKey a0, Particle a1)
5422 set_value(Cover self, ObjectKey a0, Object a1)
5423 set_value(Cover self, SparseFloatKey a0, IMP::Float a1)
5424 set_value(Cover self, SparseIntKey a0, IMP::Int a1)
5425 set_value(Cover self, SparseStringKey a0, IMP::String a1)
5426 set_value(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5428 return _IMP_core.Cover_set_value(self, *args)
5430 def remove_attribute(self, *args):
5432 remove_attribute(Cover self, FloatKey a0)
5433 remove_attribute(Cover self, IntKey a0)
5434 remove_attribute(Cover self, FloatsKey a0)
5435 remove_attribute(Cover self, IntsKey a0)
5436 remove_attribute(Cover self, StringKey a0)
5437 remove_attribute(Cover self, ParticleIndexKey a0)
5438 remove_attribute(Cover self, ObjectKey a0)
5439 remove_attribute(Cover self, SparseFloatKey a0)
5440 remove_attribute(Cover self, SparseIntKey a0)
5441 remove_attribute(Cover self, SparseStringKey a0)
5442 remove_attribute(Cover self, SparseParticleIndexKey a0)
5444 return _IMP_core.Cover_remove_attribute(self, *args)
5446 def has_attribute(self, *args):
5448 has_attribute(Cover self, FloatKey a0) -> bool
5449 has_attribute(Cover self, IntKey a0) -> bool
5450 has_attribute(Cover self, FloatsKey a0) -> bool
5451 has_attribute(Cover self, IntsKey a0) -> bool
5452 has_attribute(Cover self, StringKey a0) -> bool
5453 has_attribute(Cover self, ParticleIndexKey a0) -> bool
5454 has_attribute(Cover self, ObjectKey a0) -> bool
5455 has_attribute(Cover self, SparseFloatKey a0) -> bool
5456 has_attribute(Cover self, SparseIntKey a0) -> bool
5457 has_attribute(Cover self, SparseStringKey a0) -> bool
5458 has_attribute(Cover self, SparseParticleIndexKey a0) -> bool
5460 return _IMP_core.Cover_has_attribute(self, *args)
5462 def get_derivative(self, a0):
5463 r"""get_derivative(Cover self, FloatKey a0) -> double"""
5464 return _IMP_core.Cover_get_derivative(self, a0)
5467 r"""get_name(Cover self) -> std::string"""
5468 return _IMP_core.Cover_get_name(self)
5470 def clear_caches(self):
5471 r"""clear_caches(Cover self)"""
5472 return _IMP_core.Cover_clear_caches(self)
5474 def set_name(self, a0):
5475 r"""set_name(Cover self, std::string a0)"""
5476 return _IMP_core.Cover_set_name(self, a0)
5479 r"""set_check_level(Cover self, IMP::CheckLevel a0)"""
5480 return _IMP_core.Cover_set_check_level(self, a0)
5482 def add_to_derivative(self, a0, a1, a2):
5483 r"""add_to_derivative(Cover self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5484 return _IMP_core.Cover_add_to_derivative(self, a0, a1, a2)
5486 def set_is_optimized(self, a0, a1):
5487 r"""set_is_optimized(Cover self, FloatKey a0, bool a1)"""
5488 return _IMP_core.Cover_set_is_optimized(self, a0, a1)
5490 def get_is_optimized(self, a0):
5491 r"""get_is_optimized(Cover self, FloatKey a0) -> bool"""
5492 return _IMP_core.Cover_get_is_optimized(self, a0)
5495 r"""get_check_level(Cover self) -> IMP::CheckLevel"""
5496 return _IMP_core.Cover_get_check_level(self)
5498 def __eq__(self, *args):
5500 __eq__(Cover self, Cover o) -> bool
5501 __eq__(Cover self, Particle d) -> bool
5503 return _IMP_core.Cover___eq__(self, *args)
5505 def __ne__(self, *args):
5507 __ne__(Cover self, Cover o) -> bool
5508 __ne__(Cover self, Particle d) -> bool
5510 return _IMP_core.Cover___ne__(self, *args)
5512 def __le__(self, *args):
5514 __le__(Cover self, Cover o) -> bool
5515 __le__(Cover self, Particle d) -> bool
5517 return _IMP_core.Cover___le__(self, *args)
5519 def __lt__(self, *args):
5521 __lt__(Cover self, Cover o) -> bool
5522 __lt__(Cover self, Particle d) -> bool
5524 return _IMP_core.Cover___lt__(self, *args)
5526 def __ge__(self, *args):
5528 __ge__(Cover self, Cover o) -> bool
5529 __ge__(Cover self, Particle d) -> bool
5531 return _IMP_core.Cover___ge__(self, *args)
5533 def __gt__(self, *args):
5535 __gt__(Cover self, Cover o) -> bool
5536 __gt__(Cover self, Particle d) -> bool
5538 return _IMP_core.Cover___gt__(self, *args)
5541 r"""__hash__(Cover self) -> std::size_t"""
5542 return _IMP_core.Cover___hash__(self)
5545 r"""__str__(Cover self) -> std::string"""
5546 return _IMP_core.Cover___str__(self)
5549 r"""__repr__(Cover self) -> std::string"""
5550 return _IMP_core.Cover___repr__(self)
5552 def _get_as_binary(self):
5553 r"""_get_as_binary(Cover self) -> PyObject *"""
5554 return _IMP_core.Cover__get_as_binary(self)
5556 def _set_from_binary(self, p):
5557 r"""_set_from_binary(Cover self, PyObject * p)"""
5558 return _IMP_core.Cover__set_from_binary(self, p)
5560 def __getstate__(self):
5561 p = self._get_as_binary()
5562 if len(self.__dict__) > 1:
5563 d = self.__dict__.copy()
5568 def __setstate__(self, p):
5569 if not hasattr(self,
'this'):
5571 if isinstance(p, tuple):
5573 self.__dict__.update(d)
5574 return self._set_from_binary(p)
5576 __swig_destroy__ = _IMP_core.delete_Cover
5579 _IMP_core.Cover_swigregister(Cover)
5581 r"""Proxy of C++ IMP::core::DerivativesFromRefined class."""
5583 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5585 def __init__(self, *args):
5586 r"""__init__(DerivativesFromRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesFromRefined"""
5587 _IMP_core.DerivativesFromRefined_swiginit(self, _IMP_core.new_DerivativesFromRefined(*args))
5589 def do_get_inputs(self, m, pis):
5590 r"""do_get_inputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5591 return _IMP_core.DerivativesFromRefined_do_get_inputs(self, m, pis)
5593 def do_get_outputs(self, m, pis):
5594 r"""do_get_outputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5595 return _IMP_core.DerivativesFromRefined_do_get_outputs(self, m, pis)
5597 def get_version_info(self):
5598 r"""get_version_info(DerivativesFromRefined self) -> VersionInfo"""
5599 return _IMP_core.DerivativesFromRefined_get_version_info(self)
5600 __swig_destroy__ = _IMP_core.delete_DerivativesFromRefined
5603 r"""__str__(DerivativesFromRefined self) -> std::string"""
5604 return _IMP_core.DerivativesFromRefined___str__(self)
5607 r"""__repr__(DerivativesFromRefined self) -> std::string"""
5608 return _IMP_core.DerivativesFromRefined___repr__(self)
5612 return _object_cast_to_DerivativesFromRefined(o)
5616 _IMP_core.DerivativesFromRefined_swigregister(DerivativesFromRefined)
5618 r"""Proxy of C++ IMP::core::DerivativesToRefined class."""
5620 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5622 def __init__(self, *args):
5624 __init__(DerivativesToRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesToRefined
5625 __init__(DerivativesToRefined self) -> DerivativesToRefined
5627 _IMP_core.DerivativesToRefined_swiginit(self, _IMP_core.new_DerivativesToRefined(*args))
5629 def do_get_inputs(self, m, pis):
5630 r"""do_get_inputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5631 return _IMP_core.DerivativesToRefined_do_get_inputs(self, m, pis)
5633 def do_get_outputs(self, m, pis):
5634 r"""do_get_outputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5635 return _IMP_core.DerivativesToRefined_do_get_outputs(self, m, pis)
5637 def get_version_info(self):
5638 r"""get_version_info(DerivativesToRefined self) -> VersionInfo"""
5639 return _IMP_core.DerivativesToRefined_get_version_info(self)
5640 __swig_destroy__ = _IMP_core.delete_DerivativesToRefined
5643 r"""__str__(DerivativesToRefined self) -> std::string"""
5644 return _IMP_core.DerivativesToRefined___str__(self)
5647 r"""__repr__(DerivativesToRefined self) -> std::string"""
5648 return _IMP_core.DerivativesToRefined___repr__(self)
5652 return _object_cast_to_DerivativesToRefined(o)
5655 def _get_as_binary(self):
5656 r"""_get_as_binary(DerivativesToRefined self) -> PyObject *"""
5657 return _IMP_core.DerivativesToRefined__get_as_binary(self)
5659 def _set_from_binary(self, p):
5660 r"""_set_from_binary(DerivativesToRefined self, PyObject * p)"""
5661 return _IMP_core.DerivativesToRefined__set_from_binary(self, p)
5663 def __getstate__(self):
5664 p = self._get_as_binary()
5665 if len(self.__dict__) > 1:
5666 d = self.__dict__.copy()
5671 def __setstate__(self, p):
5672 if not hasattr(self,
'this'):
5674 if isinstance(p, tuple):
5676 self.__dict__.update(d)
5677 return self._set_from_binary(p)
5681 _IMP_core.DerivativesToRefined_swigregister(DerivativesToRefined)
5683 r"""Proxy of C++ IMP::core::DiameterRestraint class."""
5685 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5687 def __init__(self, f, sc, diameter):
5688 r"""__init__(DiameterRestraint self, UnaryFunction f, SingletonContainer sc, IMP::Float diameter) -> DiameterRestraint"""
5689 _IMP_core.DiameterRestraint_swiginit(self, _IMP_core.new_DiameterRestraint(f, sc, diameter))
5691 def do_get_inputs(self):
5692 r"""do_get_inputs(DiameterRestraint self) -> IMP::ModelObjectsTemp"""
5693 return _IMP_core.DiameterRestraint_do_get_inputs(self)
5695 def get_version_info(self):
5696 r"""get_version_info(DiameterRestraint self) -> VersionInfo"""
5697 return _IMP_core.DiameterRestraint_get_version_info(self)
5698 __swig_destroy__ = _IMP_core.delete_DiameterRestraint
5700 def do_create_decomposition(self):
5701 r"""do_create_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5702 return _IMP_core.DiameterRestraint_do_create_decomposition(self)
5704 def do_create_current_decomposition(self):
5705 r"""do_create_current_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5706 return _IMP_core.DiameterRestraint_do_create_current_decomposition(self)
5709 r"""__str__(DiameterRestraint self) -> std::string"""
5710 return _IMP_core.DiameterRestraint___str__(self)
5713 r"""__repr__(DiameterRestraint self) -> std::string"""
5714 return _IMP_core.DiameterRestraint___repr__(self)
5718 return _object_cast_to_DiameterRestraint(o)
5722 _IMP_core.DiameterRestraint_swigregister(DiameterRestraint)
5724 r"""Proxy of C++ IMP::core::Transform class."""
5726 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5728 def __init__(self, *args):
5730 __init__(Transform self, Transformation3D t, bool ignore_non_xyz=False) -> Transform
5731 __init__(Transform self) -> Transform
5733 _IMP_core.Transform_swiginit(self, _IMP_core.new_Transform(*args))
5735 def do_get_inputs(self, m, pis):
5736 r"""do_get_inputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5737 return _IMP_core.Transform_do_get_inputs(self, m, pis)
5739 def do_get_outputs(self, m, pis):
5740 r"""do_get_outputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5741 return _IMP_core.Transform_do_get_outputs(self, m, pis)
5743 def get_version_info(self):
5744 r"""get_version_info(Transform self) -> VersionInfo"""
5745 return _IMP_core.Transform_get_version_info(self)
5746 __swig_destroy__ = _IMP_core.delete_Transform
5749 r"""__str__(Transform self) -> std::string"""
5750 return _IMP_core.Transform___str__(self)
5753 r"""__repr__(Transform self) -> std::string"""
5754 return _IMP_core.Transform___repr__(self)
5758 return _object_cast_to_Transform(o)
5761 def _get_as_binary(self):
5762 r"""_get_as_binary(Transform self) -> PyObject *"""
5763 return _IMP_core.Transform__get_as_binary(self)
5765 def _set_from_binary(self, p):
5766 r"""_set_from_binary(Transform self, PyObject * p)"""
5767 return _IMP_core.Transform__set_from_binary(self, p)
5769 def __getstate__(self):
5770 p = self._get_as_binary()
5771 if len(self.__dict__) > 1:
5772 d = self.__dict__.copy()
5777 def __setstate__(self, p):
5778 if not hasattr(self,
'this'):
5780 if isinstance(p, tuple):
5782 self.__dict__.update(d)
5783 return self._set_from_binary(p)
5787 _IMP_core.Transform_swigregister(Transform)
5789 r"""Proxy of C++ IMP::core::Reference class."""
5791 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5793 def __init__(self, *args):
5795 __init__(Reference self) -> Reference
5796 __init__(Reference self, Model m, ParticleIndex id) -> Reference
5797 __init__(Reference self, _ParticleAdaptor d) -> Reference
5799 _IMP_core.Reference_swiginit(self, _IMP_core.new_Reference(*args))
5801 def show(self, *args):
5802 r"""show(Reference self, _ostream out=std::cout)"""
5803 return _IMP_core.Reference_show(self, *args)
5806 def setup_particle(*args):
5808 setup_particle(Model m, ParticleIndex pi, _ParticleIndexAdaptor reference) -> Reference
5809 setup_particle(_ParticleAdaptor pa, _ParticleIndexAdaptor reference) -> Reference
5811 return _IMP_core.Reference_setup_particle(*args)
5813 def get_reference_particle(self):
5814 r"""get_reference_particle(Reference self) -> Particle"""
5815 return _IMP_core.Reference_get_reference_particle(self)
5818 def get_is_setup(*args):
5820 get_is_setup(_ParticleAdaptor p) -> bool
5821 get_is_setup(Model m, ParticleIndex pi) -> bool
5823 return _IMP_core.Reference_get_is_setup(*args)
5826 def get_reference_key():
5827 r"""get_reference_key() -> ParticleIndexKey"""
5828 return _IMP_core.Reference_get_reference_key()
5830 def add_attribute(self, *args):
5832 add_attribute(Reference self, FloatKey k, IMP::Float v, bool opt)
5833 add_attribute(Reference self, FloatKey a0, IMP::Float a1)
5834 add_attribute(Reference self, IntKey a0, IMP::Int a1)
5835 add_attribute(Reference self, FloatsKey a0, IMP::Floats a1)
5836 add_attribute(Reference self, IntsKey a0, IMP::Ints a1)
5837 add_attribute(Reference self, StringKey a0, IMP::String a1)
5838 add_attribute(Reference self, ParticleIndexKey a0, Particle a1)
5839 add_attribute(Reference self, ObjectKey a0, Object a1)
5840 add_attribute(Reference self, SparseFloatKey a0, IMP::Float a1)
5841 add_attribute(Reference self, SparseIntKey a0, IMP::Int a1)
5842 add_attribute(Reference self, SparseStringKey a0, IMP::String a1)
5843 add_attribute(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5845 return _IMP_core.Reference_add_attribute(self, *args)
5847 def get_value(self, *args):
5849 get_value(Reference self, FloatKey a0) -> IMP::Float
5850 get_value(Reference self, IntKey a0) -> IMP::Int
5851 get_value(Reference self, FloatsKey a0) -> IMP::Floats
5852 get_value(Reference self, IntsKey a0) -> IMP::Ints
5853 get_value(Reference self, StringKey a0) -> IMP::String
5854 get_value(Reference self, ParticleIndexKey a0) -> Particle
5855 get_value(Reference self, ObjectKey a0) -> Object
5856 get_value(Reference self, SparseFloatKey a0) -> IMP::Float
5857 get_value(Reference self, SparseIntKey a0) -> IMP::Int
5858 get_value(Reference self, SparseStringKey a0) -> IMP::String
5859 get_value(Reference self, SparseParticleIndexKey a0) -> ParticleIndex
5861 return _IMP_core.Reference_get_value(self, *args)
5863 def set_value(self, *args):
5865 set_value(Reference self, FloatKey a0, IMP::Float a1)
5866 set_value(Reference self, IntKey a0, IMP::Int a1)
5867 set_value(Reference self, FloatsKey a0, IMP::Floats a1)
5868 set_value(Reference self, IntsKey a0, IMP::Ints a1)
5869 set_value(Reference self, StringKey a0, IMP::String a1)
5870 set_value(Reference self, ParticleIndexKey a0, Particle a1)
5871 set_value(Reference self, ObjectKey a0, Object a1)
5872 set_value(Reference self, SparseFloatKey a0, IMP::Float a1)
5873 set_value(Reference self, SparseIntKey a0, IMP::Int a1)
5874 set_value(Reference self, SparseStringKey a0, IMP::String a1)
5875 set_value(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5877 return _IMP_core.Reference_set_value(self, *args)
5879 def remove_attribute(self, *args):
5881 remove_attribute(Reference self, FloatKey a0)
5882 remove_attribute(Reference self, IntKey a0)
5883 remove_attribute(Reference self, FloatsKey a0)
5884 remove_attribute(Reference self, IntsKey a0)
5885 remove_attribute(Reference self, StringKey a0)
5886 remove_attribute(Reference self, ParticleIndexKey a0)
5887 remove_attribute(Reference self, ObjectKey a0)
5888 remove_attribute(Reference self, SparseFloatKey a0)
5889 remove_attribute(Reference self, SparseIntKey a0)
5890 remove_attribute(Reference self, SparseStringKey a0)
5891 remove_attribute(Reference self, SparseParticleIndexKey a0)
5893 return _IMP_core.Reference_remove_attribute(self, *args)
5895 def has_attribute(self, *args):
5897 has_attribute(Reference self, FloatKey a0) -> bool
5898 has_attribute(Reference self, IntKey a0) -> bool
5899 has_attribute(Reference self, FloatsKey a0) -> bool
5900 has_attribute(Reference self, IntsKey a0) -> bool
5901 has_attribute(Reference self, StringKey a0) -> bool
5902 has_attribute(Reference self, ParticleIndexKey a0) -> bool
5903 has_attribute(Reference self, ObjectKey a0) -> bool
5904 has_attribute(Reference self, SparseFloatKey a0) -> bool
5905 has_attribute(Reference self, SparseIntKey a0) -> bool
5906 has_attribute(Reference self, SparseStringKey a0) -> bool
5907 has_attribute(Reference self, SparseParticleIndexKey a0) -> bool
5909 return _IMP_core.Reference_has_attribute(self, *args)
5911 def get_derivative(self, a0):
5912 r"""get_derivative(Reference self, FloatKey a0) -> double"""
5913 return _IMP_core.Reference_get_derivative(self, a0)
5916 r"""get_name(Reference self) -> std::string"""
5917 return _IMP_core.Reference_get_name(self)
5919 def clear_caches(self):
5920 r"""clear_caches(Reference self)"""
5921 return _IMP_core.Reference_clear_caches(self)
5923 def set_name(self, a0):
5924 r"""set_name(Reference self, std::string a0)"""
5925 return _IMP_core.Reference_set_name(self, a0)
5928 r"""set_check_level(Reference self, IMP::CheckLevel a0)"""
5929 return _IMP_core.Reference_set_check_level(self, a0)
5931 def add_to_derivative(self, a0, a1, a2):
5932 r"""add_to_derivative(Reference self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5933 return _IMP_core.Reference_add_to_derivative(self, a0, a1, a2)
5935 def set_is_optimized(self, a0, a1):
5936 r"""set_is_optimized(Reference self, FloatKey a0, bool a1)"""
5937 return _IMP_core.Reference_set_is_optimized(self, a0, a1)
5939 def get_is_optimized(self, a0):
5940 r"""get_is_optimized(Reference self, FloatKey a0) -> bool"""
5941 return _IMP_core.Reference_get_is_optimized(self, a0)
5944 r"""get_check_level(Reference self) -> IMP::CheckLevel"""
5945 return _IMP_core.Reference_get_check_level(self)
5947 def __eq__(self, *args):
5949 __eq__(Reference self, Reference o) -> bool
5950 __eq__(Reference self, Particle d) -> bool
5952 return _IMP_core.Reference___eq__(self, *args)
5954 def __ne__(self, *args):
5956 __ne__(Reference self, Reference o) -> bool
5957 __ne__(Reference self, Particle d) -> bool
5959 return _IMP_core.Reference___ne__(self, *args)
5961 def __le__(self, *args):
5963 __le__(Reference self, Reference o) -> bool
5964 __le__(Reference self, Particle d) -> bool
5966 return _IMP_core.Reference___le__(self, *args)
5968 def __lt__(self, *args):
5970 __lt__(Reference self, Reference o) -> bool
5971 __lt__(Reference self, Particle d) -> bool
5973 return _IMP_core.Reference___lt__(self, *args)
5975 def __ge__(self, *args):
5977 __ge__(Reference self, Reference o) -> bool
5978 __ge__(Reference self, Particle d) -> bool
5980 return _IMP_core.Reference___ge__(self, *args)
5982 def __gt__(self, *args):
5984 __gt__(Reference self, Reference o) -> bool
5985 __gt__(Reference self, Particle d) -> bool
5987 return _IMP_core.Reference___gt__(self, *args)
5990 r"""__hash__(Reference self) -> std::size_t"""
5991 return _IMP_core.Reference___hash__(self)
5994 r"""__str__(Reference self) -> std::string"""
5995 return _IMP_core.Reference___str__(self)
5998 r"""__repr__(Reference self) -> std::string"""
5999 return _IMP_core.Reference___repr__(self)
6001 def _get_as_binary(self):
6002 r"""_get_as_binary(Reference self) -> PyObject *"""
6003 return _IMP_core.Reference__get_as_binary(self)
6005 def _set_from_binary(self, p):
6006 r"""_set_from_binary(Reference self, PyObject * p)"""
6007 return _IMP_core.Reference__set_from_binary(self, p)
6009 def __getstate__(self):
6010 p = self._get_as_binary()
6011 if len(self.__dict__) > 1:
6012 d = self.__dict__.copy()
6017 def __setstate__(self, p):
6018 if not hasattr(self,
'this'):
6020 if isinstance(p, tuple):
6022 self.__dict__.update(d)
6023 return self._set_from_binary(p)
6025 __swig_destroy__ = _IMP_core.delete_Reference
6028 _IMP_core.Reference_swigregister(Reference)
6030 r"""Proxy of C++ IMP::core::TransformationAndReflectionSymmetry class."""
6032 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6034 def __init__(self, t, r):
6035 r"""__init__(TransformationAndReflectionSymmetry self, Transformation3D t, Reflection3D r) -> TransformationAndReflectionSymmetry"""
6036 _IMP_core.TransformationAndReflectionSymmetry_swiginit(self, _IMP_core.new_TransformationAndReflectionSymmetry(t, r))
6038 def do_get_inputs(self, m, pis):
6039 r"""do_get_inputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6040 return _IMP_core.TransformationAndReflectionSymmetry_do_get_inputs(self, m, pis)
6042 def do_get_outputs(self, m, pis):
6043 r"""do_get_outputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6044 return _IMP_core.TransformationAndReflectionSymmetry_do_get_outputs(self, m, pis)
6046 def get_version_info(self):
6047 r"""get_version_info(TransformationAndReflectionSymmetry self) -> VersionInfo"""
6048 return _IMP_core.TransformationAndReflectionSymmetry_get_version_info(self)
6049 __swig_destroy__ = _IMP_core.delete_TransformationAndReflectionSymmetry
6052 r"""__str__(TransformationAndReflectionSymmetry self) -> std::string"""
6053 return _IMP_core.TransformationAndReflectionSymmetry___str__(self)
6056 r"""__repr__(TransformationAndReflectionSymmetry self) -> std::string"""
6057 return _IMP_core.TransformationAndReflectionSymmetry___repr__(self)
6061 return _object_cast_to_TransformationAndReflectionSymmetry(o)
6065 _IMP_core.TransformationAndReflectionSymmetry_swigregister(TransformationAndReflectionSymmetry)
6067 r"""Proxy of C++ IMP::core::TransformationSymmetry class."""
6069 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6071 def __init__(self, *args):
6073 __init__(TransformationSymmetry self, Transformation3D t) -> TransformationSymmetry
6074 __init__(TransformationSymmetry self, ParticleIndex rb_pi) -> TransformationSymmetry
6076 _IMP_core.TransformationSymmetry_swiginit(self, _IMP_core.new_TransformationSymmetry(*args))
6078 def get_transformation(self):
6079 r"""get_transformation(TransformationSymmetry self) -> Transformation3D"""
6080 return _IMP_core.TransformationSymmetry_get_transformation(self)
6082 def set_transformation(self, t):
6083 r"""set_transformation(TransformationSymmetry self, Transformation3D t)"""
6084 return _IMP_core.TransformationSymmetry_set_transformation(self, t)
6086 def do_get_inputs(self, m, pis):
6087 r"""do_get_inputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6088 return _IMP_core.TransformationSymmetry_do_get_inputs(self, m, pis)
6090 def do_get_outputs(self, m, pis):
6091 r"""do_get_outputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6092 return _IMP_core.TransformationSymmetry_do_get_outputs(self, m, pis)
6094 def get_version_info(self):
6095 r"""get_version_info(TransformationSymmetry self) -> VersionInfo"""
6096 return _IMP_core.TransformationSymmetry_get_version_info(self)
6097 __swig_destroy__ = _IMP_core.delete_TransformationSymmetry
6100 r"""__str__(TransformationSymmetry self) -> std::string"""
6101 return _IMP_core.TransformationSymmetry___str__(self)
6104 r"""__repr__(TransformationSymmetry self) -> std::string"""
6105 return _IMP_core.TransformationSymmetry___repr__(self)
6109 return _object_cast_to_TransformationSymmetry(o)
6113 _IMP_core.TransformationSymmetry_swigregister(TransformationSymmetry)
6114 class TransformationSymmetryMover(MonteCarloMover):
6115 r"""Proxy of C++ IMP::core::TransformationSymmetryMover class."""
6117 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6119 def __init__(self, m, symm, pivot, max_translation, max_rotation):
6120 r"""__init__(TransformationSymmetryMover self, Model m, TransformationSymmetry symm, ParticleIndex pivot, IMP::Float max_translation, IMP::Float max_rotation) -> TransformationSymmetryMover"""
6121 _IMP_core.TransformationSymmetryMover_swiginit(self, _IMP_core.new_TransformationSymmetryMover(m, symm, pivot, max_translation, max_rotation))
6123 def set_maximum_translation(self, mt):
6124 r"""set_maximum_translation(TransformationSymmetryMover self, IMP::Float mt)"""
6125 return _IMP_core.TransformationSymmetryMover_set_maximum_translation(self, mt)
6127 def set_maximum_rotation(self, mr):
6128 r"""set_maximum_rotation(TransformationSymmetryMover self, IMP::Float mr)"""
6129 return _IMP_core.TransformationSymmetryMover_set_maximum_rotation(self, mr)
6131 def get_maximum_translation(self):
6132 r"""get_maximum_translation(TransformationSymmetryMover self) -> IMP::Float"""
6133 return _IMP_core.TransformationSymmetryMover_get_maximum_translation(self)
6135 def get_maximum_rotation(self):
6136 r"""get_maximum_rotation(TransformationSymmetryMover self) -> IMP::Float"""
6137 return _IMP_core.TransformationSymmetryMover_get_maximum_rotation(self)
6139 def get_version_info(self):
6140 r"""get_version_info(TransformationSymmetryMover self) -> VersionInfo"""
6141 return _IMP_core.TransformationSymmetryMover_get_version_info(self)
6142 __swig_destroy__ = _IMP_core.delete_TransformationSymmetryMover
6145 r"""__str__(TransformationSymmetryMover self) -> std::string"""
6146 return _IMP_core.TransformationSymmetryMover___str__(self)
6149 r"""__repr__(TransformationSymmetryMover self) -> std::string"""
6150 return _IMP_core.TransformationSymmetryMover___repr__(self)
6154 return _object_cast_to_TransformationSymmetryMover(o)
6158 _IMP_core.TransformationSymmetryMover_swigregister(TransformationSymmetryMover)
6160 r"""Proxy of C++ IMP::core::DistancePairScore class."""
6162 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6164 def __init__(self, *args):
6166 __init__(DistancePairScore self, UnaryFunction uf, std::string name="DistancePairScore%1%") -> DistancePairScore
6167 __init__(DistancePairScore self) -> DistancePairScore
6169 _IMP_core.DistancePairScore_swiginit(self, _IMP_core.new_DistancePairScore(*args))
6171 def do_get_inputs(self, m, pis):
6172 r"""do_get_inputs(DistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6173 return _IMP_core.DistancePairScore_do_get_inputs(self, m, pis)
6175 def get_score_functor(self, *args):
6177 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
6178 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
6180 return _IMP_core.DistancePairScore_get_score_functor(self, *args)
6182 def get_version_info(self):
6183 r"""get_version_info(DistancePairScore self) -> VersionInfo"""
6184 return _IMP_core.DistancePairScore_get_version_info(self)
6185 __swig_destroy__ = _IMP_core.delete_DistancePairScore
6188 r"""__str__(DistancePairScore self) -> std::string"""
6189 return _IMP_core.DistancePairScore___str__(self)
6192 r"""__repr__(DistancePairScore self) -> std::string"""
6193 return _IMP_core.DistancePairScore___repr__(self)
6197 return _object_cast_to_DistancePairScore(o)
6200 def _get_as_binary(self):
6201 r"""_get_as_binary(DistancePairScore self) -> PyObject *"""
6202 return _IMP_core.DistancePairScore__get_as_binary(self)
6204 def _set_from_binary(self, p):
6205 r"""_set_from_binary(DistancePairScore self, PyObject * p)"""
6206 return _IMP_core.DistancePairScore__set_from_binary(self, p)
6208 def __getstate__(self):
6209 p = self._get_as_binary()
6210 if len(self.__dict__) > 1:
6211 d = self.__dict__.copy()
6216 def __setstate__(self, p):
6217 if not hasattr(self,
'this'):
6219 if isinstance(p, tuple):
6221 self.__dict__.update(d)
6222 return self._set_from_binary(p)
6225 def _get_jax(self, m, indexes, space):
6226 import jax.numpy
as jnp
6227 def jax_score(jm, uf):
6228 xyzs = jm[
'xyz'][indexes]
6229 diff = xyzs[:,0] - xyzs[:,1]
6230 drs = space.distance(diff)
6232 sfnc = self.get_score_functor()
6233 uf = sfnc.get_unary_function().get_derived_object()
6234 f = functools.partial(jax_score, uf=uf._get_jax())
6235 return self._wrap_jax(m, f)
6239 _IMP_core.DistancePairScore_swigregister(DistancePairScore)
6241 r"""Proxy of C++ IMP::core::HarmonicDistancePairScore class."""
6243 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6245 def __init__(self, *args):
6247 __init__(HarmonicDistancePairScore self, double x0, double k, std::string name="HarmonicDistancePairScore%1%") -> HarmonicDistancePairScore
6248 __init__(HarmonicDistancePairScore self) -> HarmonicDistancePairScore
6250 _IMP_core.HarmonicDistancePairScore_swiginit(self, _IMP_core.new_HarmonicDistancePairScore(*args))
6252 def do_get_inputs(self, m, pis):
6253 r"""do_get_inputs(HarmonicDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6254 return _IMP_core.HarmonicDistancePairScore_do_get_inputs(self, m, pis)
6256 def get_score_functor(self, *args):
6258 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore
6259 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore const &
6261 return _IMP_core.HarmonicDistancePairScore_get_score_functor(self, *args)
6264 r"""get_x0(HarmonicDistancePairScore self) -> double"""
6265 return _IMP_core.HarmonicDistancePairScore_get_x0(self)
6268 r"""get_k(HarmonicDistancePairScore self) -> double"""
6269 return _IMP_core.HarmonicDistancePairScore_get_k(self)
6271 def get_version_info(self):
6272 r"""get_version_info(HarmonicDistancePairScore self) -> VersionInfo"""
6273 return _IMP_core.HarmonicDistancePairScore_get_version_info(self)
6274 __swig_destroy__ = _IMP_core.delete_HarmonicDistancePairScore
6277 r"""__str__(HarmonicDistancePairScore self) -> std::string"""
6278 return _IMP_core.HarmonicDistancePairScore___str__(self)
6281 r"""__repr__(HarmonicDistancePairScore self) -> std::string"""
6282 return _IMP_core.HarmonicDistancePairScore___repr__(self)
6286 return _object_cast_to_HarmonicDistancePairScore(o)
6289 def _get_as_binary(self):
6290 r"""_get_as_binary(HarmonicDistancePairScore self) -> PyObject *"""
6291 return _IMP_core.HarmonicDistancePairScore__get_as_binary(self)
6293 def _set_from_binary(self, p):
6294 r"""_set_from_binary(HarmonicDistancePairScore self, PyObject * p)"""
6295 return _IMP_core.HarmonicDistancePairScore__set_from_binary(self, p)
6297 def __getstate__(self):
6298 p = self._get_as_binary()
6299 if len(self.__dict__) > 1:
6300 d = self.__dict__.copy()
6305 def __setstate__(self, p):
6306 if not hasattr(self,
'this'):
6308 if isinstance(p, tuple):
6310 self.__dict__.update(d)
6311 return self._set_from_binary(p)
6314 def _get_jax(self, m, indexes, space):
6315 import jax.numpy
as jnp
6316 def jax_harmonic_distance_pair_score(jm, d, k):
6317 xyzs = jm[
'xyz'][indexes]
6318 diff = xyzs[:,0] - xyzs[:,1]
6319 drs = space.distance(diff)
6320 return 0.5 * k * (d - drs)**2
6321 f = functools.partial(jax_harmonic_distance_pair_score,
6322 d=self.get_x0(), k=self.get_k())
6323 return self._wrap_jax(m, f)
6327 _IMP_core.HarmonicDistancePairScore_swigregister(HarmonicDistancePairScore)
6329 r"""Proxy of C++ IMP::core::DistanceRestraint class."""
6331 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6333 def __init__(self, *args):
6335 __init__(DistanceRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor a, _ParticleIndexAdaptor b, std::string name="DistanceRestraint %1%") -> DistanceRestraint
6336 __init__(DistanceRestraint self) -> DistanceRestraint
6338 _IMP_core.DistanceRestraint_swiginit(self, _IMP_core.new_DistanceRestraint(*args))
6340 def get_score_object(self):
6341 r"""get_score_object(DistanceRestraint self) -> DistancePairScore"""
6342 return _IMP_core.DistanceRestraint_get_score_object(self)
6345 r"""get_index(DistanceRestraint self) -> IMP::core::DistancePairScore::IndexArgument"""
6346 return _IMP_core.DistanceRestraint_get_index(self)
6348 def get_version_info(self):
6349 r"""get_version_info(DistanceRestraint self) -> VersionInfo"""
6350 return _IMP_core.DistanceRestraint_get_version_info(self)
6351 __swig_destroy__ = _IMP_core.delete_DistanceRestraint
6354 r"""__str__(DistanceRestraint self) -> std::string"""
6355 return _IMP_core.DistanceRestraint___str__(self)
6358 r"""__repr__(DistanceRestraint self) -> std::string"""
6359 return _IMP_core.DistanceRestraint___repr__(self)
6363 return _object_cast_to_DistanceRestraint(o)
6366 def _get_as_binary(self):
6367 r"""_get_as_binary(DistanceRestraint self) -> PyObject *"""
6368 return _IMP_core.DistanceRestraint__get_as_binary(self)
6370 def _set_from_binary(self, p):
6371 r"""_set_from_binary(DistanceRestraint self, PyObject * p)"""
6372 return _IMP_core.DistanceRestraint__set_from_binary(self, p)
6374 def __getstate__(self):
6375 p = self._get_as_binary()
6376 if len(self.__dict__) > 1:
6377 d = self.__dict__.copy()
6382 def __setstate__(self, p):
6383 if not hasattr(self,
'this'):
6385 if isinstance(p, tuple):
6387 self.__dict__.update(d)
6388 return self._set_from_binary(p)
6391 def _get_jax(self, space):
6392 import jax.numpy
as jnp
6393 import IMP._jax_util
6394 ps = self.get_score_object()
6395 indexes = jnp.array([self.get_index()])
6396 ji = ps._get_jax(self.get_model(), indexes, space=space)
6398 return jnp.sum(ji.score_func(jm))
6399 return self._wrap_jax(score)
6403 _IMP_core.DistanceRestraint_swigregister(DistanceRestraint)
6405 r"""Proxy of C++ IMP::core::SphereDistanceToSingletonScore class."""
6407 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6409 def __init__(self, f, pt):
6410 r"""__init__(SphereDistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> SphereDistanceToSingletonScore"""
6411 _IMP_core.SphereDistanceToSingletonScore_swiginit(self, _IMP_core.new_SphereDistanceToSingletonScore(f, pt))
6413 def do_get_inputs(self, m, pis):
6414 r"""do_get_inputs(SphereDistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6415 return _IMP_core.SphereDistanceToSingletonScore_do_get_inputs(self, m, pis)
6417 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
6418 r"""evaluate_indexes(SphereDistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
6419 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
6421 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
6422 r"""evaluate_indexes_scores(SphereDistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
6423 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
6425 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
6426 r"""evaluate_indexes_delta(SphereDistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
6427 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
6429 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
6430 r"""evaluate_if_good_indexes(SphereDistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
6431 return _IMP_core.SphereDistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
6433 def get_version_info(self):
6434 r"""get_version_info(SphereDistanceToSingletonScore self) -> VersionInfo"""
6435 return _IMP_core.SphereDistanceToSingletonScore_get_version_info(self)
6436 __swig_destroy__ = _IMP_core.delete_SphereDistanceToSingletonScore
6439 r"""__str__(SphereDistanceToSingletonScore self) -> std::string"""
6440 return _IMP_core.SphereDistanceToSingletonScore___str__(self)
6443 r"""__repr__(SphereDistanceToSingletonScore self) -> std::string"""
6444 return _IMP_core.SphereDistanceToSingletonScore___repr__(self)
6448 return _object_cast_to_SphereDistanceToSingletonScore(o)
6452 _IMP_core.SphereDistanceToSingletonScore_swigregister(SphereDistanceToSingletonScore)
6454 r"""Proxy of C++ IMP::core::ExcludedVolumeRestraint class."""
6456 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6458 def __init__(self, *args):
6459 r"""__init__(ExcludedVolumeRestraint self, _SingletonContainerAdaptor sc, double k=1, double slack=10, std::string name="ExcludedVolumeRestraint%1%") -> ExcludedVolumeRestraint"""
6460 _IMP_core.ExcludedVolumeRestraint_swiginit(self, _IMP_core.new_ExcludedVolumeRestraint(*args))
6462 def do_get_inputs(self):
6463 r"""do_get_inputs(ExcludedVolumeRestraint self) -> IMP::ModelObjectsTemp"""
6464 return _IMP_core.ExcludedVolumeRestraint_do_get_inputs(self)
6466 def get_version_info(self):
6467 r"""get_version_info(ExcludedVolumeRestraint self) -> VersionInfo"""
6468 return _IMP_core.ExcludedVolumeRestraint_get_version_info(self)
6469 __swig_destroy__ = _IMP_core.delete_ExcludedVolumeRestraint
6471 def do_create_decomposition(self):
6472 r"""do_create_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6473 return _IMP_core.ExcludedVolumeRestraint_do_create_decomposition(self)
6475 def do_create_current_decomposition(self):
6476 r"""do_create_current_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6477 return _IMP_core.ExcludedVolumeRestraint_do_create_current_decomposition(self)
6480 r"""get_indexes(ExcludedVolumeRestraint self) -> IMP::ParticleIndexPairs const &"""
6481 return _IMP_core.ExcludedVolumeRestraint_get_indexes(self)
6482 def __get_pair_filters(self):
return IMP._list_util.VarList(getdimfunc=self.get_number_of_pair_filters, getfunc=self.get_pair_filter, erasefunc=self.erase_pair_filter, appendfunc=self.add_pair_filter, extendfunc=self.add_pair_filters, clearfunc=self.clear_pair_filters, indexfunc=self._python_index_pair_filter)
6483 def __set_pair_filters(self, obj): IMP._list_util.set_varlist(self.pair_filters, obj)
6484 def __del_pair_filters(self): IMP._list_util.del_varlist(self.pair_filters)
6485 pair_filters = property(__get_pair_filters, __set_pair_filters, __del_pair_filters, doc=
"List of ##ucnames")
6487 def remove_pair_filter(self, d):
6488 r"""remove_pair_filter(ExcludedVolumeRestraint self, PairPredicate d)"""
6489 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filter(self, d)
6491 def _python_index_pair_filter(self, d, start, stop):
6492 r"""_python_index_pair_filter(ExcludedVolumeRestraint self, PairPredicate d, unsigned int start, unsigned int stop) -> unsigned int"""
6493 return _IMP_core.ExcludedVolumeRestraint__python_index_pair_filter(self, d, start, stop)
6495 def remove_pair_filters(self, d):
6496 r"""remove_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & d)"""
6497 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filters(self, d)
6499 def set_pair_filters(self, ps):
6500 r"""set_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & ps)"""
6501 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters(self, ps)
6503 def set_pair_filters_order(self, objs):
6504 r"""set_pair_filters_order(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6505 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters_order(self, objs)
6507 def add_pair_filter(self, obj):
6508 r"""add_pair_filter(ExcludedVolumeRestraint self, PairPredicate obj) -> unsigned int"""
6509 return _IMP_core.ExcludedVolumeRestraint_add_pair_filter(self, obj)
6511 def add_pair_filters(self, objs):
6512 r"""add_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6513 return _IMP_core.ExcludedVolumeRestraint_add_pair_filters(self, objs)
6515 def clear_pair_filters(self):
6516 r"""clear_pair_filters(ExcludedVolumeRestraint self)"""
6517 return _IMP_core.ExcludedVolumeRestraint_clear_pair_filters(self)
6519 def get_number_of_pair_filters(self):
6520 r"""get_number_of_pair_filters(ExcludedVolumeRestraint self) -> unsigned int"""
6521 return _IMP_core.ExcludedVolumeRestraint_get_number_of_pair_filters(self)
6523 def get_has_pair_filters(self):
6524 r"""get_has_pair_filters(ExcludedVolumeRestraint self) -> bool"""
6525 return _IMP_core.ExcludedVolumeRestraint_get_has_pair_filters(self)
6527 def get_pair_filter(self, i):
6528 r"""get_pair_filter(ExcludedVolumeRestraint self, unsigned int i) -> PairPredicate"""
6529 return _IMP_core.ExcludedVolumeRestraint_get_pair_filter(self, i)
6531 def get_pair_filters(self):
6532 r"""get_pair_filters(ExcludedVolumeRestraint self) -> IMP::PairPredicates"""
6533 return _IMP_core.ExcludedVolumeRestraint_get_pair_filters(self)
6535 def erase_pair_filter(self, i):
6536 r"""erase_pair_filter(ExcludedVolumeRestraint self, unsigned int i)"""
6537 return _IMP_core.ExcludedVolumeRestraint_erase_pair_filter(self, i)
6539 def reserve_pair_filters(self, sz):
6540 r"""reserve_pair_filters(ExcludedVolumeRestraint self, unsigned int sz)"""
6541 return _IMP_core.ExcludedVolumeRestraint_reserve_pair_filters(self, sz)
6544 r"""__str__(ExcludedVolumeRestraint self) -> std::string"""
6545 return _IMP_core.ExcludedVolumeRestraint___str__(self)
6548 r"""__repr__(ExcludedVolumeRestraint self) -> std::string"""
6549 return _IMP_core.ExcludedVolumeRestraint___repr__(self)
6553 return _object_cast_to_ExcludedVolumeRestraint(o)
6557 _IMP_core.ExcludedVolumeRestraint_swigregister(ExcludedVolumeRestraint)
6559 r"""Proxy of C++ IMP::core::FixedRefiner class."""
6561 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6563 def __init__(self, *args):
6565 __init__(FixedRefiner self, IMP::ParticlesTemp const & ps) -> FixedRefiner
6566 __init__(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> FixedRefiner
6567 __init__(FixedRefiner self) -> FixedRefiner
6569 _IMP_core.FixedRefiner_swiginit(self, _IMP_core.new_FixedRefiner(*args))
6571 def do_get_inputs(self, m, pis):
6572 r"""do_get_inputs(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6573 return _IMP_core.FixedRefiner_do_get_inputs(self, m, pis)
6575 def get_version_info(self):
6576 r"""get_version_info(FixedRefiner self) -> VersionInfo"""
6577 return _IMP_core.FixedRefiner_get_version_info(self)
6578 __swig_destroy__ = _IMP_core.delete_FixedRefiner
6581 r"""__str__(FixedRefiner self) -> std::string"""
6582 return _IMP_core.FixedRefiner___str__(self)
6585 r"""__repr__(FixedRefiner self) -> std::string"""
6586 return _IMP_core.FixedRefiner___repr__(self)
6590 return _object_cast_to_FixedRefiner(o)
6593 def _get_as_binary(self):
6594 r"""_get_as_binary(FixedRefiner self) -> PyObject *"""
6595 return _IMP_core.FixedRefiner__get_as_binary(self)
6597 def _set_from_binary(self, p):
6598 r"""_set_from_binary(FixedRefiner self, PyObject * p)"""
6599 return _IMP_core.FixedRefiner__set_from_binary(self, p)
6601 def __getstate__(self):
6602 p = self._get_as_binary()
6603 if len(self.__dict__) > 1:
6604 d = self.__dict__.copy()
6609 def __setstate__(self, p):
6610 if not hasattr(self,
'this'):
6612 if isinstance(p, tuple):
6614 self.__dict__.update(d)
6615 return self._set_from_binary(p)
6619 _IMP_core.FixedRefiner_swigregister(FixedRefiner)
6620 class GridClosePairsFinder(ClosePairsFinder):
6621 r"""Proxy of C++ IMP::core::GridClosePairsFinder class."""
6623 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6626 r"""__init__(GridClosePairsFinder self) -> GridClosePairsFinder"""
6627 _IMP_core.GridClosePairsFinder_swiginit(self, _IMP_core.new_GridClosePairsFinder())
6629 def get_close_pairs(self, *args):
6631 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6632 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6633 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
6634 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
6636 return _IMP_core.GridClosePairsFinder_get_close_pairs(self, *args)
6638 def do_get_inputs(self, m, pis):
6639 r"""do_get_inputs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6640 return _IMP_core.GridClosePairsFinder_do_get_inputs(self, m, pis)
6642 def get_version_info(self):
6643 r"""get_version_info(GridClosePairsFinder self) -> VersionInfo"""
6644 return _IMP_core.GridClosePairsFinder_get_version_info(self)
6645 __swig_destroy__ = _IMP_core.delete_GridClosePairsFinder
6648 r"""__str__(GridClosePairsFinder self) -> std::string"""
6649 return _IMP_core.GridClosePairsFinder___str__(self)
6652 r"""__repr__(GridClosePairsFinder self) -> std::string"""
6653 return _IMP_core.GridClosePairsFinder___repr__(self)
6657 return _object_cast_to_GridClosePairsFinder(o)
6660 def _get_as_binary(self):
6661 r"""_get_as_binary(GridClosePairsFinder self) -> PyObject *"""
6662 return _IMP_core.GridClosePairsFinder__get_as_binary(self)
6664 def _set_from_binary(self, p):
6665 r"""_set_from_binary(GridClosePairsFinder self, PyObject * p)"""
6666 return _IMP_core.GridClosePairsFinder__set_from_binary(self, p)
6668 def __getstate__(self):
6669 p = self._get_as_binary()
6670 if len(self.__dict__) > 1:
6671 d = self.__dict__.copy()
6676 def __setstate__(self, p):
6677 if not hasattr(self,
'this'):
6679 if isinstance(p, tuple):
6681 self.__dict__.update(d)
6682 return self._set_from_binary(p)
6686 _IMP_core.GridClosePairsFinder_swigregister(GridClosePairsFinder)
6688 r"""Proxy of C++ IMP::core::Harmonic class."""
6690 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6692 def __init__(self, *args):
6694 __init__(Harmonic self, IMP::Float mean, IMP::Float k) -> Harmonic
6695 __init__(Harmonic self) -> Harmonic
6697 _IMP_core.Harmonic_swiginit(self, _IMP_core.new_Harmonic(*args))
6699 def get_version_info(self):
6700 r"""get_version_info(Harmonic self) -> VersionInfo"""
6701 return _IMP_core.Harmonic_get_version_info(self)
6702 __swig_destroy__ = _IMP_core.delete_Harmonic
6705 r"""get_mean(Harmonic self) -> IMP::Float"""
6706 return _IMP_core.Harmonic_get_mean(self)
6709 r"""get_k(Harmonic self) -> IMP::Float"""
6710 return _IMP_core.Harmonic_get_k(self)
6712 def set_mean(self, mean):
6713 r"""set_mean(Harmonic self, IMP::Float mean)"""
6714 return _IMP_core.Harmonic_set_mean(self, mean)
6717 r"""set_k(Harmonic self, IMP::Float k)"""
6718 return _IMP_core.Harmonic_set_k(self, k)
6721 def get_k_from_standard_deviation(sd, t=297.15):
6722 r"""get_k_from_standard_deviation(IMP::Float sd, IMP::Float t=297.15) -> IMP::Float"""
6723 return _IMP_core.Harmonic_get_k_from_standard_deviation(sd, t)
6726 r"""__str__(Harmonic self) -> std::string"""
6727 return _IMP_core.Harmonic___str__(self)
6730 r"""__repr__(Harmonic self) -> std::string"""
6731 return _IMP_core.Harmonic___repr__(self)
6735 return _object_cast_to_Harmonic(o)
6738 def _get_as_binary(self):
6739 r"""_get_as_binary(Harmonic self) -> PyObject *"""
6740 return _IMP_core.Harmonic__get_as_binary(self)
6742 def _set_from_binary(self, p):
6743 r"""_set_from_binary(Harmonic self, PyObject * p)"""
6744 return _IMP_core.Harmonic__set_from_binary(self, p)
6746 def __getstate__(self):
6747 p = self._get_as_binary()
6748 if len(self.__dict__) > 1:
6749 d = self.__dict__.copy()
6754 def __setstate__(self, p):
6755 if not hasattr(self,
'this'):
6757 if isinstance(p, tuple):
6759 self.__dict__.update(d)
6760 return self._set_from_binary(p)
6764 def score(val, mean, k):
6765 return 0.5 * k * (mean - val) ** 2
6766 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6770 _IMP_core.Harmonic_swigregister(Harmonic)
6772 r"""Proxy of C++ IMP::core::HarmonicWell class."""
6774 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6776 def __init__(self, well, k):
6777 r"""__init__(HarmonicWell self, IMP::FloatRange const & well, double k) -> HarmonicWell"""
6778 _IMP_core.HarmonicWell_swiginit(self, _IMP_core.new_HarmonicWell(well, k))
6781 r"""get_well(HarmonicWell self) -> IMP::FloatRange"""
6782 return _IMP_core.HarmonicWell_get_well(self)
6785 r"""get_k(HarmonicWell self) -> double"""
6786 return _IMP_core.HarmonicWell_get_k(self)
6788 def get_version_info(self):
6789 r"""get_version_info(HarmonicWell self) -> VersionInfo"""
6790 return _IMP_core.HarmonicWell_get_version_info(self)
6791 __swig_destroy__ = _IMP_core.delete_HarmonicWell
6794 r"""__str__(HarmonicWell self) -> std::string"""
6795 return _IMP_core.HarmonicWell___str__(self)
6798 r"""__repr__(HarmonicWell self) -> std::string"""
6799 return _IMP_core.HarmonicWell___repr__(self)
6803 return _object_cast_to_HarmonicWell(o)
6807 import jax.numpy
as jnp
6808 def score(val, lb, ub, k):
6809 return 0.5 * k * (val - jnp.clip(val, lb, ub)) ** 2
6810 well = self.get_well()
6811 return functools.partial(score, lb=well[0], ub=well[1], k=self.get_k())
6815 _IMP_core.HarmonicWell_swigregister(HarmonicWell)
6816 class HarmonicLowerBound(Harmonic):
6817 r"""Proxy of C++ IMP::core::HarmonicLowerBound class."""
6819 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6821 def __init__(self, *args):
6823 __init__(HarmonicLowerBound self, IMP::Float mean, IMP::Float k) -> HarmonicLowerBound
6824 __init__(HarmonicLowerBound self) -> HarmonicLowerBound
6826 _IMP_core.HarmonicLowerBound_swiginit(self, _IMP_core.new_HarmonicLowerBound(*args))
6827 __swig_destroy__ = _IMP_core.delete_HarmonicLowerBound
6830 r"""__str__(HarmonicLowerBound self) -> std::string"""
6831 return _IMP_core.HarmonicLowerBound___str__(self)
6834 r"""__repr__(HarmonicLowerBound self) -> std::string"""
6835 return _IMP_core.HarmonicLowerBound___repr__(self)
6839 return _object_cast_to_HarmonicLowerBound(o)
6842 def _get_as_binary(self):
6843 r"""_get_as_binary(HarmonicLowerBound self) -> PyObject *"""
6844 return _IMP_core.HarmonicLowerBound__get_as_binary(self)
6846 def _set_from_binary(self, p):
6847 r"""_set_from_binary(HarmonicLowerBound self, PyObject * p)"""
6848 return _IMP_core.HarmonicLowerBound__set_from_binary(self, p)
6850 def __getstate__(self):
6851 p = self._get_as_binary()
6852 if len(self.__dict__) > 1:
6853 d = self.__dict__.copy()
6858 def __setstate__(self, p):
6859 if not hasattr(self,
'this'):
6861 if isinstance(p, tuple):
6863 self.__dict__.update(d)
6864 return self._set_from_binary(p)
6869 def score(val, mean, k):
6870 return 0.5 * k * jax.lax.max(mean - val, 0.0) ** 2
6871 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6875 _IMP_core.HarmonicLowerBound_swigregister(HarmonicLowerBound)
6876 class HarmonicUpperBound(Harmonic):
6877 r"""Proxy of C++ IMP::core::HarmonicUpperBound class."""
6879 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6881 def __init__(self, *args):
6883 __init__(HarmonicUpperBound self, IMP::Float mean, IMP::Float k) -> HarmonicUpperBound
6884 __init__(HarmonicUpperBound self) -> HarmonicUpperBound
6886 _IMP_core.HarmonicUpperBound_swiginit(self, _IMP_core.new_HarmonicUpperBound(*args))
6887 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBound
6890 r"""__str__(HarmonicUpperBound self) -> std::string"""
6891 return _IMP_core.HarmonicUpperBound___str__(self)
6894 r"""__repr__(HarmonicUpperBound self) -> std::string"""
6895 return _IMP_core.HarmonicUpperBound___repr__(self)
6899 return _object_cast_to_HarmonicUpperBound(o)
6902 def _get_as_binary(self):
6903 r"""_get_as_binary(HarmonicUpperBound self) -> PyObject *"""
6904 return _IMP_core.HarmonicUpperBound__get_as_binary(self)
6906 def _set_from_binary(self, p):
6907 r"""_set_from_binary(HarmonicUpperBound self, PyObject * p)"""
6908 return _IMP_core.HarmonicUpperBound__set_from_binary(self, p)
6910 def __getstate__(self):
6911 p = self._get_as_binary()
6912 if len(self.__dict__) > 1:
6913 d = self.__dict__.copy()
6918 def __setstate__(self, p):
6919 if not hasattr(self,
'this'):
6921 if isinstance(p, tuple):
6923 self.__dict__.update(d)
6924 return self._set_from_binary(p)
6929 def score(val, mean, k):
6930 return 0.5 * k * jax.lax.min(mean - val, 0.0) ** 2
6931 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6935 _IMP_core.HarmonicUpperBound_swigregister(HarmonicUpperBound)
6937 r"""Proxy of C++ IMP::core::WeightedSum class."""
6939 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6941 def __init__(self, funcs, weights):
6942 r"""__init__(WeightedSum self, IMP::UnaryFunctions funcs, IMP::Floats weights) -> WeightedSum"""
6943 _IMP_core.WeightedSum_swiginit(self, _IMP_core.new_WeightedSum(funcs, weights))
6945 def get_function_number(self):
6946 r"""get_function_number(WeightedSum self) -> unsigned int"""
6947 return _IMP_core.WeightedSum_get_function_number(self)
6949 def set_weights(self, weights):
6950 r"""set_weights(WeightedSum self, IMP::Floats weights)"""
6951 return _IMP_core.WeightedSum_set_weights(self, weights)
6953 def get_weights(self):
6954 r"""get_weights(WeightedSum self) -> IMP::Floats"""
6955 return _IMP_core.WeightedSum_get_weights(self)
6957 def get_weight(self, i):
6958 r"""get_weight(WeightedSum self, unsigned int i) -> double"""
6959 return _IMP_core.WeightedSum_get_weight(self, i)
6961 def get_function(self, i):
6962 r"""get_function(WeightedSum self, unsigned int i) -> UnaryFunction"""
6963 return _IMP_core.WeightedSum_get_function(self, i)
6965 def get_version_info(self):
6966 r"""get_version_info(WeightedSum self) -> VersionInfo"""
6967 return _IMP_core.WeightedSum_get_version_info(self)
6968 __swig_destroy__ = _IMP_core.delete_WeightedSum
6971 r"""__str__(WeightedSum self) -> std::string"""
6972 return _IMP_core.WeightedSum___str__(self)
6975 r"""__repr__(WeightedSum self) -> std::string"""
6976 return _IMP_core.WeightedSum___repr__(self)
6980 return _object_cast_to_WeightedSum(o)
6984 import jax.numpy
as jnp
6985 def score(val, funcs, weights):
6986 return sum(f(val) * weight
for (f, weight)
in zip(funcs, weights))
6987 nfunc = self.get_function_number()
6988 funcs = [self.get_function(i).get_derived_object()._get_jax()
6989 for i
in range(nfunc)]
6990 return functools.partial(score, funcs=funcs,
6991 weights=self.get_weights())
6995 _IMP_core.WeightedSum_swigregister(WeightedSum)
6997 r"""Proxy of C++ IMP::core::WeightedSumOfExponential class."""
6999 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7001 def __init__(self, funcs, weights, denom=1.0):
7002 r"""__init__(WeightedSumOfExponential self, IMP::UnaryFunctions funcs, IMP::Floats weights, IMP::Float denom=1.0) -> WeightedSumOfExponential"""
7003 _IMP_core.WeightedSumOfExponential_swiginit(self, _IMP_core.new_WeightedSumOfExponential(funcs, weights, denom))
7005 def get_function_number(self):
7006 r"""get_function_number(WeightedSumOfExponential self) -> unsigned int"""
7007 return _IMP_core.WeightedSumOfExponential_get_function_number(self)
7009 def set_weights(self, weights):
7010 r"""set_weights(WeightedSumOfExponential self, IMP::Floats weights)"""
7011 return _IMP_core.WeightedSumOfExponential_set_weights(self, weights)
7013 def get_weights(self):
7014 r"""get_weights(WeightedSumOfExponential self) -> IMP::Floats"""
7015 return _IMP_core.WeightedSumOfExponential_get_weights(self)
7017 def get_weight(self, i):
7018 r"""get_weight(WeightedSumOfExponential self, unsigned int i) -> double"""
7019 return _IMP_core.WeightedSumOfExponential_get_weight(self, i)
7021 def get_function(self, i):
7022 r"""get_function(WeightedSumOfExponential self, unsigned int i) -> UnaryFunction"""
7023 return _IMP_core.WeightedSumOfExponential_get_function(self, i)
7025 def set_denominator(self, denom):
7026 r"""set_denominator(WeightedSumOfExponential self, double denom)"""
7027 return _IMP_core.WeightedSumOfExponential_set_denominator(self, denom)
7029 def get_denominator(self):
7030 r"""get_denominator(WeightedSumOfExponential self) -> double"""
7031 return _IMP_core.WeightedSumOfExponential_get_denominator(self)
7033 def get_version_info(self):
7034 r"""get_version_info(WeightedSumOfExponential self) -> VersionInfo"""
7035 return _IMP_core.WeightedSumOfExponential_get_version_info(self)
7036 __swig_destroy__ = _IMP_core.delete_WeightedSumOfExponential
7039 r"""__str__(WeightedSumOfExponential self) -> std::string"""
7040 return _IMP_core.WeightedSumOfExponential___str__(self)
7043 r"""__repr__(WeightedSumOfExponential self) -> std::string"""
7044 return _IMP_core.WeightedSumOfExponential___repr__(self)
7048 return _object_cast_to_WeightedSumOfExponential(o)
7052 import jax.numpy
as jnp
7053 def score(val, funcs, weights, denom):
7054 exp_sum = sum(weight * jnp.exp(-f(val) / denom)
7055 for (f, weight)
in zip(funcs, weights))
7056 return -jnp.log(exp_sum) * denom
7057 nfunc = self.get_function_number()
7058 funcs = [self.get_function(i).get_derived_object()._get_jax()
7059 for i
in range(nfunc)]
7060 return functools.partial(score, funcs=funcs,
7061 weights=self.get_weights(),
7062 denom=self.get_denominator())
7066 _IMP_core.WeightedSumOfExponential_swigregister(WeightedSumOfExponential)
7068 r"""Proxy of C++ IMP::core::MSConnectivityRestraint class."""
7070 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7072 def __init__(self, m, ps, eps=0.1):
7073 r"""__init__(MSConnectivityRestraint self, Model m, PairScore ps, double eps=0.1) -> MSConnectivityRestraint"""
7074 _IMP_core.MSConnectivityRestraint_swiginit(self, _IMP_core.new_MSConnectivityRestraint(m, ps, eps))
7076 def add_type(self, ps):
7077 r"""add_type(MSConnectivityRestraint self, IMP::ParticlesTemp const & ps) -> unsigned int"""
7078 return _IMP_core.MSConnectivityRestraint_add_type(self, ps)
7080 def add_composite(self, *args):
7082 add_composite(MSConnectivityRestraint self, IMP::Ints const & components) -> unsigned int
7083 add_composite(MSConnectivityRestraint self, IMP::Ints const & components, unsigned int parent) -> unsigned int
7085 return _IMP_core.MSConnectivityRestraint_add_composite(self, *args)
7087 def get_connected_pairs(self):
7088 r"""get_connected_pairs(MSConnectivityRestraint self) -> IMP::ParticlePairsTemp"""
7089 return _IMP_core.MSConnectivityRestraint_get_connected_pairs(self)
7091 def get_pair_score(self):
7092 r"""get_pair_score(MSConnectivityRestraint self) -> PairScore"""
7093 return _IMP_core.MSConnectivityRestraint_get_pair_score(self)
7095 def do_create_current_decomposition(self):
7096 r"""do_create_current_decomposition(MSConnectivityRestraint self) -> IMP::Restraints"""
7097 return _IMP_core.MSConnectivityRestraint_do_create_current_decomposition(self)
7099 def do_get_inputs(self):
7100 r"""do_get_inputs(MSConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
7101 return _IMP_core.MSConnectivityRestraint_do_get_inputs(self)
7103 def get_version_info(self):
7104 r"""get_version_info(MSConnectivityRestraint self) -> VersionInfo"""
7105 return _IMP_core.MSConnectivityRestraint_get_version_info(self)
7106 __swig_destroy__ = _IMP_core.delete_MSConnectivityRestraint
7109 r"""__str__(MSConnectivityRestraint self) -> std::string"""
7110 return _IMP_core.MSConnectivityRestraint___str__(self)
7113 r"""__repr__(MSConnectivityRestraint self) -> std::string"""
7114 return _IMP_core.MSConnectivityRestraint___repr__(self)
7118 return _object_cast_to_MSConnectivityRestraint(o)
7122 _IMP_core.MSConnectivityRestraint_swigregister(MSConnectivityRestraint)
7123 class HierarchyTraits(object):
7124 r"""Proxy of C++ IMP::core::HierarchyTraits class."""
7126 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7128 def __init__(self, *args):
7130 __init__(HierarchyTraits self) -> HierarchyTraits
7131 __init__(HierarchyTraits self, std::string name) -> HierarchyTraits
7133 _IMP_core.HierarchyTraits_swiginit(self, _IMP_core.new_HierarchyTraits(*args))
7135 def get_children_key(self):
7136 r"""get_children_key(HierarchyTraits self) -> ParticleIndexesKey"""
7137 return _IMP_core.HierarchyTraits_get_children_key(self)
7139 def get_parent_key(self):
7140 r"""get_parent_key(HierarchyTraits self) -> ParticleIndexKey"""
7141 return _IMP_core.HierarchyTraits_get_parent_key(self)
7143 def __eq__(self, o):
7144 r"""__eq__(HierarchyTraits self, HierarchyTraits o) -> bool"""
7145 return _IMP_core.HierarchyTraits___eq__(self, o)
7147 def show(self, *args):
7148 r"""show(HierarchyTraits self, _ostream out=std::cout)"""
7149 return _IMP_core.HierarchyTraits_show(self, *args)
7152 r"""__str__(HierarchyTraits self) -> std::string"""
7153 return _IMP_core.HierarchyTraits___str__(self)
7156 r"""__repr__(HierarchyTraits self) -> std::string"""
7157 return _IMP_core.HierarchyTraits___repr__(self)
7158 __swig_destroy__ = _IMP_core.delete_HierarchyTraits
7161 _IMP_core.HierarchyTraits_swigregister(HierarchyTraits)
7163 r"""Proxy of C++ IMP::core::Hierarchy class."""
7165 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7167 def get_decorator_traits(self):
7168 r"""get_decorator_traits(Hierarchy self) -> HierarchyTraits"""
7169 return _IMP_core.Hierarchy_get_decorator_traits(self)
7172 def get_default_decorator_traits():
7173 r"""get_default_decorator_traits() -> HierarchyTraits"""
7174 return _IMP_core.Hierarchy_get_default_decorator_traits()
7176 def __init__(self, *args):
7178 __init__(Hierarchy self) -> Hierarchy
7179 __init__(Hierarchy self, Model m, ParticleIndex id, HierarchyTraits tr=get_default_traits()) -> Hierarchy
7180 __init__(Hierarchy self, _ParticleAdaptor d, HierarchyTraits tr=get_default_traits()) -> Hierarchy
7182 _IMP_core.Hierarchy_swiginit(self, _IMP_core.new_Hierarchy(*args))
7184 def show(self, *args):
7185 r"""show(Hierarchy self, _ostream out=std::cout)"""
7186 return _IMP_core.Hierarchy_show(self, *args)
7189 def setup_particle(*args):
7191 setup_particle(Model m, ParticleIndex pi, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7192 setup_particle(_ParticleAdaptor d, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7193 setup_particle(Model m, ParticleIndex pi, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7194 setup_particle(_ParticleAdaptor d, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7195 setup_particle(Model m, ParticleIndex pi, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7196 setup_particle(_ParticleAdaptor d, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7198 return _IMP_core.Hierarchy_setup_particle(*args)
7201 def get_is_setup(*args):
7203 get_is_setup(_ParticleAdaptor p, HierarchyTraits tr=get_default_traits()) -> bool
7204 get_is_setup(Model arg1, ParticleIndex arg2, HierarchyTraits arg3=Hierarchy::get_default_traits()) -> bool
7206 return _IMP_core.Hierarchy_get_is_setup(*args)
7209 def get_changed_key():
7210 r"""get_changed_key() -> TriggerKey"""
7211 return _IMP_core.Hierarchy_get_changed_key()
7213 def get_parent(self):
7214 r"""get_parent(Hierarchy self) -> Hierarchy"""
7215 return _IMP_core.Hierarchy_get_parent(self)
7217 def get_number_of_children(self):
7218 r"""get_number_of_children(Hierarchy self) -> unsigned int"""
7219 return _IMP_core.Hierarchy_get_number_of_children(self)
7221 def get_child(self, i):
7222 r"""get_child(Hierarchy self, unsigned int i) -> Hierarchy"""
7223 return _IMP_core.Hierarchy_get_child(self, i)
7225 def get_children_indexes(self):
7226 r"""get_children_indexes(Hierarchy self) -> IMP::ParticleIndexes"""
7227 return _IMP_core.Hierarchy_get_children_indexes(self)
7229 def get_children(self):
7230 r"""get_children(Hierarchy self) -> IMP::core::GenericHierarchies"""
7231 return _IMP_core.Hierarchy_get_children(self)
7233 def remove_child(self, *args):
7235 remove_child(Hierarchy self, unsigned int i)
7236 remove_child(Hierarchy self, Hierarchy h)
7238 return _IMP_core.Hierarchy_remove_child(self, *args)
7240 def clear_children(self):
7241 r"""clear_children(Hierarchy self)"""
7242 return _IMP_core.Hierarchy_clear_children(self)
7244 def add_child(self, h):
7245 r"""add_child(Hierarchy self, Hierarchy h)"""
7246 return _IMP_core.Hierarchy_add_child(self, h)
7248 def add_child_at(self, h, pos):
7249 r"""add_child_at(Hierarchy self, Hierarchy h, unsigned int pos)"""
7250 return _IMP_core.Hierarchy_add_child_at(self, h, pos)
7252 def get_child_index(self, *args):
7254 get_child_index(Hierarchy self, unsigned int i) -> ParticleIndex
7255 get_child_index(Hierarchy self) -> int
7257 return _IMP_core.Hierarchy_get_child_index(self, *args)
7260 def get_default_traits():
7261 r"""get_default_traits() -> HierarchyTraits"""
7262 return _IMP_core.Hierarchy_get_default_traits()
7264 def get_traits(self):
7265 r"""get_traits(Hierarchy self) -> HierarchyTraits"""
7266 return _IMP_core.Hierarchy_get_traits(self)
7268 def add_attribute(self, *args):
7270 add_attribute(Hierarchy self, FloatKey k, IMP::Float v, bool opt)
7271 add_attribute(Hierarchy self, FloatKey a0, IMP::Float a1)
7272 add_attribute(Hierarchy self, IntKey a0, IMP::Int a1)
7273 add_attribute(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7274 add_attribute(Hierarchy self, IntsKey a0, IMP::Ints a1)
7275 add_attribute(Hierarchy self, StringKey a0, IMP::String a1)
7276 add_attribute(Hierarchy self, ParticleIndexKey a0, Particle a1)
7277 add_attribute(Hierarchy self, ObjectKey a0, Object a1)
7278 add_attribute(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7279 add_attribute(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7280 add_attribute(Hierarchy self, SparseStringKey a0, IMP::String a1)
7281 add_attribute(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7283 return _IMP_core.Hierarchy_add_attribute(self, *args)
7285 def get_value(self, *args):
7287 get_value(Hierarchy self, FloatKey a0) -> IMP::Float
7288 get_value(Hierarchy self, IntKey a0) -> IMP::Int
7289 get_value(Hierarchy self, FloatsKey a0) -> IMP::Floats
7290 get_value(Hierarchy self, IntsKey a0) -> IMP::Ints
7291 get_value(Hierarchy self, StringKey a0) -> IMP::String
7292 get_value(Hierarchy self, ParticleIndexKey a0) -> Particle
7293 get_value(Hierarchy self, ObjectKey a0) -> Object
7294 get_value(Hierarchy self, SparseFloatKey a0) -> IMP::Float
7295 get_value(Hierarchy self, SparseIntKey a0) -> IMP::Int
7296 get_value(Hierarchy self, SparseStringKey a0) -> IMP::String
7297 get_value(Hierarchy self, SparseParticleIndexKey a0) -> ParticleIndex
7299 return _IMP_core.Hierarchy_get_value(self, *args)
7301 def set_value(self, *args):
7303 set_value(Hierarchy self, FloatKey a0, IMP::Float a1)
7304 set_value(Hierarchy self, IntKey a0, IMP::Int a1)
7305 set_value(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7306 set_value(Hierarchy self, IntsKey a0, IMP::Ints a1)
7307 set_value(Hierarchy self, StringKey a0, IMP::String a1)
7308 set_value(Hierarchy self, ParticleIndexKey a0, Particle a1)
7309 set_value(Hierarchy self, ObjectKey a0, Object a1)
7310 set_value(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7311 set_value(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7312 set_value(Hierarchy self, SparseStringKey a0, IMP::String a1)
7313 set_value(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7315 return _IMP_core.Hierarchy_set_value(self, *args)
7317 def remove_attribute(self, *args):
7319 remove_attribute(Hierarchy self, FloatKey a0)
7320 remove_attribute(Hierarchy self, IntKey a0)
7321 remove_attribute(Hierarchy self, FloatsKey a0)
7322 remove_attribute(Hierarchy self, IntsKey a0)
7323 remove_attribute(Hierarchy self, StringKey a0)
7324 remove_attribute(Hierarchy self, ParticleIndexKey a0)
7325 remove_attribute(Hierarchy self, ObjectKey a0)
7326 remove_attribute(Hierarchy self, SparseFloatKey a0)
7327 remove_attribute(Hierarchy self, SparseIntKey a0)
7328 remove_attribute(Hierarchy self, SparseStringKey a0)
7329 remove_attribute(Hierarchy self, SparseParticleIndexKey a0)
7331 return _IMP_core.Hierarchy_remove_attribute(self, *args)
7333 def has_attribute(self, *args):
7335 has_attribute(Hierarchy self, FloatKey a0) -> bool
7336 has_attribute(Hierarchy self, IntKey a0) -> bool
7337 has_attribute(Hierarchy self, FloatsKey a0) -> bool
7338 has_attribute(Hierarchy self, IntsKey a0) -> bool
7339 has_attribute(Hierarchy self, StringKey a0) -> bool
7340 has_attribute(Hierarchy self, ParticleIndexKey a0) -> bool
7341 has_attribute(Hierarchy self, ObjectKey a0) -> bool
7342 has_attribute(Hierarchy self, SparseFloatKey a0) -> bool
7343 has_attribute(Hierarchy self, SparseIntKey a0) -> bool
7344 has_attribute(Hierarchy self, SparseStringKey a0) -> bool
7345 has_attribute(Hierarchy self, SparseParticleIndexKey a0) -> bool
7347 return _IMP_core.Hierarchy_has_attribute(self, *args)
7349 def get_derivative(self, a0):
7350 r"""get_derivative(Hierarchy self, FloatKey a0) -> double"""
7351 return _IMP_core.Hierarchy_get_derivative(self, a0)
7354 r"""get_name(Hierarchy self) -> std::string"""
7355 return _IMP_core.Hierarchy_get_name(self)
7357 def clear_caches(self):
7358 r"""clear_caches(Hierarchy self)"""
7359 return _IMP_core.Hierarchy_clear_caches(self)
7361 def set_name(self, a0):
7362 r"""set_name(Hierarchy self, std::string a0)"""
7363 return _IMP_core.Hierarchy_set_name(self, a0)
7366 r"""set_check_level(Hierarchy self, IMP::CheckLevel a0)"""
7367 return _IMP_core.Hierarchy_set_check_level(self, a0)
7369 def add_to_derivative(self, a0, a1, a2):
7370 r"""add_to_derivative(Hierarchy self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7371 return _IMP_core.Hierarchy_add_to_derivative(self, a0, a1, a2)
7373 def set_is_optimized(self, a0, a1):
7374 r"""set_is_optimized(Hierarchy self, FloatKey a0, bool a1)"""
7375 return _IMP_core.Hierarchy_set_is_optimized(self, a0, a1)
7377 def get_is_optimized(self, a0):
7378 r"""get_is_optimized(Hierarchy self, FloatKey a0) -> bool"""
7379 return _IMP_core.Hierarchy_get_is_optimized(self, a0)
7382 r"""get_check_level(Hierarchy self) -> IMP::CheckLevel"""
7383 return _IMP_core.Hierarchy_get_check_level(self)
7385 def __eq__(self, *args):
7387 __eq__(Hierarchy self, Hierarchy o) -> bool
7388 __eq__(Hierarchy self, Particle d) -> bool
7390 return _IMP_core.Hierarchy___eq__(self, *args)
7392 def __ne__(self, *args):
7394 __ne__(Hierarchy self, Hierarchy o) -> bool
7395 __ne__(Hierarchy self, Particle d) -> bool
7397 return _IMP_core.Hierarchy___ne__(self, *args)
7399 def __le__(self, *args):
7401 __le__(Hierarchy self, Hierarchy o) -> bool
7402 __le__(Hierarchy self, Particle d) -> bool
7404 return _IMP_core.Hierarchy___le__(self, *args)
7406 def __lt__(self, *args):
7408 __lt__(Hierarchy self, Hierarchy o) -> bool
7409 __lt__(Hierarchy self, Particle d) -> bool
7411 return _IMP_core.Hierarchy___lt__(self, *args)
7413 def __ge__(self, *args):
7415 __ge__(Hierarchy self, Hierarchy o) -> bool
7416 __ge__(Hierarchy self, Particle d) -> bool
7418 return _IMP_core.Hierarchy___ge__(self, *args)
7420 def __gt__(self, *args):
7422 __gt__(Hierarchy self, Hierarchy o) -> bool
7423 __gt__(Hierarchy self, Particle d) -> bool
7425 return _IMP_core.Hierarchy___gt__(self, *args)
7428 r"""__hash__(Hierarchy self) -> std::size_t"""
7429 return _IMP_core.Hierarchy___hash__(self)
7432 r"""__str__(Hierarchy self) -> std::string"""
7433 return _IMP_core.Hierarchy___str__(self)
7436 r"""__repr__(Hierarchy self) -> std::string"""
7437 return _IMP_core.Hierarchy___repr__(self)
7438 __swig_destroy__ = _IMP_core.delete_Hierarchy
7441 _IMP_core.Hierarchy_swigregister(Hierarchy)
7442 class HierarchyVisitor(object):
7443 r"""Proxy of C++ IMP::core::HierarchyVisitor class."""
7445 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7446 __repr__ = _swig_repr
7449 r"""__init__(HierarchyVisitor self) -> HierarchyVisitor"""
7450 if self.__class__ == HierarchyVisitor:
7454 _IMP_core.HierarchyVisitor_swiginit(self, _IMP_core.new_HierarchyVisitor(_self, ))
7456 if self.__class__ != HierarchyVisitor:
7457 _director_objects.register(self)
7462 def __call__(self, p):
7463 r"""__call__(HierarchyVisitor self, Hierarchy p) -> bool"""
7464 return _IMP_core.HierarchyVisitor___call__(self, p)
7465 __swig_destroy__ = _IMP_core.delete_HierarchyVisitor
7466 def __disown__(self):
7468 _IMP_core.disown_HierarchyVisitor(self)
7469 return weakref.proxy(self)
7472 _IMP_core.HierarchyVisitor_swigregister(HierarchyVisitor)
7473 class ModifierVisitor(HierarchyVisitor):
7474 r"""Proxy of C++ IMP::core::ModifierVisitor class."""
7476 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7477 __repr__ = _swig_repr
7479 def __init__(self, sm):
7480 r"""__init__(ModifierVisitor self, SingletonModifier sm) -> ModifierVisitor"""
7481 _IMP_core.ModifierVisitor_swiginit(self, _IMP_core.new_ModifierVisitor(sm))
7482 __swig_destroy__ = _IMP_core.delete_ModifierVisitor
7485 _IMP_core.ModifierVisitor_swigregister(ModifierVisitor)
7486 class HierarchyCounter(HierarchyVisitor):
7487 r"""Proxy of C++ IMP::core::HierarchyCounter class."""
7489 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7492 r"""__init__(HierarchyCounter self) -> HierarchyCounter"""
7493 _IMP_core.HierarchyCounter_swiginit(self, _IMP_core.new_HierarchyCounter())
7495 def get_count(self):
7496 r"""get_count(HierarchyCounter self) -> unsigned int"""
7497 return _IMP_core.HierarchyCounter_get_count(self)
7499 def show(self, *args):
7500 r"""show(HierarchyCounter self, _ostream out=std::cout)"""
7501 return _IMP_core.HierarchyCounter_show(self, *args)
7504 r"""__str__(HierarchyCounter self) -> std::string"""
7505 return _IMP_core.HierarchyCounter___str__(self)
7508 r"""__repr__(HierarchyCounter self) -> std::string"""
7509 return _IMP_core.HierarchyCounter___repr__(self)
7511 def _get_as_binary(self):
7512 r"""_get_as_binary(HierarchyCounter self) -> PyObject *"""
7513 return _IMP_core.HierarchyCounter__get_as_binary(self)
7515 def _set_from_binary(self, p):
7516 r"""_set_from_binary(HierarchyCounter self, PyObject * p)"""
7517 return _IMP_core.HierarchyCounter__set_from_binary(self, p)
7519 def __getstate__(self):
7520 p = self._get_as_binary()
7521 if len(self.__dict__) > 1:
7522 d = self.__dict__.copy()
7527 def __setstate__(self, p):
7528 if not hasattr(self,
'this'):
7530 if isinstance(p, tuple):
7532 self.__dict__.update(d)
7533 return self._set_from_binary(p)
7535 __swig_destroy__ = _IMP_core.delete_HierarchyCounter
7538 _IMP_core.HierarchyCounter_swigregister(HierarchyCounter)
7541 r"""get_leaves(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7542 return _IMP_core.get_leaves(mhd)
7545 r"""get_internal(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7546 return _IMP_core.get_internal(mhd)
7549 r"""get_all_descendants(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7550 return _IMP_core.get_all_descendants(mhd)
7553 r"""get_root(Hierarchy h) -> Hierarchy"""
7554 return _IMP_core.get_root(h)
7557 r"""visit_breadth_first(Hierarchy d, HierarchyVisitor f)"""
7558 return _IMP_core.visit_breadth_first(d, f)
7561 r"""visit_depth_first(Hierarchy d, HierarchyVisitor f)"""
7562 return _IMP_core.visit_depth_first(d, f)
7564 r"""Proxy of C++ IMP::core::LeavesRefiner class."""
7566 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7568 def __init__(self, tr):
7569 r"""__init__(LeavesRefiner self, HierarchyTraits tr) -> LeavesRefiner"""
7570 _IMP_core.LeavesRefiner_swiginit(self, _IMP_core.new_LeavesRefiner(tr))
7572 def do_get_inputs(self, m, pis):
7573 r"""do_get_inputs(LeavesRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7574 return _IMP_core.LeavesRefiner_do_get_inputs(self, m, pis)
7576 def get_version_info(self):
7577 r"""get_version_info(LeavesRefiner self) -> VersionInfo"""
7578 return _IMP_core.LeavesRefiner_get_version_info(self)
7579 __swig_destroy__ = _IMP_core.delete_LeavesRefiner
7582 r"""__str__(LeavesRefiner self) -> std::string"""
7583 return _IMP_core.LeavesRefiner___str__(self)
7586 r"""__repr__(LeavesRefiner self) -> std::string"""
7587 return _IMP_core.LeavesRefiner___repr__(self)
7591 return _object_cast_to_LeavesRefiner(o)
7595 _IMP_core.LeavesRefiner_swigregister(LeavesRefiner)
7597 r"""Proxy of C++ IMP::core::Linear class."""
7599 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7601 def __init__(self, *args):
7603 __init__(Linear self, double offset, double slope) -> Linear
7604 __init__(Linear self) -> Linear
7606 _IMP_core.Linear_swiginit(self, _IMP_core.new_Linear(*args))
7608 def set_slope(self, f):
7609 r"""set_slope(Linear self, double f)"""
7610 return _IMP_core.Linear_set_slope(self, f)
7612 def get_slope(self):
7613 r"""get_slope(Linear self) -> double"""
7614 return _IMP_core.Linear_get_slope(self)
7616 def set_offset(self, f):
7617 r"""set_offset(Linear self, double f)"""
7618 return _IMP_core.Linear_set_offset(self, f)
7620 def get_offset(self):
7621 r"""get_offset(Linear self) -> double"""
7622 return _IMP_core.Linear_get_offset(self)
7624 def get_version_info(self):
7625 r"""get_version_info(Linear self) -> VersionInfo"""
7626 return _IMP_core.Linear_get_version_info(self)
7627 __swig_destroy__ = _IMP_core.delete_Linear
7630 r"""__str__(Linear self) -> std::string"""
7631 return _IMP_core.Linear___str__(self)
7634 r"""__repr__(Linear self) -> std::string"""
7635 return _IMP_core.Linear___repr__(self)
7639 return _object_cast_to_Linear(o)
7642 def _get_as_binary(self):
7643 r"""_get_as_binary(Linear self) -> PyObject *"""
7644 return _IMP_core.Linear__get_as_binary(self)
7646 def _set_from_binary(self, p):
7647 r"""_set_from_binary(Linear self, PyObject * p)"""
7648 return _IMP_core.Linear__set_from_binary(self, p)
7650 def __getstate__(self):
7651 p = self._get_as_binary()
7652 if len(self.__dict__) > 1:
7653 d = self.__dict__.copy()
7658 def __setstate__(self, p):
7659 if not hasattr(self,
'this'):
7661 if isinstance(p, tuple):
7663 self.__dict__.update(d)
7664 return self._set_from_binary(p)
7668 def score(val, slope, offset):
7669 return (val - offset) * slope
7670 return functools.partial(score, slope=self.get_slope(),
7671 offset=self.get_offset())
7675 _IMP_core.Linear_swigregister(Linear)
7676 class LogNormalMover(MonteCarloMover):
7677 r"""Proxy of C++ IMP::core::LogNormalMover class."""
7679 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7681 def __init__(self, *args):
7683 __init__(LogNormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> LogNormalMover
7684 __init__(LogNormalMover self, Model m, ParticleIndex pi, double stddev) -> LogNormalMover
7685 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> LogNormalMover
7686 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> LogNormalMover
7687 __init__(LogNormalMover self) -> LogNormalMover
7689 _IMP_core.LogNormalMover_swiginit(self, _IMP_core.new_LogNormalMover(*args))
7691 def set_sigma(self, sigma):
7692 r"""set_sigma(LogNormalMover self, IMP::Float sigma)"""
7693 return _IMP_core.LogNormalMover_set_sigma(self, sigma)
7695 def get_sigma(self):
7696 r"""get_sigma(LogNormalMover self) -> IMP::Float"""
7697 return _IMP_core.LogNormalMover_get_sigma(self)
7700 r"""get_indexes(LogNormalMover self) -> IMP::ParticleIndexes"""
7701 return _IMP_core.LogNormalMover_get_indexes(self)
7704 r"""get_keys(LogNormalMover self) -> IMP::FloatKeys"""
7705 return _IMP_core.LogNormalMover_get_keys(self)
7707 def get_version_info(self):
7708 r"""get_version_info(LogNormalMover self) -> VersionInfo"""
7709 return _IMP_core.LogNormalMover_get_version_info(self)
7710 __swig_destroy__ = _IMP_core.delete_LogNormalMover
7713 r"""__str__(LogNormalMover self) -> std::string"""
7714 return _IMP_core.LogNormalMover___str__(self)
7717 r"""__repr__(LogNormalMover self) -> std::string"""
7718 return _IMP_core.LogNormalMover___repr__(self)
7722 return _object_cast_to_LogNormalMover(o)
7725 def _get_as_binary(self):
7726 r"""_get_as_binary(LogNormalMover self) -> PyObject *"""
7727 return _IMP_core.LogNormalMover__get_as_binary(self)
7729 def _set_from_binary(self, p):
7730 r"""_set_from_binary(LogNormalMover self, PyObject * p)"""
7731 return _IMP_core.LogNormalMover__set_from_binary(self, p)
7733 def __getstate__(self):
7734 p = self._get_as_binary()
7735 if len(self.__dict__) > 1:
7736 d = self.__dict__.copy()
7741 def __setstate__(self, p):
7742 if not hasattr(self,
'this'):
7744 if isinstance(p, tuple):
7746 self.__dict__.update(d)
7747 return self._set_from_binary(p)
7750 def _get_jax(self, space):
7752 from IMP.core._jax_util
import _get_offset_propose_func
7753 keys = self.get_keys()
7754 sigma = self.get_sigma()
7756 def offset_func(key, shape):
7757 key, subkey = jax.random.split(key)
7758 return key, jax.random.lognormal(subkey, sigma, shape)
7760 propose_func, keys = _get_offset_propose_func(
7761 self.get_indexes(), keys, offset_func)
7763 return self._wrap_jax(
lambda key: key, propose_func, keys=keys)
7767 _IMP_core.LogNormalMover_swigregister(LogNormalMover)
7768 IMP_CORE_HAS_MONTE_CARLO_MOVER = _IMP_core.IMP_CORE_HAS_MONTE_CARLO_MOVER
7771 r"""Proxy of C++ IMP::core::MonteCarlo class."""
7773 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7775 def __init__(self, *args):
7777 __init__(MonteCarlo self, Model m) -> MonteCarlo
7778 __init__(MonteCarlo self) -> MonteCarlo
7780 _IMP_core.MonteCarlo_swiginit(self, _IMP_core.new_MonteCarlo(*args))
7782 def get_version_info(self):
7783 r"""get_version_info(MonteCarlo self) -> VersionInfo"""
7784 return _IMP_core.MonteCarlo_get_version_info(self)
7785 __swig_destroy__ = _IMP_core.delete_MonteCarlo
7787 def set_return_best(self, tf):
7788 r"""set_return_best(MonteCarlo self, bool tf)"""
7789 return _IMP_core.MonteCarlo_set_return_best(self, tf)
7791 def get_return_best(self):
7792 r"""get_return_best(MonteCarlo self) -> bool"""
7793 return _IMP_core.MonteCarlo_get_return_best(self)
7795 def set_score_moved(self, mv):
7796 r"""set_score_moved(MonteCarlo self, bool mv)"""
7797 return _IMP_core.MonteCarlo_set_score_moved(self, mv)
7799 def set_kt(self, t):
7800 r"""set_kt(MonteCarlo self, IMP::Float t)"""
7801 return _IMP_core.MonteCarlo_set_kt(self, t)
7804 r"""get_kt(MonteCarlo self) -> IMP::Float"""
7805 return _IMP_core.MonteCarlo_get_kt(self)
7807 def get_last_accepted_energy(self):
7808 r"""get_last_accepted_energy(MonteCarlo self) -> double"""
7809 return _IMP_core.MonteCarlo_get_last_accepted_energy(self)
7811 def set_last_accepted_energy(self, energy):
7812 r"""set_last_accepted_energy(MonteCarlo self, double energy)"""
7813 return _IMP_core.MonteCarlo_set_last_accepted_energy(self, energy)
7815 def get_best_accepted_energy(self):
7816 r"""get_best_accepted_energy(MonteCarlo self) -> double"""
7817 return _IMP_core.MonteCarlo_get_best_accepted_energy(self)
7819 def set_best_accepted_energy(self, energy):
7820 r"""set_best_accepted_energy(MonteCarlo self, double energy)"""
7821 return _IMP_core.MonteCarlo_set_best_accepted_energy(self, energy)
7823 def get_number_of_downward_steps(self):
7824 r"""get_number_of_downward_steps(MonteCarlo self) -> unsigned int"""
7825 return _IMP_core.MonteCarlo_get_number_of_downward_steps(self)
7827 def get_number_of_upward_steps(self):
7828 r"""get_number_of_upward_steps(MonteCarlo self) -> unsigned int"""
7829 return _IMP_core.MonteCarlo_get_number_of_upward_steps(self)
7831 def get_number_of_proposed_steps(self):
7832 r"""get_number_of_proposed_steps(MonteCarlo self) -> unsigned int"""
7833 return _IMP_core.MonteCarlo_get_number_of_proposed_steps(self)
7835 def get_number_of_accepted_steps(self):
7836 r"""get_number_of_accepted_steps(MonteCarlo self) -> unsigned int"""
7837 return _IMP_core.MonteCarlo_get_number_of_accepted_steps(self)
7839 def set_number_of_downward_steps(self, nsteps):
7840 r"""set_number_of_downward_steps(MonteCarlo self, unsigned int nsteps)"""
7841 return _IMP_core.MonteCarlo_set_number_of_downward_steps(self, nsteps)
7843 def set_number_of_upward_steps(self, nsteps):
7844 r"""set_number_of_upward_steps(MonteCarlo self, unsigned int nsteps)"""
7845 return _IMP_core.MonteCarlo_set_number_of_upward_steps(self, nsteps)
7847 def set_number_of_rejected_steps(self, nsteps):
7848 r"""set_number_of_rejected_steps(MonteCarlo self, unsigned int nsteps)"""
7849 return _IMP_core.MonteCarlo_set_number_of_rejected_steps(self, nsteps)
7851 def reset_statistics(self):
7852 r"""reset_statistics(MonteCarlo self)"""
7853 return _IMP_core.MonteCarlo_reset_statistics(self)
7855 def set_score_threshold(self, s):
7856 r"""set_score_threshold(MonteCarlo self, double s)"""
7857 return _IMP_core.MonteCarlo_set_score_threshold(self, s)
7859 def get_score_threshold(self):
7860 r"""get_score_threshold(MonteCarlo self) -> double"""
7861 return _IMP_core.MonteCarlo_get_score_threshold(self)
7863 def set_maximum_difference(self, d):
7864 r"""set_maximum_difference(MonteCarlo self, double d)"""
7865 return _IMP_core.MonteCarlo_set_maximum_difference(self, d)
7867 def get_maximum_difference(self):
7868 r"""get_maximum_difference(MonteCarlo self) -> double"""
7869 return _IMP_core.MonteCarlo_get_maximum_difference(self)
7870 def __get_movers(self):
return IMP._list_util.VarList(getdimfunc=self.get_number_of_movers, getfunc=self.get_mover, erasefunc=self.erase_mover, appendfunc=self.add_mover, extendfunc=self.add_movers, clearfunc=self.clear_movers, indexfunc=self._python_index_mover)
7871 def __set_movers(self, obj): IMP._list_util.set_varlist(self.movers, obj)
7872 def __del_movers(self): IMP._list_util.del_varlist(self.movers)
7873 movers = property(__get_movers, __set_movers, __del_movers, doc=
"List of ##ucnames")
7875 def remove_mover(self, d):
7876 r"""remove_mover(MonteCarlo self, MonteCarloMover d)"""
7877 return _IMP_core.MonteCarlo_remove_mover(self, d)
7879 def _python_index_mover(self, d, start, stop):
7880 r"""_python_index_mover(MonteCarlo self, MonteCarloMover d, unsigned int start, unsigned int stop) -> unsigned int"""
7881 return _IMP_core.MonteCarlo__python_index_mover(self, d, start, stop)
7883 def remove_movers(self, d):
7884 r"""remove_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & d)"""
7885 return _IMP_core.MonteCarlo_remove_movers(self, d)
7887 def set_movers(self, ps):
7888 r"""set_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & ps)"""
7889 return _IMP_core.MonteCarlo_set_movers(self, ps)
7891 def set_movers_order(self, objs):
7892 r"""set_movers_order(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7893 return _IMP_core.MonteCarlo_set_movers_order(self, objs)
7895 def add_mover(self, obj):
7896 r"""add_mover(MonteCarlo self, MonteCarloMover obj) -> unsigned int"""
7897 return _IMP_core.MonteCarlo_add_mover(self, obj)
7899 def add_movers(self, objs):
7900 r"""add_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7901 return _IMP_core.MonteCarlo_add_movers(self, objs)
7903 def clear_movers(self):
7904 r"""clear_movers(MonteCarlo self)"""
7905 return _IMP_core.MonteCarlo_clear_movers(self)
7907 def get_number_of_movers(self):
7908 r"""get_number_of_movers(MonteCarlo self) -> unsigned int"""
7909 return _IMP_core.MonteCarlo_get_number_of_movers(self)
7911 def get_has_movers(self):
7912 r"""get_has_movers(MonteCarlo self) -> bool"""
7913 return _IMP_core.MonteCarlo_get_has_movers(self)
7915 def get_mover(self, i):
7916 r"""get_mover(MonteCarlo self, unsigned int i) -> MonteCarloMover"""
7917 return _IMP_core.MonteCarlo_get_mover(self, i)
7919 def get_movers(self):
7920 r"""get_movers(MonteCarlo self) -> IMP::core::MonteCarloMovers"""
7921 return _IMP_core.MonteCarlo_get_movers(self)
7923 def erase_mover(self, i):
7924 r"""erase_mover(MonteCarlo self, unsigned int i)"""
7925 return _IMP_core.MonteCarlo_erase_mover(self, i)
7927 def reserve_movers(self, sz):
7928 r"""reserve_movers(MonteCarlo self, unsigned int sz)"""
7929 return _IMP_core.MonteCarlo_reserve_movers(self, sz)
7932 r"""__str__(MonteCarlo self) -> std::string"""
7933 return _IMP_core.MonteCarlo___str__(self)
7936 r"""__repr__(MonteCarlo self) -> std::string"""
7937 return _IMP_core.MonteCarlo___repr__(self)
7941 return _object_cast_to_MonteCarlo(o)
7944 def _get_as_binary(self):
7945 r"""_get_as_binary(MonteCarlo self) -> PyObject *"""
7946 return _IMP_core.MonteCarlo__get_as_binary(self)
7948 def _set_from_binary(self, p):
7949 r"""_set_from_binary(MonteCarlo self, PyObject * p)"""
7950 return _IMP_core.MonteCarlo__set_from_binary(self, p)
7952 def __getstate__(self):
7953 p = self._get_as_binary()
7954 if len(self.__dict__) > 1:
7955 d = self.__dict__.copy()
7960 def __setstate__(self, p):
7961 if not hasattr(self,
'this'):
7963 if isinstance(p, tuple):
7965 self.__dict__.update(d)
7966 return self._set_from_binary(p)
7969 def _get_jax(self, space=None):
7970 from IMP.core._jax_util
import _MCJAXInfo
7971 return _MCJAXInfo(self, space)
7973 def _get_jax_optimizer(self, max_steps, space=None):
7974 import IMP.core._jax_util
7975 return IMP.core._jax_util._MCJAXOptimizer(self, max_steps, space)
7977 def _optimize_jax(self, max_steps, space=None):
7978 opt = self._get_jax_optimizer(max_steps, space=space)
7979 score, mc_state = opt.optimize(opt.get_initial_state())
7984 _IMP_core.MonteCarlo_swigregister(MonteCarlo)
7985 class MonteCarloWithLocalOptimization(MonteCarlo):
7986 r"""Proxy of C++ IMP::core::MonteCarloWithLocalOptimization class."""
7988 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7990 def __init__(self, opt, steps):
7991 r"""__init__(MonteCarloWithLocalOptimization self, Optimizer opt, unsigned int steps) -> MonteCarloWithLocalOptimization"""
7992 _IMP_core.MonteCarloWithLocalOptimization_swiginit(self, _IMP_core.new_MonteCarloWithLocalOptimization(opt, steps))
7994 def get_number_of_steps(self):
7995 r"""get_number_of_steps(MonteCarloWithLocalOptimization self) -> unsigned int"""
7996 return _IMP_core.MonteCarloWithLocalOptimization_get_number_of_steps(self)
7998 def get_local_optimizer(self):
7999 r"""get_local_optimizer(MonteCarloWithLocalOptimization self) -> Optimizer"""
8000 return _IMP_core.MonteCarloWithLocalOptimization_get_local_optimizer(self)
8001 __swig_destroy__ = _IMP_core.delete_MonteCarloWithLocalOptimization
8004 r"""__str__(MonteCarloWithLocalOptimization self) -> std::string"""
8005 return _IMP_core.MonteCarloWithLocalOptimization___str__(self)
8008 r"""__repr__(MonteCarloWithLocalOptimization self) -> std::string"""
8009 return _IMP_core.MonteCarloWithLocalOptimization___repr__(self)
8013 return _object_cast_to_MonteCarloWithLocalOptimization(o)
8017 _IMP_core.MonteCarloWithLocalOptimization_swigregister(MonteCarloWithLocalOptimization)
8018 class MonteCarloWithBasinHopping(MonteCarloWithLocalOptimization):
8019 r"""Proxy of C++ IMP::core::MonteCarloWithBasinHopping class."""
8021 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8023 def __init__(self, opt, ns):
8024 r"""__init__(MonteCarloWithBasinHopping self, Optimizer opt, unsigned int ns) -> MonteCarloWithBasinHopping"""
8025 _IMP_core.MonteCarloWithBasinHopping_swiginit(self, _IMP_core.new_MonteCarloWithBasinHopping(opt, ns))
8026 __swig_destroy__ = _IMP_core.delete_MonteCarloWithBasinHopping
8029 r"""__str__(MonteCarloWithBasinHopping self) -> std::string"""
8030 return _IMP_core.MonteCarloWithBasinHopping___str__(self)
8033 r"""__repr__(MonteCarloWithBasinHopping self) -> std::string"""
8034 return _IMP_core.MonteCarloWithBasinHopping___repr__(self)
8038 return _object_cast_to_MonteCarloWithBasinHopping(o)
8042 _IMP_core.MonteCarloWithBasinHopping_swigregister(MonteCarloWithBasinHopping)
8044 r"""Proxy of C++ IMP::core::NeighborsTable class."""
8046 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8048 def __init__(self, *args):
8049 r"""__init__(NeighborsTable self, PairContainer input, std::string name="CloseNeighborsTable%1%") -> NeighborsTable"""
8050 _IMP_core.NeighborsTable_swiginit(self, _IMP_core.new_NeighborsTable(*args))
8052 def get_neighbors(self, pi):
8053 r"""get_neighbors(NeighborsTable self, ParticleIndex pi) -> IMP::ParticleIndexes const &"""
8054 return _IMP_core.NeighborsTable_get_neighbors(self, pi)
8056 def get_version_info(self):
8057 r"""get_version_info(NeighborsTable self) -> VersionInfo"""
8058 return _IMP_core.NeighborsTable_get_version_info(self)
8059 __swig_destroy__ = _IMP_core.delete_NeighborsTable
8062 r"""__str__(NeighborsTable self) -> std::string"""
8063 return _IMP_core.NeighborsTable___str__(self)
8066 r"""__repr__(NeighborsTable self) -> std::string"""
8067 return _IMP_core.NeighborsTable___repr__(self)
8071 return _object_cast_to_NeighborsTable(o)
8075 _IMP_core.NeighborsTable_swigregister(NeighborsTable)
8076 class NormalMover(MonteCarloMover):
8077 r"""Proxy of C++ IMP::core::NormalMover class."""
8079 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8081 def __init__(self, *args):
8083 __init__(NormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> NormalMover
8084 __init__(NormalMover self, Model m, ParticleIndex pi, double stddev) -> NormalMover
8085 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> NormalMover
8086 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> NormalMover
8087 __init__(NormalMover self) -> NormalMover
8089 _IMP_core.NormalMover_swiginit(self, _IMP_core.new_NormalMover(*args))
8091 def set_sigma(self, sigma):
8092 r"""set_sigma(NormalMover self, IMP::Float sigma)"""
8093 return _IMP_core.NormalMover_set_sigma(self, sigma)
8095 def get_sigma(self):
8096 r"""get_sigma(NormalMover self) -> IMP::Float"""
8097 return _IMP_core.NormalMover_get_sigma(self)
8100 r"""get_indexes(NormalMover self) -> IMP::ParticleIndexes"""
8101 return _IMP_core.NormalMover_get_indexes(self)
8104 r"""get_keys(NormalMover self) -> IMP::FloatKeys"""
8105 return _IMP_core.NormalMover_get_keys(self)
8107 def get_version_info(self):
8108 r"""get_version_info(NormalMover self) -> VersionInfo"""
8109 return _IMP_core.NormalMover_get_version_info(self)
8110 __swig_destroy__ = _IMP_core.delete_NormalMover
8113 r"""__str__(NormalMover self) -> std::string"""
8114 return _IMP_core.NormalMover___str__(self)
8117 r"""__repr__(NormalMover self) -> std::string"""
8118 return _IMP_core.NormalMover___repr__(self)
8122 return _object_cast_to_NormalMover(o)
8125 def _get_as_binary(self):
8126 r"""_get_as_binary(NormalMover self) -> PyObject *"""
8127 return _IMP_core.NormalMover__get_as_binary(self)
8129 def _set_from_binary(self, p):
8130 r"""_set_from_binary(NormalMover self, PyObject * p)"""
8131 return _IMP_core.NormalMover__set_from_binary(self, p)
8133 def __getstate__(self):
8134 p = self._get_as_binary()
8135 if len(self.__dict__) > 1:
8136 d = self.__dict__.copy()
8141 def __setstate__(self, p):
8142 if not hasattr(self,
'this'):
8144 if isinstance(p, tuple):
8146 self.__dict__.update(d)
8147 return self._set_from_binary(p)
8150 def _get_jax(self, space):
8152 from IMP.core._jax_util
import _get_offset_propose_func
8153 keys = self.get_keys()
8154 sigma = self.get_sigma()
8156 def offset_func(key, shape):
8157 key, subkey = jax.random.split(key)
8158 return key, jax.random.normal(subkey, shape) * sigma
8160 propose_func, keys = _get_offset_propose_func(
8161 self.get_indexes(), keys, offset_func)
8163 return self._wrap_jax(
lambda key: key, propose_func, keys=keys)
8167 _IMP_core.NormalMover_swigregister(NormalMover)
8168 class OpenCubicSpline(_OpenCubicSplineBase):
8169 r"""Proxy of C++ IMP::core::OpenCubicSpline class."""
8171 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8173 def __init__(self, values, minrange, spacing, extend=False):
8174 r"""__init__(OpenCubicSpline self, IMP::Floats const & values, IMP::Float minrange, IMP::Float spacing, bool extend=False) -> OpenCubicSpline"""
8175 _IMP_core.OpenCubicSpline_swiginit(self, _IMP_core.new_OpenCubicSpline(values, minrange, spacing, extend))
8177 def get_minrange(self):
8178 r"""get_minrange(OpenCubicSpline self) -> IMP::Float"""
8179 return _IMP_core.OpenCubicSpline_get_minrange(self)
8181 def get_spacing(self):
8182 r"""get_spacing(OpenCubicSpline self) -> IMP::Float"""
8183 return _IMP_core.OpenCubicSpline_get_spacing(self)
8185 def get_values(self):
8186 r"""get_values(OpenCubicSpline self) -> IMP::Floats"""
8187 return _IMP_core.OpenCubicSpline_get_values(self)
8189 def get_extend(self):
8190 r"""get_extend(OpenCubicSpline self) -> bool"""
8191 return _IMP_core.OpenCubicSpline_get_extend(self)
8193 def get_second_derivatives(self):
8194 r"""get_second_derivatives(OpenCubicSpline self) -> IMP::Floats"""
8195 return _IMP_core.OpenCubicSpline_get_second_derivatives(self)
8198 r"""__str__(OpenCubicSpline self) -> std::string"""
8199 return _IMP_core.OpenCubicSpline___str__(self)
8202 r"""__repr__(OpenCubicSpline self) -> std::string"""
8203 return _IMP_core.OpenCubicSpline___repr__(self)
8207 return _object_cast_to_OpenCubicSpline(o)
8211 import jax.numpy
as jnp
8212 from IMP.core._jax_util
import _spline
8213 def score(feature, minrange, maxrange, spacing, values, second_derivs):
8215 feature = jnp.clip(feature, minrange, maxrange)
8217 lowbin = jnp.array((feature - minrange) / spacing, dtype=int)
8218 return _spline(feature, minrange, lowbin, lowbin + 1, spacing,
8219 values, second_derivs)
8220 spacing = self.get_spacing()
8221 minrange = self.get_minrange()
8222 values = jnp.asarray(self.get_values())
8223 maxrange = minrange + spacing * (len(values) - 1)
8224 return functools.partial(
8225 score, minrange=minrange, maxrange=maxrange,
8226 spacing=spacing, values=values,
8227 second_derivs=jnp.asarray(self.get_second_derivatives()))
8229 __swig_destroy__ = _IMP_core.delete_OpenCubicSpline
8232 _IMP_core.OpenCubicSpline_swigregister(OpenCubicSpline)
8233 class QuadraticClosePairsFinder(ClosePairsFinder):
8234 r"""Proxy of C++ IMP::core::QuadraticClosePairsFinder class."""
8236 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8239 r"""__init__(QuadraticClosePairsFinder self) -> QuadraticClosePairsFinder"""
8240 _IMP_core.QuadraticClosePairsFinder_swiginit(self, _IMP_core.new_QuadraticClosePairsFinder())
8242 def get_are_close_and_filtered(self, *args):
8244 get_are_close_and_filtered(QuadraticClosePairsFinder self, Particle a, Particle b) -> bool
8245 get_are_close_and_filtered(QuadraticClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b) -> bool
8247 return _IMP_core.QuadraticClosePairsFinder_get_are_close_and_filtered(self, *args)
8249 def get_close_pairs(self, *args):
8251 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
8252 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
8253 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
8254 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
8256 return _IMP_core.QuadraticClosePairsFinder_get_close_pairs(self, *args)
8258 def do_get_inputs(self, m, pis):
8259 r"""do_get_inputs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8260 return _IMP_core.QuadraticClosePairsFinder_do_get_inputs(self, m, pis)
8262 def get_version_info(self):
8263 r"""get_version_info(QuadraticClosePairsFinder self) -> VersionInfo"""
8264 return _IMP_core.QuadraticClosePairsFinder_get_version_info(self)
8265 __swig_destroy__ = _IMP_core.delete_QuadraticClosePairsFinder
8268 r"""__str__(QuadraticClosePairsFinder self) -> std::string"""
8269 return _IMP_core.QuadraticClosePairsFinder___str__(self)
8272 r"""__repr__(QuadraticClosePairsFinder self) -> std::string"""
8273 return _IMP_core.QuadraticClosePairsFinder___repr__(self)
8277 return _object_cast_to_QuadraticClosePairsFinder(o)
8281 _IMP_core.QuadraticClosePairsFinder_swigregister(QuadraticClosePairsFinder)
8283 r"""Proxy of C++ IMP::core::RefinedPairsPairScore class."""
8285 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8287 def __init__(self, r, f):
8288 r"""__init__(RefinedPairsPairScore self, Refiner r, PairScore f) -> RefinedPairsPairScore"""
8289 _IMP_core.RefinedPairsPairScore_swiginit(self, _IMP_core.new_RefinedPairsPairScore(r, f))
8291 def do_get_inputs(self, m, pis):
8292 r"""do_get_inputs(RefinedPairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8293 return _IMP_core.RefinedPairsPairScore_do_get_inputs(self, m, pis)
8295 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
8296 r"""evaluate_indexes(RefinedPairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
8297 return _IMP_core.RefinedPairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
8299 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8300 r"""evaluate_indexes_scores(RefinedPairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
8301 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
8303 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
8304 r"""evaluate_indexes_delta(RefinedPairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
8305 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
8307 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8308 r"""evaluate_if_good_indexes(RefinedPairsPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
8309 return _IMP_core.RefinedPairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
8311 def get_version_info(self):
8312 r"""get_version_info(RefinedPairsPairScore self) -> VersionInfo"""
8313 return _IMP_core.RefinedPairsPairScore_get_version_info(self)
8314 __swig_destroy__ = _IMP_core.delete_RefinedPairsPairScore
8317 r"""__str__(RefinedPairsPairScore self) -> std::string"""
8318 return _IMP_core.RefinedPairsPairScore___str__(self)
8321 r"""__repr__(RefinedPairsPairScore self) -> std::string"""
8322 return _IMP_core.RefinedPairsPairScore___repr__(self)
8326 return _object_cast_to_RefinedPairsPairScore(o)
8330 _IMP_core.RefinedPairsPairScore_swigregister(RefinedPairsPairScore)
8331 class RigidBody(XYZ):
8332 r"""Proxy of C++ IMP::core::RigidBody class."""
8334 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8336 def get_rigid_members(self):
8337 r"""get_rigid_members(RigidBody self) -> IMP::core::RigidMembers"""
8338 return _IMP_core.RigidBody_get_rigid_members(self)
8341 def get_rotation_key():
8342 r"""get_rotation_key() -> Vector4DDerivKey"""
8343 return _IMP_core.RigidBody_get_rotation_key()
8345 def get_member_particle_indexes(self):
8346 r"""get_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
8347 return _IMP_core.RigidBody_get_member_particle_indexes(self)
8349 def get_body_member_particle_indexes(self):
8350 r"""get_body_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
8351 return _IMP_core.RigidBody_get_body_member_particle_indexes(self)
8353 def get_member_indexes(self):
8354 r"""get_member_indexes(RigidBody self) -> IMP::ParticleIndexes"""
8355 return _IMP_core.RigidBody_get_member_indexes(self)
8357 def show(self, *args):
8358 r"""show(RigidBody self, _ostream out=std::cout)"""
8359 return _IMP_core.RigidBody_show(self, *args)
8362 def setup_particle(*args):
8364 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor ps) -> RigidBody
8365 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor ps) -> RigidBody
8366 setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf) -> RigidBody
8367 setup_particle(_ParticleAdaptor pa, ReferenceFrame3D rf) -> RigidBody
8369 return _IMP_core.RigidBody_setup_particle(*args)
8372 def teardown_particle(rb):
8373 r"""teardown_particle(RigidBody rb)"""
8374 return _IMP_core.RigidBody_teardown_particle(rb)
8376 def __init__(self, *args):
8378 __init__(RigidBody self) -> RigidBody
8379 __init__(RigidBody self, Model m, ParticleIndex id) -> RigidBody
8380 __init__(RigidBody self, _ParticleAdaptor d) -> RigidBody
8381 __init__(RigidBody self, RigidBody arg2) -> RigidBody
8383 _IMP_core.RigidBody_swiginit(self, _IMP_core.new_RigidBody(*args))
8384 __swig_destroy__ = _IMP_core.delete_RigidBody
8387 def get_is_setup(*args):
8389 get_is_setup(_ParticleAdaptor p) -> bool
8390 get_is_setup(Model m, ParticleIndex pi) -> bool
8392 return _IMP_core.RigidBody_get_is_setup(*args)
8394 def get_coordinates(self):
8395 r"""get_coordinates(RigidBody self) -> Vector3D"""
8396 return _IMP_core.RigidBody_get_coordinates(self)
8398 def get_rotation(self):
8399 r"""get_rotation(RigidBody self) -> Rotation3D"""
8400 return _IMP_core.RigidBody_get_rotation(self)
8402 def get_reference_frame(self):
8403 r"""get_reference_frame(RigidBody self) -> ReferenceFrame3D"""
8404 return _IMP_core.RigidBody_get_reference_frame(self)
8406 def set_reference_frame(self, tr):
8407 r"""set_reference_frame(RigidBody self, ReferenceFrame3D tr)"""
8408 return _IMP_core.RigidBody_set_reference_frame(self, tr)
8410 def set_reference_frame_lazy(self, tr):
8411 r"""set_reference_frame_lazy(RigidBody self, ReferenceFrame3D tr)"""
8412 return _IMP_core.RigidBody_set_reference_frame_lazy(self, tr)
8414 def set_reference_frame_from_members(self, members):
8415 r"""set_reference_frame_from_members(RigidBody self, IMP::ParticleIndexes const & members)"""
8416 return _IMP_core.RigidBody_set_reference_frame_from_members(self, members)
8418 def pull_back_members_adjoints(self, da):
8419 r"""pull_back_members_adjoints(RigidBody self, DerivativeAccumulator da)"""
8420 return _IMP_core.RigidBody_pull_back_members_adjoints(self, da)
8422 def pull_back_member_adjoints(self, pi, da):
8423 r"""pull_back_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8424 return _IMP_core.RigidBody_pull_back_member_adjoints(self, pi, da)
8426 def pull_back_body_member_adjoints(self, pi, da):
8427 r"""pull_back_body_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8428 return _IMP_core.RigidBody_pull_back_body_member_adjoints(self, pi, da)
8430 def add_to_rotational_derivatives(self, qderiv, da):
8431 r"""add_to_rotational_derivatives(RigidBody self, Vector4D qderiv, DerivativeAccumulator da)"""
8432 return _IMP_core.RigidBody_add_to_rotational_derivatives(self, qderiv, da)
8434 def add_to_torque(self, torque_local, da):
8435 r"""add_to_torque(RigidBody self, Vector3D torque_local, DerivativeAccumulator da)"""
8436 return _IMP_core.RigidBody_add_to_torque(self, torque_local, da)
8438 def get_torque(self):
8439 r"""get_torque(RigidBody self) -> Vector3D"""
8440 return _IMP_core.RigidBody_get_torque(self)
8442 def get_coordinates_are_optimized(self):
8443 r"""get_coordinates_are_optimized(RigidBody self) -> bool"""
8444 return _IMP_core.RigidBody_get_coordinates_are_optimized(self)
8446 def set_coordinates_are_optimized(self, tf):
8447 r"""set_coordinates_are_optimized(RigidBody self, bool tf)"""
8448 return _IMP_core.RigidBody_set_coordinates_are_optimized(self, tf)
8450 def normalize_rotation(self):
8451 r"""normalize_rotation(RigidBody self)"""
8452 return _IMP_core.RigidBody_normalize_rotation(self)
8454 def update_members(self):
8455 r"""update_members(RigidBody self)"""
8456 return _IMP_core.RigidBody_update_members(self)
8458 def get_rotational_derivatives(self):
8459 r"""get_rotational_derivatives(RigidBody self) -> Vector4D"""
8460 return _IMP_core.RigidBody_get_rotational_derivatives(self)
8462 def get_number_of_members(self):
8463 r"""get_number_of_members(RigidBody self) -> unsigned int"""
8464 return _IMP_core.RigidBody_get_number_of_members(self)
8466 def get_member(self, i):
8467 r"""get_member(RigidBody self, unsigned int i) -> RigidBodyMember"""
8468 return _IMP_core.RigidBody_get_member(self, i)
8470 def add_member(self, p):
8471 r"""add_member(RigidBody self, _ParticleIndexAdaptor p)"""
8472 return _IMP_core.RigidBody_add_member(self, p)
8474 def add_non_rigid_member(self, p):
8475 r"""add_non_rigid_member(RigidBody self, _ParticleIndexAdaptor p)"""
8476 return _IMP_core.RigidBody_add_non_rigid_member(self, p)
8478 def set_is_rigid_member(self, pi, tf):
8479 r"""set_is_rigid_member(RigidBody self, ParticleIndex pi, bool tf)"""
8480 return _IMP_core.RigidBody_set_is_rigid_member(self, pi, tf)
8482 def remove_member(self, p):
8483 r"""remove_member(RigidBody self, _ParticleIndexAdaptor p)"""
8484 return _IMP_core.RigidBody_remove_member(self, p)
8486 def add_attribute(self, *args):
8488 add_attribute(RigidBody self, FloatKey k, IMP::Float v, bool opt)
8489 add_attribute(RigidBody self, FloatKey a0, IMP::Float a1)
8490 add_attribute(RigidBody self, IntKey a0, IMP::Int a1)
8491 add_attribute(RigidBody self, FloatsKey a0, IMP::Floats a1)
8492 add_attribute(RigidBody self, IntsKey a0, IMP::Ints a1)
8493 add_attribute(RigidBody self, StringKey a0, IMP::String a1)
8494 add_attribute(RigidBody self, ParticleIndexKey a0, Particle a1)
8495 add_attribute(RigidBody self, ObjectKey a0, Object a1)
8496 add_attribute(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8497 add_attribute(RigidBody self, SparseIntKey a0, IMP::Int a1)
8498 add_attribute(RigidBody self, SparseStringKey a0, IMP::String a1)
8499 add_attribute(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8501 return _IMP_core.RigidBody_add_attribute(self, *args)
8503 def get_value(self, *args):
8505 get_value(RigidBody self, FloatKey a0) -> IMP::Float
8506 get_value(RigidBody self, IntKey a0) -> IMP::Int
8507 get_value(RigidBody self, FloatsKey a0) -> IMP::Floats
8508 get_value(RigidBody self, IntsKey a0) -> IMP::Ints
8509 get_value(RigidBody self, StringKey a0) -> IMP::String
8510 get_value(RigidBody self, ParticleIndexKey a0) -> Particle
8511 get_value(RigidBody self, ObjectKey a0) -> Object
8512 get_value(RigidBody self, SparseFloatKey a0) -> IMP::Float
8513 get_value(RigidBody self, SparseIntKey a0) -> IMP::Int
8514 get_value(RigidBody self, SparseStringKey a0) -> IMP::String
8515 get_value(RigidBody self, SparseParticleIndexKey a0) -> ParticleIndex
8517 return _IMP_core.RigidBody_get_value(self, *args)
8519 def set_value(self, *args):
8521 set_value(RigidBody self, FloatKey a0, IMP::Float a1)
8522 set_value(RigidBody self, IntKey a0, IMP::Int a1)
8523 set_value(RigidBody self, FloatsKey a0, IMP::Floats a1)
8524 set_value(RigidBody self, IntsKey a0, IMP::Ints a1)
8525 set_value(RigidBody self, StringKey a0, IMP::String a1)
8526 set_value(RigidBody self, ParticleIndexKey a0, Particle a1)
8527 set_value(RigidBody self, ObjectKey a0, Object a1)
8528 set_value(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8529 set_value(RigidBody self, SparseIntKey a0, IMP::Int a1)
8530 set_value(RigidBody self, SparseStringKey a0, IMP::String a1)
8531 set_value(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8533 return _IMP_core.RigidBody_set_value(self, *args)
8535 def remove_attribute(self, *args):
8537 remove_attribute(RigidBody self, FloatKey a0)
8538 remove_attribute(RigidBody self, IntKey a0)
8539 remove_attribute(RigidBody self, FloatsKey a0)
8540 remove_attribute(RigidBody self, IntsKey a0)
8541 remove_attribute(RigidBody self, StringKey a0)
8542 remove_attribute(RigidBody self, ParticleIndexKey a0)
8543 remove_attribute(RigidBody self, ObjectKey a0)
8544 remove_attribute(RigidBody self, SparseFloatKey a0)
8545 remove_attribute(RigidBody self, SparseIntKey a0)
8546 remove_attribute(RigidBody self, SparseStringKey a0)
8547 remove_attribute(RigidBody self, SparseParticleIndexKey a0)
8549 return _IMP_core.RigidBody_remove_attribute(self, *args)
8551 def has_attribute(self, *args):
8553 has_attribute(RigidBody self, FloatKey a0) -> bool
8554 has_attribute(RigidBody self, IntKey a0) -> bool
8555 has_attribute(RigidBody self, FloatsKey a0) -> bool
8556 has_attribute(RigidBody self, IntsKey a0) -> bool
8557 has_attribute(RigidBody self, StringKey a0) -> bool
8558 has_attribute(RigidBody self, ParticleIndexKey a0) -> bool
8559 has_attribute(RigidBody self, ObjectKey a0) -> bool
8560 has_attribute(RigidBody self, SparseFloatKey a0) -> bool
8561 has_attribute(RigidBody self, SparseIntKey a0) -> bool
8562 has_attribute(RigidBody self, SparseStringKey a0) -> bool
8563 has_attribute(RigidBody self, SparseParticleIndexKey a0) -> bool
8565 return _IMP_core.RigidBody_has_attribute(self, *args)
8567 def get_derivative(self, a0):
8568 r"""get_derivative(RigidBody self, FloatKey a0) -> double"""
8569 return _IMP_core.RigidBody_get_derivative(self, a0)
8572 r"""get_name(RigidBody self) -> std::string"""
8573 return _IMP_core.RigidBody_get_name(self)
8575 def clear_caches(self):
8576 r"""clear_caches(RigidBody self)"""
8577 return _IMP_core.RigidBody_clear_caches(self)
8579 def set_name(self, a0):
8580 r"""set_name(RigidBody self, std::string a0)"""
8581 return _IMP_core.RigidBody_set_name(self, a0)
8584 r"""set_check_level(RigidBody self, IMP::CheckLevel a0)"""
8585 return _IMP_core.RigidBody_set_check_level(self, a0)
8587 def add_to_derivative(self, a0, a1, a2):
8588 r"""add_to_derivative(RigidBody self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8589 return _IMP_core.RigidBody_add_to_derivative(self, a0, a1, a2)
8591 def set_is_optimized(self, a0, a1):
8592 r"""set_is_optimized(RigidBody self, FloatKey a0, bool a1)"""
8593 return _IMP_core.RigidBody_set_is_optimized(self, a0, a1)
8595 def get_is_optimized(self, a0):
8596 r"""get_is_optimized(RigidBody self, FloatKey a0) -> bool"""
8597 return _IMP_core.RigidBody_get_is_optimized(self, a0)
8600 r"""get_check_level(RigidBody self) -> IMP::CheckLevel"""
8601 return _IMP_core.RigidBody_get_check_level(self)
8603 def __eq__(self, *args):
8605 __eq__(RigidBody self, RigidBody o) -> bool
8606 __eq__(RigidBody self, Particle d) -> bool
8608 return _IMP_core.RigidBody___eq__(self, *args)
8610 def __ne__(self, *args):
8612 __ne__(RigidBody self, RigidBody o) -> bool
8613 __ne__(RigidBody self, Particle d) -> bool
8615 return _IMP_core.RigidBody___ne__(self, *args)
8617 def __le__(self, *args):
8619 __le__(RigidBody self, RigidBody o) -> bool
8620 __le__(RigidBody self, Particle d) -> bool
8622 return _IMP_core.RigidBody___le__(self, *args)
8624 def __lt__(self, *args):
8626 __lt__(RigidBody self, RigidBody o) -> bool
8627 __lt__(RigidBody self, Particle d) -> bool
8629 return _IMP_core.RigidBody___lt__(self, *args)
8631 def __ge__(self, *args):
8633 __ge__(RigidBody self, RigidBody o) -> bool
8634 __ge__(RigidBody self, Particle d) -> bool
8636 return _IMP_core.RigidBody___ge__(self, *args)
8638 def __gt__(self, *args):
8640 __gt__(RigidBody self, RigidBody o) -> bool
8641 __gt__(RigidBody self, Particle d) -> bool
8643 return _IMP_core.RigidBody___gt__(self, *args)
8646 r"""__hash__(RigidBody self) -> std::size_t"""
8647 return _IMP_core.RigidBody___hash__(self)
8650 r"""__str__(RigidBody self) -> std::string"""
8651 return _IMP_core.RigidBody___str__(self)
8654 r"""__repr__(RigidBody self) -> std::string"""
8655 return _IMP_core.RigidBody___repr__(self)
8657 def _get_as_binary(self):
8658 r"""_get_as_binary(RigidBody self) -> PyObject *"""
8659 return _IMP_core.RigidBody__get_as_binary(self)
8661 def _set_from_binary(self, p):
8662 r"""_set_from_binary(RigidBody self, PyObject * p)"""
8663 return _IMP_core.RigidBody__set_from_binary(self, p)
8665 def __getstate__(self):
8666 p = self._get_as_binary()
8667 if len(self.__dict__) > 1:
8668 d = self.__dict__.copy()
8673 def __setstate__(self, p):
8674 if not hasattr(self,
'this'):
8676 if isinstance(p, tuple):
8678 self.__dict__.update(d)
8679 return self._set_from_binary(p)
8683 _IMP_core.RigidBody_swigregister(RigidBody)
8686 r"""add_rigid_body_cache_key(ObjectKey k)"""
8687 return _IMP_core.add_rigid_body_cache_key(k)
8688 class RigidBodyMember(XYZ):
8689 r"""Proxy of C++ IMP::core::RigidBodyMember class."""
8691 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8693 def show(self, *args):
8694 r"""show(RigidBodyMember self, _ostream out=std::cout)"""
8695 return _IMP_core.RigidBodyMember_show(self, *args)
8697 def get_rigid_body(self):
8698 r"""get_rigid_body(RigidBodyMember self) -> RigidBody"""
8699 return _IMP_core.RigidBodyMember_get_rigid_body(self)
8701 def get_internal_coordinates(self):
8702 r"""get_internal_coordinates(RigidBodyMember self) -> Vector3D"""
8703 return _IMP_core.RigidBodyMember_get_internal_coordinates(self)
8705 def set_internal_coordinates(self, v):
8706 r"""set_internal_coordinates(RigidBodyMember self, Vector3D v)"""
8707 return _IMP_core.RigidBodyMember_set_internal_coordinates(self, v)
8709 def set_internal_transformation(self, v):
8710 r"""set_internal_transformation(RigidBodyMember self, Transformation3D v)"""
8711 return _IMP_core.RigidBodyMember_set_internal_transformation(self, v)
8713 def get_internal_transformation(self):
8714 r"""get_internal_transformation(RigidBodyMember self) -> Transformation3D"""
8715 return _IMP_core.RigidBodyMember_get_internal_transformation(self)
8716 __swig_destroy__ = _IMP_core.delete_RigidBodyMember
8718 def set_coordinates(self, *args):
8720 set_coordinates(RigidBodyMember self, Vector3D center)
8721 set_coordinates(RigidBodyMember self, Transformation3D tr)
8723 return _IMP_core.RigidBodyMember_set_coordinates(self, *args)
8725 def __init__(self, *args):
8727 __init__(RigidBodyMember self) -> RigidBodyMember
8728 __init__(RigidBodyMember self, Model m, ParticleIndex id) -> RigidBodyMember
8729 __init__(RigidBodyMember self, _ParticleAdaptor d) -> RigidBodyMember
8730 __init__(RigidBodyMember self, RigidBodyMember arg2) -> RigidBodyMember
8732 _IMP_core.RigidBodyMember_swiginit(self, _IMP_core.new_RigidBodyMember(*args))
8735 def get_is_setup(*args):
8737 get_is_setup(_ParticleAdaptor p) -> bool
8738 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
8740 return _IMP_core.RigidBodyMember_get_is_setup(*args)
8743 def get_internal_coordinate_keys():
8744 r"""get_internal_coordinate_keys() -> IMP::FloatKeys"""
8745 return _IMP_core.RigidBodyMember_get_internal_coordinate_keys()
8748 def get_internal_rotation_key():
8749 r"""get_internal_rotation_key() -> Vector4DDerivKey"""
8750 return _IMP_core.RigidBodyMember_get_internal_rotation_key()
8752 def add_attribute(self, *args):
8754 add_attribute(RigidBodyMember self, FloatKey k, IMP::Float v, bool opt)
8755 add_attribute(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8756 add_attribute(RigidBodyMember self, IntKey a0, IMP::Int a1)
8757 add_attribute(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8758 add_attribute(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8759 add_attribute(RigidBodyMember self, StringKey a0, IMP::String a1)
8760 add_attribute(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8761 add_attribute(RigidBodyMember self, ObjectKey a0, Object a1)
8762 add_attribute(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8763 add_attribute(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8764 add_attribute(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8765 add_attribute(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8767 return _IMP_core.RigidBodyMember_add_attribute(self, *args)
8769 def get_value(self, *args):
8771 get_value(RigidBodyMember self, FloatKey a0) -> IMP::Float
8772 get_value(RigidBodyMember self, IntKey a0) -> IMP::Int
8773 get_value(RigidBodyMember self, FloatsKey a0) -> IMP::Floats
8774 get_value(RigidBodyMember self, IntsKey a0) -> IMP::Ints
8775 get_value(RigidBodyMember self, StringKey a0) -> IMP::String
8776 get_value(RigidBodyMember self, ParticleIndexKey a0) -> Particle
8777 get_value(RigidBodyMember self, ObjectKey a0) -> Object
8778 get_value(RigidBodyMember self, SparseFloatKey a0) -> IMP::Float
8779 get_value(RigidBodyMember self, SparseIntKey a0) -> IMP::Int
8780 get_value(RigidBodyMember self, SparseStringKey a0) -> IMP::String
8781 get_value(RigidBodyMember self, SparseParticleIndexKey a0) -> ParticleIndex
8783 return _IMP_core.RigidBodyMember_get_value(self, *args)
8785 def set_value(self, *args):
8787 set_value(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8788 set_value(RigidBodyMember self, IntKey a0, IMP::Int a1)
8789 set_value(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8790 set_value(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8791 set_value(RigidBodyMember self, StringKey a0, IMP::String a1)
8792 set_value(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8793 set_value(RigidBodyMember self, ObjectKey a0, Object a1)
8794 set_value(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8795 set_value(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8796 set_value(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8797 set_value(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8799 return _IMP_core.RigidBodyMember_set_value(self, *args)
8801 def remove_attribute(self, *args):
8803 remove_attribute(RigidBodyMember self, FloatKey a0)
8804 remove_attribute(RigidBodyMember self, IntKey a0)
8805 remove_attribute(RigidBodyMember self, FloatsKey a0)
8806 remove_attribute(RigidBodyMember self, IntsKey a0)
8807 remove_attribute(RigidBodyMember self, StringKey a0)
8808 remove_attribute(RigidBodyMember self, ParticleIndexKey a0)
8809 remove_attribute(RigidBodyMember self, ObjectKey a0)
8810 remove_attribute(RigidBodyMember self, SparseFloatKey a0)
8811 remove_attribute(RigidBodyMember self, SparseIntKey a0)
8812 remove_attribute(RigidBodyMember self, SparseStringKey a0)
8813 remove_attribute(RigidBodyMember self, SparseParticleIndexKey a0)
8815 return _IMP_core.RigidBodyMember_remove_attribute(self, *args)
8817 def has_attribute(self, *args):
8819 has_attribute(RigidBodyMember self, FloatKey a0) -> bool
8820 has_attribute(RigidBodyMember self, IntKey a0) -> bool
8821 has_attribute(RigidBodyMember self, FloatsKey a0) -> bool
8822 has_attribute(RigidBodyMember self, IntsKey a0) -> bool
8823 has_attribute(RigidBodyMember self, StringKey a0) -> bool
8824 has_attribute(RigidBodyMember self, ParticleIndexKey a0) -> bool
8825 has_attribute(RigidBodyMember self, ObjectKey a0) -> bool
8826 has_attribute(RigidBodyMember self, SparseFloatKey a0) -> bool
8827 has_attribute(RigidBodyMember self, SparseIntKey a0) -> bool
8828 has_attribute(RigidBodyMember self, SparseStringKey a0) -> bool
8829 has_attribute(RigidBodyMember self, SparseParticleIndexKey a0) -> bool
8831 return _IMP_core.RigidBodyMember_has_attribute(self, *args)
8833 def get_derivative(self, a0):
8834 r"""get_derivative(RigidBodyMember self, FloatKey a0) -> double"""
8835 return _IMP_core.RigidBodyMember_get_derivative(self, a0)
8838 r"""get_name(RigidBodyMember self) -> std::string"""
8839 return _IMP_core.RigidBodyMember_get_name(self)
8841 def clear_caches(self):
8842 r"""clear_caches(RigidBodyMember self)"""
8843 return _IMP_core.RigidBodyMember_clear_caches(self)
8845 def set_name(self, a0):
8846 r"""set_name(RigidBodyMember self, std::string a0)"""
8847 return _IMP_core.RigidBodyMember_set_name(self, a0)
8850 r"""set_check_level(RigidBodyMember self, IMP::CheckLevel a0)"""
8851 return _IMP_core.RigidBodyMember_set_check_level(self, a0)
8853 def add_to_derivative(self, a0, a1, a2):
8854 r"""add_to_derivative(RigidBodyMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8855 return _IMP_core.RigidBodyMember_add_to_derivative(self, a0, a1, a2)
8857 def set_is_optimized(self, a0, a1):
8858 r"""set_is_optimized(RigidBodyMember self, FloatKey a0, bool a1)"""
8859 return _IMP_core.RigidBodyMember_set_is_optimized(self, a0, a1)
8861 def get_is_optimized(self, a0):
8862 r"""get_is_optimized(RigidBodyMember self, FloatKey a0) -> bool"""
8863 return _IMP_core.RigidBodyMember_get_is_optimized(self, a0)
8866 r"""get_check_level(RigidBodyMember self) -> IMP::CheckLevel"""
8867 return _IMP_core.RigidBodyMember_get_check_level(self)
8869 def __eq__(self, *args):
8871 __eq__(RigidBodyMember self, RigidBodyMember o) -> bool
8872 __eq__(RigidBodyMember self, Particle d) -> bool
8874 return _IMP_core.RigidBodyMember___eq__(self, *args)
8876 def __ne__(self, *args):
8878 __ne__(RigidBodyMember self, RigidBodyMember o) -> bool
8879 __ne__(RigidBodyMember self, Particle d) -> bool
8881 return _IMP_core.RigidBodyMember___ne__(self, *args)
8883 def __le__(self, *args):
8885 __le__(RigidBodyMember self, RigidBodyMember o) -> bool
8886 __le__(RigidBodyMember self, Particle d) -> bool
8888 return _IMP_core.RigidBodyMember___le__(self, *args)
8890 def __lt__(self, *args):
8892 __lt__(RigidBodyMember self, RigidBodyMember o) -> bool
8893 __lt__(RigidBodyMember self, Particle d) -> bool
8895 return _IMP_core.RigidBodyMember___lt__(self, *args)
8897 def __ge__(self, *args):
8899 __ge__(RigidBodyMember self, RigidBodyMember o) -> bool
8900 __ge__(RigidBodyMember self, Particle d) -> bool
8902 return _IMP_core.RigidBodyMember___ge__(self, *args)
8904 def __gt__(self, *args):
8906 __gt__(RigidBodyMember self, RigidBodyMember o) -> bool
8907 __gt__(RigidBodyMember self, Particle d) -> bool
8909 return _IMP_core.RigidBodyMember___gt__(self, *args)
8912 r"""__hash__(RigidBodyMember self) -> std::size_t"""
8913 return _IMP_core.RigidBodyMember___hash__(self)
8916 r"""__str__(RigidBodyMember self) -> std::string"""
8917 return _IMP_core.RigidBodyMember___str__(self)
8920 r"""__repr__(RigidBodyMember self) -> std::string"""
8921 return _IMP_core.RigidBodyMember___repr__(self)
8923 def _get_as_binary(self):
8924 r"""_get_as_binary(RigidBodyMember self) -> PyObject *"""
8925 return _IMP_core.RigidBodyMember__get_as_binary(self)
8927 def _set_from_binary(self, p):
8928 r"""_set_from_binary(RigidBodyMember self, PyObject * p)"""
8929 return _IMP_core.RigidBodyMember__set_from_binary(self, p)
8931 def __getstate__(self):
8932 p = self._get_as_binary()
8933 if len(self.__dict__) > 1:
8934 d = self.__dict__.copy()
8939 def __setstate__(self, p):
8940 if not hasattr(self,
'this'):
8942 if isinstance(p, tuple):
8944 self.__dict__.update(d)
8945 return self._set_from_binary(p)
8949 _IMP_core.RigidBodyMember_swigregister(RigidBodyMember)
8950 class RigidMember(RigidBodyMember):
8951 r"""Proxy of C++ IMP::core::RigidMember class."""
8953 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8955 def show(self, *args):
8956 r"""show(RigidMember self, _ostream out=std::cout)"""
8957 return _IMP_core.RigidMember_show(self, *args)
8959 def __init__(self, *args):
8961 __init__(RigidMember self) -> RigidMember
8962 __init__(RigidMember self, Model m, ParticleIndex id) -> RigidMember
8963 __init__(RigidMember self, _ParticleAdaptor d) -> RigidMember
8964 __init__(RigidMember self, RigidMember arg2) -> RigidMember
8966 _IMP_core.RigidMember_swiginit(self, _IMP_core.new_RigidMember(*args))
8967 __swig_destroy__ = _IMP_core.delete_RigidMember
8970 def get_is_setup(*args):
8972 get_is_setup(_ParticleAdaptor p) -> bool
8973 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
8975 return _IMP_core.RigidMember_get_is_setup(*args)
8977 def add_attribute(self, *args):
8979 add_attribute(RigidMember self, FloatKey k, IMP::Float v, bool opt)
8980 add_attribute(RigidMember self, FloatKey a0, IMP::Float a1)
8981 add_attribute(RigidMember self, IntKey a0, IMP::Int a1)
8982 add_attribute(RigidMember self, FloatsKey a0, IMP::Floats a1)
8983 add_attribute(RigidMember self, IntsKey a0, IMP::Ints a1)
8984 add_attribute(RigidMember self, StringKey a0, IMP::String a1)
8985 add_attribute(RigidMember self, ParticleIndexKey a0, Particle a1)
8986 add_attribute(RigidMember self, ObjectKey a0, Object a1)
8987 add_attribute(RigidMember self, SparseFloatKey a0, IMP::Float a1)
8988 add_attribute(RigidMember self, SparseIntKey a0, IMP::Int a1)
8989 add_attribute(RigidMember self, SparseStringKey a0, IMP::String a1)
8990 add_attribute(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8992 return _IMP_core.RigidMember_add_attribute(self, *args)
8994 def get_value(self, *args):
8996 get_value(RigidMember self, FloatKey a0) -> IMP::Float
8997 get_value(RigidMember self, IntKey a0) -> IMP::Int
8998 get_value(RigidMember self, FloatsKey a0) -> IMP::Floats
8999 get_value(RigidMember self, IntsKey a0) -> IMP::Ints
9000 get_value(RigidMember self, StringKey a0) -> IMP::String
9001 get_value(RigidMember self, ParticleIndexKey a0) -> Particle
9002 get_value(RigidMember self, ObjectKey a0) -> Object
9003 get_value(RigidMember self, SparseFloatKey a0) -> IMP::Float
9004 get_value(RigidMember self, SparseIntKey a0) -> IMP::Int
9005 get_value(RigidMember self, SparseStringKey a0) -> IMP::String
9006 get_value(RigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
9008 return _IMP_core.RigidMember_get_value(self, *args)
9010 def set_value(self, *args):
9012 set_value(RigidMember self, FloatKey a0, IMP::Float a1)
9013 set_value(RigidMember self, IntKey a0, IMP::Int a1)
9014 set_value(RigidMember self, FloatsKey a0, IMP::Floats a1)
9015 set_value(RigidMember self, IntsKey a0, IMP::Ints a1)
9016 set_value(RigidMember self, StringKey a0, IMP::String a1)
9017 set_value(RigidMember self, ParticleIndexKey a0, Particle a1)
9018 set_value(RigidMember self, ObjectKey a0, Object a1)
9019 set_value(RigidMember self, SparseFloatKey a0, IMP::Float a1)
9020 set_value(RigidMember self, SparseIntKey a0, IMP::Int a1)
9021 set_value(RigidMember self, SparseStringKey a0, IMP::String a1)
9022 set_value(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
9024 return _IMP_core.RigidMember_set_value(self, *args)
9026 def remove_attribute(self, *args):
9028 remove_attribute(RigidMember self, FloatKey a0)
9029 remove_attribute(RigidMember self, IntKey a0)
9030 remove_attribute(RigidMember self, FloatsKey a0)
9031 remove_attribute(RigidMember self, IntsKey a0)
9032 remove_attribute(RigidMember self, StringKey a0)
9033 remove_attribute(RigidMember self, ParticleIndexKey a0)
9034 remove_attribute(RigidMember self, ObjectKey a0)
9035 remove_attribute(RigidMember self, SparseFloatKey a0)
9036 remove_attribute(RigidMember self, SparseIntKey a0)
9037 remove_attribute(RigidMember self, SparseStringKey a0)
9038 remove_attribute(RigidMember self, SparseParticleIndexKey a0)
9040 return _IMP_core.RigidMember_remove_attribute(self, *args)
9042 def has_attribute(self, *args):
9044 has_attribute(RigidMember self, FloatKey a0) -> bool
9045 has_attribute(RigidMember self, IntKey a0) -> bool
9046 has_attribute(RigidMember self, FloatsKey a0) -> bool
9047 has_attribute(RigidMember self, IntsKey a0) -> bool
9048 has_attribute(RigidMember self, StringKey a0) -> bool
9049 has_attribute(RigidMember self, ParticleIndexKey a0) -> bool
9050 has_attribute(RigidMember self, ObjectKey a0) -> bool
9051 has_attribute(RigidMember self, SparseFloatKey a0) -> bool
9052 has_attribute(RigidMember self, SparseIntKey a0) -> bool
9053 has_attribute(RigidMember self, SparseStringKey a0) -> bool
9054 has_attribute(RigidMember self, SparseParticleIndexKey a0) -> bool
9056 return _IMP_core.RigidMember_has_attribute(self, *args)
9058 def get_derivative(self, a0):
9059 r"""get_derivative(RigidMember self, FloatKey a0) -> double"""
9060 return _IMP_core.RigidMember_get_derivative(self, a0)
9063 r"""get_name(RigidMember self) -> std::string"""
9064 return _IMP_core.RigidMember_get_name(self)
9066 def clear_caches(self):
9067 r"""clear_caches(RigidMember self)"""
9068 return _IMP_core.RigidMember_clear_caches(self)
9070 def set_name(self, a0):
9071 r"""set_name(RigidMember self, std::string a0)"""
9072 return _IMP_core.RigidMember_set_name(self, a0)
9075 r"""set_check_level(RigidMember self, IMP::CheckLevel a0)"""
9076 return _IMP_core.RigidMember_set_check_level(self, a0)
9078 def add_to_derivative(self, a0, a1, a2):
9079 r"""add_to_derivative(RigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9080 return _IMP_core.RigidMember_add_to_derivative(self, a0, a1, a2)
9082 def set_is_optimized(self, a0, a1):
9083 r"""set_is_optimized(RigidMember self, FloatKey a0, bool a1)"""
9084 return _IMP_core.RigidMember_set_is_optimized(self, a0, a1)
9086 def get_is_optimized(self, a0):
9087 r"""get_is_optimized(RigidMember self, FloatKey a0) -> bool"""
9088 return _IMP_core.RigidMember_get_is_optimized(self, a0)
9091 r"""get_check_level(RigidMember self) -> IMP::CheckLevel"""
9092 return _IMP_core.RigidMember_get_check_level(self)
9094 def __eq__(self, *args):
9096 __eq__(RigidMember self, RigidMember o) -> bool
9097 __eq__(RigidMember self, Particle d) -> bool
9099 return _IMP_core.RigidMember___eq__(self, *args)
9101 def __ne__(self, *args):
9103 __ne__(RigidMember self, RigidMember o) -> bool
9104 __ne__(RigidMember self, Particle d) -> bool
9106 return _IMP_core.RigidMember___ne__(self, *args)
9108 def __le__(self, *args):
9110 __le__(RigidMember self, RigidMember o) -> bool
9111 __le__(RigidMember self, Particle d) -> bool
9113 return _IMP_core.RigidMember___le__(self, *args)
9115 def __lt__(self, *args):
9117 __lt__(RigidMember self, RigidMember o) -> bool
9118 __lt__(RigidMember self, Particle d) -> bool
9120 return _IMP_core.RigidMember___lt__(self, *args)
9122 def __ge__(self, *args):
9124 __ge__(RigidMember self, RigidMember o) -> bool
9125 __ge__(RigidMember self, Particle d) -> bool
9127 return _IMP_core.RigidMember___ge__(self, *args)
9129 def __gt__(self, *args):
9131 __gt__(RigidMember self, RigidMember o) -> bool
9132 __gt__(RigidMember self, Particle d) -> bool
9134 return _IMP_core.RigidMember___gt__(self, *args)
9137 r"""__hash__(RigidMember self) -> std::size_t"""
9138 return _IMP_core.RigidMember___hash__(self)
9141 r"""__str__(RigidMember self) -> std::string"""
9142 return _IMP_core.RigidMember___str__(self)
9145 r"""__repr__(RigidMember self) -> std::string"""
9146 return _IMP_core.RigidMember___repr__(self)
9148 def _get_as_binary(self):
9149 r"""_get_as_binary(RigidMember self) -> PyObject *"""
9150 return _IMP_core.RigidMember__get_as_binary(self)
9152 def _set_from_binary(self, p):
9153 r"""_set_from_binary(RigidMember self, PyObject * p)"""
9154 return _IMP_core.RigidMember__set_from_binary(self, p)
9156 def __getstate__(self):
9157 p = self._get_as_binary()
9158 if len(self.__dict__) > 1:
9159 d = self.__dict__.copy()
9164 def __setstate__(self, p):
9165 if not hasattr(self,
'this'):
9167 if isinstance(p, tuple):
9169 self.__dict__.update(d)
9170 return self._set_from_binary(p)
9174 _IMP_core.RigidMember_swigregister(RigidMember)
9175 class NonRigidMember(RigidBodyMember):
9176 r"""Proxy of C++ IMP::core::NonRigidMember class."""
9178 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9180 def show(self, *args):
9181 r"""show(NonRigidMember self, _ostream out=std::cout)"""
9182 return _IMP_core.NonRigidMember_show(self, *args)
9184 def __init__(self, *args):
9186 __init__(NonRigidMember self) -> NonRigidMember
9187 __init__(NonRigidMember self, Model m, ParticleIndex id) -> NonRigidMember
9188 __init__(NonRigidMember self, _ParticleAdaptor d) -> NonRigidMember
9189 __init__(NonRigidMember self, NonRigidMember arg2) -> NonRigidMember
9191 _IMP_core.NonRigidMember_swiginit(self, _IMP_core.new_NonRigidMember(*args))
9192 __swig_destroy__ = _IMP_core.delete_NonRigidMember
9195 def get_is_setup(*args):
9197 get_is_setup(_ParticleAdaptor p) -> bool
9198 get_is_setup(Model m, ParticleIndex p) -> bool
9200 return _IMP_core.NonRigidMember_get_is_setup(*args)
9202 def add_to_internal_derivatives(self, deriv_parent, da):
9203 r"""add_to_internal_derivatives(NonRigidMember self, Vector3D deriv_parent, DerivativeAccumulator da)"""
9204 return _IMP_core.NonRigidMember_add_to_internal_derivatives(self, deriv_parent, da)
9206 def add_to_internal_rotational_derivatives(self, qderiv, da):
9207 r"""add_to_internal_rotational_derivatives(NonRigidMember self, Vector4D qderiv, DerivativeAccumulator da)"""
9208 return _IMP_core.NonRigidMember_add_to_internal_rotational_derivatives(self, qderiv, da)
9210 def get_internal_derivatives(self):
9211 r"""get_internal_derivatives(NonRigidMember self) -> Vector3D"""
9212 return _IMP_core.NonRigidMember_get_internal_derivatives(self)
9214 def get_internal_rotational_derivatives(self):
9215 r"""get_internal_rotational_derivatives(NonRigidMember self) -> Vector4D"""
9216 return _IMP_core.NonRigidMember_get_internal_rotational_derivatives(self)
9218 def add_attribute(self, *args):
9220 add_attribute(NonRigidMember self, FloatKey k, IMP::Float v, bool opt)
9221 add_attribute(NonRigidMember self, FloatKey a0, IMP::Float a1)
9222 add_attribute(NonRigidMember self, IntKey a0, IMP::Int a1)
9223 add_attribute(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
9224 add_attribute(NonRigidMember self, IntsKey a0, IMP::Ints a1)
9225 add_attribute(NonRigidMember self, StringKey a0, IMP::String a1)
9226 add_attribute(NonRigidMember self, ParticleIndexKey a0, Particle a1)
9227 add_attribute(NonRigidMember self, ObjectKey a0, Object a1)
9228 add_attribute(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
9229 add_attribute(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
9230 add_attribute(NonRigidMember self, SparseStringKey a0, IMP::String a1)
9231 add_attribute(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
9233 return _IMP_core.NonRigidMember_add_attribute(self, *args)
9235 def get_value(self, *args):
9237 get_value(NonRigidMember self, FloatKey a0) -> IMP::Float
9238 get_value(NonRigidMember self, IntKey a0) -> IMP::Int
9239 get_value(NonRigidMember self, FloatsKey a0) -> IMP::Floats
9240 get_value(NonRigidMember self, IntsKey a0) -> IMP::Ints
9241 get_value(NonRigidMember self, StringKey a0) -> IMP::String
9242 get_value(NonRigidMember self, ParticleIndexKey a0) -> Particle
9243 get_value(NonRigidMember self, ObjectKey a0) -> Object
9244 get_value(NonRigidMember self, SparseFloatKey a0) -> IMP::Float
9245 get_value(NonRigidMember self, SparseIntKey a0) -> IMP::Int
9246 get_value(NonRigidMember self, SparseStringKey a0) -> IMP::String
9247 get_value(NonRigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
9249 return _IMP_core.NonRigidMember_get_value(self, *args)
9251 def set_value(self, *args):
9253 set_value(NonRigidMember self, FloatKey a0, IMP::Float a1)
9254 set_value(NonRigidMember self, IntKey a0, IMP::Int a1)
9255 set_value(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
9256 set_value(NonRigidMember self, IntsKey a0, IMP::Ints a1)
9257 set_value(NonRigidMember self, StringKey a0, IMP::String a1)
9258 set_value(NonRigidMember self, ParticleIndexKey a0, Particle a1)
9259 set_value(NonRigidMember self, ObjectKey a0, Object a1)
9260 set_value(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
9261 set_value(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
9262 set_value(NonRigidMember self, SparseStringKey a0, IMP::String a1)
9263 set_value(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
9265 return _IMP_core.NonRigidMember_set_value(self, *args)
9267 def remove_attribute(self, *args):
9269 remove_attribute(NonRigidMember self, FloatKey a0)
9270 remove_attribute(NonRigidMember self, IntKey a0)
9271 remove_attribute(NonRigidMember self, FloatsKey a0)
9272 remove_attribute(NonRigidMember self, IntsKey a0)
9273 remove_attribute(NonRigidMember self, StringKey a0)
9274 remove_attribute(NonRigidMember self, ParticleIndexKey a0)
9275 remove_attribute(NonRigidMember self, ObjectKey a0)
9276 remove_attribute(NonRigidMember self, SparseFloatKey a0)
9277 remove_attribute(NonRigidMember self, SparseIntKey a0)
9278 remove_attribute(NonRigidMember self, SparseStringKey a0)
9279 remove_attribute(NonRigidMember self, SparseParticleIndexKey a0)
9281 return _IMP_core.NonRigidMember_remove_attribute(self, *args)
9283 def has_attribute(self, *args):
9285 has_attribute(NonRigidMember self, FloatKey a0) -> bool
9286 has_attribute(NonRigidMember self, IntKey a0) -> bool
9287 has_attribute(NonRigidMember self, FloatsKey a0) -> bool
9288 has_attribute(NonRigidMember self, IntsKey a0) -> bool
9289 has_attribute(NonRigidMember self, StringKey a0) -> bool
9290 has_attribute(NonRigidMember self, ParticleIndexKey a0) -> bool
9291 has_attribute(NonRigidMember self, ObjectKey a0) -> bool
9292 has_attribute(NonRigidMember self, SparseFloatKey a0) -> bool
9293 has_attribute(NonRigidMember self, SparseIntKey a0) -> bool
9294 has_attribute(NonRigidMember self, SparseStringKey a0) -> bool
9295 has_attribute(NonRigidMember self, SparseParticleIndexKey a0) -> bool
9297 return _IMP_core.NonRigidMember_has_attribute(self, *args)
9299 def get_derivative(self, a0):
9300 r"""get_derivative(NonRigidMember self, FloatKey a0) -> double"""
9301 return _IMP_core.NonRigidMember_get_derivative(self, a0)
9304 r"""get_name(NonRigidMember self) -> std::string"""
9305 return _IMP_core.NonRigidMember_get_name(self)
9307 def clear_caches(self):
9308 r"""clear_caches(NonRigidMember self)"""
9309 return _IMP_core.NonRigidMember_clear_caches(self)
9311 def set_name(self, a0):
9312 r"""set_name(NonRigidMember self, std::string a0)"""
9313 return _IMP_core.NonRigidMember_set_name(self, a0)
9316 r"""set_check_level(NonRigidMember self, IMP::CheckLevel a0)"""
9317 return _IMP_core.NonRigidMember_set_check_level(self, a0)
9319 def add_to_derivative(self, a0, a1, a2):
9320 r"""add_to_derivative(NonRigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9321 return _IMP_core.NonRigidMember_add_to_derivative(self, a0, a1, a2)
9323 def set_is_optimized(self, a0, a1):
9324 r"""set_is_optimized(NonRigidMember self, FloatKey a0, bool a1)"""
9325 return _IMP_core.NonRigidMember_set_is_optimized(self, a0, a1)
9327 def get_is_optimized(self, a0):
9328 r"""get_is_optimized(NonRigidMember self, FloatKey a0) -> bool"""
9329 return _IMP_core.NonRigidMember_get_is_optimized(self, a0)
9332 r"""get_check_level(NonRigidMember self) -> IMP::CheckLevel"""
9333 return _IMP_core.NonRigidMember_get_check_level(self)
9335 def __eq__(self, *args):
9337 __eq__(NonRigidMember self, NonRigidMember o) -> bool
9338 __eq__(NonRigidMember self, Particle d) -> bool
9340 return _IMP_core.NonRigidMember___eq__(self, *args)
9342 def __ne__(self, *args):
9344 __ne__(NonRigidMember self, NonRigidMember o) -> bool
9345 __ne__(NonRigidMember self, Particle d) -> bool
9347 return _IMP_core.NonRigidMember___ne__(self, *args)
9349 def __le__(self, *args):
9351 __le__(NonRigidMember self, NonRigidMember o) -> bool
9352 __le__(NonRigidMember self, Particle d) -> bool
9354 return _IMP_core.NonRigidMember___le__(self, *args)
9356 def __lt__(self, *args):
9358 __lt__(NonRigidMember self, NonRigidMember o) -> bool
9359 __lt__(NonRigidMember self, Particle d) -> bool
9361 return _IMP_core.NonRigidMember___lt__(self, *args)
9363 def __ge__(self, *args):
9365 __ge__(NonRigidMember self, NonRigidMember o) -> bool
9366 __ge__(NonRigidMember self, Particle d) -> bool
9368 return _IMP_core.NonRigidMember___ge__(self, *args)
9370 def __gt__(self, *args):
9372 __gt__(NonRigidMember self, NonRigidMember o) -> bool
9373 __gt__(NonRigidMember self, Particle d) -> bool
9375 return _IMP_core.NonRigidMember___gt__(self, *args)
9378 r"""__hash__(NonRigidMember self) -> std::size_t"""
9379 return _IMP_core.NonRigidMember___hash__(self)
9382 r"""__str__(NonRigidMember self) -> std::string"""
9383 return _IMP_core.NonRigidMember___str__(self)
9386 r"""__repr__(NonRigidMember self) -> std::string"""
9387 return _IMP_core.NonRigidMember___repr__(self)
9389 def _get_as_binary(self):
9390 r"""_get_as_binary(NonRigidMember self) -> PyObject *"""
9391 return _IMP_core.NonRigidMember__get_as_binary(self)
9393 def _set_from_binary(self, p):
9394 r"""_set_from_binary(NonRigidMember self, PyObject * p)"""
9395 return _IMP_core.NonRigidMember__set_from_binary(self, p)
9397 def __getstate__(self):
9398 p = self._get_as_binary()
9399 if len(self.__dict__) > 1:
9400 d = self.__dict__.copy()
9405 def __setstate__(self, p):
9406 if not hasattr(self,
'this'):
9408 if isinstance(p, tuple):
9410 self.__dict__.update(d)
9411 return self._set_from_binary(p)
9415 _IMP_core.NonRigidMember_swigregister(NonRigidMember)
9417 r"""Proxy of C++ IMP::core::RigidMembersRefiner class."""
9419 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9421 def __init__(self, *args):
9422 r"""__init__(RigidMembersRefiner self, std::string name="RigidMembersRefiner%d") -> RigidMembersRefiner"""
9423 _IMP_core.RigidMembersRefiner_swiginit(self, _IMP_core.new_RigidMembersRefiner(*args))
9425 def do_get_inputs(self, m, pis):
9426 r"""do_get_inputs(RigidMembersRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9427 return _IMP_core.RigidMembersRefiner_do_get_inputs(self, m, pis)
9429 def get_version_info(self):
9430 r"""get_version_info(RigidMembersRefiner self) -> VersionInfo"""
9431 return _IMP_core.RigidMembersRefiner_get_version_info(self)
9432 __swig_destroy__ = _IMP_core.delete_RigidMembersRefiner
9435 r"""__str__(RigidMembersRefiner self) -> std::string"""
9436 return _IMP_core.RigidMembersRefiner___str__(self)
9439 r"""__repr__(RigidMembersRefiner self) -> std::string"""
9440 return _IMP_core.RigidMembersRefiner___repr__(self)
9444 return _object_cast_to_RigidMembersRefiner(o)
9448 _IMP_core.RigidMembersRefiner_swigregister(RigidMembersRefiner)
9450 def get_rigid_members_refiner():
9451 r"""get_rigid_members_refiner() -> RigidMembersRefiner"""
9452 return _IMP_core.get_rigid_members_refiner()
9456 transform(XYZ a, Transformation3D tr)
9457 transform(RigidBody a, Transformation3D tr)
9459 return _IMP_core.transform(*args)
9463 get_initial_reference_frame(Model m, IMP::ParticleIndexes const & pis) -> ReferenceFrame3D
9464 get_initial_reference_frame(IMP::ParticlesTemp const & ps) -> ReferenceFrame3D
9466 return _IMP_core.get_initial_reference_frame(*args)
9469 r"""create_rigid_bodies(Model m, unsigned int n, bool no_members=False) -> IMP::ParticlesTemp"""
9470 return _IMP_core.create_rigid_bodies(m, n, no_members)
9473 r"""show_rigid_body_hierarchy(RigidBody rb, TextOutput out=IMP::TextOutput(std::cout))"""
9474 return _IMP_core.show_rigid_body_hierarchy(*args)
9477 r"""get_root_rigid_body(RigidMember m) -> ParticleIndex"""
9478 return _IMP_core.get_root_rigid_body(m)
9480 r"""Proxy of C++ IMP::core::internal::_UpdateRigidBodyMembers class."""
9482 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9484 def __init__(self, *args):
9485 r"""__init__(_UpdateRigidBodyMembers self, std::string name="UpdateRigidBodyMembers%1%") -> _UpdateRigidBodyMembers"""
9486 _IMP_core._UpdateRigidBodyMembers_swiginit(self, _IMP_core.new__UpdateRigidBodyMembers(*args))
9488 def do_get_inputs(self, m, pis):
9489 r"""do_get_inputs(_UpdateRigidBodyMembers self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9490 return _IMP_core._UpdateRigidBodyMembers_do_get_inputs(self, m, pis)
9492 def do_get_outputs(self, m, pis):
9493 r"""do_get_outputs(_UpdateRigidBodyMembers self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9494 return _IMP_core._UpdateRigidBodyMembers_do_get_outputs(self, m, pis)
9496 def get_version_info(self):
9497 r"""get_version_info(_UpdateRigidBodyMembers self) -> VersionInfo"""
9498 return _IMP_core._UpdateRigidBodyMembers_get_version_info(self)
9499 __swig_destroy__ = _IMP_core.delete__UpdateRigidBodyMembers
9502 r"""__str__(_UpdateRigidBodyMembers self) -> std::string"""
9503 return _IMP_core._UpdateRigidBodyMembers___str__(self)
9506 r"""__repr__(_UpdateRigidBodyMembers self) -> std::string"""
9507 return _IMP_core._UpdateRigidBodyMembers___repr__(self)
9511 return _object_cast_to__UpdateRigidBodyMembers(o)
9515 _IMP_core._UpdateRigidBodyMembers_swigregister(_UpdateRigidBodyMembers)
9517 r"""Proxy of C++ IMP::core::internal::_AccumulateRigidBodyDerivatives class."""
9519 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9521 def __init__(self, *args):
9522 r"""__init__(_AccumulateRigidBodyDerivatives self, std::string name="AccumulateRigidBodyDerivatives%1%") -> _AccumulateRigidBodyDerivatives"""
9523 _IMP_core._AccumulateRigidBodyDerivatives_swiginit(self, _IMP_core.new__AccumulateRigidBodyDerivatives(*args))
9525 def do_get_inputs(self, m, pis):
9526 r"""do_get_inputs(_AccumulateRigidBodyDerivatives self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9527 return _IMP_core._AccumulateRigidBodyDerivatives_do_get_inputs(self, m, pis)
9529 def do_get_outputs(self, m, pis):
9530 r"""do_get_outputs(_AccumulateRigidBodyDerivatives self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9531 return _IMP_core._AccumulateRigidBodyDerivatives_do_get_outputs(self, m, pis)
9533 def get_version_info(self):
9534 r"""get_version_info(_AccumulateRigidBodyDerivatives self) -> VersionInfo"""
9535 return _IMP_core._AccumulateRigidBodyDerivatives_get_version_info(self)
9536 __swig_destroy__ = _IMP_core.delete__AccumulateRigidBodyDerivatives
9539 r"""__str__(_AccumulateRigidBodyDerivatives self) -> std::string"""
9540 return _IMP_core._AccumulateRigidBodyDerivatives___str__(self)
9543 r"""__repr__(_AccumulateRigidBodyDerivatives self) -> std::string"""
9544 return _IMP_core._AccumulateRigidBodyDerivatives___repr__(self)
9548 return _object_cast_to__AccumulateRigidBodyDerivatives(o)
9552 _IMP_core._AccumulateRigidBodyDerivatives_swigregister(_AccumulateRigidBodyDerivatives)
9554 r"""Proxy of C++ IMP::core::internal::_NormalizeRotation class."""
9556 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9558 def __init__(self, *args):
9559 r"""__init__(_NormalizeRotation self, std::string name="NormalizeRotation%1%") -> _NormalizeRotation"""
9560 _IMP_core._NormalizeRotation_swiginit(self, _IMP_core.new__NormalizeRotation(*args))
9562 def do_get_inputs(self, m, pis):
9563 r"""do_get_inputs(_NormalizeRotation self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9564 return _IMP_core._NormalizeRotation_do_get_inputs(self, m, pis)
9566 def do_get_outputs(self, m, pis):
9567 r"""do_get_outputs(_NormalizeRotation self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9568 return _IMP_core._NormalizeRotation_do_get_outputs(self, m, pis)
9570 def get_version_info(self):
9571 r"""get_version_info(_NormalizeRotation self) -> VersionInfo"""
9572 return _IMP_core._NormalizeRotation_get_version_info(self)
9573 __swig_destroy__ = _IMP_core.delete__NormalizeRotation
9576 r"""__str__(_NormalizeRotation self) -> std::string"""
9577 return _IMP_core._NormalizeRotation___str__(self)
9580 r"""__repr__(_NormalizeRotation self) -> std::string"""
9581 return _IMP_core._NormalizeRotation___repr__(self)
9585 return _object_cast_to__NormalizeRotation(o)
9589 _IMP_core._NormalizeRotation_swigregister(_NormalizeRotation)
9591 r"""Proxy of C++ IMP::core::internal::_RigidBodyNormalizeConstraint class."""
9593 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9595 def __init__(self, *args, **kwargs):
9596 raise AttributeError(
"No constructor defined - class is abstract")
9598 def get_before_modifier(self):
9599 r"""get_before_modifier(_RigidBodyNormalizeConstraint self) -> _NormalizeRotation"""
9600 return _IMP_core._RigidBodyNormalizeConstraint_get_before_modifier(self)
9602 def get_container(self):
9603 r"""get_container(_RigidBodyNormalizeConstraint self) -> Container"""
9604 return _IMP_core._RigidBodyNormalizeConstraint_get_container(self)
9606 def get_version_info(self):
9607 r"""get_version_info(_RigidBodyNormalizeConstraint self) -> VersionInfo"""
9608 return _IMP_core._RigidBodyNormalizeConstraint_get_version_info(self)
9609 __swig_destroy__ = _IMP_core.delete__RigidBodyNormalizeConstraint
9612 r"""__str__(_RigidBodyNormalizeConstraint self) -> std::string"""
9613 return _IMP_core._RigidBodyNormalizeConstraint___str__(self)
9616 r"""__repr__(_RigidBodyNormalizeConstraint self) -> std::string"""
9617 return _IMP_core._RigidBodyNormalizeConstraint___repr__(self)
9621 return _object_cast_to__RigidBodyNormalizeConstraint(o)
9625 from IMP.algebra._jax_util
import _quaternion_normalize
9627 normalize_rotations = jax.vmap(_quaternion_normalize, in_axes=0)
9630 allrbs = jm[
'rigid_bodies']
9631 allrbs.quaternion = normalize_rotations(allrbs.quaternion)
9633 return self._wrap_jax(apply_func, keys=[
'rigid_bodies'])
9637 _IMP_core._RigidBodyNormalizeConstraint_swigregister(_RigidBodyNormalizeConstraint)
9639 r"""Proxy of C++ IMP::core::internal::_RigidBodyPositionConstraint class."""
9641 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9643 def __init__(self, *args, **kwargs):
9644 raise AttributeError(
"No constructor defined - class is abstract")
9646 def get_version_info(self):
9647 r"""get_version_info(_RigidBodyPositionConstraint self) -> VersionInfo"""
9648 return _IMP_core._RigidBodyPositionConstraint_get_version_info(self)
9649 __swig_destroy__ = _IMP_core.delete__RigidBodyPositionConstraint
9651 def get_before_modifier(self):
9652 r"""get_before_modifier(_RigidBodyPositionConstraint self) -> _UpdateRigidBodyMembers"""
9653 return _IMP_core._RigidBodyPositionConstraint_get_before_modifier(self)
9655 def get_after_modifier(self):
9656 r"""get_after_modifier(_RigidBodyPositionConstraint self) -> _AccumulateRigidBodyDerivatives"""
9657 return _IMP_core._RigidBodyPositionConstraint_get_after_modifier(self)
9660 r"""get_index(_RigidBodyPositionConstraint self) -> ParticleIndex"""
9661 return _IMP_core._RigidBodyPositionConstraint_get_index(self)
9664 r"""__str__(_RigidBodyPositionConstraint self) -> std::string"""
9665 return _IMP_core._RigidBodyPositionConstraint___str__(self)
9668 r"""__repr__(_RigidBodyPositionConstraint self) -> std::string"""
9669 return _IMP_core._RigidBodyPositionConstraint___repr__(self)
9673 return _object_cast_to__RigidBodyPositionConstraint(o)
9679 def apply_func(jm, index):
9680 body = jm[
'rigid_bodies'].bodies[index]
9684 return body.update_members(jm)
9686 pindex = self.get_index()
9687 rbindex = _jax_rigid._get_rigid_body_index(self.get_model(), pindex)
9688 f = functools.partial(apply_func, index=rbindex)
9689 return self._wrap_jax(f, keys=[
'rigid_bodies'])
9693 _IMP_core._RigidBodyPositionConstraint_swigregister(_RigidBodyPositionConstraint)
9695 r"""Proxy of C++ IMP::core::RigidBodyHierarchyGeometry class."""
9697 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9699 def __init__(self, rb, constituents):
9700 r"""__init__(RigidBodyHierarchyGeometry self, RigidBody rb, IMP::ParticlesTemp const & constituents) -> RigidBodyHierarchyGeometry"""
9701 _IMP_core.RigidBodyHierarchyGeometry_swiginit(self, _IMP_core.new_RigidBodyHierarchyGeometry(rb, constituents))
9703 def get_version_info(self):
9704 r"""get_version_info(RigidBodyHierarchyGeometry self) -> VersionInfo"""
9705 return _IMP_core.RigidBodyHierarchyGeometry_get_version_info(self)
9706 __swig_destroy__ = _IMP_core.delete_RigidBodyHierarchyGeometry
9709 r"""__str__(RigidBodyHierarchyGeometry self) -> std::string"""
9710 return _IMP_core.RigidBodyHierarchyGeometry___str__(self)
9713 r"""__repr__(RigidBodyHierarchyGeometry self) -> std::string"""
9714 return _IMP_core.RigidBodyHierarchyGeometry___repr__(self)
9718 return _object_cast_to_RigidBodyHierarchyGeometry(o)
9722 _IMP_core.RigidBodyHierarchyGeometry_swigregister(RigidBodyHierarchyGeometry)
9724 r"""Proxy of C++ IMP::core::RigidBodyDerivativeGeometry class."""
9726 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9728 def __init__(self, *args):
9730 __init__(RigidBodyDerivativeGeometry self, Particle p) -> RigidBodyDerivativeGeometry
9731 __init__(RigidBodyDerivativeGeometry self, RigidBody d) -> RigidBodyDerivativeGeometry
9733 _IMP_core.RigidBodyDerivativeGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativeGeometry(*args))
9735 def get_version_info(self):
9736 r"""get_version_info(RigidBodyDerivativeGeometry self) -> VersionInfo"""
9737 return _IMP_core.RigidBodyDerivativeGeometry_get_version_info(self)
9738 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativeGeometry
9741 r"""__str__(RigidBodyDerivativeGeometry self) -> std::string"""
9742 return _IMP_core.RigidBodyDerivativeGeometry___str__(self)
9745 r"""__repr__(RigidBodyDerivativeGeometry self) -> std::string"""
9746 return _IMP_core.RigidBodyDerivativeGeometry___repr__(self)
9750 return _object_cast_to_RigidBodyDerivativeGeometry(o)
9754 _IMP_core.RigidBodyDerivativeGeometry_swigregister(RigidBodyDerivativeGeometry)
9756 r"""Proxy of C++ IMP::core::RigidBodyDerivativesGeometry class."""
9758 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9760 def __init__(self, sc):
9761 r"""__init__(RigidBodyDerivativesGeometry self, SingletonContainer sc) -> RigidBodyDerivativesGeometry"""
9762 _IMP_core.RigidBodyDerivativesGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativesGeometry(sc))
9764 def get_version_info(self):
9765 r"""get_version_info(RigidBodyDerivativesGeometry self) -> VersionInfo"""
9766 return _IMP_core.RigidBodyDerivativesGeometry_get_version_info(self)
9767 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativesGeometry
9770 r"""__str__(RigidBodyDerivativesGeometry self) -> std::string"""
9771 return _IMP_core.RigidBodyDerivativesGeometry___str__(self)
9774 r"""__repr__(RigidBodyDerivativesGeometry self) -> std::string"""
9775 return _IMP_core.RigidBodyDerivativesGeometry___repr__(self)
9779 return _object_cast_to_RigidBodyDerivativesGeometry(o)
9783 _IMP_core.RigidBodyDerivativesGeometry_swigregister(RigidBodyDerivativesGeometry)
9785 r"""Proxy of C++ IMP::core::RigidBodyFrameGeometry class."""
9787 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9789 def __init__(self, *args):
9791 __init__(RigidBodyFrameGeometry self, Particle p) -> RigidBodyFrameGeometry
9792 __init__(RigidBodyFrameGeometry self, RigidBody d) -> RigidBodyFrameGeometry
9794 _IMP_core.RigidBodyFrameGeometry_swiginit(self, _IMP_core.new_RigidBodyFrameGeometry(*args))
9796 def get_version_info(self):
9797 r"""get_version_info(RigidBodyFrameGeometry self) -> VersionInfo"""
9798 return _IMP_core.RigidBodyFrameGeometry_get_version_info(self)
9799 __swig_destroy__ = _IMP_core.delete_RigidBodyFrameGeometry
9802 r"""__str__(RigidBodyFrameGeometry self) -> std::string"""
9803 return _IMP_core.RigidBodyFrameGeometry___str__(self)
9806 r"""__repr__(RigidBodyFrameGeometry self) -> std::string"""
9807 return _IMP_core.RigidBodyFrameGeometry___repr__(self)
9811 return _object_cast_to_RigidBodyFrameGeometry(o)
9815 _IMP_core.RigidBodyFrameGeometry_swigregister(RigidBodyFrameGeometry)
9817 r"""Proxy of C++ IMP::core::RigidBodyFramesGeometry class."""
9819 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9821 def __init__(self, sc):
9822 r"""__init__(RigidBodyFramesGeometry self, SingletonContainer sc) -> RigidBodyFramesGeometry"""
9823 _IMP_core.RigidBodyFramesGeometry_swiginit(self, _IMP_core.new_RigidBodyFramesGeometry(sc))
9825 def get_version_info(self):
9826 r"""get_version_info(RigidBodyFramesGeometry self) -> VersionInfo"""
9827 return _IMP_core.RigidBodyFramesGeometry_get_version_info(self)
9828 __swig_destroy__ = _IMP_core.delete_RigidBodyFramesGeometry
9831 r"""__str__(RigidBodyFramesGeometry self) -> std::string"""
9832 return _IMP_core.RigidBodyFramesGeometry___str__(self)
9835 r"""__repr__(RigidBodyFramesGeometry self) -> std::string"""
9836 return _IMP_core.RigidBodyFramesGeometry___repr__(self)
9840 return _object_cast_to_RigidBodyFramesGeometry(o)
9844 _IMP_core.RigidBodyFramesGeometry_swigregister(RigidBodyFramesGeometry)
9846 r"""Proxy of C++ IMP::core::RigidBodyTorque class."""
9848 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9850 def __init__(self, p):
9851 r"""__init__(RigidBodyTorque self, Particle p) -> RigidBodyTorque"""
9852 _IMP_core.RigidBodyTorque_swiginit(self, _IMP_core.new_RigidBodyTorque(p))
9855 r"""__str__(RigidBodyTorque self) -> std::string"""
9856 return _IMP_core.RigidBodyTorque___str__(self)
9859 r"""__repr__(RigidBodyTorque self) -> std::string"""
9860 return _IMP_core.RigidBodyTorque___repr__(self)
9864 return _object_cast_to_RigidBodyTorque(o)
9866 __swig_destroy__ = _IMP_core.delete_RigidBodyTorque
9869 _IMP_core.RigidBodyTorque_swigregister(RigidBodyTorque)
9870 class NearestNeighborsClosePairsFinder(ClosePairsFinder):
9871 r"""Proxy of C++ IMP::core::NearestNeighborsClosePairsFinder class."""
9873 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9876 r"""__init__(NearestNeighborsClosePairsFinder self) -> NearestNeighborsClosePairsFinder"""
9877 _IMP_core.NearestNeighborsClosePairsFinder_swiginit(self, _IMP_core.new_NearestNeighborsClosePairsFinder())
9879 def get_close_pairs(self, *args):
9881 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9882 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9883 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
9884 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
9886 return _IMP_core.NearestNeighborsClosePairsFinder_get_close_pairs(self, *args)
9888 def do_get_inputs(self, m, pis):
9889 r"""do_get_inputs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9890 return _IMP_core.NearestNeighborsClosePairsFinder_do_get_inputs(self, m, pis)
9892 def get_version_info(self):
9893 r"""get_version_info(NearestNeighborsClosePairsFinder self) -> VersionInfo"""
9894 return _IMP_core.NearestNeighborsClosePairsFinder_get_version_info(self)
9895 __swig_destroy__ = _IMP_core.delete_NearestNeighborsClosePairsFinder
9898 r"""__str__(NearestNeighborsClosePairsFinder self) -> std::string"""
9899 return _IMP_core.NearestNeighborsClosePairsFinder___str__(self)
9902 r"""__repr__(NearestNeighborsClosePairsFinder self) -> std::string"""
9903 return _IMP_core.NearestNeighborsClosePairsFinder___repr__(self)
9907 return _object_cast_to_NearestNeighborsClosePairsFinder(o)
9911 _IMP_core.NearestNeighborsClosePairsFinder_swigregister(NearestNeighborsClosePairsFinder)
9913 r"""Proxy of C++ IMP::core::RestraintsScoringFunction class."""
9915 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9917 def __init__(self, *args):
9919 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, double weight=1.0, double max=NO_MAX, std::string name="RestraintsScoringFunction%1%") -> RestraintsScoringFunction
9920 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, std::string name) -> RestraintsScoringFunction
9921 __init__(RestraintsScoringFunction self) -> RestraintsScoringFunction
9923 _IMP_core.RestraintsScoringFunction_swiginit(self, _IMP_core.new_RestraintsScoringFunction(*args))
9925 def do_add_score_and_derivatives(self, sa, ss):
9926 r"""do_add_score_and_derivatives(RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
9927 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives(self, sa, ss)
9929 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
9930 r"""do_add_score_and_derivatives_moved(RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis, IMP::ScoreStatesTemp const & ss)"""
9931 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
9933 def do_get_inputs(self):
9934 r"""do_get_inputs(RestraintsScoringFunction self) -> IMP::ModelObjectsTemp"""
9935 return _IMP_core.RestraintsScoringFunction_do_get_inputs(self)
9937 def get_restraints(self):
9938 r"""get_restraints(RestraintsScoringFunction self) -> IMP::Restraints"""
9939 return _IMP_core.RestraintsScoringFunction_get_restraints(self)
9941 def set_restraints(self, d):
9942 r"""set_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9943 return _IMP_core.RestraintsScoringFunction_set_restraints(self, d)
9945 def get_number_of_restraints(self):
9946 r"""get_number_of_restraints(RestraintsScoringFunction self) -> unsigned int"""
9947 return _IMP_core.RestraintsScoringFunction_get_number_of_restraints(self)
9949 def clear_restraints(self):
9950 r"""clear_restraints(RestraintsScoringFunction self)"""
9951 return _IMP_core.RestraintsScoringFunction_clear_restraints(self)
9953 def get_restraint(self, i):
9954 r"""get_restraint(RestraintsScoringFunction self, unsigned int i) -> Restraint"""
9955 return _IMP_core.RestraintsScoringFunction_get_restraint(self, i)
9957 def erase_restraint(self, i):
9958 r"""erase_restraint(RestraintsScoringFunction self, unsigned int i)"""
9959 return _IMP_core.RestraintsScoringFunction_erase_restraint(self, i)
9962 r"""add_restraint(RestraintsScoringFunction self, Restraint d) -> unsigned int"""
9963 return _IMP_core.RestraintsScoringFunction_add_restraint(self, d)
9966 r"""add_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9967 return _IMP_core.RestraintsScoringFunction_add_restraints(self, d)
9969 def _python_index_restraint(self, r, start, stop):
9970 r"""_python_index_restraint(RestraintsScoringFunction self, Restraint r, unsigned int start, unsigned int stop) -> unsigned int"""
9971 return _IMP_core.RestraintsScoringFunction__python_index_restraint(self, r, start, stop)
9972 def __get_restraints(self):
return IMP._list_util.VarList(getdimfunc=self.get_number_of_restraints, getfunc=self.get_restraint, erasefunc=self.erase_restraint, appendfunc=self.add_restraint, extendfunc=self.add_restraints, clearfunc=self.clear_restraints, indexfunc=self._python_index_restraint)
9973 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
9974 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
9975 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##Restraints")
9977 def get_version_info(self):
9978 r"""get_version_info(RestraintsScoringFunction self) -> VersionInfo"""
9979 return _IMP_core.RestraintsScoringFunction_get_version_info(self)
9980 __swig_destroy__ = _IMP_core.delete_RestraintsScoringFunction
9983 r"""__str__(RestraintsScoringFunction self) -> std::string"""
9984 return _IMP_core.RestraintsScoringFunction___str__(self)
9987 r"""__repr__(RestraintsScoringFunction self) -> std::string"""
9988 return _IMP_core.RestraintsScoringFunction___repr__(self)
9992 return _object_cast_to_RestraintsScoringFunction(o)
9995 def _get_as_binary(self):
9996 r"""_get_as_binary(RestraintsScoringFunction self) -> PyObject *"""
9997 return _IMP_core.RestraintsScoringFunction__get_as_binary(self)
9999 def _set_from_binary(self, p):
10000 r"""_set_from_binary(RestraintsScoringFunction self, PyObject * p)"""
10001 return _IMP_core.RestraintsScoringFunction__set_from_binary(self, p)
10003 def __getstate__(self):
10004 p = self._get_as_binary()
10005 if len(self.__dict__) > 1:
10006 d = self.__dict__.copy()
10011 def __setstate__(self, p):
10012 if not hasattr(self,
'this'):
10014 if isinstance(p, tuple):
10016 self.__dict__.update(d)
10017 return self._set_from_binary(p)
10020 def _get_jax(self, space=None):
10023 jis = [r.get_derived_object()._get_jax(space=space)
10024 for r
in self.restraints]
10025 funcs = [j.score_func
for j
in jis]
10026 keys = frozenset(x
for j
in jis
for x
in j._keys)
10028 return sum(f(jm)
for f
in funcs)
10029 return IMP._jax_util.JAXRestraintInfo(
10030 m=self.get_model(), score_func=jax_sf, weight=1.0, keys=keys)
10034 _IMP_core.RestraintsScoringFunction_swigregister(RestraintsScoringFunction)
10035 class RigidClosePairsFinder(ClosePairsFinder):
10036 r"""Proxy of C++ IMP::core::RigidClosePairsFinder class."""
10038 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10040 def __init__(self, cpf=None):
10041 r"""__init__(RigidClosePairsFinder self, ClosePairsFinder cpf=None) -> RigidClosePairsFinder"""
10042 _IMP_core.RigidClosePairsFinder_swiginit(self, _IMP_core.new_RigidClosePairsFinder(cpf))
10044 def do_get_inputs(self, m, pis):
10045 r"""do_get_inputs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10046 return _IMP_core.RigidClosePairsFinder_do_get_inputs(self, m, pis)
10048 def get_close_pairs(self, *args):
10050 get_close_pairs(RigidClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b, IMP::ParticleIndexes const & pa, IMP::ParticleIndexes const & pb) -> IMP::ParticleIndexPairs
10051 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
10052 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
10053 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
10054 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
10056 return _IMP_core.RigidClosePairsFinder_get_close_pairs(self, *args)
10058 def get_version_info(self):
10059 r"""get_version_info(RigidClosePairsFinder self) -> VersionInfo"""
10060 return _IMP_core.RigidClosePairsFinder_get_version_info(self)
10061 __swig_destroy__ = _IMP_core.delete_RigidClosePairsFinder
10064 r"""__str__(RigidClosePairsFinder self) -> std::string"""
10065 return _IMP_core.RigidClosePairsFinder___str__(self)
10067 def __repr__(self):
10068 r"""__repr__(RigidClosePairsFinder self) -> std::string"""
10069 return _IMP_core.RigidClosePairsFinder___repr__(self)
10073 return _object_cast_to_RigidClosePairsFinder(o)
10076 def _get_as_binary(self):
10077 r"""_get_as_binary(RigidClosePairsFinder self) -> PyObject *"""
10078 return _IMP_core.RigidClosePairsFinder__get_as_binary(self)
10080 def _set_from_binary(self, p):
10081 r"""_set_from_binary(RigidClosePairsFinder self, PyObject * p)"""
10082 return _IMP_core.RigidClosePairsFinder__set_from_binary(self, p)
10084 def __getstate__(self):
10085 p = self._get_as_binary()
10086 if len(self.__dict__) > 1:
10087 d = self.__dict__.copy()
10092 def __setstate__(self, p):
10093 if not hasattr(self,
'this'):
10095 if isinstance(p, tuple):
10097 self.__dict__.update(d)
10098 return self._set_from_binary(p)
10102 _IMP_core.RigidClosePairsFinder_swigregister(RigidClosePairsFinder)
10104 r"""Proxy of C++ IMP::core::SphereDistancePairScore class."""
10106 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10107 __repr__ = _swig_repr
10109 def __init__(self, *args):
10111 SphereDistancePairScore(UnaryFunction uf, std::string name="SphereDistancePairScore%1%") -> _SphereDistancePairScore
10112 __init__(_SphereDistancePairScore self) -> _SphereDistancePairScore
10114 _IMP_core._SphereDistancePairScore_swiginit(self, _IMP_core.new__SphereDistancePairScore(*args))
10116 def do_get_inputs(self, m, pis):
10117 r"""do_get_inputs(_SphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10118 return _IMP_core._SphereDistancePairScore_do_get_inputs(self, m, pis)
10120 def get_score_functor(self, *args):
10122 get_score_functor(_SphereDistancePairScore self) -> _SphereDistanceUF
10123 get_score_functor(_SphereDistancePairScore self) -> _SphereDistanceUF
10125 return _IMP_core._SphereDistancePairScore_get_score_functor(self, *args)
10127 def get_version_info(self):
10128 r"""get_version_info(_SphereDistancePairScore self) -> VersionInfo"""
10129 return _IMP_core._SphereDistancePairScore_get_version_info(self)
10130 __swig_destroy__ = _IMP_core.delete__SphereDistancePairScore
10134 return _object_cast_to__SphereDistancePairScore(o)
10137 def _get_as_binary(self):
10138 r"""_get_as_binary(_SphereDistancePairScore self) -> PyObject *"""
10139 return _IMP_core._SphereDistancePairScore__get_as_binary(self)
10141 def _set_from_binary(self, p):
10142 r"""_set_from_binary(_SphereDistancePairScore self, PyObject * p)"""
10143 return _IMP_core._SphereDistancePairScore__set_from_binary(self, p)
10145 def __getstate__(self):
10146 p = self._get_as_binary()
10147 if len(self.__dict__) > 1:
10148 d = self.__dict__.copy()
10153 def __setstate__(self, p):
10154 if not hasattr(self,
'this'):
10156 if isinstance(p, tuple):
10158 self.__dict__.update(d)
10159 return self._set_from_binary(p)
10162 def _get_jax(self, m, indexes, space):
10163 import jax.numpy
as jnp
10164 def jax_score(jm, uf):
10165 xyzs = jm[
'xyz'][indexes]
10166 rs = jm[
'r'][indexes]
10167 diff = xyzs[:,0] - xyzs[:,1]
10168 drs = space.distance(diff) - rs.sum(axis=1)
10170 sfnc = self.get_score_functor()
10171 uf = sfnc.get_unary_function().get_derived_object()
10172 f = functools.partial(jax_score, uf=uf._get_jax())
10173 return self._wrap_jax(m, f)
10177 _IMP_core._SphereDistancePairScore_swigregister(_SphereDistancePairScore)
10178 class HarmonicUpperBoundSphereDistancePairScore(
IMP.PairScore):
10179 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDistancePairScore class."""
10181 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10183 def __init__(self, *args):
10185 __init__(HarmonicUpperBoundSphereDistancePairScore self, double x0, double k, std::string name="HarmonicUpperBoundSphereDistancePairScore%1%") -> HarmonicUpperBoundSphereDistancePairScore
10186 __init__(HarmonicUpperBoundSphereDistancePairScore self) -> HarmonicUpperBoundSphereDistancePairScore
10188 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDistancePairScore(*args))
10190 def do_get_inputs(self, m, pis):
10191 r"""do_get_inputs(HarmonicUpperBoundSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10192 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_do_get_inputs(self, m, pis)
10194 def get_score_functor(self, *args):
10196 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore
10197 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore const &
10199 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_score_functor(self, *args)
10202 r"""get_x0(HarmonicUpperBoundSphereDistancePairScore self) -> double"""
10203 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_x0(self)
10206 r"""get_k(HarmonicUpperBoundSphereDistancePairScore self) -> double"""
10207 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_k(self)
10209 def get_version_info(self):
10210 r"""get_version_info(HarmonicUpperBoundSphereDistancePairScore self) -> VersionInfo"""
10211 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_version_info(self)
10212 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDistancePairScore
10215 r"""__str__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
10216 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___str__(self)
10218 def __repr__(self):
10219 r"""__repr__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
10220 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___repr__(self)
10224 return _object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o)
10227 def _get_as_binary(self):
10228 r"""_get_as_binary(HarmonicUpperBoundSphereDistancePairScore self) -> PyObject *"""
10229 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__get_as_binary(self)
10231 def _set_from_binary(self, p):
10232 r"""_set_from_binary(HarmonicUpperBoundSphereDistancePairScore self, PyObject * p)"""
10233 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__set_from_binary(self, p)
10235 def __getstate__(self):
10236 p = self._get_as_binary()
10237 if len(self.__dict__) > 1:
10238 d = self.__dict__.copy()
10243 def __setstate__(self, p):
10244 if not hasattr(self,
'this'):
10246 if isinstance(p, tuple):
10248 self.__dict__.update(d)
10249 return self._set_from_binary(p)
10252 def _get_jax(self, m, indexes, space):
10253 import jax.numpy
as jnp
10255 def jax_score(jm, d, k):
10256 xyzs = jm[
'xyz'][indexes]
10257 rs = jm[
'r'][indexes]
10258 diff = xyzs[:,0] - xyzs[:,1]
10259 drs = space.distance(diff) - rs.sum(axis=1)
10260 return 0.5 * k * jax.lax.min(d - drs, 0.0) ** 2
10261 f = functools.partial(jax_score, d=self.get_x0(), k=self.get_k())
10262 return self._wrap_jax(m, f)
10266 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swigregister(HarmonicUpperBoundSphereDistancePairScore)
10267 class HarmonicUpperBoundSphereDiameterPairScore(
IMP.PairScore):
10268 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDiameterPairScore class."""
10270 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10272 def __init__(self, d0, k):
10273 r"""__init__(HarmonicUpperBoundSphereDiameterPairScore self, double d0, double k) -> HarmonicUpperBoundSphereDiameterPairScore"""
10274 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDiameterPairScore(d0, k))
10276 def get_rest_length(self):
10277 r"""get_rest_length(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
10278 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_rest_length(self)
10280 def get_stiffness(self):
10281 r"""get_stiffness(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
10282 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_stiffness(self)
10284 def do_get_inputs(self, m, pis):
10285 r"""do_get_inputs(HarmonicUpperBoundSphereDiameterPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10286 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_do_get_inputs(self, m, pis)
10288 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10289 r"""evaluate_indexes(HarmonicUpperBoundSphereDiameterPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
10290 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10292 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10293 r"""evaluate_indexes_scores(HarmonicUpperBoundSphereDiameterPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
10294 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10296 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10297 r"""evaluate_indexes_delta(HarmonicUpperBoundSphereDiameterPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
10298 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10300 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10301 r"""evaluate_if_good_indexes(HarmonicUpperBoundSphereDiameterPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
10302 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10304 def get_version_info(self):
10305 r"""get_version_info(HarmonicUpperBoundSphereDiameterPairScore self) -> VersionInfo"""
10306 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_version_info(self)
10307 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDiameterPairScore
10310 r"""__str__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
10311 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___str__(self)
10313 def __repr__(self):
10314 r"""__repr__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
10315 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___repr__(self)
10319 return _object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o)
10323 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swigregister(HarmonicUpperBoundSphereDiameterPairScore)
10325 r"""Proxy of C++ IMP::core::HarmonicSphereDistancePairScore class."""
10327 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10329 def __init__(self, *args):
10331 __init__(HarmonicSphereDistancePairScore self, double x0, double k, std::string name="HarmonicSphereDistancePairScore%1%") -> HarmonicSphereDistancePairScore
10332 __init__(HarmonicSphereDistancePairScore self) -> HarmonicSphereDistancePairScore
10334 _IMP_core.HarmonicSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSphereDistancePairScore(*args))
10336 def do_get_inputs(self, m, pis):
10337 r"""do_get_inputs(HarmonicSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10338 return _IMP_core.HarmonicSphereDistancePairScore_do_get_inputs(self, m, pis)
10340 def get_score_functor(self, *args):
10342 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore
10343 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore const &
10345 return _IMP_core.HarmonicSphereDistancePairScore_get_score_functor(self, *args)
10348 r"""get_x0(HarmonicSphereDistancePairScore self) -> double"""
10349 return _IMP_core.HarmonicSphereDistancePairScore_get_x0(self)
10352 r"""get_k(HarmonicSphereDistancePairScore self) -> double"""
10353 return _IMP_core.HarmonicSphereDistancePairScore_get_k(self)
10355 def get_version_info(self):
10356 r"""get_version_info(HarmonicSphereDistancePairScore self) -> VersionInfo"""
10357 return _IMP_core.HarmonicSphereDistancePairScore_get_version_info(self)
10358 __swig_destroy__ = _IMP_core.delete_HarmonicSphereDistancePairScore
10361 r"""__str__(HarmonicSphereDistancePairScore self) -> std::string"""
10362 return _IMP_core.HarmonicSphereDistancePairScore___str__(self)
10364 def __repr__(self):
10365 r"""__repr__(HarmonicSphereDistancePairScore self) -> std::string"""
10366 return _IMP_core.HarmonicSphereDistancePairScore___repr__(self)
10370 return _object_cast_to_HarmonicSphereDistancePairScore(o)
10373 def _get_as_binary(self):
10374 r"""_get_as_binary(HarmonicSphereDistancePairScore self) -> PyObject *"""
10375 return _IMP_core.HarmonicSphereDistancePairScore__get_as_binary(self)
10377 def _set_from_binary(self, p):
10378 r"""_set_from_binary(HarmonicSphereDistancePairScore self, PyObject * p)"""
10379 return _IMP_core.HarmonicSphereDistancePairScore__set_from_binary(self, p)
10381 def __getstate__(self):
10382 p = self._get_as_binary()
10383 if len(self.__dict__) > 1:
10384 d = self.__dict__.copy()
10389 def __setstate__(self, p):
10390 if not hasattr(self,
'this'):
10392 if isinstance(p, tuple):
10394 self.__dict__.update(d)
10395 return self._set_from_binary(p)
10398 def _get_jax(self, m, indexes, space):
10399 import jax.numpy
as jnp
10400 def jax_score(jm, d, k):
10401 xyzs = jm[
'xyz'][indexes]
10402 rs = jm[
'r'][indexes]
10403 diff = xyzs[:,0] - xyzs[:,1]
10404 drs = space.distance(diff) - rs.sum(axis=1)
10405 return 0.5 * k * (d - drs)**2
10406 f = functools.partial(jax_score, d=self.get_x0(), k=self.get_k())
10407 return self._wrap_jax(m, f)
10411 _IMP_core.HarmonicSphereDistancePairScore_swigregister(HarmonicSphereDistancePairScore)
10413 r"""Proxy of C++ IMP::core::NormalizedSphereDistancePairScore class."""
10415 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10417 def __init__(self, *args):
10418 r"""__init__(NormalizedSphereDistancePairScore self, UnaryFunction f, FloatKey radius=IMP::FloatKey("radius")) -> NormalizedSphereDistancePairScore"""
10419 _IMP_core.NormalizedSphereDistancePairScore_swiginit(self, _IMP_core.new_NormalizedSphereDistancePairScore(*args))
10421 def do_get_inputs(self, m, pis):
10422 r"""do_get_inputs(NormalizedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10423 return _IMP_core.NormalizedSphereDistancePairScore_do_get_inputs(self, m, pis)
10425 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10426 r"""evaluate_indexes(NormalizedSphereDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
10427 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10429 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10430 r"""evaluate_indexes_scores(NormalizedSphereDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
10431 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10433 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10434 r"""evaluate_indexes_delta(NormalizedSphereDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
10435 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10437 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10438 r"""evaluate_if_good_indexes(NormalizedSphereDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
10439 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10441 def get_version_info(self):
10442 r"""get_version_info(NormalizedSphereDistancePairScore self) -> VersionInfo"""
10443 return _IMP_core.NormalizedSphereDistancePairScore_get_version_info(self)
10444 __swig_destroy__ = _IMP_core.delete_NormalizedSphereDistancePairScore
10447 r"""__str__(NormalizedSphereDistancePairScore self) -> std::string"""
10448 return _IMP_core.NormalizedSphereDistancePairScore___str__(self)
10450 def __repr__(self):
10451 r"""__repr__(NormalizedSphereDistancePairScore self) -> std::string"""
10452 return _IMP_core.NormalizedSphereDistancePairScore___repr__(self)
10456 return _object_cast_to_NormalizedSphereDistancePairScore(o)
10460 _IMP_core.NormalizedSphereDistancePairScore_swigregister(NormalizedSphereDistancePairScore)
10462 r"""Proxy of C++ IMP::core::WeightedSphereDistancePairScore class."""
10464 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10466 def __init__(self, *args):
10467 r"""__init__(WeightedSphereDistancePairScore self, UnaryFunction f, FloatKey weight, FloatKey radius=IMP::FloatKey("radius")) -> WeightedSphereDistancePairScore"""
10468 _IMP_core.WeightedSphereDistancePairScore_swiginit(self, _IMP_core.new_WeightedSphereDistancePairScore(*args))
10470 def do_get_inputs(self, m, pis):
10471 r"""do_get_inputs(WeightedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10472 return _IMP_core.WeightedSphereDistancePairScore_do_get_inputs(self, m, pis)
10474 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10475 r"""evaluate_indexes(WeightedSphereDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
10476 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10478 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10479 r"""evaluate_indexes_scores(WeightedSphereDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
10480 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10482 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10483 r"""evaluate_indexes_delta(WeightedSphereDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
10484 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10486 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10487 r"""evaluate_if_good_indexes(WeightedSphereDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
10488 return _IMP_core.WeightedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10490 def get_version_info(self):
10491 r"""get_version_info(WeightedSphereDistancePairScore self) -> VersionInfo"""
10492 return _IMP_core.WeightedSphereDistancePairScore_get_version_info(self)
10493 __swig_destroy__ = _IMP_core.delete_WeightedSphereDistancePairScore
10496 r"""__str__(WeightedSphereDistancePairScore self) -> std::string"""
10497 return _IMP_core.WeightedSphereDistancePairScore___str__(self)
10499 def __repr__(self):
10500 r"""__repr__(WeightedSphereDistancePairScore self) -> std::string"""
10501 return _IMP_core.WeightedSphereDistancePairScore___repr__(self)
10505 return _object_cast_to_WeightedSphereDistancePairScore(o)
10509 _IMP_core.WeightedSphereDistancePairScore_swigregister(WeightedSphereDistancePairScore)
10511 r"""Proxy of C++ IMP::core::SoftSpherePairScore class."""
10513 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10515 def __init__(self, *args):
10517 __init__(SoftSpherePairScore self, double k, std::string name="SoftSpherePairScore%1%") -> SoftSpherePairScore
10518 __init__(SoftSpherePairScore self) -> SoftSpherePairScore
10520 _IMP_core.SoftSpherePairScore_swiginit(self, _IMP_core.new_SoftSpherePairScore(*args))
10522 def do_get_inputs(self, m, pis):
10523 r"""do_get_inputs(SoftSpherePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10524 return _IMP_core.SoftSpherePairScore_do_get_inputs(self, m, pis)
10526 def get_score_functor(self, *args):
10528 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore
10529 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore const &
10531 return _IMP_core.SoftSpherePairScore_get_score_functor(self, *args)
10534 r"""get_k(SoftSpherePairScore self) -> double"""
10535 return _IMP_core.SoftSpherePairScore_get_k(self)
10537 def get_version_info(self):
10538 r"""get_version_info(SoftSpherePairScore self) -> VersionInfo"""
10539 return _IMP_core.SoftSpherePairScore_get_version_info(self)
10540 __swig_destroy__ = _IMP_core.delete_SoftSpherePairScore
10543 r"""__str__(SoftSpherePairScore self) -> std::string"""
10544 return _IMP_core.SoftSpherePairScore___str__(self)
10546 def __repr__(self):
10547 r"""__repr__(SoftSpherePairScore self) -> std::string"""
10548 return _IMP_core.SoftSpherePairScore___repr__(self)
10552 return _object_cast_to_SoftSpherePairScore(o)
10555 def _get_as_binary(self):
10556 r"""_get_as_binary(SoftSpherePairScore self) -> PyObject *"""
10557 return _IMP_core.SoftSpherePairScore__get_as_binary(self)
10559 def _set_from_binary(self, p):
10560 r"""_set_from_binary(SoftSpherePairScore self, PyObject * p)"""
10561 return _IMP_core.SoftSpherePairScore__set_from_binary(self, p)
10563 def __getstate__(self):
10564 p = self._get_as_binary()
10565 if len(self.__dict__) > 1:
10566 d = self.__dict__.copy()
10571 def __setstate__(self, p):
10572 if not hasattr(self,
'this'):
10574 if isinstance(p, tuple):
10576 self.__dict__.update(d)
10577 return self._set_from_binary(p)
10580 def _get_jax(self, m, indexes, space):
10581 import jax.numpy
as jnp
10583 def jax_score(jm, k):
10584 xyzs = jm[
'xyz'][indexes]
10585 rs = jm[
'r'][indexes]
10586 diff = xyzs[:,0] - xyzs[:,1]
10587 drs = space.distance(diff) - rs.sum(axis=1)
10588 return 0.5 * k * jax.lax.min(drs, 0.0) ** 2
10589 f = functools.partial(jax_score, k=self.get_k())
10590 return self._wrap_jax(m, f)
10594 _IMP_core.SoftSpherePairScore_swigregister(SoftSpherePairScore)
10596 r"""Proxy of C++ IMP::core::SurfaceDistancePairScore class."""
10598 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10600 def __init__(self, *args):
10601 r"""__init__(SurfaceDistancePairScore self, UnaryFunction uf, std::string name="SurfaceDistancePairScore%1%") -> SurfaceDistancePairScore"""
10602 _IMP_core.SurfaceDistancePairScore_swiginit(self, _IMP_core.new_SurfaceDistancePairScore(*args))
10604 def do_get_inputs(self, m, pis):
10605 r"""do_get_inputs(SurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10606 return _IMP_core.SurfaceDistancePairScore_do_get_inputs(self, m, pis)
10608 def get_version_info(self):
10609 r"""get_version_info(SurfaceDistancePairScore self) -> VersionInfo"""
10610 return _IMP_core.SurfaceDistancePairScore_get_version_info(self)
10611 __swig_destroy__ = _IMP_core.delete_SurfaceDistancePairScore
10614 r"""__str__(SurfaceDistancePairScore self) -> std::string"""
10615 return _IMP_core.SurfaceDistancePairScore___str__(self)
10617 def __repr__(self):
10618 r"""__repr__(SurfaceDistancePairScore self) -> std::string"""
10619 return _IMP_core.SurfaceDistancePairScore___repr__(self)
10623 return _object_cast_to_SurfaceDistancePairScore(o)
10627 _IMP_core.SurfaceDistancePairScore_swigregister(SurfaceDistancePairScore)
10629 r"""Proxy of C++ IMP::core::SurfaceHeightPairScore class."""
10631 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10633 def __init__(self, *args):
10634 r"""__init__(SurfaceHeightPairScore self, UnaryFunction uf, std::string name="SurfaceHeightPairScore%1%") -> SurfaceHeightPairScore"""
10635 _IMP_core.SurfaceHeightPairScore_swiginit(self, _IMP_core.new_SurfaceHeightPairScore(*args))
10637 def do_get_inputs(self, m, pis):
10638 r"""do_get_inputs(SurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10639 return _IMP_core.SurfaceHeightPairScore_do_get_inputs(self, m, pis)
10641 def get_version_info(self):
10642 r"""get_version_info(SurfaceHeightPairScore self) -> VersionInfo"""
10643 return _IMP_core.SurfaceHeightPairScore_get_version_info(self)
10644 __swig_destroy__ = _IMP_core.delete_SurfaceHeightPairScore
10647 r"""__str__(SurfaceHeightPairScore self) -> std::string"""
10648 return _IMP_core.SurfaceHeightPairScore___str__(self)
10650 def __repr__(self):
10651 r"""__repr__(SurfaceHeightPairScore self) -> std::string"""
10652 return _IMP_core.SurfaceHeightPairScore___repr__(self)
10656 return _object_cast_to_SurfaceHeightPairScore(o)
10660 _IMP_core.SurfaceHeightPairScore_swigregister(SurfaceHeightPairScore)
10662 r"""Proxy of C++ IMP::core::SurfaceDepthPairScore class."""
10664 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10666 def __init__(self, *args):
10667 r"""__init__(SurfaceDepthPairScore self, UnaryFunction uf, std::string name="SurfaceDepthPairScore%1%") -> SurfaceDepthPairScore"""
10668 _IMP_core.SurfaceDepthPairScore_swiginit(self, _IMP_core.new_SurfaceDepthPairScore(*args))
10670 def do_get_inputs(self, m, pis):
10671 r"""do_get_inputs(SurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10672 return _IMP_core.SurfaceDepthPairScore_do_get_inputs(self, m, pis)
10674 def get_version_info(self):
10675 r"""get_version_info(SurfaceDepthPairScore self) -> VersionInfo"""
10676 return _IMP_core.SurfaceDepthPairScore_get_version_info(self)
10677 __swig_destroy__ = _IMP_core.delete_SurfaceDepthPairScore
10680 r"""__str__(SurfaceDepthPairScore self) -> std::string"""
10681 return _IMP_core.SurfaceDepthPairScore___str__(self)
10683 def __repr__(self):
10684 r"""__repr__(SurfaceDepthPairScore self) -> std::string"""
10685 return _IMP_core.SurfaceDepthPairScore___repr__(self)
10689 return _object_cast_to_SurfaceDepthPairScore(o)
10693 _IMP_core.SurfaceDepthPairScore_swigregister(SurfaceDepthPairScore)
10695 r"""Proxy of C++ IMP::core::HarmonicSurfaceDistancePairScore class."""
10697 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10699 def __init__(self, *args):
10700 r"""__init__(HarmonicSurfaceDistancePairScore self, double x0, double k, std::string name="HarmonicSurfaceDistancePairScore%1%") -> HarmonicSurfaceDistancePairScore"""
10701 _IMP_core.HarmonicSurfaceDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDistancePairScore(*args))
10703 def do_get_inputs(self, m, pis):
10704 r"""do_get_inputs(HarmonicSurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10705 return _IMP_core.HarmonicSurfaceDistancePairScore_do_get_inputs(self, m, pis)
10707 def get_version_info(self):
10708 r"""get_version_info(HarmonicSurfaceDistancePairScore self) -> VersionInfo"""
10709 return _IMP_core.HarmonicSurfaceDistancePairScore_get_version_info(self)
10710 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDistancePairScore
10713 r"""__str__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10714 return _IMP_core.HarmonicSurfaceDistancePairScore___str__(self)
10716 def __repr__(self):
10717 r"""__repr__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10718 return _IMP_core.HarmonicSurfaceDistancePairScore___repr__(self)
10722 return _object_cast_to_HarmonicSurfaceDistancePairScore(o)
10726 _IMP_core.HarmonicSurfaceDistancePairScore_swigregister(HarmonicSurfaceDistancePairScore)
10728 r"""Proxy of C++ IMP::core::HarmonicSurfaceHeightPairScore class."""
10730 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10732 def __init__(self, *args):
10733 r"""__init__(HarmonicSurfaceHeightPairScore self, double x0, double k, std::string name="HarmonicSurfaceHeightPairScore%1%") -> HarmonicSurfaceHeightPairScore"""
10734 _IMP_core.HarmonicSurfaceHeightPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceHeightPairScore(*args))
10736 def do_get_inputs(self, m, pis):
10737 r"""do_get_inputs(HarmonicSurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10738 return _IMP_core.HarmonicSurfaceHeightPairScore_do_get_inputs(self, m, pis)
10740 def get_version_info(self):
10741 r"""get_version_info(HarmonicSurfaceHeightPairScore self) -> VersionInfo"""
10742 return _IMP_core.HarmonicSurfaceHeightPairScore_get_version_info(self)
10743 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceHeightPairScore
10746 r"""__str__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10747 return _IMP_core.HarmonicSurfaceHeightPairScore___str__(self)
10749 def __repr__(self):
10750 r"""__repr__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10751 return _IMP_core.HarmonicSurfaceHeightPairScore___repr__(self)
10755 return _object_cast_to_HarmonicSurfaceHeightPairScore(o)
10759 _IMP_core.HarmonicSurfaceHeightPairScore_swigregister(HarmonicSurfaceHeightPairScore)
10761 r"""Proxy of C++ IMP::core::HarmonicSurfaceDepthPairScore class."""
10763 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10765 def __init__(self, *args):
10766 r"""__init__(HarmonicSurfaceDepthPairScore self, double x0, double k, std::string name="HarmonicSurfaceDepthPairScore%1%") -> HarmonicSurfaceDepthPairScore"""
10767 _IMP_core.HarmonicSurfaceDepthPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDepthPairScore(*args))
10769 def do_get_inputs(self, m, pis):
10770 r"""do_get_inputs(HarmonicSurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10771 return _IMP_core.HarmonicSurfaceDepthPairScore_do_get_inputs(self, m, pis)
10773 def get_version_info(self):
10774 r"""get_version_info(HarmonicSurfaceDepthPairScore self) -> VersionInfo"""
10775 return _IMP_core.HarmonicSurfaceDepthPairScore_get_version_info(self)
10776 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDepthPairScore
10779 r"""__str__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10780 return _IMP_core.HarmonicSurfaceDepthPairScore___str__(self)
10782 def __repr__(self):
10783 r"""__repr__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10784 return _IMP_core.HarmonicSurfaceDepthPairScore___repr__(self)
10788 return _object_cast_to_HarmonicSurfaceDepthPairScore(o)
10792 _IMP_core.HarmonicSurfaceDepthPairScore_swigregister(HarmonicSurfaceDepthPairScore)
10794 r"""Proxy of C++ IMP::core::SoftSuperSurfacePairScore class."""
10796 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10798 def __init__(self, *args):
10799 r"""__init__(SoftSuperSurfacePairScore self, double k, std::string name="SoftSuperSurfacePairScore%1%") -> SoftSuperSurfacePairScore"""
10800 _IMP_core.SoftSuperSurfacePairScore_swiginit(self, _IMP_core.new_SoftSuperSurfacePairScore(*args))
10802 def do_get_inputs(self, m, pis):
10803 r"""do_get_inputs(SoftSuperSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10804 return _IMP_core.SoftSuperSurfacePairScore_do_get_inputs(self, m, pis)
10806 def get_version_info(self):
10807 r"""get_version_info(SoftSuperSurfacePairScore self) -> VersionInfo"""
10808 return _IMP_core.SoftSuperSurfacePairScore_get_version_info(self)
10809 __swig_destroy__ = _IMP_core.delete_SoftSuperSurfacePairScore
10812 r"""__str__(SoftSuperSurfacePairScore self) -> std::string"""
10813 return _IMP_core.SoftSuperSurfacePairScore___str__(self)
10815 def __repr__(self):
10816 r"""__repr__(SoftSuperSurfacePairScore self) -> std::string"""
10817 return _IMP_core.SoftSuperSurfacePairScore___repr__(self)
10821 return _object_cast_to_SoftSuperSurfacePairScore(o)
10825 _IMP_core.SoftSuperSurfacePairScore_swigregister(SoftSuperSurfacePairScore)
10827 r"""Proxy of C++ IMP::core::SoftSubSurfacePairScore class."""
10829 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10831 def __init__(self, *args):
10832 r"""__init__(SoftSubSurfacePairScore self, double k, std::string name="SoftSubSurfacePairScore%1%") -> SoftSubSurfacePairScore"""
10833 _IMP_core.SoftSubSurfacePairScore_swiginit(self, _IMP_core.new_SoftSubSurfacePairScore(*args))
10835 def do_get_inputs(self, m, pis):
10836 r"""do_get_inputs(SoftSubSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10837 return _IMP_core.SoftSubSurfacePairScore_do_get_inputs(self, m, pis)
10839 def get_version_info(self):
10840 r"""get_version_info(SoftSubSurfacePairScore self) -> VersionInfo"""
10841 return _IMP_core.SoftSubSurfacePairScore_get_version_info(self)
10842 __swig_destroy__ = _IMP_core.delete_SoftSubSurfacePairScore
10845 r"""__str__(SoftSubSurfacePairScore self) -> std::string"""
10846 return _IMP_core.SoftSubSurfacePairScore___str__(self)
10848 def __repr__(self):
10849 r"""__repr__(SoftSubSurfacePairScore self) -> std::string"""
10850 return _IMP_core.SoftSubSurfacePairScore___repr__(self)
10854 return _object_cast_to_SoftSubSurfacePairScore(o)
10858 _IMP_core.SoftSubSurfacePairScore_swigregister(SoftSubSurfacePairScore)
10860 r"""Proxy of C++ IMP::core::SurfaceTetheredChain class."""
10862 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10864 def __init__(self, link_num, link_length):
10865 r"""__init__(SurfaceTetheredChain self, int link_num, double link_length) -> SurfaceTetheredChain"""
10866 _IMP_core.SurfaceTetheredChain_swiginit(self, _IMP_core.new_SurfaceTetheredChain(link_num, link_length))
10868 def get_version_info(self):
10869 r"""get_version_info(SurfaceTetheredChain self) -> VersionInfo"""
10870 return _IMP_core.SurfaceTetheredChain_get_version_info(self)
10871 __swig_destroy__ = _IMP_core.delete_SurfaceTetheredChain
10873 def get_link_number(self):
10874 r"""get_link_number(SurfaceTetheredChain self) -> int"""
10875 return _IMP_core.SurfaceTetheredChain_get_link_number(self)
10877 def get_link_length(self):
10878 r"""get_link_length(SurfaceTetheredChain self) -> double"""
10879 return _IMP_core.SurfaceTetheredChain_get_link_length(self)
10881 def set_link_number(self, N):
10882 r"""set_link_number(SurfaceTetheredChain self, int N)"""
10883 return _IMP_core.SurfaceTetheredChain_set_link_number(self, N)
10885 def set_link_length(self, b):
10886 r"""set_link_length(SurfaceTetheredChain self, double b)"""
10887 return _IMP_core.SurfaceTetheredChain_set_link_length(self, b)
10889 def get_distance_at_minimum(self):
10890 r"""get_distance_at_minimum(SurfaceTetheredChain self) -> double"""
10891 return _IMP_core.SurfaceTetheredChain_get_distance_at_minimum(self)
10893 def get_average_distance(self):
10894 r"""get_average_distance(SurfaceTetheredChain self) -> double"""
10895 return _IMP_core.SurfaceTetheredChain_get_average_distance(self)
10898 r"""__str__(SurfaceTetheredChain self) -> std::string"""
10899 return _IMP_core.SurfaceTetheredChain___str__(self)
10901 def __repr__(self):
10902 r"""__repr__(SurfaceTetheredChain self) -> std::string"""
10903 return _IMP_core.SurfaceTetheredChain___repr__(self)
10907 return _object_cast_to_SurfaceTetheredChain(o)
10911 _IMP_core.SurfaceTetheredChain_swigregister(SurfaceTetheredChain)
10913 r"""Proxy of C++ IMP::core::SurfaceSymmetryConstraint class."""
10915 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10917 def __init__(self, m, ss, rbs):
10918 r"""__init__(SurfaceSymmetryConstraint self, Model m, IMP::ParticleIndexPair const & ss, IMP::ParticleIndexPair const & rbs) -> SurfaceSymmetryConstraint"""
10919 _IMP_core.SurfaceSymmetryConstraint_swiginit(self, _IMP_core.new_SurfaceSymmetryConstraint(m, ss, rbs))
10921 def do_get_inputs(self):
10922 r"""do_get_inputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10923 return _IMP_core.SurfaceSymmetryConstraint_do_get_inputs(self)
10925 def do_get_outputs(self):
10926 r"""do_get_outputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10927 return _IMP_core.SurfaceSymmetryConstraint_do_get_outputs(self)
10929 def get_version_info(self):
10930 r"""get_version_info(SurfaceSymmetryConstraint self) -> VersionInfo"""
10931 return _IMP_core.SurfaceSymmetryConstraint_get_version_info(self)
10932 __swig_destroy__ = _IMP_core.delete_SurfaceSymmetryConstraint
10935 r"""__str__(SurfaceSymmetryConstraint self) -> std::string"""
10936 return _IMP_core.SurfaceSymmetryConstraint___str__(self)
10938 def __repr__(self):
10939 r"""__repr__(SurfaceSymmetryConstraint self) -> std::string"""
10940 return _IMP_core.SurfaceSymmetryConstraint___repr__(self)
10944 return _object_cast_to_SurfaceSymmetryConstraint(o)
10948 _IMP_core.SurfaceSymmetryConstraint_swigregister(SurfaceSymmetryConstraint)
10950 r"""Proxy of C++ IMP::core::SteepestDescent class."""
10952 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10954 def __init__(self, *args):
10955 r"""__init__(SteepestDescent self, Model m, std::string name="SteepestDescent%1%") -> SteepestDescent"""
10956 _IMP_core.SteepestDescent_swiginit(self, _IMP_core.new_SteepestDescent(*args))
10958 def do_optimize(self, max_steps):
10959 r"""do_optimize(SteepestDescent self, unsigned int max_steps) -> IMP::Float"""
10960 return _IMP_core.SteepestDescent_do_optimize(self, max_steps)
10962 def get_version_info(self):
10963 r"""get_version_info(SteepestDescent self) -> VersionInfo"""
10964 return _IMP_core.SteepestDescent_get_version_info(self)
10965 __swig_destroy__ = _IMP_core.delete_SteepestDescent
10967 def set_threshold(self, t):
10968 r"""set_threshold(SteepestDescent self, IMP::Float t)"""
10969 return _IMP_core.SteepestDescent_set_threshold(self, t)
10971 def set_step_size(self, t):
10972 r"""set_step_size(SteepestDescent self, IMP::Float t)"""
10973 return _IMP_core.SteepestDescent_set_step_size(self, t)
10975 def set_maximum_step_size(self, t):
10976 r"""set_maximum_step_size(SteepestDescent self, IMP::Float t)"""
10977 return _IMP_core.SteepestDescent_set_maximum_step_size(self, t)
10980 r"""__str__(SteepestDescent self) -> std::string"""
10981 return _IMP_core.SteepestDescent___str__(self)
10983 def __repr__(self):
10984 r"""__repr__(SteepestDescent self) -> std::string"""
10985 return _IMP_core.SteepestDescent___repr__(self)
10989 return _object_cast_to_SteepestDescent(o)
10993 _IMP_core.SteepestDescent_swigregister(SteepestDescent)
10995 r"""Proxy of C++ IMP::core::TransformedDistancePairScore class."""
10997 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10999 def __init__(self, f, transformation):
11000 r"""__init__(TransformedDistancePairScore self, UnaryFunction f, Transformation3D transformation) -> TransformedDistancePairScore"""
11001 _IMP_core.TransformedDistancePairScore_swiginit(self, _IMP_core.new_TransformedDistancePairScore(f, transformation))
11003 def set_transformation(self, rot):
11004 r"""set_transformation(TransformedDistancePairScore self, Transformation3D rot)"""
11005 return _IMP_core.TransformedDistancePairScore_set_transformation(self, rot)
11007 def do_get_inputs(self, m, pis):
11008 r"""do_get_inputs(TransformedDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
11009 return _IMP_core.TransformedDistancePairScore_do_get_inputs(self, m, pis)
11011 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
11012 r"""evaluate_indexes(TransformedDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
11013 return _IMP_core.TransformedDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
11015 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
11016 r"""evaluate_indexes_scores(TransformedDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
11017 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
11019 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
11020 r"""evaluate_indexes_delta(TransformedDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
11021 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
11023 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
11024 r"""evaluate_if_good_indexes(TransformedDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
11025 return _IMP_core.TransformedDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
11027 def get_version_info(self):
11028 r"""get_version_info(TransformedDistancePairScore self) -> VersionInfo"""
11029 return _IMP_core.TransformedDistancePairScore_get_version_info(self)
11030 __swig_destroy__ = _IMP_core.delete_TransformedDistancePairScore
11033 r"""__str__(TransformedDistancePairScore self) -> std::string"""
11034 return _IMP_core.TransformedDistancePairScore___str__(self)
11036 def __repr__(self):
11037 r"""__repr__(TransformedDistancePairScore self) -> std::string"""
11038 return _IMP_core.TransformedDistancePairScore___repr__(self)
11042 return _object_cast_to_TransformedDistancePairScore(o)
11046 _IMP_core.TransformedDistancePairScore_swigregister(TransformedDistancePairScore)
11048 r"""Proxy of C++ IMP::core::TypedPairScore class."""
11050 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11052 def __init__(self, typekey, allow_invalid_types=True):
11053 r"""__init__(TypedPairScore self, IntKey typekey, bool allow_invalid_types=True) -> TypedPairScore"""
11054 _IMP_core.TypedPairScore_swiginit(self, _IMP_core.new_TypedPairScore(typekey, allow_invalid_types))
11056 def set_particle_type(self, arg2):
11057 r"""set_particle_type(TypedPairScore self, Particle arg2)"""
11058 return _IMP_core.TypedPairScore_set_particle_type(self, arg2)
11060 def set_pair_score(self, ps, atype, btype):
11061 r"""set_pair_score(TypedPairScore self, PairScore ps, IMP::Int atype, IMP::Int btype)"""
11062 return _IMP_core.TypedPairScore_set_pair_score(self, ps, atype, btype)
11064 def do_get_inputs(self, m, pis):
11065 r"""do_get_inputs(TypedPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
11066 return _IMP_core.TypedPairScore_do_get_inputs(self, m, pis)
11068 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
11069 r"""evaluate_indexes(TypedPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
11070 return _IMP_core.TypedPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
11072 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
11073 r"""evaluate_indexes_scores(TypedPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
11074 return _IMP_core.TypedPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
11076 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
11077 r"""evaluate_indexes_delta(TypedPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
11078 return _IMP_core.TypedPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
11080 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
11081 r"""evaluate_if_good_indexes(TypedPairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
11082 return _IMP_core.TypedPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
11084 def get_version_info(self):
11085 r"""get_version_info(TypedPairScore self) -> VersionInfo"""
11086 return _IMP_core.TypedPairScore_get_version_info(self)
11087 __swig_destroy__ = _IMP_core.delete_TypedPairScore
11090 r"""__str__(TypedPairScore self) -> std::string"""
11091 return _IMP_core.TypedPairScore___str__(self)
11093 def __repr__(self):
11094 r"""__repr__(TypedPairScore self) -> std::string"""
11095 return _IMP_core.TypedPairScore___repr__(self)
11099 return _object_cast_to_TypedPairScore(o)
11103 _IMP_core.TypedPairScore_swigregister(TypedPairScore)
11104 class RigidBodyDistancePairScore(KClosePairsPairScore):
11105 r"""Proxy of C++ IMP::core::RigidBodyDistancePairScore class."""
11107 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11109 def __init__(self, ps, r):
11110 r"""__init__(RigidBodyDistancePairScore self, PairScore ps, Refiner r) -> RigidBodyDistancePairScore"""
11111 _IMP_core.RigidBodyDistancePairScore_swiginit(self, _IMP_core.new_RigidBodyDistancePairScore(ps, r))
11114 r"""__str__(RigidBodyDistancePairScore self) -> std::string"""
11115 return _IMP_core.RigidBodyDistancePairScore___str__(self)
11117 def __repr__(self):
11118 r"""__repr__(RigidBodyDistancePairScore self) -> std::string"""
11119 return _IMP_core.RigidBodyDistancePairScore___repr__(self)
11123 return _object_cast_to_RigidBodyDistancePairScore(o)
11125 __swig_destroy__ = _IMP_core.delete_RigidBodyDistancePairScore
11128 _IMP_core.RigidBodyDistancePairScore_swigregister(RigidBodyDistancePairScore)
11130 r"""Proxy of C++ IMP::core::RigidBodyAnglePairScore class."""
11132 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11134 def __init__(self, f):
11135 r"""__init__(RigidBodyAnglePairScore self, UnaryFunction f) -> RigidBodyAnglePairScore"""
11136 _IMP_core.RigidBodyAnglePairScore_swiginit(self, _IMP_core.new_RigidBodyAnglePairScore(f))
11138 def do_get_inputs(self, m, pis):
11139 r"""do_get_inputs(RigidBodyAnglePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
11140 return _IMP_core.RigidBodyAnglePairScore_do_get_inputs(self, m, pis)
11142 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
11143 r"""evaluate_indexes(RigidBodyAnglePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
11144 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
11146 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
11147 r"""evaluate_indexes_scores(RigidBodyAnglePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
11148 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
11150 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
11151 r"""evaluate_indexes_delta(RigidBodyAnglePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
11152 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
11154 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
11155 r"""evaluate_if_good_indexes(RigidBodyAnglePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
11156 return _IMP_core.RigidBodyAnglePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
11158 def get_version_info(self):
11159 r"""get_version_info(RigidBodyAnglePairScore self) -> VersionInfo"""
11160 return _IMP_core.RigidBodyAnglePairScore_get_version_info(self)
11161 __swig_destroy__ = _IMP_core.delete_RigidBodyAnglePairScore
11164 r"""__str__(RigidBodyAnglePairScore self) -> std::string"""
11165 return _IMP_core.RigidBodyAnglePairScore___str__(self)
11167 def __repr__(self):
11168 r"""__repr__(RigidBodyAnglePairScore self) -> std::string"""
11169 return _IMP_core.RigidBodyAnglePairScore___repr__(self)
11173 return _object_cast_to_RigidBodyAnglePairScore(o)
11177 _IMP_core.RigidBodyAnglePairScore_swigregister(RigidBodyAnglePairScore)
11179 r"""Proxy of C++ IMP::core::TableRefiner class."""
11181 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11183 def __init__(self):
11184 r"""__init__(TableRefiner self) -> TableRefiner"""
11185 _IMP_core.TableRefiner_swiginit(self, _IMP_core.new_TableRefiner())
11188 r"""add_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
11189 return _IMP_core.TableRefiner_add_particle(self, p, ps)
11191 def remove_particle(self, p):
11192 r"""remove_particle(TableRefiner self, Particle p)"""
11193 return _IMP_core.TableRefiner_remove_particle(self, p)
11195 def set_particle(self, p, ps):
11196 r"""set_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
11197 return _IMP_core.TableRefiner_set_particle(self, p, ps)
11199 def do_get_inputs(self, m, pis):
11200 r"""do_get_inputs(TableRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
11201 return _IMP_core.TableRefiner_do_get_inputs(self, m, pis)
11203 def get_version_info(self):
11204 r"""get_version_info(TableRefiner self) -> VersionInfo"""
11205 return _IMP_core.TableRefiner_get_version_info(self)
11206 __swig_destroy__ = _IMP_core.delete_TableRefiner
11209 r"""__str__(TableRefiner self) -> std::string"""
11210 return _IMP_core.TableRefiner___str__(self)
11212 def __repr__(self):
11213 r"""__repr__(TableRefiner self) -> std::string"""
11214 return _IMP_core.TableRefiner___repr__(self)
11218 return _object_cast_to_TableRefiner(o)
11222 _IMP_core.TableRefiner_swigregister(TableRefiner)
11223 LOWER = _IMP_core.LOWER
11225 BOTH = _IMP_core.BOTH
11227 UPPER = _IMP_core.UPPER
11230 r"""Proxy of C++ IMP::core::MCCGSampler class."""
11232 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11234 def __init__(self, *args):
11235 r"""__init__(MCCGSampler self, Model m, std::string name="MCCG Sampler %1%") -> MCCGSampler"""
11236 _IMP_core.MCCGSampler_swiginit(self, _IMP_core.new_MCCGSampler(*args))
11238 def set_bounding_box(self, bb):
11239 r"""set_bounding_box(MCCGSampler self, BoundingBox3D bb)"""
11240 return _IMP_core.MCCGSampler_set_bounding_box(self, bb)
11242 def set_number_of_attempts(self, att):
11243 r"""set_number_of_attempts(MCCGSampler self, unsigned int att)"""
11244 return _IMP_core.MCCGSampler_set_number_of_attempts(self, att)
11246 def set_number_of_monte_carlo_steps(self, cg):
11247 r"""set_number_of_monte_carlo_steps(MCCGSampler self, unsigned int cg)"""
11248 return _IMP_core.MCCGSampler_set_number_of_monte_carlo_steps(self, cg)
11250 def set_number_of_conjugate_gradient_steps(self, cg):
11251 r"""set_number_of_conjugate_gradient_steps(MCCGSampler self, unsigned int cg)"""
11252 return _IMP_core.MCCGSampler_set_number_of_conjugate_gradient_steps(self, cg)
11254 def set_max_monte_carlo_step_size(self, *args):
11256 set_max_monte_carlo_step_size(MCCGSampler self, double d)
11257 set_max_monte_carlo_step_size(MCCGSampler self, FloatKey k, double d)
11259 return _IMP_core.MCCGSampler_set_max_monte_carlo_step_size(self, *args)
11261 def set_is_refining(self, tf):
11262 r"""set_is_refining(MCCGSampler self, bool tf)"""
11263 return _IMP_core.MCCGSampler_set_is_refining(self, tf)
11265 def set_local_optimizer(self, opt):
11266 r"""set_local_optimizer(MCCGSampler self, Optimizer opt)"""
11267 return _IMP_core.MCCGSampler_set_local_optimizer(self, opt)
11269 def set_save_rejected_configurations(self, tf):
11270 r"""set_save_rejected_configurations(MCCGSampler self, bool tf)"""
11271 return _IMP_core.MCCGSampler_set_save_rejected_configurations(self, tf)
11273 def get_rejected_configurations(self):
11274 r"""get_rejected_configurations(MCCGSampler self) -> ConfigurationSet"""
11275 return _IMP_core.MCCGSampler_get_rejected_configurations(self)
11276 def __get_optimizer_states(self):
return IMP._list_util.VarList(getdimfunc=self.get_number_of_optimizer_states, getfunc=self.get_optimizer_state, erasefunc=self.erase_optimizer_state, appendfunc=self.add_optimizer_state, extendfunc=self.add_optimizer_states, clearfunc=self.clear_optimizer_states, indexfunc=self._python_index_optimizer_state)
11277 def __set_optimizer_states(self, obj): IMP._list_util.set_varlist(self.optimizer_states, obj)
11278 def __del_optimizer_states(self): IMP._list_util.del_varlist(self.optimizer_states)
11279 optimizer_states = property(__get_optimizer_states, __set_optimizer_states, __del_optimizer_states, doc=
"List of ##ucnames")
11281 def remove_optimizer_state(self, d):
11282 r"""remove_optimizer_state(MCCGSampler self, OptimizerState d)"""
11283 return _IMP_core.MCCGSampler_remove_optimizer_state(self, d)
11285 def _python_index_optimizer_state(self, d, start, stop):
11286 r"""_python_index_optimizer_state(MCCGSampler self, OptimizerState d, unsigned int start, unsigned int stop) -> unsigned int"""
11287 return _IMP_core.MCCGSampler__python_index_optimizer_state(self, d, start, stop)
11289 def remove_optimizer_states(self, d):
11290 r"""remove_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & d)"""
11291 return _IMP_core.MCCGSampler_remove_optimizer_states(self, d)
11293 def set_optimizer_states(self, ps):
11294 r"""set_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & ps)"""
11295 return _IMP_core.MCCGSampler_set_optimizer_states(self, ps)
11297 def set_optimizer_states_order(self, objs):
11298 r"""set_optimizer_states_order(MCCGSampler self, IMP::OptimizerStates const & objs)"""
11299 return _IMP_core.MCCGSampler_set_optimizer_states_order(self, objs)
11301 def add_optimizer_state(self, obj):
11302 r"""add_optimizer_state(MCCGSampler self, OptimizerState obj) -> unsigned int"""
11303 return _IMP_core.MCCGSampler_add_optimizer_state(self, obj)
11305 def add_optimizer_states(self, objs):
11306 r"""add_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & objs)"""
11307 return _IMP_core.MCCGSampler_add_optimizer_states(self, objs)
11309 def clear_optimizer_states(self):
11310 r"""clear_optimizer_states(MCCGSampler self)"""
11311 return _IMP_core.MCCGSampler_clear_optimizer_states(self)
11313 def get_number_of_optimizer_states(self):
11314 r"""get_number_of_optimizer_states(MCCGSampler self) -> unsigned int"""
11315 return _IMP_core.MCCGSampler_get_number_of_optimizer_states(self)
11317 def get_has_optimizer_states(self):
11318 r"""get_has_optimizer_states(MCCGSampler self) -> bool"""
11319 return _IMP_core.MCCGSampler_get_has_optimizer_states(self)
11321 def get_optimizer_state(self, i):
11322 r"""get_optimizer_state(MCCGSampler self, unsigned int i) -> OptimizerState"""
11323 return _IMP_core.MCCGSampler_get_optimizer_state(self, i)
11325 def get_optimizer_states(self):
11326 r"""get_optimizer_states(MCCGSampler self) -> IMP::OptimizerStates"""
11327 return _IMP_core.MCCGSampler_get_optimizer_states(self)
11329 def erase_optimizer_state(self, i):
11330 r"""erase_optimizer_state(MCCGSampler self, unsigned int i)"""
11331 return _IMP_core.MCCGSampler_erase_optimizer_state(self, i)
11333 def reserve_optimizer_states(self, sz):
11334 r"""reserve_optimizer_states(MCCGSampler self, unsigned int sz)"""
11335 return _IMP_core.MCCGSampler_reserve_optimizer_states(self, sz)
11337 def do_sample(self):
11338 r"""do_sample(MCCGSampler self) -> ConfigurationSet"""
11339 return _IMP_core.MCCGSampler_do_sample(self)
11341 def get_version_info(self):
11342 r"""get_version_info(MCCGSampler self) -> VersionInfo"""
11343 return _IMP_core.MCCGSampler_get_version_info(self)
11344 __swig_destroy__ = _IMP_core.delete_MCCGSampler
11347 r"""__str__(MCCGSampler self) -> std::string"""
11348 return _IMP_core.MCCGSampler___str__(self)
11350 def __repr__(self):
11351 r"""__repr__(MCCGSampler self) -> std::string"""
11352 return _IMP_core.MCCGSampler___repr__(self)
11356 return _object_cast_to_MCCGSampler(o)
11360 _IMP_core.MCCGSampler_swigregister(MCCGSampler)
11362 r"""Proxy of C++ IMP::core::MinimumRestraint class."""
11364 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11366 def __init__(self, *args):
11367 r"""__init__(MinimumRestraint self, unsigned int num, IMP::Restraints const & rs=IMP::Restraints(), std::string name="MinimumRestraint %1%") -> MinimumRestraint"""
11368 _IMP_core.MinimumRestraint_swiginit(self, _IMP_core.new_MinimumRestraint(*args))
11370 def do_get_inputs(self):
11371 r"""do_get_inputs(MinimumRestraint self) -> IMP::ModelObjectsTemp"""
11372 return _IMP_core.MinimumRestraint_do_get_inputs(self)
11374 def get_version_info(self):
11375 r"""get_version_info(MinimumRestraint self) -> VersionInfo"""
11376 return _IMP_core.MinimumRestraint_get_version_info(self)
11377 __swig_destroy__ = _IMP_core.delete_MinimumRestraint
11378 def __get_restraints(self):
return IMP._list_util.VarList(getdimfunc=self.get_number_of_restraints, getfunc=self.get_restraint, erasefunc=self.erase_restraint, appendfunc=self.add_restraint, extendfunc=self.add_restraints, clearfunc=self.clear_restraints, indexfunc=self._python_index_restraint)
11379 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
11380 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
11381 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##ucnames")
11383 def remove_restraint(self, d):
11384 r"""remove_restraint(MinimumRestraint self, Restraint d)"""
11385 return _IMP_core.MinimumRestraint_remove_restraint(self, d)
11387 def _python_index_restraint(self, d, start, stop):
11388 r"""_python_index_restraint(MinimumRestraint self, Restraint d, unsigned int start, unsigned int stop) -> unsigned int"""
11389 return _IMP_core.MinimumRestraint__python_index_restraint(self, d, start, stop)
11391 def remove_restraints(self, d):
11392 r"""remove_restraints(MinimumRestraint self, IMP::Restraints const & d)"""
11393 return _IMP_core.MinimumRestraint_remove_restraints(self, d)
11395 def set_restraints(self, ps):
11396 r"""set_restraints(MinimumRestraint self, IMP::Restraints const & ps)"""
11397 return _IMP_core.MinimumRestraint_set_restraints(self, ps)
11399 def set_restraints_order(self, objs):
11400 r"""set_restraints_order(MinimumRestraint self, IMP::Restraints const & objs)"""
11401 return _IMP_core.MinimumRestraint_set_restraints_order(self, objs)
11404 r"""add_restraint(MinimumRestraint self, Restraint obj) -> unsigned int"""
11405 return _IMP_core.MinimumRestraint_add_restraint(self, obj)
11408 r"""add_restraints(MinimumRestraint self, IMP::Restraints const & objs)"""
11409 return _IMP_core.MinimumRestraint_add_restraints(self, objs)
11411 def clear_restraints(self):
11412 r"""clear_restraints(MinimumRestraint self)"""
11413 return _IMP_core.MinimumRestraint_clear_restraints(self)
11415 def get_number_of_restraints(self):
11416 r"""get_number_of_restraints(MinimumRestraint self) -> unsigned int"""
11417 return _IMP_core.MinimumRestraint_get_number_of_restraints(self)
11419 def get_has_restraints(self):
11420 r"""get_has_restraints(MinimumRestraint self) -> bool"""
11421 return _IMP_core.MinimumRestraint_get_has_restraints(self)
11423 def get_restraint(self, i):
11424 r"""get_restraint(MinimumRestraint self, unsigned int i) -> Restraint"""
11425 return _IMP_core.MinimumRestraint_get_restraint(self, i)
11427 def get_restraints(self):
11428 r"""get_restraints(MinimumRestraint self) -> IMP::Restraints"""
11429 return _IMP_core.MinimumRestraint_get_restraints(self)
11431 def erase_restraint(self, i):
11432 r"""erase_restraint(MinimumRestraint self, unsigned int i)"""
11433 return _IMP_core.MinimumRestraint_erase_restraint(self, i)
11435 def reserve_restraints(self, sz):
11436 r"""reserve_restraints(MinimumRestraint self, unsigned int sz)"""
11437 return _IMP_core.MinimumRestraint_reserve_restraints(self, sz)
11440 r"""__str__(MinimumRestraint self) -> std::string"""
11441 return _IMP_core.MinimumRestraint___str__(self)
11443 def __repr__(self):
11444 r"""__repr__(MinimumRestraint self) -> std::string"""
11445 return _IMP_core.MinimumRestraint___repr__(self)
11449 return _object_cast_to_MinimumRestraint(o)
11453 _IMP_core.MinimumRestraint_swigregister(MinimumRestraint)
11454 class Gaussian(RigidBody):
11455 r"""Proxy of C++ IMP::core::Gaussian class."""
11457 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11459 def __init__(self, *args):
11461 __init__(Gaussian self) -> Gaussian
11462 __init__(Gaussian self, Model m, ParticleIndex id) -> Gaussian
11463 __init__(Gaussian self, _ParticleAdaptor d) -> Gaussian
11465 _IMP_core.Gaussian_swiginit(self, _IMP_core.new_Gaussian(*args))
11467 def show(self, *args):
11468 r"""show(Gaussian self, _ostream out=std::cout)"""
11469 return _IMP_core.Gaussian_show(self, *args)
11472 def setup_particle(*args):
11474 setup_particle(Model m, ParticleIndex pi) -> Gaussian
11475 setup_particle(_ParticleAdaptor pa) -> Gaussian
11476 setup_particle(Model m, ParticleIndex pi, Gaussian3D g) -> Gaussian
11477 setup_particle(_ParticleAdaptor pa, Gaussian3D g) -> Gaussian
11479 return _IMP_core.Gaussian_setup_particle(*args)
11482 def get_local_covariance_key():
11483 r"""get_local_covariance_key() -> ObjectKey"""
11484 return _IMP_core.Gaussian_get_local_covariance_key()
11487 def get_global_covariance_key():
11488 r"""get_global_covariance_key() -> ObjectKey"""
11489 return _IMP_core.Gaussian_get_global_covariance_key()
11492 def get_is_setup(*args):
11494 get_is_setup(_ParticleAdaptor p) -> bool
11495 get_is_setup(Model m, ParticleIndex pi) -> bool
11497 return _IMP_core.Gaussian_get_is_setup(*args)
11499 def get_local_covariance(self):
11500 r"""get_local_covariance(Gaussian self) -> Eigen::Matrix3d"""
11501 return _IMP_core.Gaussian_get_local_covariance(self)
11503 def get_variances(self):
11504 r"""get_variances(Gaussian self) -> Vector3D"""
11505 return _IMP_core.Gaussian_get_variances(self)
11507 def get_global_covariance(self):
11508 r"""get_global_covariance(Gaussian self) -> Eigen::Matrix3d"""
11509 return _IMP_core.Gaussian_get_global_covariance(self)
11511 def get_gaussian(self):
11512 r"""get_gaussian(Gaussian self) -> Gaussian3D"""
11513 return _IMP_core.Gaussian_get_gaussian(self)
11515 def set_gaussian(self, g):
11516 r"""set_gaussian(Gaussian self, Gaussian3D g)"""
11517 return _IMP_core.Gaussian_set_gaussian(self, g)
11519 def set_local_covariance(self, covar):
11520 r"""set_local_covariance(Gaussian self, Eigen::Vector3d const covar)"""
11521 return _IMP_core.Gaussian_set_local_covariance(self, covar)
11523 def set_variances(self, v):
11524 r"""set_variances(Gaussian self, Vector3D v)"""
11525 return _IMP_core.Gaussian_set_variances(self, v)
11527 def set_global_covariance(self, covar):
11528 r"""set_global_covariance(Gaussian self, Eigen::Matrix3d covar)"""
11529 return _IMP_core.Gaussian_set_global_covariance(self, covar)
11531 def update_global_covariance(self):
11532 r"""update_global_covariance(Gaussian self)"""
11533 return _IMP_core.Gaussian_update_global_covariance(self)
11535 def add_attribute(self, *args):
11537 add_attribute(Gaussian self, FloatKey k, IMP::Float v, bool opt)
11538 add_attribute(Gaussian self, FloatKey a0, IMP::Float a1)
11539 add_attribute(Gaussian self, IntKey a0, IMP::Int a1)
11540 add_attribute(Gaussian self, FloatsKey a0, IMP::Floats a1)
11541 add_attribute(Gaussian self, IntsKey a0, IMP::Ints a1)
11542 add_attribute(Gaussian self, StringKey a0, IMP::String a1)
11543 add_attribute(Gaussian self, ParticleIndexKey a0, Particle a1)
11544 add_attribute(Gaussian self, ObjectKey a0, Object a1)
11545 add_attribute(Gaussian self, SparseFloatKey a0, IMP::Float a1)
11546 add_attribute(Gaussian self, SparseIntKey a0, IMP::Int a1)
11547 add_attribute(Gaussian self, SparseStringKey a0, IMP::String a1)
11548 add_attribute(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
11550 return _IMP_core.Gaussian_add_attribute(self, *args)
11552 def get_value(self, *args):
11554 get_value(Gaussian self, FloatKey a0) -> IMP::Float
11555 get_value(Gaussian self, IntKey a0) -> IMP::Int
11556 get_value(Gaussian self, FloatsKey a0) -> IMP::Floats
11557 get_value(Gaussian self, IntsKey a0) -> IMP::Ints
11558 get_value(Gaussian self, StringKey a0) -> IMP::String
11559 get_value(Gaussian self, ParticleIndexKey a0) -> Particle
11560 get_value(Gaussian self, ObjectKey a0) -> Object
11561 get_value(Gaussian self, SparseFloatKey a0) -> IMP::Float
11562 get_value(Gaussian self, SparseIntKey a0) -> IMP::Int
11563 get_value(Gaussian self, SparseStringKey a0) -> IMP::String
11564 get_value(Gaussian self, SparseParticleIndexKey a0) -> ParticleIndex
11566 return _IMP_core.Gaussian_get_value(self, *args)
11568 def set_value(self, *args):
11570 set_value(Gaussian self, FloatKey a0, IMP::Float a1)
11571 set_value(Gaussian self, IntKey a0, IMP::Int a1)
11572 set_value(Gaussian self, FloatsKey a0, IMP::Floats a1)
11573 set_value(Gaussian self, IntsKey a0, IMP::Ints a1)
11574 set_value(Gaussian self, StringKey a0, IMP::String a1)
11575 set_value(Gaussian self, ParticleIndexKey a0, Particle a1)
11576 set_value(Gaussian self, ObjectKey a0, Object a1)
11577 set_value(Gaussian self, SparseFloatKey a0, IMP::Float a1)
11578 set_value(Gaussian self, SparseIntKey a0, IMP::Int a1)
11579 set_value(Gaussian self, SparseStringKey a0, IMP::String a1)
11580 set_value(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
11582 return _IMP_core.Gaussian_set_value(self, *args)
11584 def remove_attribute(self, *args):
11586 remove_attribute(Gaussian self, FloatKey a0)
11587 remove_attribute(Gaussian self, IntKey a0)
11588 remove_attribute(Gaussian self, FloatsKey a0)
11589 remove_attribute(Gaussian self, IntsKey a0)
11590 remove_attribute(Gaussian self, StringKey a0)
11591 remove_attribute(Gaussian self, ParticleIndexKey a0)
11592 remove_attribute(Gaussian self, ObjectKey a0)
11593 remove_attribute(Gaussian self, SparseFloatKey a0)
11594 remove_attribute(Gaussian self, SparseIntKey a0)
11595 remove_attribute(Gaussian self, SparseStringKey a0)
11596 remove_attribute(Gaussian self, SparseParticleIndexKey a0)
11598 return _IMP_core.Gaussian_remove_attribute(self, *args)
11600 def has_attribute(self, *args):
11602 has_attribute(Gaussian self, FloatKey a0) -> bool
11603 has_attribute(Gaussian self, IntKey a0) -> bool
11604 has_attribute(Gaussian self, FloatsKey a0) -> bool
11605 has_attribute(Gaussian self, IntsKey a0) -> bool
11606 has_attribute(Gaussian self, StringKey a0) -> bool
11607 has_attribute(Gaussian self, ParticleIndexKey a0) -> bool
11608 has_attribute(Gaussian self, ObjectKey a0) -> bool
11609 has_attribute(Gaussian self, SparseFloatKey a0) -> bool
11610 has_attribute(Gaussian self, SparseIntKey a0) -> bool
11611 has_attribute(Gaussian self, SparseStringKey a0) -> bool
11612 has_attribute(Gaussian self, SparseParticleIndexKey a0) -> bool
11614 return _IMP_core.Gaussian_has_attribute(self, *args)
11616 def get_derivative(self, a0):
11617 r"""get_derivative(Gaussian self, FloatKey a0) -> double"""
11618 return _IMP_core.Gaussian_get_derivative(self, a0)
11620 def get_name(self):
11621 r"""get_name(Gaussian self) -> std::string"""
11622 return _IMP_core.Gaussian_get_name(self)
11624 def clear_caches(self):
11625 r"""clear_caches(Gaussian self)"""
11626 return _IMP_core.Gaussian_clear_caches(self)
11628 def set_name(self, a0):
11629 r"""set_name(Gaussian self, std::string a0)"""
11630 return _IMP_core.Gaussian_set_name(self, a0)
11633 r"""set_check_level(Gaussian self, IMP::CheckLevel a0)"""
11634 return _IMP_core.Gaussian_set_check_level(self, a0)
11636 def add_to_derivative(self, a0, a1, a2):
11637 r"""add_to_derivative(Gaussian self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
11638 return _IMP_core.Gaussian_add_to_derivative(self, a0, a1, a2)
11640 def set_is_optimized(self, a0, a1):
11641 r"""set_is_optimized(Gaussian self, FloatKey a0, bool a1)"""
11642 return _IMP_core.Gaussian_set_is_optimized(self, a0, a1)
11644 def get_is_optimized(self, a0):
11645 r"""get_is_optimized(Gaussian self, FloatKey a0) -> bool"""
11646 return _IMP_core.Gaussian_get_is_optimized(self, a0)
11649 r"""get_check_level(Gaussian self) -> IMP::CheckLevel"""
11650 return _IMP_core.Gaussian_get_check_level(self)
11652 def __eq__(self, *args):
11654 __eq__(Gaussian self, Gaussian o) -> bool
11655 __eq__(Gaussian self, Particle d) -> bool
11657 return _IMP_core.Gaussian___eq__(self, *args)
11659 def __ne__(self, *args):
11661 __ne__(Gaussian self, Gaussian o) -> bool
11662 __ne__(Gaussian self, Particle d) -> bool
11664 return _IMP_core.Gaussian___ne__(self, *args)
11666 def __le__(self, *args):
11668 __le__(Gaussian self, Gaussian o) -> bool
11669 __le__(Gaussian self, Particle d) -> bool
11671 return _IMP_core.Gaussian___le__(self, *args)
11673 def __lt__(self, *args):
11675 __lt__(Gaussian self, Gaussian o) -> bool
11676 __lt__(Gaussian self, Particle d) -> bool
11678 return _IMP_core.Gaussian___lt__(self, *args)
11680 def __ge__(self, *args):
11682 __ge__(Gaussian self, Gaussian o) -> bool
11683 __ge__(Gaussian self, Particle d) -> bool
11685 return _IMP_core.Gaussian___ge__(self, *args)
11687 def __gt__(self, *args):
11689 __gt__(Gaussian self, Gaussian o) -> bool
11690 __gt__(Gaussian self, Particle d) -> bool
11692 return _IMP_core.Gaussian___gt__(self, *args)
11694 def __hash__(self):
11695 r"""__hash__(Gaussian self) -> std::size_t"""
11696 return _IMP_core.Gaussian___hash__(self)
11699 r"""__str__(Gaussian self) -> std::string"""
11700 return _IMP_core.Gaussian___str__(self)
11702 def __repr__(self):
11703 r"""__repr__(Gaussian self) -> std::string"""
11704 return _IMP_core.Gaussian___repr__(self)
11706 def _get_as_binary(self):
11707 r"""_get_as_binary(Gaussian self) -> PyObject *"""
11708 return _IMP_core.Gaussian__get_as_binary(self)
11710 def _set_from_binary(self, p):
11711 r"""_set_from_binary(Gaussian self, PyObject * p)"""
11712 return _IMP_core.Gaussian__set_from_binary(self, p)
11714 def __getstate__(self):
11715 p = self._get_as_binary()
11716 if len(self.__dict__) > 1:
11717 d = self.__dict__.copy()
11722 def __setstate__(self, p):
11723 if not hasattr(self,
'this'):
11725 if isinstance(p, tuple):
11727 self.__dict__.update(d)
11728 return self._set_from_binary(p)
11730 __swig_destroy__ = _IMP_core.delete_Gaussian
11733 _IMP_core.Gaussian_swigregister(Gaussian)
11735 r"""Proxy of C++ IMP::core::PairRestraint class."""
11737 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11739 def __init__(self, *args):
11741 __init__(PairRestraint self, Model m, PairScore ss, IMP::ParticleIndexPair const & vt, std::string name="PairRestraint %1%") -> PairRestraint
11742 __init__(PairRestraint self) -> PairRestraint
11744 _IMP_core.PairRestraint_swiginit(self, _IMP_core.new_PairRestraint(*args))
11746 def get_score_object(self):
11747 r"""get_score_object(PairRestraint self) -> PairScore"""
11748 return _IMP_core.PairRestraint_get_score_object(self)
11751 r"""get_index(PairRestraint self) -> IMP::PairScore::IndexArgument"""
11752 return _IMP_core.PairRestraint_get_index(self)
11754 def get_version_info(self):
11755 r"""get_version_info(PairRestraint self) -> VersionInfo"""
11756 return _IMP_core.PairRestraint_get_version_info(self)
11757 __swig_destroy__ = _IMP_core.delete_PairRestraint
11760 r"""__str__(PairRestraint self) -> std::string"""
11761 return _IMP_core.PairRestraint___str__(self)
11763 def __repr__(self):
11764 r"""__repr__(PairRestraint self) -> std::string"""
11765 return _IMP_core.PairRestraint___repr__(self)
11769 return _object_cast_to_PairRestraint(o)
11772 def _get_as_binary(self):
11773 r"""_get_as_binary(PairRestraint self) -> PyObject *"""
11774 return _IMP_core.PairRestraint__get_as_binary(self)
11776 def _set_from_binary(self, p):
11777 r"""_set_from_binary(PairRestraint self, PyObject * p)"""
11778 return _IMP_core.PairRestraint__set_from_binary(self, p)
11780 def __getstate__(self):
11781 p = self._get_as_binary()
11782 if len(self.__dict__) > 1:
11783 d = self.__dict__.copy()
11788 def __setstate__(self, p):
11789 if not hasattr(self,
'this'):
11791 if isinstance(p, tuple):
11793 self.__dict__.update(d)
11794 return self._set_from_binary(p)
11797 def _get_jax(self, space):
11798 from .
import _jax_util
11799 return _jax_util._get_jax_restraint(self, space)
11803 _IMP_core.PairRestraint_swigregister(PairRestraint)
11805 r"""Proxy of C++ IMP::core::SingletonRestraint class."""
11807 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11809 def __init__(self, *args):
11811 __init__(SingletonRestraint self, Model m, SingletonScore ss, ParticleIndex vt, std::string name="SingletonRestraint %1%") -> SingletonRestraint
11812 __init__(SingletonRestraint self) -> SingletonRestraint
11814 _IMP_core.SingletonRestraint_swiginit(self, _IMP_core.new_SingletonRestraint(*args))
11816 def get_score_object(self):
11817 r"""get_score_object(SingletonRestraint self) -> SingletonScore"""
11818 return _IMP_core.SingletonRestraint_get_score_object(self)
11821 r"""get_index(SingletonRestraint self) -> ParticleIndex"""
11822 return _IMP_core.SingletonRestraint_get_index(self)
11824 def get_version_info(self):
11825 r"""get_version_info(SingletonRestraint self) -> VersionInfo"""
11826 return _IMP_core.SingletonRestraint_get_version_info(self)
11827 __swig_destroy__ = _IMP_core.delete_SingletonRestraint
11830 r"""__str__(SingletonRestraint self) -> std::string"""
11831 return _IMP_core.SingletonRestraint___str__(self)
11833 def __repr__(self):
11834 r"""__repr__(SingletonRestraint self) -> std::string"""
11835 return _IMP_core.SingletonRestraint___repr__(self)
11839 return _object_cast_to_SingletonRestraint(o)
11842 def _get_as_binary(self):
11843 r"""_get_as_binary(SingletonRestraint self) -> PyObject *"""
11844 return _IMP_core.SingletonRestraint__get_as_binary(self)
11846 def _set_from_binary(self, p):
11847 r"""_set_from_binary(SingletonRestraint self, PyObject * p)"""
11848 return _IMP_core.SingletonRestraint__set_from_binary(self, p)
11850 def __getstate__(self):
11851 p = self._get_as_binary()
11852 if len(self.__dict__) > 1:
11853 d = self.__dict__.copy()
11858 def __setstate__(self, p):
11859 if not hasattr(self,
'this'):
11861 if isinstance(p, tuple):
11863 self.__dict__.update(d)
11864 return self._set_from_binary(p)
11867 def _get_jax(self, space):
11868 from .
import _jax_util
11869 return _jax_util._get_jax_restraint(self, space)
11873 _IMP_core.SingletonRestraint_swigregister(SingletonRestraint)
11875 r"""Proxy of C++ IMP::core::TripletRestraint class."""
11877 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11879 def __init__(self, *args):
11881 __init__(TripletRestraint self, Model m, TripletScore ss, IMP::ParticleIndexTriplet const & vt, std::string name="TripletRestraint %1%") -> TripletRestraint
11882 __init__(TripletRestraint self) -> TripletRestraint
11884 _IMP_core.TripletRestraint_swiginit(self, _IMP_core.new_TripletRestraint(*args))
11886 def get_score_object(self):
11887 r"""get_score_object(TripletRestraint self) -> TripletScore"""
11888 return _IMP_core.TripletRestraint_get_score_object(self)
11891 r"""get_index(TripletRestraint self) -> IMP::TripletScore::IndexArgument"""
11892 return _IMP_core.TripletRestraint_get_index(self)
11894 def get_version_info(self):
11895 r"""get_version_info(TripletRestraint self) -> VersionInfo"""
11896 return _IMP_core.TripletRestraint_get_version_info(self)
11897 __swig_destroy__ = _IMP_core.delete_TripletRestraint
11900 r"""__str__(TripletRestraint self) -> std::string"""
11901 return _IMP_core.TripletRestraint___str__(self)
11903 def __repr__(self):
11904 r"""__repr__(TripletRestraint self) -> std::string"""
11905 return _IMP_core.TripletRestraint___repr__(self)
11909 return _object_cast_to_TripletRestraint(o)
11912 def _get_as_binary(self):
11913 r"""_get_as_binary(TripletRestraint self) -> PyObject *"""
11914 return _IMP_core.TripletRestraint__get_as_binary(self)
11916 def _set_from_binary(self, p):
11917 r"""_set_from_binary(TripletRestraint self, PyObject * p)"""
11918 return _IMP_core.TripletRestraint__set_from_binary(self, p)
11920 def __getstate__(self):
11921 p = self._get_as_binary()
11922 if len(self.__dict__) > 1:
11923 d = self.__dict__.copy()
11928 def __setstate__(self, p):
11929 if not hasattr(self,
'this'):
11931 if isinstance(p, tuple):
11933 self.__dict__.update(d)
11934 return self._set_from_binary(p)
11938 _IMP_core.TripletRestraint_swigregister(TripletRestraint)
11940 r"""Proxy of C++ IMP::core::QuadRestraint class."""
11942 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11944 def __init__(self, *args):
11946 __init__(QuadRestraint self, Model m, QuadScore ss, IMP::ParticleIndexQuad const & vt, std::string name="QuadRestraint %1%") -> QuadRestraint
11947 __init__(QuadRestraint self) -> QuadRestraint
11949 _IMP_core.QuadRestraint_swiginit(self, _IMP_core.new_QuadRestraint(*args))
11951 def get_score_object(self):
11952 r"""get_score_object(QuadRestraint self) -> QuadScore"""
11953 return _IMP_core.QuadRestraint_get_score_object(self)
11956 r"""get_index(QuadRestraint self) -> IMP::QuadScore::IndexArgument"""
11957 return _IMP_core.QuadRestraint_get_index(self)
11959 def get_version_info(self):
11960 r"""get_version_info(QuadRestraint self) -> VersionInfo"""
11961 return _IMP_core.QuadRestraint_get_version_info(self)
11962 __swig_destroy__ = _IMP_core.delete_QuadRestraint
11965 r"""__str__(QuadRestraint self) -> std::string"""
11966 return _IMP_core.QuadRestraint___str__(self)
11968 def __repr__(self):
11969 r"""__repr__(QuadRestraint self) -> std::string"""
11970 return _IMP_core.QuadRestraint___repr__(self)
11974 return _object_cast_to_QuadRestraint(o)
11977 def _get_as_binary(self):
11978 r"""_get_as_binary(QuadRestraint self) -> PyObject *"""
11979 return _IMP_core.QuadRestraint__get_as_binary(self)
11981 def _set_from_binary(self, p):
11982 r"""_set_from_binary(QuadRestraint self, PyObject * p)"""
11983 return _IMP_core.QuadRestraint__set_from_binary(self, p)
11985 def __getstate__(self):
11986 p = self._get_as_binary()
11987 if len(self.__dict__) > 1:
11988 d = self.__dict__.copy()
11993 def __setstate__(self, p):
11994 if not hasattr(self,
'this'):
11996 if isinstance(p, tuple):
11998 self.__dict__.update(d)
11999 return self._set_from_binary(p)
12003 _IMP_core.QuadRestraint_swigregister(QuadRestraint)
12005 r"""Proxy of C++ IMP::core::SingletonConstraint class."""
12007 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12009 def __init__(self, *args):
12011 __init__(SingletonConstraint self, SingletonModifier before, SingletonModifier after, Model m, ParticleIndex vt, std::string name="SingletonConstraint %1%", bool can_skip=False) -> SingletonConstraint
12012 __init__(SingletonConstraint self) -> SingletonConstraint
12014 _IMP_core.SingletonConstraint_swiginit(self, _IMP_core.new_SingletonConstraint(*args))
12016 def get_before_modifier(self):
12017 r"""get_before_modifier(SingletonConstraint self) -> SingletonModifier"""
12018 return _IMP_core.SingletonConstraint_get_before_modifier(self)
12021 r"""get_index(SingletonConstraint self) -> ParticleIndex"""
12022 return _IMP_core.SingletonConstraint_get_index(self)
12024 def get_version_info(self):
12025 r"""get_version_info(SingletonConstraint self) -> VersionInfo"""
12026 return _IMP_core.SingletonConstraint_get_version_info(self)
12027 __swig_destroy__ = _IMP_core.delete_SingletonConstraint
12030 r"""__str__(SingletonConstraint self) -> std::string"""
12031 return _IMP_core.SingletonConstraint___str__(self)
12033 def __repr__(self):
12034 r"""__repr__(SingletonConstraint self) -> std::string"""
12035 return _IMP_core.SingletonConstraint___repr__(self)
12039 return _object_cast_to_SingletonConstraint(o)
12042 def _get_as_binary(self):
12043 r"""_get_as_binary(SingletonConstraint self) -> PyObject *"""
12044 return _IMP_core.SingletonConstraint__get_as_binary(self)
12046 def _set_from_binary(self, p):
12047 r"""_set_from_binary(SingletonConstraint self, PyObject * p)"""
12048 return _IMP_core.SingletonConstraint__set_from_binary(self, p)
12050 def __getstate__(self):
12051 p = self._get_as_binary()
12052 if len(self.__dict__) > 1:
12053 d = self.__dict__.copy()
12058 def __setstate__(self, p):
12059 if not hasattr(self,
'this'):
12061 if isinstance(p, tuple):
12063 self.__dict__.update(d)
12064 return self._set_from_binary(p)
12067 def _get_jax(self):
12068 import jax.numpy
as jnp
12069 indexes = jnp.array([self.get_index()])
12070 mod = self.get_before_modifier().get_derived_object()
12071 ji = mod._get_jax(self.get_model(), indexes)
12072 return self._wrap_jax(ji.apply_func, keys=ji._keys)
12076 _IMP_core.SingletonConstraint_swigregister(SingletonConstraint)
12078 r"""Proxy of C++ IMP::core::PairConstraint class."""
12080 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12082 def __init__(self, *args):
12084 __init__(PairConstraint self, PairModifier before, PairModifier after, Model m, IMP::ParticleIndexPair const & vt, std::string name="PairConstraint %1%", bool can_skip=False) -> PairConstraint
12085 __init__(PairConstraint self) -> PairConstraint
12087 _IMP_core.PairConstraint_swiginit(self, _IMP_core.new_PairConstraint(*args))
12089 def get_before_modifier(self):
12090 r"""get_before_modifier(PairConstraint self) -> PairModifier"""
12091 return _IMP_core.PairConstraint_get_before_modifier(self)
12094 r"""get_index(PairConstraint self) -> IMP::PairModifier::IndexArgument"""
12095 return _IMP_core.PairConstraint_get_index(self)
12097 def get_version_info(self):
12098 r"""get_version_info(PairConstraint self) -> VersionInfo"""
12099 return _IMP_core.PairConstraint_get_version_info(self)
12100 __swig_destroy__ = _IMP_core.delete_PairConstraint
12103 r"""__str__(PairConstraint self) -> std::string"""
12104 return _IMP_core.PairConstraint___str__(self)
12106 def __repr__(self):
12107 r"""__repr__(PairConstraint self) -> std::string"""
12108 return _IMP_core.PairConstraint___repr__(self)
12112 return _object_cast_to_PairConstraint(o)
12115 def _get_as_binary(self):
12116 r"""_get_as_binary(PairConstraint self) -> PyObject *"""
12117 return _IMP_core.PairConstraint__get_as_binary(self)
12119 def _set_from_binary(self, p):
12120 r"""_set_from_binary(PairConstraint self, PyObject * p)"""
12121 return _IMP_core.PairConstraint__set_from_binary(self, p)
12123 def __getstate__(self):
12124 p = self._get_as_binary()
12125 if len(self.__dict__) > 1:
12126 d = self.__dict__.copy()
12131 def __setstate__(self, p):
12132 if not hasattr(self,
'this'):
12134 if isinstance(p, tuple):
12136 self.__dict__.update(d)
12137 return self._set_from_binary(p)
12141 _IMP_core.PairConstraint_swigregister(PairConstraint)
12143 r"""Proxy of C++ IMP::core::TripletConstraint class."""
12145 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12147 def __init__(self, *args):
12149 __init__(TripletConstraint self, TripletModifier before, TripletModifier after, Model m, IMP::ParticleIndexTriplet const & vt, std::string name="TripletConstraint %1%", bool can_skip=False) -> TripletConstraint
12150 __init__(TripletConstraint self) -> TripletConstraint
12152 _IMP_core.TripletConstraint_swiginit(self, _IMP_core.new_TripletConstraint(*args))
12154 def get_before_modifier(self):
12155 r"""get_before_modifier(TripletConstraint self) -> TripletModifier"""
12156 return _IMP_core.TripletConstraint_get_before_modifier(self)
12159 r"""get_index(TripletConstraint self) -> IMP::TripletModifier::IndexArgument"""
12160 return _IMP_core.TripletConstraint_get_index(self)
12162 def get_version_info(self):
12163 r"""get_version_info(TripletConstraint self) -> VersionInfo"""
12164 return _IMP_core.TripletConstraint_get_version_info(self)
12165 __swig_destroy__ = _IMP_core.delete_TripletConstraint
12168 r"""__str__(TripletConstraint self) -> std::string"""
12169 return _IMP_core.TripletConstraint___str__(self)
12171 def __repr__(self):
12172 r"""__repr__(TripletConstraint self) -> std::string"""
12173 return _IMP_core.TripletConstraint___repr__(self)
12177 return _object_cast_to_TripletConstraint(o)
12180 def _get_as_binary(self):
12181 r"""_get_as_binary(TripletConstraint self) -> PyObject *"""
12182 return _IMP_core.TripletConstraint__get_as_binary(self)
12184 def _set_from_binary(self, p):
12185 r"""_set_from_binary(TripletConstraint self, PyObject * p)"""
12186 return _IMP_core.TripletConstraint__set_from_binary(self, p)
12188 def __getstate__(self):
12189 p = self._get_as_binary()
12190 if len(self.__dict__) > 1:
12191 d = self.__dict__.copy()
12196 def __setstate__(self, p):
12197 if not hasattr(self,
'this'):
12199 if isinstance(p, tuple):
12201 self.__dict__.update(d)
12202 return self._set_from_binary(p)
12206 _IMP_core.TripletConstraint_swigregister(TripletConstraint)
12208 r"""Proxy of C++ IMP::core::QuadConstraint class."""
12210 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12212 def __init__(self, *args):
12214 __init__(QuadConstraint self, QuadModifier before, QuadModifier after, Model m, IMP::ParticleIndexQuad const & vt, std::string name="QuadConstraint %1%", bool can_skip=False) -> QuadConstraint
12215 __init__(QuadConstraint self) -> QuadConstraint
12217 _IMP_core.QuadConstraint_swiginit(self, _IMP_core.new_QuadConstraint(*args))
12219 def get_before_modifier(self):
12220 r"""get_before_modifier(QuadConstraint self) -> QuadModifier"""
12221 return _IMP_core.QuadConstraint_get_before_modifier(self)
12224 r"""get_index(QuadConstraint self) -> IMP::QuadModifier::IndexArgument"""
12225 return _IMP_core.QuadConstraint_get_index(self)
12227 def get_version_info(self):
12228 r"""get_version_info(QuadConstraint self) -> VersionInfo"""
12229 return _IMP_core.QuadConstraint_get_version_info(self)
12230 __swig_destroy__ = _IMP_core.delete_QuadConstraint
12233 r"""__str__(QuadConstraint self) -> std::string"""
12234 return _IMP_core.QuadConstraint___str__(self)
12236 def __repr__(self):
12237 r"""__repr__(QuadConstraint self) -> std::string"""
12238 return _IMP_core.QuadConstraint___repr__(self)
12242 return _object_cast_to_QuadConstraint(o)
12245 def _get_as_binary(self):
12246 r"""_get_as_binary(QuadConstraint self) -> PyObject *"""
12247 return _IMP_core.QuadConstraint__get_as_binary(self)
12249 def _set_from_binary(self, p):
12250 r"""_set_from_binary(QuadConstraint self, PyObject * p)"""
12251 return _IMP_core.QuadConstraint__set_from_binary(self, p)
12253 def __getstate__(self):
12254 p = self._get_as_binary()
12255 if len(self.__dict__) > 1:
12256 d = self.__dict__.copy()
12261 def __setstate__(self, p):
12262 if not hasattr(self,
'this'):
12264 if isinstance(p, tuple):
12266 self.__dict__.update(d)
12267 return self._set_from_binary(p)
12271 _IMP_core.QuadConstraint_swigregister(QuadConstraint)
12273 r"""Proxy of C++ IMP::core::ConstantSingletonPredicate class."""
12275 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12277 def __init__(self, *args):
12279 __init__(ConstantSingletonPredicate self, int v, std::string name="ConstSingletonPredicate%1%") -> ConstantSingletonPredicate
12280 __init__(ConstantSingletonPredicate self) -> ConstantSingletonPredicate
12282 _IMP_core.ConstantSingletonPredicate_swiginit(self, _IMP_core.new_ConstantSingletonPredicate(*args))
12284 def do_get_inputs(self, arg2, arg3):
12285 r"""do_get_inputs(ConstantSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12286 return _IMP_core.ConstantSingletonPredicate_do_get_inputs(self, arg2, arg3)
12288 def get_value(self, *args):
12290 get_value(ConstantSingletonPredicate self, Particle a) -> int
12291 get_value(ConstantSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12293 return _IMP_core.ConstantSingletonPredicate_get_value(self, *args)
12295 def get_value_index(self, *args):
12297 get_value_index(ConstantSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
12298 get_value_index(ConstantSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12300 return _IMP_core.ConstantSingletonPredicate_get_value_index(self, *args)
12302 def get_version_info(self):
12303 r"""get_version_info(ConstantSingletonPredicate self) -> VersionInfo"""
12304 return _IMP_core.ConstantSingletonPredicate_get_version_info(self)
12305 __swig_destroy__ = _IMP_core.delete_ConstantSingletonPredicate
12308 r"""__str__(ConstantSingletonPredicate self) -> std::string"""
12309 return _IMP_core.ConstantSingletonPredicate___str__(self)
12311 def __repr__(self):
12312 r"""__repr__(ConstantSingletonPredicate self) -> std::string"""
12313 return _IMP_core.ConstantSingletonPredicate___repr__(self)
12317 return _object_cast_to_ConstantSingletonPredicate(o)
12320 def _get_as_binary(self):
12321 r"""_get_as_binary(ConstantSingletonPredicate self) -> PyObject *"""
12322 return _IMP_core.ConstantSingletonPredicate__get_as_binary(self)
12324 def _set_from_binary(self, p):
12325 r"""_set_from_binary(ConstantSingletonPredicate self, PyObject * p)"""
12326 return _IMP_core.ConstantSingletonPredicate__set_from_binary(self, p)
12328 def __getstate__(self):
12329 p = self._get_as_binary()
12330 if len(self.__dict__) > 1:
12331 d = self.__dict__.copy()
12336 def __setstate__(self, p):
12337 if not hasattr(self,
'this'):
12339 if isinstance(p, tuple):
12341 self.__dict__.update(d)
12342 return self._set_from_binary(p)
12346 _IMP_core.ConstantSingletonPredicate_swigregister(ConstantSingletonPredicate)
12348 r"""Proxy of C++ IMP::core::UnorderedTypeSingletonPredicate class."""
12350 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12352 def __init__(self, *args):
12353 r"""__init__(UnorderedTypeSingletonPredicate self, std::string name="UnorderedTypeSingletonPredicate%1%") -> UnorderedTypeSingletonPredicate"""
12354 _IMP_core.UnorderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_UnorderedTypeSingletonPredicate(*args))
12356 def do_get_inputs(self, m, pis):
12357 r"""do_get_inputs(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12358 return _IMP_core.UnorderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
12360 def get_value(self, *args):
12362 get_value(UnorderedTypeSingletonPredicate self, Particle a) -> int
12363 get_value(UnorderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12365 return _IMP_core.UnorderedTypeSingletonPredicate_get_value(self, *args)
12367 def get_value_index(self, *args):
12369 get_value_index(UnorderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
12370 get_value_index(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12372 return _IMP_core.UnorderedTypeSingletonPredicate_get_value_index(self, *args)
12374 def get_version_info(self):
12375 r"""get_version_info(UnorderedTypeSingletonPredicate self) -> VersionInfo"""
12376 return _IMP_core.UnorderedTypeSingletonPredicate_get_version_info(self)
12377 __swig_destroy__ = _IMP_core.delete_UnorderedTypeSingletonPredicate
12380 r"""__str__(UnorderedTypeSingletonPredicate self) -> std::string"""
12381 return _IMP_core.UnorderedTypeSingletonPredicate___str__(self)
12383 def __repr__(self):
12384 r"""__repr__(UnorderedTypeSingletonPredicate self) -> std::string"""
12385 return _IMP_core.UnorderedTypeSingletonPredicate___repr__(self)
12389 return _object_cast_to_UnorderedTypeSingletonPredicate(o)
12392 def _get_as_binary(self):
12393 r"""_get_as_binary(UnorderedTypeSingletonPredicate self) -> PyObject *"""
12394 return _IMP_core.UnorderedTypeSingletonPredicate__get_as_binary(self)
12396 def _set_from_binary(self, p):
12397 r"""_set_from_binary(UnorderedTypeSingletonPredicate self, PyObject * p)"""
12398 return _IMP_core.UnorderedTypeSingletonPredicate__set_from_binary(self, p)
12400 def __getstate__(self):
12401 p = self._get_as_binary()
12402 if len(self.__dict__) > 1:
12403 d = self.__dict__.copy()
12408 def __setstate__(self, p):
12409 if not hasattr(self,
'this'):
12411 if isinstance(p, tuple):
12413 self.__dict__.update(d)
12414 return self._set_from_binary(p)
12418 _IMP_core.UnorderedTypeSingletonPredicate_swigregister(UnorderedTypeSingletonPredicate)
12420 r"""Proxy of C++ IMP::core::OrderedTypeSingletonPredicate class."""
12422 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12424 def __init__(self, *args):
12425 r"""__init__(OrderedTypeSingletonPredicate self, std::string name="OrderedTypeSingletonPredicate%1%") -> OrderedTypeSingletonPredicate"""
12426 _IMP_core.OrderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_OrderedTypeSingletonPredicate(*args))
12428 def do_get_inputs(self, m, pis):
12429 r"""do_get_inputs(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12430 return _IMP_core.OrderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
12432 def get_value(self, *args):
12434 get_value(OrderedTypeSingletonPredicate self, IMP::core::ParticleTypes const & types) -> int
12435 get_value(OrderedTypeSingletonPredicate self, Particle a) -> int
12436 get_value(OrderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12438 return _IMP_core.OrderedTypeSingletonPredicate_get_value(self, *args)
12440 def get_value_index(self, *args):
12442 get_value_index(OrderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
12443 get_value_index(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12445 return _IMP_core.OrderedTypeSingletonPredicate_get_value_index(self, *args)
12447 def get_version_info(self):
12448 r"""get_version_info(OrderedTypeSingletonPredicate self) -> VersionInfo"""
12449 return _IMP_core.OrderedTypeSingletonPredicate_get_version_info(self)
12450 __swig_destroy__ = _IMP_core.delete_OrderedTypeSingletonPredicate
12453 r"""__str__(OrderedTypeSingletonPredicate self) -> std::string"""
12454 return _IMP_core.OrderedTypeSingletonPredicate___str__(self)
12456 def __repr__(self):
12457 r"""__repr__(OrderedTypeSingletonPredicate self) -> std::string"""
12458 return _IMP_core.OrderedTypeSingletonPredicate___repr__(self)
12462 return _object_cast_to_OrderedTypeSingletonPredicate(o)
12466 _IMP_core.OrderedTypeSingletonPredicate_swigregister(OrderedTypeSingletonPredicate)
12468 r"""Proxy of C++ IMP::core::AllSameSingletonPredicate class."""
12470 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12472 def __init__(self, *args):
12473 r"""__init__(AllSameSingletonPredicate self, std::string name="AllSameSingletonPredicate%1%") -> AllSameSingletonPredicate"""
12474 _IMP_core.AllSameSingletonPredicate_swiginit(self, _IMP_core.new_AllSameSingletonPredicate(*args))
12476 def do_get_inputs(self, arg2, arg3):
12477 r"""do_get_inputs(AllSameSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12478 return _IMP_core.AllSameSingletonPredicate_do_get_inputs(self, arg2, arg3)
12480 def get_value(self, *args):
12482 get_value(AllSameSingletonPredicate self, Particle a) -> int
12483 get_value(AllSameSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12485 return _IMP_core.AllSameSingletonPredicate_get_value(self, *args)
12487 def get_value_index(self, *args):
12489 get_value_index(AllSameSingletonPredicate self, Model m, ParticleIndex pi) -> int
12490 get_value_index(AllSameSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12492 return _IMP_core.AllSameSingletonPredicate_get_value_index(self, *args)
12494 def get_version_info(self):
12495 r"""get_version_info(AllSameSingletonPredicate self) -> VersionInfo"""
12496 return _IMP_core.AllSameSingletonPredicate_get_version_info(self)
12497 __swig_destroy__ = _IMP_core.delete_AllSameSingletonPredicate
12500 r"""__str__(AllSameSingletonPredicate self) -> std::string"""
12501 return _IMP_core.AllSameSingletonPredicate___str__(self)
12503 def __repr__(self):
12504 r"""__repr__(AllSameSingletonPredicate self) -> std::string"""
12505 return _IMP_core.AllSameSingletonPredicate___repr__(self)
12509 return _object_cast_to_AllSameSingletonPredicate(o)
12512 def _get_as_binary(self):
12513 r"""_get_as_binary(AllSameSingletonPredicate self) -> PyObject *"""
12514 return _IMP_core.AllSameSingletonPredicate__get_as_binary(self)
12516 def _set_from_binary(self, p):
12517 r"""_set_from_binary(AllSameSingletonPredicate self, PyObject * p)"""
12518 return _IMP_core.AllSameSingletonPredicate__set_from_binary(self, p)
12520 def __getstate__(self):
12521 p = self._get_as_binary()
12522 if len(self.__dict__) > 1:
12523 d = self.__dict__.copy()
12528 def __setstate__(self, p):
12529 if not hasattr(self,
'this'):
12531 if isinstance(p, tuple):
12533 self.__dict__.update(d)
12534 return self._set_from_binary(p)
12538 _IMP_core.AllSameSingletonPredicate_swigregister(AllSameSingletonPredicate)
12540 r"""Proxy of C++ IMP::core::CoinFlipSingletonPredicate class."""
12542 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12544 def __init__(self, *args):
12545 r"""__init__(CoinFlipSingletonPredicate self, double p, std::string name="CoinFlipSingletonPredicate%1%") -> CoinFlipSingletonPredicate"""
12546 _IMP_core.CoinFlipSingletonPredicate_swiginit(self, _IMP_core.new_CoinFlipSingletonPredicate(*args))
12548 def do_get_inputs(self, arg2, arg3):
12549 r"""do_get_inputs(CoinFlipSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12550 return _IMP_core.CoinFlipSingletonPredicate_do_get_inputs(self, arg2, arg3)
12552 def get_value(self, *args):
12554 get_value(CoinFlipSingletonPredicate self, Particle a) -> int
12555 get_value(CoinFlipSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12557 return _IMP_core.CoinFlipSingletonPredicate_get_value(self, *args)
12559 def get_value_index(self, *args):
12561 get_value_index(CoinFlipSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
12562 get_value_index(CoinFlipSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12564 return _IMP_core.CoinFlipSingletonPredicate_get_value_index(self, *args)
12566 def get_version_info(self):
12567 r"""get_version_info(CoinFlipSingletonPredicate self) -> VersionInfo"""
12568 return _IMP_core.CoinFlipSingletonPredicate_get_version_info(self)
12569 __swig_destroy__ = _IMP_core.delete_CoinFlipSingletonPredicate
12572 r"""__str__(CoinFlipSingletonPredicate self) -> std::string"""
12573 return _IMP_core.CoinFlipSingletonPredicate___str__(self)
12575 def __repr__(self):
12576 r"""__repr__(CoinFlipSingletonPredicate self) -> std::string"""
12577 return _IMP_core.CoinFlipSingletonPredicate___repr__(self)
12581 return _object_cast_to_CoinFlipSingletonPredicate(o)
12585 _IMP_core.CoinFlipSingletonPredicate_swigregister(CoinFlipSingletonPredicate)
12587 r"""Proxy of C++ IMP::core::ConstantPairPredicate class."""
12589 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12591 def __init__(self, *args):
12593 __init__(ConstantPairPredicate self, int v, std::string name="ConstPairPredicate%1%") -> ConstantPairPredicate
12594 __init__(ConstantPairPredicate self) -> ConstantPairPredicate
12596 _IMP_core.ConstantPairPredicate_swiginit(self, _IMP_core.new_ConstantPairPredicate(*args))
12598 def do_get_inputs(self, arg2, arg3):
12599 r"""do_get_inputs(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12600 return _IMP_core.ConstantPairPredicate_do_get_inputs(self, arg2, arg3)
12602 def get_value(self, *args):
12604 get_value(ConstantPairPredicate self, IMP::ParticlePair const & a) -> int
12605 get_value(ConstantPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12607 return _IMP_core.ConstantPairPredicate_get_value(self, *args)
12609 def get_value_index(self, *args):
12611 get_value_index(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
12612 get_value_index(ConstantPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12614 return _IMP_core.ConstantPairPredicate_get_value_index(self, *args)
12616 def get_version_info(self):
12617 r"""get_version_info(ConstantPairPredicate self) -> VersionInfo"""
12618 return _IMP_core.ConstantPairPredicate_get_version_info(self)
12619 __swig_destroy__ = _IMP_core.delete_ConstantPairPredicate
12622 r"""__str__(ConstantPairPredicate self) -> std::string"""
12623 return _IMP_core.ConstantPairPredicate___str__(self)
12625 def __repr__(self):
12626 r"""__repr__(ConstantPairPredicate self) -> std::string"""
12627 return _IMP_core.ConstantPairPredicate___repr__(self)
12631 return _object_cast_to_ConstantPairPredicate(o)
12634 def _get_as_binary(self):
12635 r"""_get_as_binary(ConstantPairPredicate self) -> PyObject *"""
12636 return _IMP_core.ConstantPairPredicate__get_as_binary(self)
12638 def _set_from_binary(self, p):
12639 r"""_set_from_binary(ConstantPairPredicate self, PyObject * p)"""
12640 return _IMP_core.ConstantPairPredicate__set_from_binary(self, p)
12642 def __getstate__(self):
12643 p = self._get_as_binary()
12644 if len(self.__dict__) > 1:
12645 d = self.__dict__.copy()
12650 def __setstate__(self, p):
12651 if not hasattr(self,
'this'):
12653 if isinstance(p, tuple):
12655 self.__dict__.update(d)
12656 return self._set_from_binary(p)
12660 _IMP_core.ConstantPairPredicate_swigregister(ConstantPairPredicate)
12662 r"""Proxy of C++ IMP::core::UnorderedTypePairPredicate class."""
12664 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12666 def __init__(self, *args):
12667 r"""__init__(UnorderedTypePairPredicate self, std::string name="UnorderedTypePairPredicate%1%") -> UnorderedTypePairPredicate"""
12668 _IMP_core.UnorderedTypePairPredicate_swiginit(self, _IMP_core.new_UnorderedTypePairPredicate(*args))
12670 def do_get_inputs(self, m, pis):
12671 r"""do_get_inputs(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12672 return _IMP_core.UnorderedTypePairPredicate_do_get_inputs(self, m, pis)
12674 def get_value(self, *args):
12676 get_value(UnorderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12677 get_value(UnorderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12679 return _IMP_core.UnorderedTypePairPredicate_get_value(self, *args)
12681 def get_value_index(self, *args):
12683 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12684 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12686 return _IMP_core.UnorderedTypePairPredicate_get_value_index(self, *args)
12688 def get_version_info(self):
12689 r"""get_version_info(UnorderedTypePairPredicate self) -> VersionInfo"""
12690 return _IMP_core.UnorderedTypePairPredicate_get_version_info(self)
12691 __swig_destroy__ = _IMP_core.delete_UnorderedTypePairPredicate
12694 r"""__str__(UnorderedTypePairPredicate self) -> std::string"""
12695 return _IMP_core.UnorderedTypePairPredicate___str__(self)
12697 def __repr__(self):
12698 r"""__repr__(UnorderedTypePairPredicate self) -> std::string"""
12699 return _IMP_core.UnorderedTypePairPredicate___repr__(self)
12703 return _object_cast_to_UnorderedTypePairPredicate(o)
12706 def _get_as_binary(self):
12707 r"""_get_as_binary(UnorderedTypePairPredicate self) -> PyObject *"""
12708 return _IMP_core.UnorderedTypePairPredicate__get_as_binary(self)
12710 def _set_from_binary(self, p):
12711 r"""_set_from_binary(UnorderedTypePairPredicate self, PyObject * p)"""
12712 return _IMP_core.UnorderedTypePairPredicate__set_from_binary(self, p)
12714 def __getstate__(self):
12715 p = self._get_as_binary()
12716 if len(self.__dict__) > 1:
12717 d = self.__dict__.copy()
12722 def __setstate__(self, p):
12723 if not hasattr(self,
'this'):
12725 if isinstance(p, tuple):
12727 self.__dict__.update(d)
12728 return self._set_from_binary(p)
12732 _IMP_core.UnorderedTypePairPredicate_swigregister(UnorderedTypePairPredicate)
12734 r"""Proxy of C++ IMP::core::OrderedTypePairPredicate class."""
12736 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12738 def __init__(self, *args):
12739 r"""__init__(OrderedTypePairPredicate self, std::string name="OrderedTypePairPredicate%1%") -> OrderedTypePairPredicate"""
12740 _IMP_core.OrderedTypePairPredicate_swiginit(self, _IMP_core.new_OrderedTypePairPredicate(*args))
12742 def do_get_inputs(self, m, pis):
12743 r"""do_get_inputs(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12744 return _IMP_core.OrderedTypePairPredicate_do_get_inputs(self, m, pis)
12746 def get_value(self, *args):
12748 get_value(OrderedTypePairPredicate self, IMP::core::ParticleTypes const & types) -> int
12749 get_value(OrderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12750 get_value(OrderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12752 return _IMP_core.OrderedTypePairPredicate_get_value(self, *args)
12754 def get_value_index(self, *args):
12756 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12757 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12759 return _IMP_core.OrderedTypePairPredicate_get_value_index(self, *args)
12761 def get_version_info(self):
12762 r"""get_version_info(OrderedTypePairPredicate self) -> VersionInfo"""
12763 return _IMP_core.OrderedTypePairPredicate_get_version_info(self)
12764 __swig_destroy__ = _IMP_core.delete_OrderedTypePairPredicate
12767 r"""__str__(OrderedTypePairPredicate self) -> std::string"""
12768 return _IMP_core.OrderedTypePairPredicate___str__(self)
12770 def __repr__(self):
12771 r"""__repr__(OrderedTypePairPredicate self) -> std::string"""
12772 return _IMP_core.OrderedTypePairPredicate___repr__(self)
12776 return _object_cast_to_OrderedTypePairPredicate(o)
12780 _IMP_core.OrderedTypePairPredicate_swigregister(OrderedTypePairPredicate)
12782 r"""Proxy of C++ IMP::core::AllSamePairPredicate class."""
12784 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12786 def __init__(self, *args):
12787 r"""__init__(AllSamePairPredicate self, std::string name="AllSamePairPredicate%1%") -> AllSamePairPredicate"""
12788 _IMP_core.AllSamePairPredicate_swiginit(self, _IMP_core.new_AllSamePairPredicate(*args))
12790 def do_get_inputs(self, arg2, arg3):
12791 r"""do_get_inputs(AllSamePairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12792 return _IMP_core.AllSamePairPredicate_do_get_inputs(self, arg2, arg3)
12794 def get_value(self, *args):
12796 get_value(AllSamePairPredicate self, IMP::ParticlePair const & a) -> int
12797 get_value(AllSamePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12799 return _IMP_core.AllSamePairPredicate_get_value(self, *args)
12801 def get_value_index(self, *args):
12803 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12804 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12806 return _IMP_core.AllSamePairPredicate_get_value_index(self, *args)
12808 def get_version_info(self):
12809 r"""get_version_info(AllSamePairPredicate self) -> VersionInfo"""
12810 return _IMP_core.AllSamePairPredicate_get_version_info(self)
12811 __swig_destroy__ = _IMP_core.delete_AllSamePairPredicate
12814 r"""__str__(AllSamePairPredicate self) -> std::string"""
12815 return _IMP_core.AllSamePairPredicate___str__(self)
12817 def __repr__(self):
12818 r"""__repr__(AllSamePairPredicate self) -> std::string"""
12819 return _IMP_core.AllSamePairPredicate___repr__(self)
12823 return _object_cast_to_AllSamePairPredicate(o)
12826 def _get_as_binary(self):
12827 r"""_get_as_binary(AllSamePairPredicate self) -> PyObject *"""
12828 return _IMP_core.AllSamePairPredicate__get_as_binary(self)
12830 def _set_from_binary(self, p):
12831 r"""_set_from_binary(AllSamePairPredicate self, PyObject * p)"""
12832 return _IMP_core.AllSamePairPredicate__set_from_binary(self, p)
12834 def __getstate__(self):
12835 p = self._get_as_binary()
12836 if len(self.__dict__) > 1:
12837 d = self.__dict__.copy()
12842 def __setstate__(self, p):
12843 if not hasattr(self,
'this'):
12845 if isinstance(p, tuple):
12847 self.__dict__.update(d)
12848 return self._set_from_binary(p)
12852 _IMP_core.AllSamePairPredicate_swigregister(AllSamePairPredicate)
12854 r"""Proxy of C++ IMP::core::CoinFlipPairPredicate class."""
12856 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12858 def __init__(self, *args):
12859 r"""__init__(CoinFlipPairPredicate self, double p, std::string name="CoinFlipPairPredicate%1%") -> CoinFlipPairPredicate"""
12860 _IMP_core.CoinFlipPairPredicate_swiginit(self, _IMP_core.new_CoinFlipPairPredicate(*args))
12862 def do_get_inputs(self, arg2, arg3):
12863 r"""do_get_inputs(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12864 return _IMP_core.CoinFlipPairPredicate_do_get_inputs(self, arg2, arg3)
12866 def get_value(self, *args):
12868 get_value(CoinFlipPairPredicate self, IMP::ParticlePair const & a) -> int
12869 get_value(CoinFlipPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12871 return _IMP_core.CoinFlipPairPredicate_get_value(self, *args)
12873 def get_value_index(self, *args):
12875 get_value_index(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
12876 get_value_index(CoinFlipPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12878 return _IMP_core.CoinFlipPairPredicate_get_value_index(self, *args)
12880 def get_version_info(self):
12881 r"""get_version_info(CoinFlipPairPredicate self) -> VersionInfo"""
12882 return _IMP_core.CoinFlipPairPredicate_get_version_info(self)
12883 __swig_destroy__ = _IMP_core.delete_CoinFlipPairPredicate
12886 r"""__str__(CoinFlipPairPredicate self) -> std::string"""
12887 return _IMP_core.CoinFlipPairPredicate___str__(self)
12889 def __repr__(self):
12890 r"""__repr__(CoinFlipPairPredicate self) -> std::string"""
12891 return _IMP_core.CoinFlipPairPredicate___repr__(self)
12895 return _object_cast_to_CoinFlipPairPredicate(o)
12899 _IMP_core.CoinFlipPairPredicate_swigregister(CoinFlipPairPredicate)
12901 r"""Proxy of C++ IMP::core::ConstantTripletPredicate class."""
12903 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12905 def __init__(self, *args):
12907 __init__(ConstantTripletPredicate self, int v, std::string name="ConstTripletPredicate%1%") -> ConstantTripletPredicate
12908 __init__(ConstantTripletPredicate self) -> ConstantTripletPredicate
12910 _IMP_core.ConstantTripletPredicate_swiginit(self, _IMP_core.new_ConstantTripletPredicate(*args))
12912 def do_get_inputs(self, arg2, arg3):
12913 r"""do_get_inputs(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12914 return _IMP_core.ConstantTripletPredicate_do_get_inputs(self, arg2, arg3)
12916 def get_value(self, *args):
12918 get_value(ConstantTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12919 get_value(ConstantTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12921 return _IMP_core.ConstantTripletPredicate_get_value(self, *args)
12923 def get_value_index(self, *args):
12925 get_value_index(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
12926 get_value_index(ConstantTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12928 return _IMP_core.ConstantTripletPredicate_get_value_index(self, *args)
12930 def get_version_info(self):
12931 r"""get_version_info(ConstantTripletPredicate self) -> VersionInfo"""
12932 return _IMP_core.ConstantTripletPredicate_get_version_info(self)
12933 __swig_destroy__ = _IMP_core.delete_ConstantTripletPredicate
12936 r"""__str__(ConstantTripletPredicate self) -> std::string"""
12937 return _IMP_core.ConstantTripletPredicate___str__(self)
12939 def __repr__(self):
12940 r"""__repr__(ConstantTripletPredicate self) -> std::string"""
12941 return _IMP_core.ConstantTripletPredicate___repr__(self)
12945 return _object_cast_to_ConstantTripletPredicate(o)
12948 def _get_as_binary(self):
12949 r"""_get_as_binary(ConstantTripletPredicate self) -> PyObject *"""
12950 return _IMP_core.ConstantTripletPredicate__get_as_binary(self)
12952 def _set_from_binary(self, p):
12953 r"""_set_from_binary(ConstantTripletPredicate self, PyObject * p)"""
12954 return _IMP_core.ConstantTripletPredicate__set_from_binary(self, p)
12956 def __getstate__(self):
12957 p = self._get_as_binary()
12958 if len(self.__dict__) > 1:
12959 d = self.__dict__.copy()
12964 def __setstate__(self, p):
12965 if not hasattr(self,
'this'):
12967 if isinstance(p, tuple):
12969 self.__dict__.update(d)
12970 return self._set_from_binary(p)
12974 _IMP_core.ConstantTripletPredicate_swigregister(ConstantTripletPredicate)
12976 r"""Proxy of C++ IMP::core::UnorderedTypeTripletPredicate class."""
12978 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12980 def __init__(self, *args):
12981 r"""__init__(UnorderedTypeTripletPredicate self, std::string name="UnorderedTypeTripletPredicate%1%") -> UnorderedTypeTripletPredicate"""
12982 _IMP_core.UnorderedTypeTripletPredicate_swiginit(self, _IMP_core.new_UnorderedTypeTripletPredicate(*args))
12984 def do_get_inputs(self, m, pis):
12985 r"""do_get_inputs(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12986 return _IMP_core.UnorderedTypeTripletPredicate_do_get_inputs(self, m, pis)
12988 def get_value(self, *args):
12990 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12991 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12993 return _IMP_core.UnorderedTypeTripletPredicate_get_value(self, *args)
12995 def get_value_index(self, *args):
12997 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12998 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
13000 return _IMP_core.UnorderedTypeTripletPredicate_get_value_index(self, *args)
13002 def get_version_info(self):
13003 r"""get_version_info(UnorderedTypeTripletPredicate self) -> VersionInfo"""
13004 return _IMP_core.UnorderedTypeTripletPredicate_get_version_info(self)
13005 __swig_destroy__ = _IMP_core.delete_UnorderedTypeTripletPredicate
13008 r"""__str__(UnorderedTypeTripletPredicate self) -> std::string"""
13009 return _IMP_core.UnorderedTypeTripletPredicate___str__(self)
13011 def __repr__(self):
13012 r"""__repr__(UnorderedTypeTripletPredicate self) -> std::string"""
13013 return _IMP_core.UnorderedTypeTripletPredicate___repr__(self)
13017 return _object_cast_to_UnorderedTypeTripletPredicate(o)
13020 def _get_as_binary(self):
13021 r"""_get_as_binary(UnorderedTypeTripletPredicate self) -> PyObject *"""
13022 return _IMP_core.UnorderedTypeTripletPredicate__get_as_binary(self)
13024 def _set_from_binary(self, p):
13025 r"""_set_from_binary(UnorderedTypeTripletPredicate self, PyObject * p)"""
13026 return _IMP_core.UnorderedTypeTripletPredicate__set_from_binary(self, p)
13028 def __getstate__(self):
13029 p = self._get_as_binary()
13030 if len(self.__dict__) > 1:
13031 d = self.__dict__.copy()
13036 def __setstate__(self, p):
13037 if not hasattr(self,
'this'):
13039 if isinstance(p, tuple):
13041 self.__dict__.update(d)
13042 return self._set_from_binary(p)
13046 _IMP_core.UnorderedTypeTripletPredicate_swigregister(UnorderedTypeTripletPredicate)
13048 r"""Proxy of C++ IMP::core::OrderedTypeTripletPredicate class."""
13050 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13052 def __init__(self, *args):
13053 r"""__init__(OrderedTypeTripletPredicate self, std::string name="OrderedTypeTripletPredicate%1%") -> OrderedTypeTripletPredicate"""
13054 _IMP_core.OrderedTypeTripletPredicate_swiginit(self, _IMP_core.new_OrderedTypeTripletPredicate(*args))
13056 def do_get_inputs(self, m, pis):
13057 r"""do_get_inputs(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13058 return _IMP_core.OrderedTypeTripletPredicate_do_get_inputs(self, m, pis)
13060 def get_value(self, *args):
13062 get_value(OrderedTypeTripletPredicate self, IMP::core::ParticleTypes const & types) -> int
13063 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
13064 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
13066 return _IMP_core.OrderedTypeTripletPredicate_get_value(self, *args)
13068 def get_value_index(self, *args):
13070 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
13071 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
13073 return _IMP_core.OrderedTypeTripletPredicate_get_value_index(self, *args)
13075 def get_version_info(self):
13076 r"""get_version_info(OrderedTypeTripletPredicate self) -> VersionInfo"""
13077 return _IMP_core.OrderedTypeTripletPredicate_get_version_info(self)
13078 __swig_destroy__ = _IMP_core.delete_OrderedTypeTripletPredicate
13081 r"""__str__(OrderedTypeTripletPredicate self) -> std::string"""
13082 return _IMP_core.OrderedTypeTripletPredicate___str__(self)
13084 def __repr__(self):
13085 r"""__repr__(OrderedTypeTripletPredicate self) -> std::string"""
13086 return _IMP_core.OrderedTypeTripletPredicate___repr__(self)
13090 return _object_cast_to_OrderedTypeTripletPredicate(o)
13094 _IMP_core.OrderedTypeTripletPredicate_swigregister(OrderedTypeTripletPredicate)
13096 r"""Proxy of C++ IMP::core::AllSameTripletPredicate class."""
13098 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13100 def __init__(self, *args):
13101 r"""__init__(AllSameTripletPredicate self, std::string name="AllSameTripletPredicate%1%") -> AllSameTripletPredicate"""
13102 _IMP_core.AllSameTripletPredicate_swiginit(self, _IMP_core.new_AllSameTripletPredicate(*args))
13104 def do_get_inputs(self, arg2, arg3):
13105 r"""do_get_inputs(AllSameTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13106 return _IMP_core.AllSameTripletPredicate_do_get_inputs(self, arg2, arg3)
13108 def get_value(self, *args):
13110 get_value(AllSameTripletPredicate self, IMP::ParticleTriplet const & a) -> int
13111 get_value(AllSameTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
13113 return _IMP_core.AllSameTripletPredicate_get_value(self, *args)
13115 def get_value_index(self, *args):
13117 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
13118 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
13120 return _IMP_core.AllSameTripletPredicate_get_value_index(self, *args)
13122 def get_version_info(self):
13123 r"""get_version_info(AllSameTripletPredicate self) -> VersionInfo"""
13124 return _IMP_core.AllSameTripletPredicate_get_version_info(self)
13125 __swig_destroy__ = _IMP_core.delete_AllSameTripletPredicate
13128 r"""__str__(AllSameTripletPredicate self) -> std::string"""
13129 return _IMP_core.AllSameTripletPredicate___str__(self)
13131 def __repr__(self):
13132 r"""__repr__(AllSameTripletPredicate self) -> std::string"""
13133 return _IMP_core.AllSameTripletPredicate___repr__(self)
13137 return _object_cast_to_AllSameTripletPredicate(o)
13140 def _get_as_binary(self):
13141 r"""_get_as_binary(AllSameTripletPredicate self) -> PyObject *"""
13142 return _IMP_core.AllSameTripletPredicate__get_as_binary(self)
13144 def _set_from_binary(self, p):
13145 r"""_set_from_binary(AllSameTripletPredicate self, PyObject * p)"""
13146 return _IMP_core.AllSameTripletPredicate__set_from_binary(self, p)
13148 def __getstate__(self):
13149 p = self._get_as_binary()
13150 if len(self.__dict__) > 1:
13151 d = self.__dict__.copy()
13156 def __setstate__(self, p):
13157 if not hasattr(self,
'this'):
13159 if isinstance(p, tuple):
13161 self.__dict__.update(d)
13162 return self._set_from_binary(p)
13166 _IMP_core.AllSameTripletPredicate_swigregister(AllSameTripletPredicate)
13168 r"""Proxy of C++ IMP::core::CoinFlipTripletPredicate class."""
13170 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13172 def __init__(self, *args):
13173 r"""__init__(CoinFlipTripletPredicate self, double p, std::string name="CoinFlipTripletPredicate%1%") -> CoinFlipTripletPredicate"""
13174 _IMP_core.CoinFlipTripletPredicate_swiginit(self, _IMP_core.new_CoinFlipTripletPredicate(*args))
13176 def do_get_inputs(self, arg2, arg3):
13177 r"""do_get_inputs(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13178 return _IMP_core.CoinFlipTripletPredicate_do_get_inputs(self, arg2, arg3)
13180 def get_value(self, *args):
13182 get_value(CoinFlipTripletPredicate self, IMP::ParticleTriplet const & a) -> int
13183 get_value(CoinFlipTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
13185 return _IMP_core.CoinFlipTripletPredicate_get_value(self, *args)
13187 def get_value_index(self, *args):
13189 get_value_index(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
13190 get_value_index(CoinFlipTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
13192 return _IMP_core.CoinFlipTripletPredicate_get_value_index(self, *args)
13194 def get_version_info(self):
13195 r"""get_version_info(CoinFlipTripletPredicate self) -> VersionInfo"""
13196 return _IMP_core.CoinFlipTripletPredicate_get_version_info(self)
13197 __swig_destroy__ = _IMP_core.delete_CoinFlipTripletPredicate
13200 r"""__str__(CoinFlipTripletPredicate self) -> std::string"""
13201 return _IMP_core.CoinFlipTripletPredicate___str__(self)
13203 def __repr__(self):
13204 r"""__repr__(CoinFlipTripletPredicate self) -> std::string"""
13205 return _IMP_core.CoinFlipTripletPredicate___repr__(self)
13209 return _object_cast_to_CoinFlipTripletPredicate(o)
13213 _IMP_core.CoinFlipTripletPredicate_swigregister(CoinFlipTripletPredicate)
13215 r"""Proxy of C++ IMP::core::ConstantQuadPredicate class."""
13217 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13219 def __init__(self, *args):
13221 __init__(ConstantQuadPredicate self, int v, std::string name="ConstQuadPredicate%1%") -> ConstantQuadPredicate
13222 __init__(ConstantQuadPredicate self) -> ConstantQuadPredicate
13224 _IMP_core.ConstantQuadPredicate_swiginit(self, _IMP_core.new_ConstantQuadPredicate(*args))
13226 def do_get_inputs(self, arg2, arg3):
13227 r"""do_get_inputs(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13228 return _IMP_core.ConstantQuadPredicate_do_get_inputs(self, arg2, arg3)
13230 def get_value(self, *args):
13232 get_value(ConstantQuadPredicate self, IMP::ParticleQuad const & a) -> int
13233 get_value(ConstantQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13235 return _IMP_core.ConstantQuadPredicate_get_value(self, *args)
13237 def get_value_index(self, *args):
13239 get_value_index(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
13240 get_value_index(ConstantQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13242 return _IMP_core.ConstantQuadPredicate_get_value_index(self, *args)
13244 def get_version_info(self):
13245 r"""get_version_info(ConstantQuadPredicate self) -> VersionInfo"""
13246 return _IMP_core.ConstantQuadPredicate_get_version_info(self)
13247 __swig_destroy__ = _IMP_core.delete_ConstantQuadPredicate
13250 r"""__str__(ConstantQuadPredicate self) -> std::string"""
13251 return _IMP_core.ConstantQuadPredicate___str__(self)
13253 def __repr__(self):
13254 r"""__repr__(ConstantQuadPredicate self) -> std::string"""
13255 return _IMP_core.ConstantQuadPredicate___repr__(self)
13259 return _object_cast_to_ConstantQuadPredicate(o)
13262 def _get_as_binary(self):
13263 r"""_get_as_binary(ConstantQuadPredicate self) -> PyObject *"""
13264 return _IMP_core.ConstantQuadPredicate__get_as_binary(self)
13266 def _set_from_binary(self, p):
13267 r"""_set_from_binary(ConstantQuadPredicate self, PyObject * p)"""
13268 return _IMP_core.ConstantQuadPredicate__set_from_binary(self, p)
13270 def __getstate__(self):
13271 p = self._get_as_binary()
13272 if len(self.__dict__) > 1:
13273 d = self.__dict__.copy()
13278 def __setstate__(self, p):
13279 if not hasattr(self,
'this'):
13281 if isinstance(p, tuple):
13283 self.__dict__.update(d)
13284 return self._set_from_binary(p)
13288 _IMP_core.ConstantQuadPredicate_swigregister(ConstantQuadPredicate)
13290 r"""Proxy of C++ IMP::core::UnorderedTypeQuadPredicate class."""
13292 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13294 def __init__(self, *args):
13295 r"""__init__(UnorderedTypeQuadPredicate self, std::string name="UnorderedTypeQuadPredicate%1%") -> UnorderedTypeQuadPredicate"""
13296 _IMP_core.UnorderedTypeQuadPredicate_swiginit(self, _IMP_core.new_UnorderedTypeQuadPredicate(*args))
13298 def do_get_inputs(self, m, pis):
13299 r"""do_get_inputs(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13300 return _IMP_core.UnorderedTypeQuadPredicate_do_get_inputs(self, m, pis)
13302 def get_value(self, *args):
13304 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
13305 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13307 return _IMP_core.UnorderedTypeQuadPredicate_get_value(self, *args)
13309 def get_value_index(self, *args):
13311 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13312 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13314 return _IMP_core.UnorderedTypeQuadPredicate_get_value_index(self, *args)
13316 def get_version_info(self):
13317 r"""get_version_info(UnorderedTypeQuadPredicate self) -> VersionInfo"""
13318 return _IMP_core.UnorderedTypeQuadPredicate_get_version_info(self)
13319 __swig_destroy__ = _IMP_core.delete_UnorderedTypeQuadPredicate
13322 r"""__str__(UnorderedTypeQuadPredicate self) -> std::string"""
13323 return _IMP_core.UnorderedTypeQuadPredicate___str__(self)
13325 def __repr__(self):
13326 r"""__repr__(UnorderedTypeQuadPredicate self) -> std::string"""
13327 return _IMP_core.UnorderedTypeQuadPredicate___repr__(self)
13331 return _object_cast_to_UnorderedTypeQuadPredicate(o)
13334 def _get_as_binary(self):
13335 r"""_get_as_binary(UnorderedTypeQuadPredicate self) -> PyObject *"""
13336 return _IMP_core.UnorderedTypeQuadPredicate__get_as_binary(self)
13338 def _set_from_binary(self, p):
13339 r"""_set_from_binary(UnorderedTypeQuadPredicate self, PyObject * p)"""
13340 return _IMP_core.UnorderedTypeQuadPredicate__set_from_binary(self, p)
13342 def __getstate__(self):
13343 p = self._get_as_binary()
13344 if len(self.__dict__) > 1:
13345 d = self.__dict__.copy()
13350 def __setstate__(self, p):
13351 if not hasattr(self,
'this'):
13353 if isinstance(p, tuple):
13355 self.__dict__.update(d)
13356 return self._set_from_binary(p)
13360 _IMP_core.UnorderedTypeQuadPredicate_swigregister(UnorderedTypeQuadPredicate)
13362 r"""Proxy of C++ IMP::core::OrderedTypeQuadPredicate class."""
13364 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13366 def __init__(self, *args):
13367 r"""__init__(OrderedTypeQuadPredicate self, std::string name="OrderedTypeQuadPredicate%1%") -> OrderedTypeQuadPredicate"""
13368 _IMP_core.OrderedTypeQuadPredicate_swiginit(self, _IMP_core.new_OrderedTypeQuadPredicate(*args))
13370 def do_get_inputs(self, m, pis):
13371 r"""do_get_inputs(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13372 return _IMP_core.OrderedTypeQuadPredicate_do_get_inputs(self, m, pis)
13374 def get_value(self, *args):
13376 get_value(OrderedTypeQuadPredicate self, IMP::core::ParticleTypes const & types) -> int
13377 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
13378 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13380 return _IMP_core.OrderedTypeQuadPredicate_get_value(self, *args)
13382 def get_value_index(self, *args):
13384 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13385 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13387 return _IMP_core.OrderedTypeQuadPredicate_get_value_index(self, *args)
13389 def get_version_info(self):
13390 r"""get_version_info(OrderedTypeQuadPredicate self) -> VersionInfo"""
13391 return _IMP_core.OrderedTypeQuadPredicate_get_version_info(self)
13392 __swig_destroy__ = _IMP_core.delete_OrderedTypeQuadPredicate
13395 r"""__str__(OrderedTypeQuadPredicate self) -> std::string"""
13396 return _IMP_core.OrderedTypeQuadPredicate___str__(self)
13398 def __repr__(self):
13399 r"""__repr__(OrderedTypeQuadPredicate self) -> std::string"""
13400 return _IMP_core.OrderedTypeQuadPredicate___repr__(self)
13404 return _object_cast_to_OrderedTypeQuadPredicate(o)
13408 _IMP_core.OrderedTypeQuadPredicate_swigregister(OrderedTypeQuadPredicate)
13410 r"""Proxy of C++ IMP::core::AllSameQuadPredicate class."""
13412 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13414 def __init__(self, *args):
13415 r"""__init__(AllSameQuadPredicate self, std::string name="AllSameQuadPredicate%1%") -> AllSameQuadPredicate"""
13416 _IMP_core.AllSameQuadPredicate_swiginit(self, _IMP_core.new_AllSameQuadPredicate(*args))
13418 def do_get_inputs(self, arg2, arg3):
13419 r"""do_get_inputs(AllSameQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13420 return _IMP_core.AllSameQuadPredicate_do_get_inputs(self, arg2, arg3)
13422 def get_value(self, *args):
13424 get_value(AllSameQuadPredicate self, IMP::ParticleQuad const & a) -> int
13425 get_value(AllSameQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13427 return _IMP_core.AllSameQuadPredicate_get_value(self, *args)
13429 def get_value_index(self, *args):
13431 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13432 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13434 return _IMP_core.AllSameQuadPredicate_get_value_index(self, *args)
13436 def get_version_info(self):
13437 r"""get_version_info(AllSameQuadPredicate self) -> VersionInfo"""
13438 return _IMP_core.AllSameQuadPredicate_get_version_info(self)
13439 __swig_destroy__ = _IMP_core.delete_AllSameQuadPredicate
13442 r"""__str__(AllSameQuadPredicate self) -> std::string"""
13443 return _IMP_core.AllSameQuadPredicate___str__(self)
13445 def __repr__(self):
13446 r"""__repr__(AllSameQuadPredicate self) -> std::string"""
13447 return _IMP_core.AllSameQuadPredicate___repr__(self)
13451 return _object_cast_to_AllSameQuadPredicate(o)
13454 def _get_as_binary(self):
13455 r"""_get_as_binary(AllSameQuadPredicate self) -> PyObject *"""
13456 return _IMP_core.AllSameQuadPredicate__get_as_binary(self)
13458 def _set_from_binary(self, p):
13459 r"""_set_from_binary(AllSameQuadPredicate self, PyObject * p)"""
13460 return _IMP_core.AllSameQuadPredicate__set_from_binary(self, p)
13462 def __getstate__(self):
13463 p = self._get_as_binary()
13464 if len(self.__dict__) > 1:
13465 d = self.__dict__.copy()
13470 def __setstate__(self, p):
13471 if not hasattr(self,
'this'):
13473 if isinstance(p, tuple):
13475 self.__dict__.update(d)
13476 return self._set_from_binary(p)
13480 _IMP_core.AllSameQuadPredicate_swigregister(AllSameQuadPredicate)
13482 r"""Proxy of C++ IMP::core::CoinFlipQuadPredicate class."""
13484 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13486 def __init__(self, *args):
13487 r"""__init__(CoinFlipQuadPredicate self, double p, std::string name="CoinFlipQuadPredicate%1%") -> CoinFlipQuadPredicate"""
13488 _IMP_core.CoinFlipQuadPredicate_swiginit(self, _IMP_core.new_CoinFlipQuadPredicate(*args))
13490 def do_get_inputs(self, arg2, arg3):
13491 r"""do_get_inputs(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13492 return _IMP_core.CoinFlipQuadPredicate_do_get_inputs(self, arg2, arg3)
13494 def get_value(self, *args):
13496 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuad const & a) -> int
13497 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13499 return _IMP_core.CoinFlipQuadPredicate_get_value(self, *args)
13501 def get_value_index(self, *args):
13503 get_value_index(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
13504 get_value_index(CoinFlipQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13506 return _IMP_core.CoinFlipQuadPredicate_get_value_index(self, *args)
13508 def get_version_info(self):
13509 r"""get_version_info(CoinFlipQuadPredicate self) -> VersionInfo"""
13510 return _IMP_core.CoinFlipQuadPredicate_get_version_info(self)
13511 __swig_destroy__ = _IMP_core.delete_CoinFlipQuadPredicate
13514 r"""__str__(CoinFlipQuadPredicate self) -> std::string"""
13515 return _IMP_core.CoinFlipQuadPredicate___str__(self)
13517 def __repr__(self):
13518 r"""__repr__(CoinFlipQuadPredicate self) -> std::string"""
13519 return _IMP_core.CoinFlipQuadPredicate___repr__(self)
13523 return _object_cast_to_CoinFlipQuadPredicate(o)
13527 _IMP_core.CoinFlipQuadPredicate_swigregister(CoinFlipQuadPredicate)
13529 r"""Proxy of C++ IMP::core::InBoundingBox3DSingletonPredicate class."""
13531 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13533 def __init__(self, *args):
13534 r"""__init__(InBoundingBox3DSingletonPredicate self, BoundingBox3D bb, std::string name="InBoundingBox3DSingletonPredicate%1%") -> InBoundingBox3DSingletonPredicate"""
13535 _IMP_core.InBoundingBox3DSingletonPredicate_swiginit(self, _IMP_core.new_InBoundingBox3DSingletonPredicate(*args))
13537 def do_get_inputs(self, m, pi):
13538 r"""do_get_inputs(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13539 return _IMP_core.InBoundingBox3DSingletonPredicate_do_get_inputs(self, m, pi)
13541 def get_value(self, *args):
13543 get_value(InBoundingBox3DSingletonPredicate self, Particle a) -> int
13544 get_value(InBoundingBox3DSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
13546 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value(self, *args)
13548 def get_value_index(self, *args):
13550 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, ParticleIndex pi) -> int
13551 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
13553 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value_index(self, *args)
13555 def get_version_info(self):
13556 r"""get_version_info(InBoundingBox3DSingletonPredicate self) -> VersionInfo"""
13557 return _IMP_core.InBoundingBox3DSingletonPredicate_get_version_info(self)
13558 __swig_destroy__ = _IMP_core.delete_InBoundingBox3DSingletonPredicate
13561 r"""__str__(InBoundingBox3DSingletonPredicate self) -> std::string"""
13562 return _IMP_core.InBoundingBox3DSingletonPredicate___str__(self)
13564 def __repr__(self):
13565 r"""__repr__(InBoundingBox3DSingletonPredicate self) -> std::string"""
13566 return _IMP_core.InBoundingBox3DSingletonPredicate___repr__(self)
13570 return _object_cast_to_InBoundingBox3DSingletonPredicate(o)
13574 _IMP_core.InBoundingBox3DSingletonPredicate_swigregister(InBoundingBox3DSingletonPredicate)
13576 r"""Proxy of C++ IMP::core::AttributeSingletonPredicate class."""
13578 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13580 def __init__(self, *args):
13581 r"""__init__(AttributeSingletonPredicate self, IntKey bb, std::string name="AttributeSingletonPredicate%1%") -> AttributeSingletonPredicate"""
13582 _IMP_core.AttributeSingletonPredicate_swiginit(self, _IMP_core.new_AttributeSingletonPredicate(*args))
13584 def do_get_inputs(self, m, pi):
13585 r"""do_get_inputs(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13586 return _IMP_core.AttributeSingletonPredicate_do_get_inputs(self, m, pi)
13588 def get_value(self, *args):
13590 get_value(AttributeSingletonPredicate self, Particle a) -> int
13591 get_value(AttributeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
13593 return _IMP_core.AttributeSingletonPredicate_get_value(self, *args)
13595 def get_value_index(self, *args):
13597 get_value_index(AttributeSingletonPredicate self, Model m, ParticleIndex pi) -> int
13598 get_value_index(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
13600 return _IMP_core.AttributeSingletonPredicate_get_value_index(self, *args)
13602 def get_version_info(self):
13603 r"""get_version_info(AttributeSingletonPredicate self) -> VersionInfo"""
13604 return _IMP_core.AttributeSingletonPredicate_get_version_info(self)
13605 __swig_destroy__ = _IMP_core.delete_AttributeSingletonPredicate
13608 r"""__str__(AttributeSingletonPredicate self) -> std::string"""
13609 return _IMP_core.AttributeSingletonPredicate___str__(self)
13611 def __repr__(self):
13612 r"""__repr__(AttributeSingletonPredicate self) -> std::string"""
13613 return _IMP_core.AttributeSingletonPredicate___repr__(self)
13617 return _object_cast_to_AttributeSingletonPredicate(o)
13621 _IMP_core.AttributeSingletonPredicate_swigregister(AttributeSingletonPredicate)
13623 r"""Proxy of C++ IMP::core::IsCollisionPairPredicate class."""
13625 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13627 def __init__(self, *args):
13628 r"""__init__(IsCollisionPairPredicate self, std::string name="CollisionPairPredicate%1%") -> IsCollisionPairPredicate"""
13629 _IMP_core.IsCollisionPairPredicate_swiginit(self, _IMP_core.new_IsCollisionPairPredicate(*args))
13631 def do_get_inputs(self, m, pi):
13632 r"""do_get_inputs(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13633 return _IMP_core.IsCollisionPairPredicate_do_get_inputs(self, m, pi)
13635 def get_value(self, *args):
13637 get_value(IsCollisionPairPredicate self, IMP::ParticlePair const & a) -> int
13638 get_value(IsCollisionPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
13640 return _IMP_core.IsCollisionPairPredicate_get_value(self, *args)
13642 def get_value_index(self, *args):
13644 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
13645 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
13647 return _IMP_core.IsCollisionPairPredicate_get_value_index(self, *args)
13649 def get_version_info(self):
13650 r"""get_version_info(IsCollisionPairPredicate self) -> VersionInfo"""
13651 return _IMP_core.IsCollisionPairPredicate_get_version_info(self)
13652 __swig_destroy__ = _IMP_core.delete_IsCollisionPairPredicate
13655 r"""__str__(IsCollisionPairPredicate self) -> std::string"""
13656 return _IMP_core.IsCollisionPairPredicate___str__(self)
13658 def __repr__(self):
13659 r"""__repr__(IsCollisionPairPredicate self) -> std::string"""
13660 return _IMP_core.IsCollisionPairPredicate___repr__(self)
13664 return _object_cast_to_IsCollisionPairPredicate(o)
13668 _IMP_core.IsCollisionPairPredicate_swigregister(IsCollisionPairPredicate)
13669 class AngleRestraint(TripletRestraint):
13670 r"""Proxy of C++ IMP::core::AngleRestraint class."""
13672 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13674 def __init__(self, *args):
13676 __init__(AngleRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3) -> AngleRestraint
13677 __init__(AngleRestraint self) -> AngleRestraint
13679 _IMP_core.AngleRestraint_swiginit(self, _IMP_core.new_AngleRestraint(*args))
13680 __swig_destroy__ = _IMP_core.delete_AngleRestraint
13683 r"""__str__(AngleRestraint self) -> std::string"""
13684 return _IMP_core.AngleRestraint___str__(self)
13686 def __repr__(self):
13687 r"""__repr__(AngleRestraint self) -> std::string"""
13688 return _IMP_core.AngleRestraint___repr__(self)
13692 return _object_cast_to_AngleRestraint(o)
13695 def _get_as_binary(self):
13696 r"""_get_as_binary(AngleRestraint self) -> PyObject *"""
13697 return _IMP_core.AngleRestraint__get_as_binary(self)
13699 def _set_from_binary(self, p):
13700 r"""_set_from_binary(AngleRestraint self, PyObject * p)"""
13701 return _IMP_core.AngleRestraint__set_from_binary(self, p)
13703 def __getstate__(self):
13704 p = self._get_as_binary()
13705 if len(self.__dict__) > 1:
13706 d = self.__dict__.copy()
13711 def __setstate__(self, p):
13712 if not hasattr(self,
'this'):
13714 if isinstance(p, tuple):
13716 self.__dict__.update(d)
13717 return self._set_from_binary(p)
13721 _IMP_core.AngleRestraint_swigregister(AngleRestraint)
13722 class DihedralRestraint(QuadRestraint):
13723 r"""Proxy of C++ IMP::core::DihedralRestraint class."""
13725 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13727 def __init__(self, *args):
13729 __init__(DihedralRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3, _ParticleIndexAdaptor p4) -> DihedralRestraint
13730 __init__(DihedralRestraint self) -> DihedralRestraint
13732 _IMP_core.DihedralRestraint_swiginit(self, _IMP_core.new_DihedralRestraint(*args))
13733 __swig_destroy__ = _IMP_core.delete_DihedralRestraint
13736 r"""__str__(DihedralRestraint self) -> std::string"""
13737 return _IMP_core.DihedralRestraint___str__(self)
13739 def __repr__(self):
13740 r"""__repr__(DihedralRestraint self) -> std::string"""
13741 return _IMP_core.DihedralRestraint___repr__(self)
13745 return _object_cast_to_DihedralRestraint(o)
13748 def _get_as_binary(self):
13749 r"""_get_as_binary(DihedralRestraint self) -> PyObject *"""
13750 return _IMP_core.DihedralRestraint__get_as_binary(self)
13752 def _set_from_binary(self, p):
13753 r"""_set_from_binary(DihedralRestraint self, PyObject * p)"""
13754 return _IMP_core.DihedralRestraint__set_from_binary(self, p)
13756 def __getstate__(self):
13757 p = self._get_as_binary()
13758 if len(self.__dict__) > 1:
13759 d = self.__dict__.copy()
13764 def __setstate__(self, p):
13765 if not hasattr(self,
'this'):
13767 if isinstance(p, tuple):
13769 self.__dict__.update(d)
13770 return self._set_from_binary(p)
13774 _IMP_core.DihedralRestraint_swigregister(DihedralRestraint)
13775 class RigidBodyMover(MonteCarloMover):
13776 r"""Proxy of C++ IMP::core::RigidBodyMover class."""
13778 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13780 def __init__(self, *args):
13782 __init__(RigidBodyMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation) -> RigidBodyMover
13783 __init__(RigidBodyMover self) -> RigidBodyMover
13785 _IMP_core.RigidBodyMover_swiginit(self, _IMP_core.new_RigidBodyMover(*args))
13787 def set_maximum_translation(self, mt):
13788 r"""set_maximum_translation(RigidBodyMover self, IMP::Float mt)"""
13789 return _IMP_core.RigidBodyMover_set_maximum_translation(self, mt)
13791 def set_maximum_rotation(self, mr):
13792 r"""set_maximum_rotation(RigidBodyMover self, IMP::Float mr)"""
13793 return _IMP_core.RigidBodyMover_set_maximum_rotation(self, mr)
13795 def get_maximum_translation(self):
13796 r"""get_maximum_translation(RigidBodyMover self) -> IMP::Float"""
13797 return _IMP_core.RigidBodyMover_get_maximum_translation(self)
13799 def get_maximum_rotation(self):
13800 r"""get_maximum_rotation(RigidBodyMover self) -> IMP::Float"""
13801 return _IMP_core.RigidBodyMover_get_maximum_rotation(self)
13804 r"""get_index(RigidBodyMover self) -> ParticleIndex"""
13805 return _IMP_core.RigidBodyMover_get_index(self)
13807 def get_version_info(self):
13808 r"""get_version_info(RigidBodyMover self) -> VersionInfo"""
13809 return _IMP_core.RigidBodyMover_get_version_info(self)
13810 __swig_destroy__ = _IMP_core.delete_RigidBodyMover
13813 r"""__str__(RigidBodyMover self) -> std::string"""
13814 return _IMP_core.RigidBodyMover___str__(self)
13816 def __repr__(self):
13817 r"""__repr__(RigidBodyMover self) -> std::string"""
13818 return _IMP_core.RigidBodyMover___repr__(self)
13822 return _object_cast_to_RigidBodyMover(o)
13825 def _get_as_binary(self):
13826 r"""_get_as_binary(RigidBodyMover self) -> PyObject *"""
13827 return _IMP_core.RigidBodyMover__get_as_binary(self)
13829 def _set_from_binary(self, p):
13830 r"""_set_from_binary(RigidBodyMover self, PyObject * p)"""
13831 return _IMP_core.RigidBodyMover__set_from_binary(self, p)
13833 def __getstate__(self):
13834 p = self._get_as_binary()
13835 if len(self.__dict__) > 1:
13836 d = self.__dict__.copy()
13841 def __setstate__(self, p):
13842 if not hasattr(self,
'this'):
13844 if isinstance(p, tuple):
13846 self.__dict__.update(d)
13847 return self._set_from_binary(p)
13850 def _get_jax(self, space):
13852 import IMP.core._jax_rigid
13853 from IMP.algebra._jax_util
import (get_random_vector_on_3d_sphere,
13854 get_random_vector_in_3d_sphere,
13855 get_rotation_about_normalized_axis,
13856 _quaternion_multiply)
13857 max_angle = self.get_maximum_rotation()
13858 max_translation = self.get_maximum_translation()
13859 particle_index = self.get_index()
13860 body_index = IMP.core._jax_rigid._get_rigid_body_index(
13861 self.get_model(), self.get_index())
13863 def init_func(key):
13866 def propose_func(jm, key):
13867 body = jm[
'rigid_bodies'].bodies[body_index]
13868 tf = body.get_transformation(jm)
13870 if max_translation > 0:
13871 key, subkey = jax.random.split(key)
13872 tf.translation = space.shift(
13874 get_random_vector_in_3d_sphere(subkey, max_translation)[0])
13876 key, subkey1, subkey2 = jax.random.split(key, 3)
13877 axis_norm = get_random_vector_on_3d_sphere(subkey1, 1.0)[0]
13878 angle = jax.random.uniform(
13879 subkey2, minval=-max_angle, maxval=max_angle)
13881 tf.rotation = _quaternion_multiply(rotation, tf.rotation)
13882 jm = body.set_transformation_lazy(tf, jm)
13883 return jm, key, 1.0
13885 return self._wrap_jax(init_func, propose_func, keys=[
'rigid_bodies'])
13889 _IMP_core.RigidBodyMover_swigregister(RigidBodyMover)
13890 class RigidBodyTunneler(MonteCarloMover):
13891 r"""Proxy of C++ IMP::core::RigidBodyTunneler class."""
13893 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13895 def __init__(self, m, pis, ref, k, move_probability=1.):
13896 r"""__init__(RigidBodyTunneler self, Model m, IMP::ParticleIndexes pis, ParticleIndex ref, double k, double move_probability=1.) -> RigidBodyTunneler"""
13897 _IMP_core.RigidBodyTunneler_swiginit(self, _IMP_core.new_RigidBodyTunneler(m, pis, ref, k, move_probability))
13899 def add_entry_point(self, fl):
13900 r"""add_entry_point(RigidBodyTunneler self, IMP::Floats fl)"""
13901 return _IMP_core.RigidBodyTunneler_add_entry_point(self, fl)
13903 def reset_stats(self):
13904 r"""reset_stats(RigidBodyTunneler self)"""
13905 return _IMP_core.RigidBodyTunneler_reset_stats(self)
13907 def get_number_of_rejected_moves(self):
13908 r"""get_number_of_rejected_moves(RigidBodyTunneler self) -> unsigned int"""
13909 return _IMP_core.RigidBodyTunneler_get_number_of_rejected_moves(self)
13911 def get_number_of_proposed_moves(self):
13912 r"""get_number_of_proposed_moves(RigidBodyTunneler self) -> unsigned int"""
13913 return _IMP_core.RigidBodyTunneler_get_number_of_proposed_moves(self)
13915 def get_number_of_impossible_moves(self):
13916 r"""get_number_of_impossible_moves(RigidBodyTunneler self) -> unsigned int"""
13917 return _IMP_core.RigidBodyTunneler_get_number_of_impossible_moves(self)
13919 def get_number_of_calls(self):
13920 r"""get_number_of_calls(RigidBodyTunneler self) -> unsigned int"""
13921 return _IMP_core.RigidBodyTunneler_get_number_of_calls(self)
13924 def get_reduced_coordinates(*args):
13926 get_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref) -> IMP::Floats
13927 get_reduced_coordinates(Model m, ParticleIndex pi) -> IMP::Floats
13929 return _IMP_core.RigidBodyTunneler_get_reduced_coordinates(*args)
13932 def set_reduced_coordinates(m, target, ref, coords):
13933 r"""set_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref, IMP::Floats coords)"""
13934 return _IMP_core.RigidBodyTunneler_set_reduced_coordinates(m, target, ref, coords)
13936 def get_version_info(self):
13937 r"""get_version_info(RigidBodyTunneler self) -> VersionInfo"""
13938 return _IMP_core.RigidBodyTunneler_get_version_info(self)
13939 __swig_destroy__ = _IMP_core.delete_RigidBodyTunneler
13942 r"""__str__(RigidBodyTunneler self) -> std::string"""
13943 return _IMP_core.RigidBodyTunneler___str__(self)
13945 def __repr__(self):
13946 r"""__repr__(RigidBodyTunneler self) -> std::string"""
13947 return _IMP_core.RigidBodyTunneler___repr__(self)
13951 return _object_cast_to_RigidBodyTunneler(o)
13955 _IMP_core.RigidBodyTunneler_swigregister(RigidBodyTunneler)
13957 r"""Proxy of C++ IMP::core::RigidBodyUmbrella class."""
13959 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13961 def __init__(self, *args):
13963 __init__(RigidBodyUmbrella self, Model m, ParticleIndex pi, ParticleIndex ref, IMP::Floats x0, double alpha, double k, std::string name="RigidBodyUmbrella %1%") -> RigidBodyUmbrella
13964 __init__(RigidBodyUmbrella self, Model m, ParticleIndex pi, ParticleIndex ref, double _lambda, IMP::Floats x1, IMP::Floats x2, double alpha, double k, std::string name="RigidBodyUmbrella %1%") -> RigidBodyUmbrella
13966 _IMP_core.RigidBodyUmbrella_swiginit(self, _IMP_core.new_RigidBodyUmbrella(*args))
13968 def set_x0(self, *args):
13970 set_x0(RigidBodyUmbrella self, IMP::Floats x0)
13971 set_x0(RigidBodyUmbrella self, double _lambda, IMP::Floats x1, IMP::Floats x2)
13973 return _IMP_core.RigidBodyUmbrella_set_x0(self, *args)
13976 r"""get_x0(RigidBodyUmbrella self) -> IMP::Floats"""
13977 return _IMP_core.RigidBodyUmbrella_get_x0(self)
13980 r"""get_x(RigidBodyUmbrella self) -> IMP::Floats"""
13981 return _IMP_core.RigidBodyUmbrella_get_x(self)
13983 def set_alpha(self, alpha):
13984 r"""set_alpha(RigidBodyUmbrella self, double alpha)"""
13985 return _IMP_core.RigidBodyUmbrella_set_alpha(self, alpha)
13987 def set_k(self, k):
13988 r"""set_k(RigidBodyUmbrella self, double k)"""
13989 return _IMP_core.RigidBodyUmbrella_set_k(self, k)
13991 def get_version_info(self):
13992 r"""get_version_info(RigidBodyUmbrella self) -> VersionInfo"""
13993 return _IMP_core.RigidBodyUmbrella_get_version_info(self)
13994 __swig_destroy__ = _IMP_core.delete_RigidBodyUmbrella
13997 r"""__str__(RigidBodyUmbrella self) -> std::string"""
13998 return _IMP_core.RigidBodyUmbrella___str__(self)
14000 def __repr__(self):
14001 r"""__repr__(RigidBodyUmbrella self) -> std::string"""
14002 return _IMP_core.RigidBodyUmbrella___repr__(self)
14006 return _object_cast_to_RigidBodyUmbrella(o)
14010 _IMP_core.RigidBodyUmbrella_swigregister(RigidBodyUmbrella)
14012 r"""Proxy of C++ IMP::core::VolumeRestraint class."""
14014 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14016 def __init__(self, f, sc, volume):
14017 r"""__init__(VolumeRestraint self, UnaryFunction f, SingletonContainer sc, double volume) -> VolumeRestraint"""
14018 _IMP_core.VolumeRestraint_swiginit(self, _IMP_core.new_VolumeRestraint(f, sc, volume))
14020 def do_get_inputs(self):
14021 r"""do_get_inputs(VolumeRestraint self) -> IMP::ModelObjectsTemp"""
14022 return _IMP_core.VolumeRestraint_do_get_inputs(self)
14024 def get_version_info(self):
14025 r"""get_version_info(VolumeRestraint self) -> VersionInfo"""
14026 return _IMP_core.VolumeRestraint_get_version_info(self)
14027 __swig_destroy__ = _IMP_core.delete_VolumeRestraint
14030 r"""__str__(VolumeRestraint self) -> std::string"""
14031 return _IMP_core.VolumeRestraint___str__(self)
14033 def __repr__(self):
14034 r"""__repr__(VolumeRestraint self) -> std::string"""
14035 return _IMP_core.VolumeRestraint___repr__(self)
14039 return _object_cast_to_VolumeRestraint(o)
14043 _IMP_core.VolumeRestraint_swigregister(VolumeRestraint)
14046 r"""get_centroid(IMP::core::XYZs const & ps) -> Vector3D"""
14047 return _IMP_core.get_centroid(ps)
14050 r"""get_bounding_box(IMP::core::XYZRs const & ps) -> BoundingBox3D"""
14051 return _IMP_core.get_bounding_box(ps)
14053 r"""Proxy of C++ IMP::core::MoveStatisticsScoreState class."""
14055 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14057 def __init__(self, ps):
14058 r"""__init__(MoveStatisticsScoreState self, IMP::ParticlesTemp const & ps) -> MoveStatisticsScoreState"""
14059 _IMP_core.MoveStatisticsScoreState_swiginit(self, _IMP_core.new_MoveStatisticsScoreState(ps))
14061 def show_statistics(self, *args):
14062 r"""show_statistics(MoveStatisticsScoreState self, _ostream out=std::cout)"""
14063 return _IMP_core.MoveStatisticsScoreState_show_statistics(self, *args)
14066 r"""reset(MoveStatisticsScoreState self)"""
14067 return _IMP_core.MoveStatisticsScoreState_reset(self)
14069 def do_before_evaluate(self):
14070 r"""do_before_evaluate(MoveStatisticsScoreState self)"""
14071 return _IMP_core.MoveStatisticsScoreState_do_before_evaluate(self)
14073 def do_after_evaluate(self, da):
14074 r"""do_after_evaluate(MoveStatisticsScoreState self, DerivativeAccumulator da)"""
14075 return _IMP_core.MoveStatisticsScoreState_do_after_evaluate(self, da)
14077 def do_get_inputs(self):
14078 r"""do_get_inputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
14079 return _IMP_core.MoveStatisticsScoreState_do_get_inputs(self)
14081 def do_get_outputs(self):
14082 r"""do_get_outputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
14083 return _IMP_core.MoveStatisticsScoreState_do_get_outputs(self)
14085 def get_version_info(self):
14086 r"""get_version_info(MoveStatisticsScoreState self) -> VersionInfo"""
14087 return _IMP_core.MoveStatisticsScoreState_get_version_info(self)
14088 __swig_destroy__ = _IMP_core.delete_MoveStatisticsScoreState
14091 r"""__str__(MoveStatisticsScoreState self) -> std::string"""
14092 return _IMP_core.MoveStatisticsScoreState___str__(self)
14094 def __repr__(self):
14095 r"""__repr__(MoveStatisticsScoreState self) -> std::string"""
14096 return _IMP_core.MoveStatisticsScoreState___repr__(self)
14100 return _object_cast_to_MoveStatisticsScoreState(o)
14104 _IMP_core.MoveStatisticsScoreState_swigregister(MoveStatisticsScoreState)
14105 IMP_PARTICLE_TYPE_INDEX = _IMP_core.IMP_PARTICLE_TYPE_INDEX
14108 r"""Proxy of C++ IMP::core::Typed class."""
14110 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14113 def get_type_key():
14114 r"""get_type_key() -> IntKey"""
14115 return _IMP_core.Typed_get_type_key()
14117 def __init__(self, *args):
14119 __init__(Typed self) -> Typed
14120 __init__(Typed self, Model m, ParticleIndex id) -> Typed
14121 __init__(Typed self, _ParticleAdaptor d) -> Typed
14123 _IMP_core.Typed_swiginit(self, _IMP_core.new_Typed(*args))
14125 def show(self, *args):
14126 r"""show(Typed self, _ostream out=std::cout)"""
14127 return _IMP_core.Typed_show(self, *args)
14130 def setup_particle(*args):
14132 setup_particle(Model m, ParticleIndex pi, ParticleType t) -> Typed
14133 setup_particle(_ParticleAdaptor pa, ParticleType t) -> Typed
14135 return _IMP_core.Typed_setup_particle(*args)
14138 def get_is_setup(*args):
14140 get_is_setup(_ParticleAdaptor p) -> bool
14141 get_is_setup(Model m, ParticleIndex pi) -> bool
14143 return _IMP_core.Typed_get_is_setup(*args)
14145 def get_type(self):
14146 r"""get_type(Typed self) -> ParticleType"""
14147 return _IMP_core.Typed_get_type(self)
14149 def set_type(self, pt):
14150 r"""set_type(Typed self, ParticleType pt)"""
14151 return _IMP_core.Typed_set_type(self, pt)
14153 def add_attribute(self, *args):
14155 add_attribute(Typed self, FloatKey k, IMP::Float v, bool opt)
14156 add_attribute(Typed self, FloatKey a0, IMP::Float a1)
14157 add_attribute(Typed self, IntKey a0, IMP::Int a1)
14158 add_attribute(Typed self, FloatsKey a0, IMP::Floats a1)
14159 add_attribute(Typed self, IntsKey a0, IMP::Ints a1)
14160 add_attribute(Typed self, StringKey a0, IMP::String a1)
14161 add_attribute(Typed self, ParticleIndexKey a0, Particle a1)
14162 add_attribute(Typed self, ObjectKey a0, Object a1)
14163 add_attribute(Typed self, SparseFloatKey a0, IMP::Float a1)
14164 add_attribute(Typed self, SparseIntKey a0, IMP::Int a1)
14165 add_attribute(Typed self, SparseStringKey a0, IMP::String a1)
14166 add_attribute(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
14168 return _IMP_core.Typed_add_attribute(self, *args)
14170 def get_value(self, *args):
14172 get_value(Typed self, FloatKey a0) -> IMP::Float
14173 get_value(Typed self, IntKey a0) -> IMP::Int
14174 get_value(Typed self, FloatsKey a0) -> IMP::Floats
14175 get_value(Typed self, IntsKey a0) -> IMP::Ints
14176 get_value(Typed self, StringKey a0) -> IMP::String
14177 get_value(Typed self, ParticleIndexKey a0) -> Particle
14178 get_value(Typed self, ObjectKey a0) -> Object
14179 get_value(Typed self, SparseFloatKey a0) -> IMP::Float
14180 get_value(Typed self, SparseIntKey a0) -> IMP::Int
14181 get_value(Typed self, SparseStringKey a0) -> IMP::String
14182 get_value(Typed self, SparseParticleIndexKey a0) -> ParticleIndex
14184 return _IMP_core.Typed_get_value(self, *args)
14186 def set_value(self, *args):
14188 set_value(Typed self, FloatKey a0, IMP::Float a1)
14189 set_value(Typed self, IntKey a0, IMP::Int a1)
14190 set_value(Typed self, FloatsKey a0, IMP::Floats a1)
14191 set_value(Typed self, IntsKey a0, IMP::Ints a1)
14192 set_value(Typed self, StringKey a0, IMP::String a1)
14193 set_value(Typed self, ParticleIndexKey a0, Particle a1)
14194 set_value(Typed self, ObjectKey a0, Object a1)
14195 set_value(Typed self, SparseFloatKey a0, IMP::Float a1)
14196 set_value(Typed self, SparseIntKey a0, IMP::Int a1)
14197 set_value(Typed self, SparseStringKey a0, IMP::String a1)
14198 set_value(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
14200 return _IMP_core.Typed_set_value(self, *args)
14202 def remove_attribute(self, *args):
14204 remove_attribute(Typed self, FloatKey a0)
14205 remove_attribute(Typed self, IntKey a0)
14206 remove_attribute(Typed self, FloatsKey a0)
14207 remove_attribute(Typed self, IntsKey a0)
14208 remove_attribute(Typed self, StringKey a0)
14209 remove_attribute(Typed self, ParticleIndexKey a0)
14210 remove_attribute(Typed self, ObjectKey a0)
14211 remove_attribute(Typed self, SparseFloatKey a0)
14212 remove_attribute(Typed self, SparseIntKey a0)
14213 remove_attribute(Typed self, SparseStringKey a0)
14214 remove_attribute(Typed self, SparseParticleIndexKey a0)
14216 return _IMP_core.Typed_remove_attribute(self, *args)
14218 def has_attribute(self, *args):
14220 has_attribute(Typed self, FloatKey a0) -> bool
14221 has_attribute(Typed self, IntKey a0) -> bool
14222 has_attribute(Typed self, FloatsKey a0) -> bool
14223 has_attribute(Typed self, IntsKey a0) -> bool
14224 has_attribute(Typed self, StringKey a0) -> bool
14225 has_attribute(Typed self, ParticleIndexKey a0) -> bool
14226 has_attribute(Typed self, ObjectKey a0) -> bool
14227 has_attribute(Typed self, SparseFloatKey a0) -> bool
14228 has_attribute(Typed self, SparseIntKey a0) -> bool
14229 has_attribute(Typed self, SparseStringKey a0) -> bool
14230 has_attribute(Typed self, SparseParticleIndexKey a0) -> bool
14232 return _IMP_core.Typed_has_attribute(self, *args)
14234 def get_derivative(self, a0):
14235 r"""get_derivative(Typed self, FloatKey a0) -> double"""
14236 return _IMP_core.Typed_get_derivative(self, a0)
14238 def get_name(self):
14239 r"""get_name(Typed self) -> std::string"""
14240 return _IMP_core.Typed_get_name(self)
14242 def clear_caches(self):
14243 r"""clear_caches(Typed self)"""
14244 return _IMP_core.Typed_clear_caches(self)
14246 def set_name(self, a0):
14247 r"""set_name(Typed self, std::string a0)"""
14248 return _IMP_core.Typed_set_name(self, a0)
14251 r"""set_check_level(Typed self, IMP::CheckLevel a0)"""
14252 return _IMP_core.Typed_set_check_level(self, a0)
14254 def add_to_derivative(self, a0, a1, a2):
14255 r"""add_to_derivative(Typed self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14256 return _IMP_core.Typed_add_to_derivative(self, a0, a1, a2)
14258 def set_is_optimized(self, a0, a1):
14259 r"""set_is_optimized(Typed self, FloatKey a0, bool a1)"""
14260 return _IMP_core.Typed_set_is_optimized(self, a0, a1)
14262 def get_is_optimized(self, a0):
14263 r"""get_is_optimized(Typed self, FloatKey a0) -> bool"""
14264 return _IMP_core.Typed_get_is_optimized(self, a0)
14267 r"""get_check_level(Typed self) -> IMP::CheckLevel"""
14268 return _IMP_core.Typed_get_check_level(self)
14270 def __eq__(self, *args):
14272 __eq__(Typed self, Typed o) -> bool
14273 __eq__(Typed self, Particle d) -> bool
14275 return _IMP_core.Typed___eq__(self, *args)
14277 def __ne__(self, *args):
14279 __ne__(Typed self, Typed o) -> bool
14280 __ne__(Typed self, Particle d) -> bool
14282 return _IMP_core.Typed___ne__(self, *args)
14284 def __le__(self, *args):
14286 __le__(Typed self, Typed o) -> bool
14287 __le__(Typed self, Particle d) -> bool
14289 return _IMP_core.Typed___le__(self, *args)
14291 def __lt__(self, *args):
14293 __lt__(Typed self, Typed o) -> bool
14294 __lt__(Typed self, Particle d) -> bool
14296 return _IMP_core.Typed___lt__(self, *args)
14298 def __ge__(self, *args):
14300 __ge__(Typed self, Typed o) -> bool
14301 __ge__(Typed self, Particle d) -> bool
14303 return _IMP_core.Typed___ge__(self, *args)
14305 def __gt__(self, *args):
14307 __gt__(Typed self, Typed o) -> bool
14308 __gt__(Typed self, Particle d) -> bool
14310 return _IMP_core.Typed___gt__(self, *args)
14312 def __hash__(self):
14313 r"""__hash__(Typed self) -> std::size_t"""
14314 return _IMP_core.Typed___hash__(self)
14317 r"""__str__(Typed self) -> std::string"""
14318 return _IMP_core.Typed___str__(self)
14320 def __repr__(self):
14321 r"""__repr__(Typed self) -> std::string"""
14322 return _IMP_core.Typed___repr__(self)
14324 def _get_as_binary(self):
14325 r"""_get_as_binary(Typed self) -> PyObject *"""
14326 return _IMP_core.Typed__get_as_binary(self)
14328 def _set_from_binary(self, p):
14329 r"""_set_from_binary(Typed self, PyObject * p)"""
14330 return _IMP_core.Typed__set_from_binary(self, p)
14332 def __getstate__(self):
14333 p = self._get_as_binary()
14334 if len(self.__dict__) > 1:
14335 d = self.__dict__.copy()
14340 def __setstate__(self, p):
14341 if not hasattr(self,
'this'):
14343 if isinstance(p, tuple):
14345 self.__dict__.update(d)
14346 return self._set_from_binary(p)
14348 __swig_destroy__ = _IMP_core.delete_Typed
14351 _IMP_core.Typed_swigregister(Typed)
14353 def __lshift__(*args):
14355 __lshift__(_ostream out, XYZ n) -> _ostream
14356 __lshift__(_ostream out, XYZR n) -> _ostream
14357 __lshift__(_ostream out, Direction n) -> _ostream
14358 __lshift__(_ostream out, DirectionAngle n) -> _ostream
14359 __lshift__(_ostream out, Surface n) -> _ostream
14360 __lshift__(_ostream out, Centroid n) -> _ostream
14361 __lshift__(_ostream out, Cover n) -> _ostream
14362 __lshift__(_ostream out, Reference n) -> _ostream
14363 __lshift__(_ostream out, RigidMember n) -> _ostream
14364 __lshift__(_ostream out, RigidBody n) -> _ostream
14365 __lshift__(_ostream out, Gaussian n) -> _ostream
14366 __lshift__(_ostream out, Typed n) -> _ostream
14368 return _IMP_core.__lshift__(*args)
14370 r"""Proxy of C++ IMP::core::WriteRestraintScoresOptimizerState class."""
14372 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14374 def __init__(self, rs, out):
14375 r"""__init__(WriteRestraintScoresOptimizerState self, IMP::Restraints const & rs, TextOutput out) -> WriteRestraintScoresOptimizerState"""
14376 _IMP_core.WriteRestraintScoresOptimizerState_swiginit(self, _IMP_core.new_WriteRestraintScoresOptimizerState(rs, out))
14378 def get_version_info(self):
14379 r"""get_version_info(WriteRestraintScoresOptimizerState self) -> VersionInfo"""
14380 return _IMP_core.WriteRestraintScoresOptimizerState_get_version_info(self)
14381 __swig_destroy__ = _IMP_core.delete_WriteRestraintScoresOptimizerState
14384 r"""__str__(WriteRestraintScoresOptimizerState self) -> std::string"""
14385 return _IMP_core.WriteRestraintScoresOptimizerState___str__(self)
14387 def __repr__(self):
14388 r"""__repr__(WriteRestraintScoresOptimizerState self) -> std::string"""
14389 return _IMP_core.WriteRestraintScoresOptimizerState___repr__(self)
14393 return _object_cast_to_WriteRestraintScoresOptimizerState(o)
14397 _IMP_core.WriteRestraintScoresOptimizerState_swigregister(WriteRestraintScoresOptimizerState)
14400 r"""assign_blame(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, FloatKey attribute)"""
14401 return _IMP_core.assign_blame(rs, ps, attribute)
14404 r"""create_blame_geometries(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, double max=NO_MAX, std::string name=std::string()) -> IMP::display::Geometries"""
14405 return _IMP_core.create_blame_geometries(*args)
14407 r"""Proxy of C++ IMP::core::MultipleBinormalRestraint class."""
14409 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14411 def __init__(self, m, q1, q2):
14412 r"""__init__(MultipleBinormalRestraint self, Model m, IMP::ParticleIndexQuad const & q1, IMP::ParticleIndexQuad const & q2) -> MultipleBinormalRestraint"""
14413 _IMP_core.MultipleBinormalRestraint_swiginit(self, _IMP_core.new_MultipleBinormalRestraint(m, q1, q2))
14415 def add_term(self, term):
14416 r"""add_term(MultipleBinormalRestraint self, BinormalTerm term)"""
14417 return _IMP_core.MultipleBinormalRestraint_add_term(self, term)
14419 def do_get_inputs(self):
14420 r"""do_get_inputs(MultipleBinormalRestraint self) -> IMP::ModelObjectsTemp"""
14421 return _IMP_core.MultipleBinormalRestraint_do_get_inputs(self)
14423 def get_version_info(self):
14424 r"""get_version_info(MultipleBinormalRestraint self) -> VersionInfo"""
14425 return _IMP_core.MultipleBinormalRestraint_get_version_info(self)
14426 __swig_destroy__ = _IMP_core.delete_MultipleBinormalRestraint
14429 r"""__str__(MultipleBinormalRestraint self) -> std::string"""
14430 return _IMP_core.MultipleBinormalRestraint___str__(self)
14432 def __repr__(self):
14433 r"""__repr__(MultipleBinormalRestraint self) -> std::string"""
14434 return _IMP_core.MultipleBinormalRestraint___repr__(self)
14438 return _object_cast_to_MultipleBinormalRestraint(o)
14442 _IMP_core.MultipleBinormalRestraint_swigregister(MultipleBinormalRestraint)
14443 class BinormalTerm(object):
14444 r"""Proxy of C++ IMP::core::BinormalTerm class."""
14446 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14448 def __init__(self):
14449 r"""__init__(BinormalTerm self) -> BinormalTerm"""
14450 _IMP_core.BinormalTerm_swiginit(self, _IMP_core.new_BinormalTerm())
14452 def set_correlation(self, correlation):
14453 r"""set_correlation(BinormalTerm self, double correlation)"""
14454 return _IMP_core.BinormalTerm_set_correlation(self, correlation)
14456 def set_weight(self, weight):
14457 r"""set_weight(BinormalTerm self, double weight)"""
14458 return _IMP_core.BinormalTerm_set_weight(self, weight)
14460 def set_means(self, means):
14461 r"""set_means(BinormalTerm self, IMP::FloatPair means)"""
14462 return _IMP_core.BinormalTerm_set_means(self, means)
14464 def set_standard_deviations(self, stdevs):
14465 r"""set_standard_deviations(BinormalTerm self, IMP::FloatPair stdevs)"""
14466 return _IMP_core.BinormalTerm_set_standard_deviations(self, stdevs)
14468 def show(self, *args):
14469 r"""show(BinormalTerm self, _ostream out=std::cout)"""
14470 return _IMP_core.BinormalTerm_show(self, *args)
14473 r"""__str__(BinormalTerm self) -> std::string"""
14474 return _IMP_core.BinormalTerm___str__(self)
14476 def __repr__(self):
14477 r"""__repr__(BinormalTerm self) -> std::string"""
14478 return _IMP_core.BinormalTerm___repr__(self)
14480 def _get_as_binary(self):
14481 r"""_get_as_binary(BinormalTerm self) -> PyObject *"""
14482 return _IMP_core.BinormalTerm__get_as_binary(self)
14484 def _set_from_binary(self, p):
14485 r"""_set_from_binary(BinormalTerm self, PyObject * p)"""
14486 return _IMP_core.BinormalTerm__set_from_binary(self, p)
14488 def __getstate__(self):
14489 p = self._get_as_binary()
14490 if len(self.__dict__) > 1:
14491 d = self.__dict__.copy()
14496 def __setstate__(self, p):
14497 if not hasattr(self,
'this'):
14499 if isinstance(p, tuple):
14501 self.__dict__.update(d)
14502 return self._set_from_binary(p)
14504 __swig_destroy__ = _IMP_core.delete_BinormalTerm
14507 _IMP_core.BinormalTerm_swigregister(BinormalTerm)
14509 r"""Proxy of C++ IMP::core::Provenance class."""
14511 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14513 def get_previous(self):
14514 r"""get_previous(Provenance self) -> Provenance"""
14515 return _IMP_core.Provenance_get_previous(self)
14517 def set_previous(self, p):
14518 r"""set_previous(Provenance self, Provenance p)"""
14519 return _IMP_core.Provenance_set_previous(self, p)
14521 def __init__(self, *args):
14523 __init__(Provenance self) -> Provenance
14524 __init__(Provenance self, Model m, ParticleIndex id) -> Provenance
14525 __init__(Provenance self, _ParticleAdaptor d) -> Provenance
14527 _IMP_core.Provenance_swiginit(self, _IMP_core.new_Provenance(*args))
14530 def get_is_setup(*args):
14532 get_is_setup(Model m, ParticleIndex pi) -> bool
14533 get_is_setup(_ParticleAdaptor p) -> bool
14535 return _IMP_core.Provenance_get_is_setup(*args)
14537 def show(self, *args):
14538 r"""show(Provenance self, _ostream out=std::cout)"""
14539 return _IMP_core.Provenance_show(self, *args)
14542 def setup_particle(*args):
14544 setup_particle(Model m, ParticleIndex pi) -> Provenance
14545 setup_particle(_ParticleAdaptor pa) -> Provenance
14547 return _IMP_core.Provenance_setup_particle(*args)
14549 def add_attribute(self, *args):
14551 add_attribute(Provenance self, FloatKey k, IMP::Float v, bool opt)
14552 add_attribute(Provenance self, FloatKey a0, IMP::Float a1)
14553 add_attribute(Provenance self, IntKey a0, IMP::Int a1)
14554 add_attribute(Provenance self, FloatsKey a0, IMP::Floats a1)
14555 add_attribute(Provenance self, IntsKey a0, IMP::Ints a1)
14556 add_attribute(Provenance self, StringKey a0, IMP::String a1)
14557 add_attribute(Provenance self, ParticleIndexKey a0, Particle a1)
14558 add_attribute(Provenance self, ObjectKey a0, Object a1)
14559 add_attribute(Provenance self, SparseFloatKey a0, IMP::Float a1)
14560 add_attribute(Provenance self, SparseIntKey a0, IMP::Int a1)
14561 add_attribute(Provenance self, SparseStringKey a0, IMP::String a1)
14562 add_attribute(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14564 return _IMP_core.Provenance_add_attribute(self, *args)
14566 def get_value(self, *args):
14568 get_value(Provenance self, FloatKey a0) -> IMP::Float
14569 get_value(Provenance self, IntKey a0) -> IMP::Int
14570 get_value(Provenance self, FloatsKey a0) -> IMP::Floats
14571 get_value(Provenance self, IntsKey a0) -> IMP::Ints
14572 get_value(Provenance self, StringKey a0) -> IMP::String
14573 get_value(Provenance self, ParticleIndexKey a0) -> Particle
14574 get_value(Provenance self, ObjectKey a0) -> Object
14575 get_value(Provenance self, SparseFloatKey a0) -> IMP::Float
14576 get_value(Provenance self, SparseIntKey a0) -> IMP::Int
14577 get_value(Provenance self, SparseStringKey a0) -> IMP::String
14578 get_value(Provenance self, SparseParticleIndexKey a0) -> ParticleIndex
14580 return _IMP_core.Provenance_get_value(self, *args)
14582 def set_value(self, *args):
14584 set_value(Provenance self, FloatKey a0, IMP::Float a1)
14585 set_value(Provenance self, IntKey a0, IMP::Int a1)
14586 set_value(Provenance self, FloatsKey a0, IMP::Floats a1)
14587 set_value(Provenance self, IntsKey a0, IMP::Ints a1)
14588 set_value(Provenance self, StringKey a0, IMP::String a1)
14589 set_value(Provenance self, ParticleIndexKey a0, Particle a1)
14590 set_value(Provenance self, ObjectKey a0, Object a1)
14591 set_value(Provenance self, SparseFloatKey a0, IMP::Float a1)
14592 set_value(Provenance self, SparseIntKey a0, IMP::Int a1)
14593 set_value(Provenance self, SparseStringKey a0, IMP::String a1)
14594 set_value(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14596 return _IMP_core.Provenance_set_value(self, *args)
14598 def remove_attribute(self, *args):
14600 remove_attribute(Provenance self, FloatKey a0)
14601 remove_attribute(Provenance self, IntKey a0)
14602 remove_attribute(Provenance self, FloatsKey a0)
14603 remove_attribute(Provenance self, IntsKey a0)
14604 remove_attribute(Provenance self, StringKey a0)
14605 remove_attribute(Provenance self, ParticleIndexKey a0)
14606 remove_attribute(Provenance self, ObjectKey a0)
14607 remove_attribute(Provenance self, SparseFloatKey a0)
14608 remove_attribute(Provenance self, SparseIntKey a0)
14609 remove_attribute(Provenance self, SparseStringKey a0)
14610 remove_attribute(Provenance self, SparseParticleIndexKey a0)
14612 return _IMP_core.Provenance_remove_attribute(self, *args)
14614 def has_attribute(self, *args):
14616 has_attribute(Provenance self, FloatKey a0) -> bool
14617 has_attribute(Provenance self, IntKey a0) -> bool
14618 has_attribute(Provenance self, FloatsKey a0) -> bool
14619 has_attribute(Provenance self, IntsKey a0) -> bool
14620 has_attribute(Provenance self, StringKey a0) -> bool
14621 has_attribute(Provenance self, ParticleIndexKey a0) -> bool
14622 has_attribute(Provenance self, ObjectKey a0) -> bool
14623 has_attribute(Provenance self, SparseFloatKey a0) -> bool
14624 has_attribute(Provenance self, SparseIntKey a0) -> bool
14625 has_attribute(Provenance self, SparseStringKey a0) -> bool
14626 has_attribute(Provenance self, SparseParticleIndexKey a0) -> bool
14628 return _IMP_core.Provenance_has_attribute(self, *args)
14630 def get_derivative(self, a0):
14631 r"""get_derivative(Provenance self, FloatKey a0) -> double"""
14632 return _IMP_core.Provenance_get_derivative(self, a0)
14634 def get_name(self):
14635 r"""get_name(Provenance self) -> std::string"""
14636 return _IMP_core.Provenance_get_name(self)
14638 def clear_caches(self):
14639 r"""clear_caches(Provenance self)"""
14640 return _IMP_core.Provenance_clear_caches(self)
14642 def set_name(self, a0):
14643 r"""set_name(Provenance self, std::string a0)"""
14644 return _IMP_core.Provenance_set_name(self, a0)
14647 r"""set_check_level(Provenance self, IMP::CheckLevel a0)"""
14648 return _IMP_core.Provenance_set_check_level(self, a0)
14650 def add_to_derivative(self, a0, a1, a2):
14651 r"""add_to_derivative(Provenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14652 return _IMP_core.Provenance_add_to_derivative(self, a0, a1, a2)
14654 def set_is_optimized(self, a0, a1):
14655 r"""set_is_optimized(Provenance self, FloatKey a0, bool a1)"""
14656 return _IMP_core.Provenance_set_is_optimized(self, a0, a1)
14658 def get_is_optimized(self, a0):
14659 r"""get_is_optimized(Provenance self, FloatKey a0) -> bool"""
14660 return _IMP_core.Provenance_get_is_optimized(self, a0)
14663 r"""get_check_level(Provenance self) -> IMP::CheckLevel"""
14664 return _IMP_core.Provenance_get_check_level(self)
14666 def __eq__(self, *args):
14668 __eq__(Provenance self, Provenance o) -> bool
14669 __eq__(Provenance self, Particle d) -> bool
14671 return _IMP_core.Provenance___eq__(self, *args)
14673 def __ne__(self, *args):
14675 __ne__(Provenance self, Provenance o) -> bool
14676 __ne__(Provenance self, Particle d) -> bool
14678 return _IMP_core.Provenance___ne__(self, *args)
14680 def __le__(self, *args):
14682 __le__(Provenance self, Provenance o) -> bool
14683 __le__(Provenance self, Particle d) -> bool
14685 return _IMP_core.Provenance___le__(self, *args)
14687 def __lt__(self, *args):
14689 __lt__(Provenance self, Provenance o) -> bool
14690 __lt__(Provenance self, Particle d) -> bool
14692 return _IMP_core.Provenance___lt__(self, *args)
14694 def __ge__(self, *args):
14696 __ge__(Provenance self, Provenance o) -> bool
14697 __ge__(Provenance self, Particle d) -> bool
14699 return _IMP_core.Provenance___ge__(self, *args)
14701 def __gt__(self, *args):
14703 __gt__(Provenance self, Provenance o) -> bool
14704 __gt__(Provenance self, Particle d) -> bool
14706 return _IMP_core.Provenance___gt__(self, *args)
14708 def __hash__(self):
14709 r"""__hash__(Provenance self) -> std::size_t"""
14710 return _IMP_core.Provenance___hash__(self)
14713 r"""__str__(Provenance self) -> std::string"""
14714 return _IMP_core.Provenance___str__(self)
14716 def __repr__(self):
14717 r"""__repr__(Provenance self) -> std::string"""
14718 return _IMP_core.Provenance___repr__(self)
14720 def _get_as_binary(self):
14721 r"""_get_as_binary(Provenance self) -> PyObject *"""
14722 return _IMP_core.Provenance__get_as_binary(self)
14724 def _set_from_binary(self, p):
14725 r"""_set_from_binary(Provenance self, PyObject * p)"""
14726 return _IMP_core.Provenance__set_from_binary(self, p)
14728 def __getstate__(self):
14729 p = self._get_as_binary()
14730 if len(self.__dict__) > 1:
14731 d = self.__dict__.copy()
14736 def __setstate__(self, p):
14737 if not hasattr(self,
'this'):
14739 if isinstance(p, tuple):
14741 self.__dict__.update(d)
14742 return self._set_from_binary(p)
14744 __swig_destroy__ = _IMP_core.delete_Provenance
14747 _IMP_core.Provenance_swigregister(Provenance)
14748 class StructureProvenance(Provenance):
14749 r"""Proxy of C++ IMP::core::StructureProvenance class."""
14751 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14753 def set_filename(self, filename):
14754 r"""set_filename(StructureProvenance self, std::string filename)"""
14755 return _IMP_core.StructureProvenance_set_filename(self, filename)
14757 def get_filename(self):
14758 r"""get_filename(StructureProvenance self) -> std::string"""
14759 return _IMP_core.StructureProvenance_get_filename(self)
14761 def set_chain_id(self, chain_id):
14762 r"""set_chain_id(StructureProvenance self, std::string chain_id)"""
14763 return _IMP_core.StructureProvenance_set_chain_id(self, chain_id)
14766 r"""get_chain_id(StructureProvenance self) -> std::string"""
14767 return _IMP_core.StructureProvenance_get_chain_id(self)
14769 def set_residue_offset(self, residue_offset):
14770 r"""set_residue_offset(StructureProvenance self, int residue_offset)"""
14771 return _IMP_core.StructureProvenance_set_residue_offset(self, residue_offset)
14773 def get_residue_offset(self):
14774 r"""get_residue_offset(StructureProvenance self) -> int"""
14775 return _IMP_core.StructureProvenance_get_residue_offset(self)
14777 def __init__(self, *args):
14779 __init__(StructureProvenance self) -> StructureProvenance
14780 __init__(StructureProvenance self, Model m, ParticleIndex id) -> StructureProvenance
14781 __init__(StructureProvenance self, _ParticleAdaptor d) -> StructureProvenance
14783 _IMP_core.StructureProvenance_swiginit(self, _IMP_core.new_StructureProvenance(*args))
14786 def get_is_setup(*args):
14788 get_is_setup(Model m, ParticleIndex pi) -> bool
14789 get_is_setup(_ParticleAdaptor p) -> bool
14791 return _IMP_core.StructureProvenance_get_is_setup(*args)
14793 def show(self, *args):
14794 r"""show(StructureProvenance self, _ostream out=std::cout)"""
14795 return _IMP_core.StructureProvenance_show(self, *args)
14798 def setup_particle(*args):
14800 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14801 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14802 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id) -> StructureProvenance
14803 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id) -> StructureProvenance
14804 setup_particle(Model m, ParticleIndex pi, StructureProvenance o) -> StructureProvenance
14805 setup_particle(_ParticleAdaptor pa, StructureProvenance o) -> StructureProvenance
14807 return _IMP_core.StructureProvenance_setup_particle(*args)
14809 def add_attribute(self, *args):
14811 add_attribute(StructureProvenance self, FloatKey k, IMP::Float v, bool opt)
14812 add_attribute(StructureProvenance self, FloatKey a0, IMP::Float a1)
14813 add_attribute(StructureProvenance self, IntKey a0, IMP::Int a1)
14814 add_attribute(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14815 add_attribute(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14816 add_attribute(StructureProvenance self, StringKey a0, IMP::String a1)
14817 add_attribute(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14818 add_attribute(StructureProvenance self, ObjectKey a0, Object a1)
14819 add_attribute(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14820 add_attribute(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14821 add_attribute(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14822 add_attribute(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14824 return _IMP_core.StructureProvenance_add_attribute(self, *args)
14826 def get_value(self, *args):
14828 get_value(StructureProvenance self, FloatKey a0) -> IMP::Float
14829 get_value(StructureProvenance self, IntKey a0) -> IMP::Int
14830 get_value(StructureProvenance self, FloatsKey a0) -> IMP::Floats
14831 get_value(StructureProvenance self, IntsKey a0) -> IMP::Ints
14832 get_value(StructureProvenance self, StringKey a0) -> IMP::String
14833 get_value(StructureProvenance self, ParticleIndexKey a0) -> Particle
14834 get_value(StructureProvenance self, ObjectKey a0) -> Object
14835 get_value(StructureProvenance self, SparseFloatKey a0) -> IMP::Float
14836 get_value(StructureProvenance self, SparseIntKey a0) -> IMP::Int
14837 get_value(StructureProvenance self, SparseStringKey a0) -> IMP::String
14838 get_value(StructureProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14840 return _IMP_core.StructureProvenance_get_value(self, *args)
14842 def set_value(self, *args):
14844 set_value(StructureProvenance self, FloatKey a0, IMP::Float a1)
14845 set_value(StructureProvenance self, IntKey a0, IMP::Int a1)
14846 set_value(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14847 set_value(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14848 set_value(StructureProvenance self, StringKey a0, IMP::String a1)
14849 set_value(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14850 set_value(StructureProvenance self, ObjectKey a0, Object a1)
14851 set_value(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14852 set_value(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14853 set_value(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14854 set_value(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14856 return _IMP_core.StructureProvenance_set_value(self, *args)
14858 def remove_attribute(self, *args):
14860 remove_attribute(StructureProvenance self, FloatKey a0)
14861 remove_attribute(StructureProvenance self, IntKey a0)
14862 remove_attribute(StructureProvenance self, FloatsKey a0)
14863 remove_attribute(StructureProvenance self, IntsKey a0)
14864 remove_attribute(StructureProvenance self, StringKey a0)
14865 remove_attribute(StructureProvenance self, ParticleIndexKey a0)
14866 remove_attribute(StructureProvenance self, ObjectKey a0)
14867 remove_attribute(StructureProvenance self, SparseFloatKey a0)
14868 remove_attribute(StructureProvenance self, SparseIntKey a0)
14869 remove_attribute(StructureProvenance self, SparseStringKey a0)
14870 remove_attribute(StructureProvenance self, SparseParticleIndexKey a0)
14872 return _IMP_core.StructureProvenance_remove_attribute(self, *args)
14874 def has_attribute(self, *args):
14876 has_attribute(StructureProvenance self, FloatKey a0) -> bool
14877 has_attribute(StructureProvenance self, IntKey a0) -> bool
14878 has_attribute(StructureProvenance self, FloatsKey a0) -> bool
14879 has_attribute(StructureProvenance self, IntsKey a0) -> bool
14880 has_attribute(StructureProvenance self, StringKey a0) -> bool
14881 has_attribute(StructureProvenance self, ParticleIndexKey a0) -> bool
14882 has_attribute(StructureProvenance self, ObjectKey a0) -> bool
14883 has_attribute(StructureProvenance self, SparseFloatKey a0) -> bool
14884 has_attribute(StructureProvenance self, SparseIntKey a0) -> bool
14885 has_attribute(StructureProvenance self, SparseStringKey a0) -> bool
14886 has_attribute(StructureProvenance self, SparseParticleIndexKey a0) -> bool
14888 return _IMP_core.StructureProvenance_has_attribute(self, *args)
14890 def get_derivative(self, a0):
14891 r"""get_derivative(StructureProvenance self, FloatKey a0) -> double"""
14892 return _IMP_core.StructureProvenance_get_derivative(self, a0)
14894 def get_name(self):
14895 r"""get_name(StructureProvenance self) -> std::string"""
14896 return _IMP_core.StructureProvenance_get_name(self)
14898 def clear_caches(self):
14899 r"""clear_caches(StructureProvenance self)"""
14900 return _IMP_core.StructureProvenance_clear_caches(self)
14902 def set_name(self, a0):
14903 r"""set_name(StructureProvenance self, std::string a0)"""
14904 return _IMP_core.StructureProvenance_set_name(self, a0)
14907 r"""set_check_level(StructureProvenance self, IMP::CheckLevel a0)"""
14908 return _IMP_core.StructureProvenance_set_check_level(self, a0)
14910 def add_to_derivative(self, a0, a1, a2):
14911 r"""add_to_derivative(StructureProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14912 return _IMP_core.StructureProvenance_add_to_derivative(self, a0, a1, a2)
14914 def set_is_optimized(self, a0, a1):
14915 r"""set_is_optimized(StructureProvenance self, FloatKey a0, bool a1)"""
14916 return _IMP_core.StructureProvenance_set_is_optimized(self, a0, a1)
14918 def get_is_optimized(self, a0):
14919 r"""get_is_optimized(StructureProvenance self, FloatKey a0) -> bool"""
14920 return _IMP_core.StructureProvenance_get_is_optimized(self, a0)
14923 r"""get_check_level(StructureProvenance self) -> IMP::CheckLevel"""
14924 return _IMP_core.StructureProvenance_get_check_level(self)
14926 def __eq__(self, *args):
14928 __eq__(StructureProvenance self, StructureProvenance o) -> bool
14929 __eq__(StructureProvenance self, Particle d) -> bool
14931 return _IMP_core.StructureProvenance___eq__(self, *args)
14933 def __ne__(self, *args):
14935 __ne__(StructureProvenance self, StructureProvenance o) -> bool
14936 __ne__(StructureProvenance self, Particle d) -> bool
14938 return _IMP_core.StructureProvenance___ne__(self, *args)
14940 def __le__(self, *args):
14942 __le__(StructureProvenance self, StructureProvenance o) -> bool
14943 __le__(StructureProvenance self, Particle d) -> bool
14945 return _IMP_core.StructureProvenance___le__(self, *args)
14947 def __lt__(self, *args):
14949 __lt__(StructureProvenance self, StructureProvenance o) -> bool
14950 __lt__(StructureProvenance self, Particle d) -> bool
14952 return _IMP_core.StructureProvenance___lt__(self, *args)
14954 def __ge__(self, *args):
14956 __ge__(StructureProvenance self, StructureProvenance o) -> bool
14957 __ge__(StructureProvenance self, Particle d) -> bool
14959 return _IMP_core.StructureProvenance___ge__(self, *args)
14961 def __gt__(self, *args):
14963 __gt__(StructureProvenance self, StructureProvenance o) -> bool
14964 __gt__(StructureProvenance self, Particle d) -> bool
14966 return _IMP_core.StructureProvenance___gt__(self, *args)
14968 def __hash__(self):
14969 r"""__hash__(StructureProvenance self) -> std::size_t"""
14970 return _IMP_core.StructureProvenance___hash__(self)
14973 r"""__str__(StructureProvenance self) -> std::string"""
14974 return _IMP_core.StructureProvenance___str__(self)
14976 def __repr__(self):
14977 r"""__repr__(StructureProvenance self) -> std::string"""
14978 return _IMP_core.StructureProvenance___repr__(self)
14980 def _get_as_binary(self):
14981 r"""_get_as_binary(StructureProvenance self) -> PyObject *"""
14982 return _IMP_core.StructureProvenance__get_as_binary(self)
14984 def _set_from_binary(self, p):
14985 r"""_set_from_binary(StructureProvenance self, PyObject * p)"""
14986 return _IMP_core.StructureProvenance__set_from_binary(self, p)
14988 def __getstate__(self):
14989 p = self._get_as_binary()
14990 if len(self.__dict__) > 1:
14991 d = self.__dict__.copy()
14996 def __setstate__(self, p):
14997 if not hasattr(self,
'this'):
14999 if isinstance(p, tuple):
15001 self.__dict__.update(d)
15002 return self._set_from_binary(p)
15004 __swig_destroy__ = _IMP_core.delete_StructureProvenance
15007 _IMP_core.StructureProvenance_swigregister(StructureProvenance)
15008 class SampleProvenance(Provenance):
15009 r"""Proxy of C++ IMP::core::SampleProvenance class."""
15011 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15013 def set_method(self, method):
15014 r"""set_method(SampleProvenance self, std::string method)"""
15015 return _IMP_core.SampleProvenance_set_method(self, method)
15017 def get_method(self):
15018 r"""get_method(SampleProvenance self) -> std::string"""
15019 return _IMP_core.SampleProvenance_get_method(self)
15021 def set_number_of_frames(self, frames):
15022 r"""set_number_of_frames(SampleProvenance self, int frames)"""
15023 return _IMP_core.SampleProvenance_set_number_of_frames(self, frames)
15026 r"""get_number_of_frames(SampleProvenance self) -> int"""
15027 return _IMP_core.SampleProvenance_get_number_of_frames(self)
15029 def set_number_of_iterations(self, iterations):
15030 r"""set_number_of_iterations(SampleProvenance self, int iterations)"""
15031 return _IMP_core.SampleProvenance_set_number_of_iterations(self, iterations)
15033 def get_number_of_iterations(self):
15034 r"""get_number_of_iterations(SampleProvenance self) -> int"""
15035 return _IMP_core.SampleProvenance_get_number_of_iterations(self)
15037 def set_number_of_replicas(self, replicas):
15038 r"""set_number_of_replicas(SampleProvenance self, int replicas)"""
15039 return _IMP_core.SampleProvenance_set_number_of_replicas(self, replicas)
15041 def get_number_of_replicas(self):
15042 r"""get_number_of_replicas(SampleProvenance self) -> int"""
15043 return _IMP_core.SampleProvenance_get_number_of_replicas(self)
15045 def __init__(self, *args):
15047 __init__(SampleProvenance self) -> SampleProvenance
15048 __init__(SampleProvenance self, Model m, ParticleIndex id) -> SampleProvenance
15049 __init__(SampleProvenance self, _ParticleAdaptor d) -> SampleProvenance
15051 _IMP_core.SampleProvenance_swiginit(self, _IMP_core.new_SampleProvenance(*args))
15054 def get_is_setup(*args):
15056 get_is_setup(Model m, ParticleIndex pi) -> bool
15057 get_is_setup(_ParticleAdaptor p) -> bool
15059 return _IMP_core.SampleProvenance_get_is_setup(*args)
15061 def show(self, *args):
15062 r"""show(SampleProvenance self, _ostream out=std::cout)"""
15063 return _IMP_core.SampleProvenance_show(self, *args)
15066 def setup_particle(*args):
15068 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
15069 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
15070 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations) -> SampleProvenance
15071 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations) -> SampleProvenance
15072 setup_particle(Model m, ParticleIndex pi, SampleProvenance o) -> SampleProvenance
15073 setup_particle(_ParticleAdaptor pa, SampleProvenance o) -> SampleProvenance
15075 return _IMP_core.SampleProvenance_setup_particle(*args)
15077 def add_attribute(self, *args):
15079 add_attribute(SampleProvenance self, FloatKey k, IMP::Float v, bool opt)
15080 add_attribute(SampleProvenance self, FloatKey a0, IMP::Float a1)
15081 add_attribute(SampleProvenance self, IntKey a0, IMP::Int a1)
15082 add_attribute(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
15083 add_attribute(SampleProvenance self, IntsKey a0, IMP::Ints a1)
15084 add_attribute(SampleProvenance self, StringKey a0, IMP::String a1)
15085 add_attribute(SampleProvenance self, ParticleIndexKey a0, Particle a1)
15086 add_attribute(SampleProvenance self, ObjectKey a0, Object a1)
15087 add_attribute(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
15088 add_attribute(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
15089 add_attribute(SampleProvenance self, SparseStringKey a0, IMP::String a1)
15090 add_attribute(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15092 return _IMP_core.SampleProvenance_add_attribute(self, *args)
15094 def get_value(self, *args):
15096 get_value(SampleProvenance self, FloatKey a0) -> IMP::Float
15097 get_value(SampleProvenance self, IntKey a0) -> IMP::Int
15098 get_value(SampleProvenance self, FloatsKey a0) -> IMP::Floats
15099 get_value(SampleProvenance self, IntsKey a0) -> IMP::Ints
15100 get_value(SampleProvenance self, StringKey a0) -> IMP::String
15101 get_value(SampleProvenance self, ParticleIndexKey a0) -> Particle
15102 get_value(SampleProvenance self, ObjectKey a0) -> Object
15103 get_value(SampleProvenance self, SparseFloatKey a0) -> IMP::Float
15104 get_value(SampleProvenance self, SparseIntKey a0) -> IMP::Int
15105 get_value(SampleProvenance self, SparseStringKey a0) -> IMP::String
15106 get_value(SampleProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15108 return _IMP_core.SampleProvenance_get_value(self, *args)
15110 def set_value(self, *args):
15112 set_value(SampleProvenance self, FloatKey a0, IMP::Float a1)
15113 set_value(SampleProvenance self, IntKey a0, IMP::Int a1)
15114 set_value(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
15115 set_value(SampleProvenance self, IntsKey a0, IMP::Ints a1)
15116 set_value(SampleProvenance self, StringKey a0, IMP::String a1)
15117 set_value(SampleProvenance self, ParticleIndexKey a0, Particle a1)
15118 set_value(SampleProvenance self, ObjectKey a0, Object a1)
15119 set_value(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
15120 set_value(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
15121 set_value(SampleProvenance self, SparseStringKey a0, IMP::String a1)
15122 set_value(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15124 return _IMP_core.SampleProvenance_set_value(self, *args)
15126 def remove_attribute(self, *args):
15128 remove_attribute(SampleProvenance self, FloatKey a0)
15129 remove_attribute(SampleProvenance self, IntKey a0)
15130 remove_attribute(SampleProvenance self, FloatsKey a0)
15131 remove_attribute(SampleProvenance self, IntsKey a0)
15132 remove_attribute(SampleProvenance self, StringKey a0)
15133 remove_attribute(SampleProvenance self, ParticleIndexKey a0)
15134 remove_attribute(SampleProvenance self, ObjectKey a0)
15135 remove_attribute(SampleProvenance self, SparseFloatKey a0)
15136 remove_attribute(SampleProvenance self, SparseIntKey a0)
15137 remove_attribute(SampleProvenance self, SparseStringKey a0)
15138 remove_attribute(SampleProvenance self, SparseParticleIndexKey a0)
15140 return _IMP_core.SampleProvenance_remove_attribute(self, *args)
15142 def has_attribute(self, *args):
15144 has_attribute(SampleProvenance self, FloatKey a0) -> bool
15145 has_attribute(SampleProvenance self, IntKey a0) -> bool
15146 has_attribute(SampleProvenance self, FloatsKey a0) -> bool
15147 has_attribute(SampleProvenance self, IntsKey a0) -> bool
15148 has_attribute(SampleProvenance self, StringKey a0) -> bool
15149 has_attribute(SampleProvenance self, ParticleIndexKey a0) -> bool
15150 has_attribute(SampleProvenance self, ObjectKey a0) -> bool
15151 has_attribute(SampleProvenance self, SparseFloatKey a0) -> bool
15152 has_attribute(SampleProvenance self, SparseIntKey a0) -> bool
15153 has_attribute(SampleProvenance self, SparseStringKey a0) -> bool
15154 has_attribute(SampleProvenance self, SparseParticleIndexKey a0) -> bool
15156 return _IMP_core.SampleProvenance_has_attribute(self, *args)
15158 def get_derivative(self, a0):
15159 r"""get_derivative(SampleProvenance self, FloatKey a0) -> double"""
15160 return _IMP_core.SampleProvenance_get_derivative(self, a0)
15162 def get_name(self):
15163 r"""get_name(SampleProvenance self) -> std::string"""
15164 return _IMP_core.SampleProvenance_get_name(self)
15166 def clear_caches(self):
15167 r"""clear_caches(SampleProvenance self)"""
15168 return _IMP_core.SampleProvenance_clear_caches(self)
15170 def set_name(self, a0):
15171 r"""set_name(SampleProvenance self, std::string a0)"""
15172 return _IMP_core.SampleProvenance_set_name(self, a0)
15175 r"""set_check_level(SampleProvenance self, IMP::CheckLevel a0)"""
15176 return _IMP_core.SampleProvenance_set_check_level(self, a0)
15178 def add_to_derivative(self, a0, a1, a2):
15179 r"""add_to_derivative(SampleProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15180 return _IMP_core.SampleProvenance_add_to_derivative(self, a0, a1, a2)
15182 def set_is_optimized(self, a0, a1):
15183 r"""set_is_optimized(SampleProvenance self, FloatKey a0, bool a1)"""
15184 return _IMP_core.SampleProvenance_set_is_optimized(self, a0, a1)
15186 def get_is_optimized(self, a0):
15187 r"""get_is_optimized(SampleProvenance self, FloatKey a0) -> bool"""
15188 return _IMP_core.SampleProvenance_get_is_optimized(self, a0)
15191 r"""get_check_level(SampleProvenance self) -> IMP::CheckLevel"""
15192 return _IMP_core.SampleProvenance_get_check_level(self)
15194 def __eq__(self, *args):
15196 __eq__(SampleProvenance self, SampleProvenance o) -> bool
15197 __eq__(SampleProvenance self, Particle d) -> bool
15199 return _IMP_core.SampleProvenance___eq__(self, *args)
15201 def __ne__(self, *args):
15203 __ne__(SampleProvenance self, SampleProvenance o) -> bool
15204 __ne__(SampleProvenance self, Particle d) -> bool
15206 return _IMP_core.SampleProvenance___ne__(self, *args)
15208 def __le__(self, *args):
15210 __le__(SampleProvenance self, SampleProvenance o) -> bool
15211 __le__(SampleProvenance self, Particle d) -> bool
15213 return _IMP_core.SampleProvenance___le__(self, *args)
15215 def __lt__(self, *args):
15217 __lt__(SampleProvenance self, SampleProvenance o) -> bool
15218 __lt__(SampleProvenance self, Particle d) -> bool
15220 return _IMP_core.SampleProvenance___lt__(self, *args)
15222 def __ge__(self, *args):
15224 __ge__(SampleProvenance self, SampleProvenance o) -> bool
15225 __ge__(SampleProvenance self, Particle d) -> bool
15227 return _IMP_core.SampleProvenance___ge__(self, *args)
15229 def __gt__(self, *args):
15231 __gt__(SampleProvenance self, SampleProvenance o) -> bool
15232 __gt__(SampleProvenance self, Particle d) -> bool
15234 return _IMP_core.SampleProvenance___gt__(self, *args)
15236 def __hash__(self):
15237 r"""__hash__(SampleProvenance self) -> std::size_t"""
15238 return _IMP_core.SampleProvenance___hash__(self)
15241 r"""__str__(SampleProvenance self) -> std::string"""
15242 return _IMP_core.SampleProvenance___str__(self)
15244 def __repr__(self):
15245 r"""__repr__(SampleProvenance self) -> std::string"""
15246 return _IMP_core.SampleProvenance___repr__(self)
15248 def _get_as_binary(self):
15249 r"""_get_as_binary(SampleProvenance self) -> PyObject *"""
15250 return _IMP_core.SampleProvenance__get_as_binary(self)
15252 def _set_from_binary(self, p):
15253 r"""_set_from_binary(SampleProvenance self, PyObject * p)"""
15254 return _IMP_core.SampleProvenance__set_from_binary(self, p)
15256 def __getstate__(self):
15257 p = self._get_as_binary()
15258 if len(self.__dict__) > 1:
15259 d = self.__dict__.copy()
15264 def __setstate__(self, p):
15265 if not hasattr(self,
'this'):
15267 if isinstance(p, tuple):
15269 self.__dict__.update(d)
15270 return self._set_from_binary(p)
15272 __swig_destroy__ = _IMP_core.delete_SampleProvenance
15275 _IMP_core.SampleProvenance_swigregister(SampleProvenance)
15276 class CombineProvenance(Provenance):
15277 r"""Proxy of C++ IMP::core::CombineProvenance class."""
15279 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15281 def set_number_of_frames(self, frames):
15282 r"""set_number_of_frames(CombineProvenance self, int frames)"""
15283 return _IMP_core.CombineProvenance_set_number_of_frames(self, frames)
15286 r"""get_number_of_frames(CombineProvenance self) -> int"""
15287 return _IMP_core.CombineProvenance_get_number_of_frames(self)
15289 def set_number_of_runs(self, runs):
15290 r"""set_number_of_runs(CombineProvenance self, int runs)"""
15291 return _IMP_core.CombineProvenance_set_number_of_runs(self, runs)
15293 def get_number_of_runs(self):
15294 r"""get_number_of_runs(CombineProvenance self) -> int"""
15295 return _IMP_core.CombineProvenance_get_number_of_runs(self)
15297 def __init__(self, *args):
15299 __init__(CombineProvenance self) -> CombineProvenance
15300 __init__(CombineProvenance self, Model m, ParticleIndex id) -> CombineProvenance
15301 __init__(CombineProvenance self, _ParticleAdaptor d) -> CombineProvenance
15303 _IMP_core.CombineProvenance_swiginit(self, _IMP_core.new_CombineProvenance(*args))
15306 def get_is_setup(*args):
15308 get_is_setup(Model m, ParticleIndex pi) -> bool
15309 get_is_setup(_ParticleAdaptor p) -> bool
15311 return _IMP_core.CombineProvenance_get_is_setup(*args)
15313 def show(self, *args):
15314 r"""show(CombineProvenance self, _ostream out=std::cout)"""
15315 return _IMP_core.CombineProvenance_show(self, *args)
15318 def setup_particle(*args):
15320 setup_particle(Model m, ParticleIndex pi, int runs, int frames) -> CombineProvenance
15321 setup_particle(_ParticleAdaptor pa, int runs, int frames) -> CombineProvenance
15322 setup_particle(Model m, ParticleIndex pi, CombineProvenance o) -> CombineProvenance
15323 setup_particle(_ParticleAdaptor pa, CombineProvenance o) -> CombineProvenance
15325 return _IMP_core.CombineProvenance_setup_particle(*args)
15327 def add_attribute(self, *args):
15329 add_attribute(CombineProvenance self, FloatKey k, IMP::Float v, bool opt)
15330 add_attribute(CombineProvenance self, FloatKey a0, IMP::Float a1)
15331 add_attribute(CombineProvenance self, IntKey a0, IMP::Int a1)
15332 add_attribute(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
15333 add_attribute(CombineProvenance self, IntsKey a0, IMP::Ints a1)
15334 add_attribute(CombineProvenance self, StringKey a0, IMP::String a1)
15335 add_attribute(CombineProvenance self, ParticleIndexKey a0, Particle a1)
15336 add_attribute(CombineProvenance self, ObjectKey a0, Object a1)
15337 add_attribute(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
15338 add_attribute(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
15339 add_attribute(CombineProvenance self, SparseStringKey a0, IMP::String a1)
15340 add_attribute(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15342 return _IMP_core.CombineProvenance_add_attribute(self, *args)
15344 def get_value(self, *args):
15346 get_value(CombineProvenance self, FloatKey a0) -> IMP::Float
15347 get_value(CombineProvenance self, IntKey a0) -> IMP::Int
15348 get_value(CombineProvenance self, FloatsKey a0) -> IMP::Floats
15349 get_value(CombineProvenance self, IntsKey a0) -> IMP::Ints
15350 get_value(CombineProvenance self, StringKey a0) -> IMP::String
15351 get_value(CombineProvenance self, ParticleIndexKey a0) -> Particle
15352 get_value(CombineProvenance self, ObjectKey a0) -> Object
15353 get_value(CombineProvenance self, SparseFloatKey a0) -> IMP::Float
15354 get_value(CombineProvenance self, SparseIntKey a0) -> IMP::Int
15355 get_value(CombineProvenance self, SparseStringKey a0) -> IMP::String
15356 get_value(CombineProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15358 return _IMP_core.CombineProvenance_get_value(self, *args)
15360 def set_value(self, *args):
15362 set_value(CombineProvenance self, FloatKey a0, IMP::Float a1)
15363 set_value(CombineProvenance self, IntKey a0, IMP::Int a1)
15364 set_value(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
15365 set_value(CombineProvenance self, IntsKey a0, IMP::Ints a1)
15366 set_value(CombineProvenance self, StringKey a0, IMP::String a1)
15367 set_value(CombineProvenance self, ParticleIndexKey a0, Particle a1)
15368 set_value(CombineProvenance self, ObjectKey a0, Object a1)
15369 set_value(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
15370 set_value(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
15371 set_value(CombineProvenance self, SparseStringKey a0, IMP::String a1)
15372 set_value(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15374 return _IMP_core.CombineProvenance_set_value(self, *args)
15376 def remove_attribute(self, *args):
15378 remove_attribute(CombineProvenance self, FloatKey a0)
15379 remove_attribute(CombineProvenance self, IntKey a0)
15380 remove_attribute(CombineProvenance self, FloatsKey a0)
15381 remove_attribute(CombineProvenance self, IntsKey a0)
15382 remove_attribute(CombineProvenance self, StringKey a0)
15383 remove_attribute(CombineProvenance self, ParticleIndexKey a0)
15384 remove_attribute(CombineProvenance self, ObjectKey a0)
15385 remove_attribute(CombineProvenance self, SparseFloatKey a0)
15386 remove_attribute(CombineProvenance self, SparseIntKey a0)
15387 remove_attribute(CombineProvenance self, SparseStringKey a0)
15388 remove_attribute(CombineProvenance self, SparseParticleIndexKey a0)
15390 return _IMP_core.CombineProvenance_remove_attribute(self, *args)
15392 def has_attribute(self, *args):
15394 has_attribute(CombineProvenance self, FloatKey a0) -> bool
15395 has_attribute(CombineProvenance self, IntKey a0) -> bool
15396 has_attribute(CombineProvenance self, FloatsKey a0) -> bool
15397 has_attribute(CombineProvenance self, IntsKey a0) -> bool
15398 has_attribute(CombineProvenance self, StringKey a0) -> bool
15399 has_attribute(CombineProvenance self, ParticleIndexKey a0) -> bool
15400 has_attribute(CombineProvenance self, ObjectKey a0) -> bool
15401 has_attribute(CombineProvenance self, SparseFloatKey a0) -> bool
15402 has_attribute(CombineProvenance self, SparseIntKey a0) -> bool
15403 has_attribute(CombineProvenance self, SparseStringKey a0) -> bool
15404 has_attribute(CombineProvenance self, SparseParticleIndexKey a0) -> bool
15406 return _IMP_core.CombineProvenance_has_attribute(self, *args)
15408 def get_derivative(self, a0):
15409 r"""get_derivative(CombineProvenance self, FloatKey a0) -> double"""
15410 return _IMP_core.CombineProvenance_get_derivative(self, a0)
15412 def get_name(self):
15413 r"""get_name(CombineProvenance self) -> std::string"""
15414 return _IMP_core.CombineProvenance_get_name(self)
15416 def clear_caches(self):
15417 r"""clear_caches(CombineProvenance self)"""
15418 return _IMP_core.CombineProvenance_clear_caches(self)
15420 def set_name(self, a0):
15421 r"""set_name(CombineProvenance self, std::string a0)"""
15422 return _IMP_core.CombineProvenance_set_name(self, a0)
15425 r"""set_check_level(CombineProvenance self, IMP::CheckLevel a0)"""
15426 return _IMP_core.CombineProvenance_set_check_level(self, a0)
15428 def add_to_derivative(self, a0, a1, a2):
15429 r"""add_to_derivative(CombineProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15430 return _IMP_core.CombineProvenance_add_to_derivative(self, a0, a1, a2)
15432 def set_is_optimized(self, a0, a1):
15433 r"""set_is_optimized(CombineProvenance self, FloatKey a0, bool a1)"""
15434 return _IMP_core.CombineProvenance_set_is_optimized(self, a0, a1)
15436 def get_is_optimized(self, a0):
15437 r"""get_is_optimized(CombineProvenance self, FloatKey a0) -> bool"""
15438 return _IMP_core.CombineProvenance_get_is_optimized(self, a0)
15441 r"""get_check_level(CombineProvenance self) -> IMP::CheckLevel"""
15442 return _IMP_core.CombineProvenance_get_check_level(self)
15444 def __eq__(self, *args):
15446 __eq__(CombineProvenance self, CombineProvenance o) -> bool
15447 __eq__(CombineProvenance self, Particle d) -> bool
15449 return _IMP_core.CombineProvenance___eq__(self, *args)
15451 def __ne__(self, *args):
15453 __ne__(CombineProvenance self, CombineProvenance o) -> bool
15454 __ne__(CombineProvenance self, Particle d) -> bool
15456 return _IMP_core.CombineProvenance___ne__(self, *args)
15458 def __le__(self, *args):
15460 __le__(CombineProvenance self, CombineProvenance o) -> bool
15461 __le__(CombineProvenance self, Particle d) -> bool
15463 return _IMP_core.CombineProvenance___le__(self, *args)
15465 def __lt__(self, *args):
15467 __lt__(CombineProvenance self, CombineProvenance o) -> bool
15468 __lt__(CombineProvenance self, Particle d) -> bool
15470 return _IMP_core.CombineProvenance___lt__(self, *args)
15472 def __ge__(self, *args):
15474 __ge__(CombineProvenance self, CombineProvenance o) -> bool
15475 __ge__(CombineProvenance self, Particle d) -> bool
15477 return _IMP_core.CombineProvenance___ge__(self, *args)
15479 def __gt__(self, *args):
15481 __gt__(CombineProvenance self, CombineProvenance o) -> bool
15482 __gt__(CombineProvenance self, Particle d) -> bool
15484 return _IMP_core.CombineProvenance___gt__(self, *args)
15486 def __hash__(self):
15487 r"""__hash__(CombineProvenance self) -> std::size_t"""
15488 return _IMP_core.CombineProvenance___hash__(self)
15491 r"""__str__(CombineProvenance self) -> std::string"""
15492 return _IMP_core.CombineProvenance___str__(self)
15494 def __repr__(self):
15495 r"""__repr__(CombineProvenance self) -> std::string"""
15496 return _IMP_core.CombineProvenance___repr__(self)
15498 def _get_as_binary(self):
15499 r"""_get_as_binary(CombineProvenance self) -> PyObject *"""
15500 return _IMP_core.CombineProvenance__get_as_binary(self)
15502 def _set_from_binary(self, p):
15503 r"""_set_from_binary(CombineProvenance self, PyObject * p)"""
15504 return _IMP_core.CombineProvenance__set_from_binary(self, p)
15506 def __getstate__(self):
15507 p = self._get_as_binary()
15508 if len(self.__dict__) > 1:
15509 d = self.__dict__.copy()
15514 def __setstate__(self, p):
15515 if not hasattr(self,
'this'):
15517 if isinstance(p, tuple):
15519 self.__dict__.update(d)
15520 return self._set_from_binary(p)
15522 __swig_destroy__ = _IMP_core.delete_CombineProvenance
15525 _IMP_core.CombineProvenance_swigregister(CombineProvenance)
15526 class FilterProvenance(Provenance):
15527 r"""Proxy of C++ IMP::core::FilterProvenance class."""
15529 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15531 def set_method(self, method):
15532 r"""set_method(FilterProvenance self, std::string method)"""
15533 return _IMP_core.FilterProvenance_set_method(self, method)
15535 def get_method(self):
15536 r"""get_method(FilterProvenance self) -> std::string"""
15537 return _IMP_core.FilterProvenance_get_method(self)
15539 def set_number_of_frames(self, frames):
15540 r"""set_number_of_frames(FilterProvenance self, int frames)"""
15541 return _IMP_core.FilterProvenance_set_number_of_frames(self, frames)
15544 r"""get_number_of_frames(FilterProvenance self) -> int"""
15545 return _IMP_core.FilterProvenance_get_number_of_frames(self)
15547 def set_threshold(self, threshold):
15548 r"""set_threshold(FilterProvenance self, double threshold)"""
15549 return _IMP_core.FilterProvenance_set_threshold(self, threshold)
15551 def get_threshold(self):
15552 r"""get_threshold(FilterProvenance self) -> double"""
15553 return _IMP_core.FilterProvenance_get_threshold(self)
15555 def __init__(self, *args):
15557 __init__(FilterProvenance self) -> FilterProvenance
15558 __init__(FilterProvenance self, Model m, ParticleIndex id) -> FilterProvenance
15559 __init__(FilterProvenance self, _ParticleAdaptor d) -> FilterProvenance
15561 _IMP_core.FilterProvenance_swiginit(self, _IMP_core.new_FilterProvenance(*args))
15564 def get_is_setup(*args):
15566 get_is_setup(Model m, ParticleIndex pi) -> bool
15567 get_is_setup(_ParticleAdaptor p) -> bool
15569 return _IMP_core.FilterProvenance_get_is_setup(*args)
15571 def show(self, *args):
15572 r"""show(FilterProvenance self, _ostream out=std::cout)"""
15573 return _IMP_core.FilterProvenance_show(self, *args)
15576 def setup_particle(*args):
15578 setup_particle(Model m, ParticleIndex pi, std::string method, double threshold, int frames) -> FilterProvenance
15579 setup_particle(_ParticleAdaptor pa, std::string method, double threshold, int frames) -> FilterProvenance
15580 setup_particle(Model m, ParticleIndex pi, FilterProvenance o) -> FilterProvenance
15581 setup_particle(_ParticleAdaptor pa, FilterProvenance o) -> FilterProvenance
15583 return _IMP_core.FilterProvenance_setup_particle(*args)
15585 def add_attribute(self, *args):
15587 add_attribute(FilterProvenance self, FloatKey k, IMP::Float v, bool opt)
15588 add_attribute(FilterProvenance self, FloatKey a0, IMP::Float a1)
15589 add_attribute(FilterProvenance self, IntKey a0, IMP::Int a1)
15590 add_attribute(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
15591 add_attribute(FilterProvenance self, IntsKey a0, IMP::Ints a1)
15592 add_attribute(FilterProvenance self, StringKey a0, IMP::String a1)
15593 add_attribute(FilterProvenance self, ParticleIndexKey a0, Particle a1)
15594 add_attribute(FilterProvenance self, ObjectKey a0, Object a1)
15595 add_attribute(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
15596 add_attribute(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
15597 add_attribute(FilterProvenance self, SparseStringKey a0, IMP::String a1)
15598 add_attribute(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15600 return _IMP_core.FilterProvenance_add_attribute(self, *args)
15602 def get_value(self, *args):
15604 get_value(FilterProvenance self, FloatKey a0) -> IMP::Float
15605 get_value(FilterProvenance self, IntKey a0) -> IMP::Int
15606 get_value(FilterProvenance self, FloatsKey a0) -> IMP::Floats
15607 get_value(FilterProvenance self, IntsKey a0) -> IMP::Ints
15608 get_value(FilterProvenance self, StringKey a0) -> IMP::String
15609 get_value(FilterProvenance self, ParticleIndexKey a0) -> Particle
15610 get_value(FilterProvenance self, ObjectKey a0) -> Object
15611 get_value(FilterProvenance self, SparseFloatKey a0) -> IMP::Float
15612 get_value(FilterProvenance self, SparseIntKey a0) -> IMP::Int
15613 get_value(FilterProvenance self, SparseStringKey a0) -> IMP::String
15614 get_value(FilterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15616 return _IMP_core.FilterProvenance_get_value(self, *args)
15618 def set_value(self, *args):
15620 set_value(FilterProvenance self, FloatKey a0, IMP::Float a1)
15621 set_value(FilterProvenance self, IntKey a0, IMP::Int a1)
15622 set_value(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
15623 set_value(FilterProvenance self, IntsKey a0, IMP::Ints a1)
15624 set_value(FilterProvenance self, StringKey a0, IMP::String a1)
15625 set_value(FilterProvenance self, ParticleIndexKey a0, Particle a1)
15626 set_value(FilterProvenance self, ObjectKey a0, Object a1)
15627 set_value(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
15628 set_value(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
15629 set_value(FilterProvenance self, SparseStringKey a0, IMP::String a1)
15630 set_value(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15632 return _IMP_core.FilterProvenance_set_value(self, *args)
15634 def remove_attribute(self, *args):
15636 remove_attribute(FilterProvenance self, FloatKey a0)
15637 remove_attribute(FilterProvenance self, IntKey a0)
15638 remove_attribute(FilterProvenance self, FloatsKey a0)
15639 remove_attribute(FilterProvenance self, IntsKey a0)
15640 remove_attribute(FilterProvenance self, StringKey a0)
15641 remove_attribute(FilterProvenance self, ParticleIndexKey a0)
15642 remove_attribute(FilterProvenance self, ObjectKey a0)
15643 remove_attribute(FilterProvenance self, SparseFloatKey a0)
15644 remove_attribute(FilterProvenance self, SparseIntKey a0)
15645 remove_attribute(FilterProvenance self, SparseStringKey a0)
15646 remove_attribute(FilterProvenance self, SparseParticleIndexKey a0)
15648 return _IMP_core.FilterProvenance_remove_attribute(self, *args)
15650 def has_attribute(self, *args):
15652 has_attribute(FilterProvenance self, FloatKey a0) -> bool
15653 has_attribute(FilterProvenance self, IntKey a0) -> bool
15654 has_attribute(FilterProvenance self, FloatsKey a0) -> bool
15655 has_attribute(FilterProvenance self, IntsKey a0) -> bool
15656 has_attribute(FilterProvenance self, StringKey a0) -> bool
15657 has_attribute(FilterProvenance self, ParticleIndexKey a0) -> bool
15658 has_attribute(FilterProvenance self, ObjectKey a0) -> bool
15659 has_attribute(FilterProvenance self, SparseFloatKey a0) -> bool
15660 has_attribute(FilterProvenance self, SparseIntKey a0) -> bool
15661 has_attribute(FilterProvenance self, SparseStringKey a0) -> bool
15662 has_attribute(FilterProvenance self, SparseParticleIndexKey a0) -> bool
15664 return _IMP_core.FilterProvenance_has_attribute(self, *args)
15666 def get_derivative(self, a0):
15667 r"""get_derivative(FilterProvenance self, FloatKey a0) -> double"""
15668 return _IMP_core.FilterProvenance_get_derivative(self, a0)
15670 def get_name(self):
15671 r"""get_name(FilterProvenance self) -> std::string"""
15672 return _IMP_core.FilterProvenance_get_name(self)
15674 def clear_caches(self):
15675 r"""clear_caches(FilterProvenance self)"""
15676 return _IMP_core.FilterProvenance_clear_caches(self)
15678 def set_name(self, a0):
15679 r"""set_name(FilterProvenance self, std::string a0)"""
15680 return _IMP_core.FilterProvenance_set_name(self, a0)
15683 r"""set_check_level(FilterProvenance self, IMP::CheckLevel a0)"""
15684 return _IMP_core.FilterProvenance_set_check_level(self, a0)
15686 def add_to_derivative(self, a0, a1, a2):
15687 r"""add_to_derivative(FilterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15688 return _IMP_core.FilterProvenance_add_to_derivative(self, a0, a1, a2)
15690 def set_is_optimized(self, a0, a1):
15691 r"""set_is_optimized(FilterProvenance self, FloatKey a0, bool a1)"""
15692 return _IMP_core.FilterProvenance_set_is_optimized(self, a0, a1)
15694 def get_is_optimized(self, a0):
15695 r"""get_is_optimized(FilterProvenance self, FloatKey a0) -> bool"""
15696 return _IMP_core.FilterProvenance_get_is_optimized(self, a0)
15699 r"""get_check_level(FilterProvenance self) -> IMP::CheckLevel"""
15700 return _IMP_core.FilterProvenance_get_check_level(self)
15702 def __eq__(self, *args):
15704 __eq__(FilterProvenance self, FilterProvenance o) -> bool
15705 __eq__(FilterProvenance self, Particle d) -> bool
15707 return _IMP_core.FilterProvenance___eq__(self, *args)
15709 def __ne__(self, *args):
15711 __ne__(FilterProvenance self, FilterProvenance o) -> bool
15712 __ne__(FilterProvenance self, Particle d) -> bool
15714 return _IMP_core.FilterProvenance___ne__(self, *args)
15716 def __le__(self, *args):
15718 __le__(FilterProvenance self, FilterProvenance o) -> bool
15719 __le__(FilterProvenance self, Particle d) -> bool
15721 return _IMP_core.FilterProvenance___le__(self, *args)
15723 def __lt__(self, *args):
15725 __lt__(FilterProvenance self, FilterProvenance o) -> bool
15726 __lt__(FilterProvenance self, Particle d) -> bool
15728 return _IMP_core.FilterProvenance___lt__(self, *args)
15730 def __ge__(self, *args):
15732 __ge__(FilterProvenance self, FilterProvenance o) -> bool
15733 __ge__(FilterProvenance self, Particle d) -> bool
15735 return _IMP_core.FilterProvenance___ge__(self, *args)
15737 def __gt__(self, *args):
15739 __gt__(FilterProvenance self, FilterProvenance o) -> bool
15740 __gt__(FilterProvenance self, Particle d) -> bool
15742 return _IMP_core.FilterProvenance___gt__(self, *args)
15744 def __hash__(self):
15745 r"""__hash__(FilterProvenance self) -> std::size_t"""
15746 return _IMP_core.FilterProvenance___hash__(self)
15749 r"""__str__(FilterProvenance self) -> std::string"""
15750 return _IMP_core.FilterProvenance___str__(self)
15752 def __repr__(self):
15753 r"""__repr__(FilterProvenance self) -> std::string"""
15754 return _IMP_core.FilterProvenance___repr__(self)
15756 def _get_as_binary(self):
15757 r"""_get_as_binary(FilterProvenance self) -> PyObject *"""
15758 return _IMP_core.FilterProvenance__get_as_binary(self)
15760 def _set_from_binary(self, p):
15761 r"""_set_from_binary(FilterProvenance self, PyObject * p)"""
15762 return _IMP_core.FilterProvenance__set_from_binary(self, p)
15764 def __getstate__(self):
15765 p = self._get_as_binary()
15766 if len(self.__dict__) > 1:
15767 d = self.__dict__.copy()
15772 def __setstate__(self, p):
15773 if not hasattr(self,
'this'):
15775 if isinstance(p, tuple):
15777 self.__dict__.update(d)
15778 return self._set_from_binary(p)
15780 __swig_destroy__ = _IMP_core.delete_FilterProvenance
15783 _IMP_core.FilterProvenance_swigregister(FilterProvenance)
15784 class ClusterProvenance(Provenance):
15785 r"""Proxy of C++ IMP::core::ClusterProvenance class."""
15787 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15789 def set_number_of_members(self, members):
15790 r"""set_number_of_members(ClusterProvenance self, int members)"""
15791 return _IMP_core.ClusterProvenance_set_number_of_members(self, members)
15793 def get_number_of_members(self):
15794 r"""get_number_of_members(ClusterProvenance self) -> int"""
15795 return _IMP_core.ClusterProvenance_get_number_of_members(self)
15797 def set_precision(self, precision):
15798 r"""set_precision(ClusterProvenance self, double precision)"""
15799 return _IMP_core.ClusterProvenance_set_precision(self, precision)
15801 def get_precision(self):
15802 r"""get_precision(ClusterProvenance self) -> double"""
15803 return _IMP_core.ClusterProvenance_get_precision(self)
15805 def set_density(self, density):
15806 r"""set_density(ClusterProvenance self, std::string density)"""
15807 return _IMP_core.ClusterProvenance_set_density(self, density)
15809 def get_density(self):
15810 r"""get_density(ClusterProvenance self) -> std::string"""
15811 return _IMP_core.ClusterProvenance_get_density(self)
15813 def __init__(self, *args):
15815 __init__(ClusterProvenance self) -> ClusterProvenance
15816 __init__(ClusterProvenance self, Model m, ParticleIndex id) -> ClusterProvenance
15817 __init__(ClusterProvenance self, _ParticleAdaptor d) -> ClusterProvenance
15819 _IMP_core.ClusterProvenance_swiginit(self, _IMP_core.new_ClusterProvenance(*args))
15822 def get_is_setup(*args):
15824 get_is_setup(Model m, ParticleIndex pi) -> bool
15825 get_is_setup(_ParticleAdaptor p) -> bool
15827 return _IMP_core.ClusterProvenance_get_is_setup(*args)
15829 def show(self, *args):
15830 r"""show(ClusterProvenance self, _ostream out=std::cout)"""
15831 return _IMP_core.ClusterProvenance_show(self, *args)
15834 def setup_particle(*args):
15836 setup_particle(Model m, ParticleIndex pi, int members) -> ClusterProvenance
15837 setup_particle(_ParticleAdaptor pa, int members) -> ClusterProvenance
15838 setup_particle(Model m, ParticleIndex pi, int members, double precision) -> ClusterProvenance
15839 setup_particle(_ParticleAdaptor pa, int members, double precision) -> ClusterProvenance
15840 setup_particle(Model m, ParticleIndex pi, int members, double precision, std::string density) -> ClusterProvenance
15841 setup_particle(_ParticleAdaptor pa, int members, double precision, std::string density) -> ClusterProvenance
15842 setup_particle(Model m, ParticleIndex pi, ClusterProvenance o) -> ClusterProvenance
15843 setup_particle(_ParticleAdaptor pa, ClusterProvenance o) -> ClusterProvenance
15845 return _IMP_core.ClusterProvenance_setup_particle(*args)
15847 def add_attribute(self, *args):
15849 add_attribute(ClusterProvenance self, FloatKey k, IMP::Float v, bool opt)
15850 add_attribute(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15851 add_attribute(ClusterProvenance self, IntKey a0, IMP::Int a1)
15852 add_attribute(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15853 add_attribute(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15854 add_attribute(ClusterProvenance self, StringKey a0, IMP::String a1)
15855 add_attribute(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15856 add_attribute(ClusterProvenance self, ObjectKey a0, Object a1)
15857 add_attribute(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15858 add_attribute(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15859 add_attribute(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15860 add_attribute(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15862 return _IMP_core.ClusterProvenance_add_attribute(self, *args)
15864 def get_value(self, *args):
15866 get_value(ClusterProvenance self, FloatKey a0) -> IMP::Float
15867 get_value(ClusterProvenance self, IntKey a0) -> IMP::Int
15868 get_value(ClusterProvenance self, FloatsKey a0) -> IMP::Floats
15869 get_value(ClusterProvenance self, IntsKey a0) -> IMP::Ints
15870 get_value(ClusterProvenance self, StringKey a0) -> IMP::String
15871 get_value(ClusterProvenance self, ParticleIndexKey a0) -> Particle
15872 get_value(ClusterProvenance self, ObjectKey a0) -> Object
15873 get_value(ClusterProvenance self, SparseFloatKey a0) -> IMP::Float
15874 get_value(ClusterProvenance self, SparseIntKey a0) -> IMP::Int
15875 get_value(ClusterProvenance self, SparseStringKey a0) -> IMP::String
15876 get_value(ClusterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15878 return _IMP_core.ClusterProvenance_get_value(self, *args)
15880 def set_value(self, *args):
15882 set_value(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15883 set_value(ClusterProvenance self, IntKey a0, IMP::Int a1)
15884 set_value(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15885 set_value(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15886 set_value(ClusterProvenance self, StringKey a0, IMP::String a1)
15887 set_value(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15888 set_value(ClusterProvenance self, ObjectKey a0, Object a1)
15889 set_value(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15890 set_value(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15891 set_value(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15892 set_value(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15894 return _IMP_core.ClusterProvenance_set_value(self, *args)
15896 def remove_attribute(self, *args):
15898 remove_attribute(ClusterProvenance self, FloatKey a0)
15899 remove_attribute(ClusterProvenance self, IntKey a0)
15900 remove_attribute(ClusterProvenance self, FloatsKey a0)
15901 remove_attribute(ClusterProvenance self, IntsKey a0)
15902 remove_attribute(ClusterProvenance self, StringKey a0)
15903 remove_attribute(ClusterProvenance self, ParticleIndexKey a0)
15904 remove_attribute(ClusterProvenance self, ObjectKey a0)
15905 remove_attribute(ClusterProvenance self, SparseFloatKey a0)
15906 remove_attribute(ClusterProvenance self, SparseIntKey a0)
15907 remove_attribute(ClusterProvenance self, SparseStringKey a0)
15908 remove_attribute(ClusterProvenance self, SparseParticleIndexKey a0)
15910 return _IMP_core.ClusterProvenance_remove_attribute(self, *args)
15912 def has_attribute(self, *args):
15914 has_attribute(ClusterProvenance self, FloatKey a0) -> bool
15915 has_attribute(ClusterProvenance self, IntKey a0) -> bool
15916 has_attribute(ClusterProvenance self, FloatsKey a0) -> bool
15917 has_attribute(ClusterProvenance self, IntsKey a0) -> bool
15918 has_attribute(ClusterProvenance self, StringKey a0) -> bool
15919 has_attribute(ClusterProvenance self, ParticleIndexKey a0) -> bool
15920 has_attribute(ClusterProvenance self, ObjectKey a0) -> bool
15921 has_attribute(ClusterProvenance self, SparseFloatKey a0) -> bool
15922 has_attribute(ClusterProvenance self, SparseIntKey a0) -> bool
15923 has_attribute(ClusterProvenance self, SparseStringKey a0) -> bool
15924 has_attribute(ClusterProvenance self, SparseParticleIndexKey a0) -> bool
15926 return _IMP_core.ClusterProvenance_has_attribute(self, *args)
15928 def get_derivative(self, a0):
15929 r"""get_derivative(ClusterProvenance self, FloatKey a0) -> double"""
15930 return _IMP_core.ClusterProvenance_get_derivative(self, a0)
15932 def get_name(self):
15933 r"""get_name(ClusterProvenance self) -> std::string"""
15934 return _IMP_core.ClusterProvenance_get_name(self)
15936 def clear_caches(self):
15937 r"""clear_caches(ClusterProvenance self)"""
15938 return _IMP_core.ClusterProvenance_clear_caches(self)
15940 def set_name(self, a0):
15941 r"""set_name(ClusterProvenance self, std::string a0)"""
15942 return _IMP_core.ClusterProvenance_set_name(self, a0)
15945 r"""set_check_level(ClusterProvenance self, IMP::CheckLevel a0)"""
15946 return _IMP_core.ClusterProvenance_set_check_level(self, a0)
15948 def add_to_derivative(self, a0, a1, a2):
15949 r"""add_to_derivative(ClusterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15950 return _IMP_core.ClusterProvenance_add_to_derivative(self, a0, a1, a2)
15952 def set_is_optimized(self, a0, a1):
15953 r"""set_is_optimized(ClusterProvenance self, FloatKey a0, bool a1)"""
15954 return _IMP_core.ClusterProvenance_set_is_optimized(self, a0, a1)
15956 def get_is_optimized(self, a0):
15957 r"""get_is_optimized(ClusterProvenance self, FloatKey a0) -> bool"""
15958 return _IMP_core.ClusterProvenance_get_is_optimized(self, a0)
15961 r"""get_check_level(ClusterProvenance self) -> IMP::CheckLevel"""
15962 return _IMP_core.ClusterProvenance_get_check_level(self)
15964 def __eq__(self, *args):
15966 __eq__(ClusterProvenance self, ClusterProvenance o) -> bool
15967 __eq__(ClusterProvenance self, Particle d) -> bool
15969 return _IMP_core.ClusterProvenance___eq__(self, *args)
15971 def __ne__(self, *args):
15973 __ne__(ClusterProvenance self, ClusterProvenance o) -> bool
15974 __ne__(ClusterProvenance self, Particle d) -> bool
15976 return _IMP_core.ClusterProvenance___ne__(self, *args)
15978 def __le__(self, *args):
15980 __le__(ClusterProvenance self, ClusterProvenance o) -> bool
15981 __le__(ClusterProvenance self, Particle d) -> bool
15983 return _IMP_core.ClusterProvenance___le__(self, *args)
15985 def __lt__(self, *args):
15987 __lt__(ClusterProvenance self, ClusterProvenance o) -> bool
15988 __lt__(ClusterProvenance self, Particle d) -> bool
15990 return _IMP_core.ClusterProvenance___lt__(self, *args)
15992 def __ge__(self, *args):
15994 __ge__(ClusterProvenance self, ClusterProvenance o) -> bool
15995 __ge__(ClusterProvenance self, Particle d) -> bool
15997 return _IMP_core.ClusterProvenance___ge__(self, *args)
15999 def __gt__(self, *args):
16001 __gt__(ClusterProvenance self, ClusterProvenance o) -> bool
16002 __gt__(ClusterProvenance self, Particle d) -> bool
16004 return _IMP_core.ClusterProvenance___gt__(self, *args)
16006 def __hash__(self):
16007 r"""__hash__(ClusterProvenance self) -> std::size_t"""
16008 return _IMP_core.ClusterProvenance___hash__(self)
16011 r"""__str__(ClusterProvenance self) -> std::string"""
16012 return _IMP_core.ClusterProvenance___str__(self)
16014 def __repr__(self):
16015 r"""__repr__(ClusterProvenance self) -> std::string"""
16016 return _IMP_core.ClusterProvenance___repr__(self)
16018 def _get_as_binary(self):
16019 r"""_get_as_binary(ClusterProvenance self) -> PyObject *"""
16020 return _IMP_core.ClusterProvenance__get_as_binary(self)
16022 def _set_from_binary(self, p):
16023 r"""_set_from_binary(ClusterProvenance self, PyObject * p)"""
16024 return _IMP_core.ClusterProvenance__set_from_binary(self, p)
16026 def __getstate__(self):
16027 p = self._get_as_binary()
16028 if len(self.__dict__) > 1:
16029 d = self.__dict__.copy()
16034 def __setstate__(self, p):
16035 if not hasattr(self,
'this'):
16037 if isinstance(p, tuple):
16039 self.__dict__.update(d)
16040 return self._set_from_binary(p)
16042 __swig_destroy__ = _IMP_core.delete_ClusterProvenance
16045 _IMP_core.ClusterProvenance_swigregister(ClusterProvenance)
16046 class ScriptProvenance(Provenance):
16047 r"""Proxy of C++ IMP::core::ScriptProvenance class."""
16049 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16051 def set_filename(self, filename):
16052 r"""set_filename(ScriptProvenance self, std::string filename)"""
16053 return _IMP_core.ScriptProvenance_set_filename(self, filename)
16055 def get_filename(self):
16056 r"""get_filename(ScriptProvenance self) -> std::string"""
16057 return _IMP_core.ScriptProvenance_get_filename(self)
16059 def __init__(self, *args):
16061 __init__(ScriptProvenance self) -> ScriptProvenance
16062 __init__(ScriptProvenance self, Model m, ParticleIndex id) -> ScriptProvenance
16063 __init__(ScriptProvenance self, _ParticleAdaptor d) -> ScriptProvenance
16065 _IMP_core.ScriptProvenance_swiginit(self, _IMP_core.new_ScriptProvenance(*args))
16068 def get_is_setup(*args):
16070 get_is_setup(Model m, ParticleIndex pi) -> bool
16071 get_is_setup(_ParticleAdaptor p) -> bool
16073 return _IMP_core.ScriptProvenance_get_is_setup(*args)
16075 def show(self, *args):
16076 r"""show(ScriptProvenance self, _ostream out=std::cout)"""
16077 return _IMP_core.ScriptProvenance_show(self, *args)
16080 def setup_particle(*args):
16082 setup_particle(Model m, ParticleIndex pi, std::string filename) -> ScriptProvenance
16083 setup_particle(_ParticleAdaptor pa, std::string filename) -> ScriptProvenance
16084 setup_particle(Model m, ParticleIndex pi, ScriptProvenance o) -> ScriptProvenance
16085 setup_particle(_ParticleAdaptor pa, ScriptProvenance o) -> ScriptProvenance
16087 return _IMP_core.ScriptProvenance_setup_particle(*args)
16089 def add_attribute(self, *args):
16091 add_attribute(ScriptProvenance self, FloatKey k, IMP::Float v, bool opt)
16092 add_attribute(ScriptProvenance self, FloatKey a0, IMP::Float a1)
16093 add_attribute(ScriptProvenance self, IntKey a0, IMP::Int a1)
16094 add_attribute(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
16095 add_attribute(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
16096 add_attribute(ScriptProvenance self, StringKey a0, IMP::String a1)
16097 add_attribute(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
16098 add_attribute(ScriptProvenance self, ObjectKey a0, Object a1)
16099 add_attribute(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
16100 add_attribute(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
16101 add_attribute(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
16102 add_attribute(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16104 return _IMP_core.ScriptProvenance_add_attribute(self, *args)
16106 def get_value(self, *args):
16108 get_value(ScriptProvenance self, FloatKey a0) -> IMP::Float
16109 get_value(ScriptProvenance self, IntKey a0) -> IMP::Int
16110 get_value(ScriptProvenance self, FloatsKey a0) -> IMP::Floats
16111 get_value(ScriptProvenance self, IntsKey a0) -> IMP::Ints
16112 get_value(ScriptProvenance self, StringKey a0) -> IMP::String
16113 get_value(ScriptProvenance self, ParticleIndexKey a0) -> Particle
16114 get_value(ScriptProvenance self, ObjectKey a0) -> Object
16115 get_value(ScriptProvenance self, SparseFloatKey a0) -> IMP::Float
16116 get_value(ScriptProvenance self, SparseIntKey a0) -> IMP::Int
16117 get_value(ScriptProvenance self, SparseStringKey a0) -> IMP::String
16118 get_value(ScriptProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
16120 return _IMP_core.ScriptProvenance_get_value(self, *args)
16122 def set_value(self, *args):
16124 set_value(ScriptProvenance self, FloatKey a0, IMP::Float a1)
16125 set_value(ScriptProvenance self, IntKey a0, IMP::Int a1)
16126 set_value(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
16127 set_value(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
16128 set_value(ScriptProvenance self, StringKey a0, IMP::String a1)
16129 set_value(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
16130 set_value(ScriptProvenance self, ObjectKey a0, Object a1)
16131 set_value(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
16132 set_value(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
16133 set_value(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
16134 set_value(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16136 return _IMP_core.ScriptProvenance_set_value(self, *args)
16138 def remove_attribute(self, *args):
16140 remove_attribute(ScriptProvenance self, FloatKey a0)
16141 remove_attribute(ScriptProvenance self, IntKey a0)
16142 remove_attribute(ScriptProvenance self, FloatsKey a0)
16143 remove_attribute(ScriptProvenance self, IntsKey a0)
16144 remove_attribute(ScriptProvenance self, StringKey a0)
16145 remove_attribute(ScriptProvenance self, ParticleIndexKey a0)
16146 remove_attribute(ScriptProvenance self, ObjectKey a0)
16147 remove_attribute(ScriptProvenance self, SparseFloatKey a0)
16148 remove_attribute(ScriptProvenance self, SparseIntKey a0)
16149 remove_attribute(ScriptProvenance self, SparseStringKey a0)
16150 remove_attribute(ScriptProvenance self, SparseParticleIndexKey a0)
16152 return _IMP_core.ScriptProvenance_remove_attribute(self, *args)
16154 def has_attribute(self, *args):
16156 has_attribute(ScriptProvenance self, FloatKey a0) -> bool
16157 has_attribute(ScriptProvenance self, IntKey a0) -> bool
16158 has_attribute(ScriptProvenance self, FloatsKey a0) -> bool
16159 has_attribute(ScriptProvenance self, IntsKey a0) -> bool
16160 has_attribute(ScriptProvenance self, StringKey a0) -> bool
16161 has_attribute(ScriptProvenance self, ParticleIndexKey a0) -> bool
16162 has_attribute(ScriptProvenance self, ObjectKey a0) -> bool
16163 has_attribute(ScriptProvenance self, SparseFloatKey a0) -> bool
16164 has_attribute(ScriptProvenance self, SparseIntKey a0) -> bool
16165 has_attribute(ScriptProvenance self, SparseStringKey a0) -> bool
16166 has_attribute(ScriptProvenance self, SparseParticleIndexKey a0) -> bool
16168 return _IMP_core.ScriptProvenance_has_attribute(self, *args)
16170 def get_derivative(self, a0):
16171 r"""get_derivative(ScriptProvenance self, FloatKey a0) -> double"""
16172 return _IMP_core.ScriptProvenance_get_derivative(self, a0)
16174 def get_name(self):
16175 r"""get_name(ScriptProvenance self) -> std::string"""
16176 return _IMP_core.ScriptProvenance_get_name(self)
16178 def clear_caches(self):
16179 r"""clear_caches(ScriptProvenance self)"""
16180 return _IMP_core.ScriptProvenance_clear_caches(self)
16182 def set_name(self, a0):
16183 r"""set_name(ScriptProvenance self, std::string a0)"""
16184 return _IMP_core.ScriptProvenance_set_name(self, a0)
16187 r"""set_check_level(ScriptProvenance self, IMP::CheckLevel a0)"""
16188 return _IMP_core.ScriptProvenance_set_check_level(self, a0)
16190 def add_to_derivative(self, a0, a1, a2):
16191 r"""add_to_derivative(ScriptProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16192 return _IMP_core.ScriptProvenance_add_to_derivative(self, a0, a1, a2)
16194 def set_is_optimized(self, a0, a1):
16195 r"""set_is_optimized(ScriptProvenance self, FloatKey a0, bool a1)"""
16196 return _IMP_core.ScriptProvenance_set_is_optimized(self, a0, a1)
16198 def get_is_optimized(self, a0):
16199 r"""get_is_optimized(ScriptProvenance self, FloatKey a0) -> bool"""
16200 return _IMP_core.ScriptProvenance_get_is_optimized(self, a0)
16203 r"""get_check_level(ScriptProvenance self) -> IMP::CheckLevel"""
16204 return _IMP_core.ScriptProvenance_get_check_level(self)
16206 def __eq__(self, *args):
16208 __eq__(ScriptProvenance self, ScriptProvenance o) -> bool
16209 __eq__(ScriptProvenance self, Particle d) -> bool
16211 return _IMP_core.ScriptProvenance___eq__(self, *args)
16213 def __ne__(self, *args):
16215 __ne__(ScriptProvenance self, ScriptProvenance o) -> bool
16216 __ne__(ScriptProvenance self, Particle d) -> bool
16218 return _IMP_core.ScriptProvenance___ne__(self, *args)
16220 def __le__(self, *args):
16222 __le__(ScriptProvenance self, ScriptProvenance o) -> bool
16223 __le__(ScriptProvenance self, Particle d) -> bool
16225 return _IMP_core.ScriptProvenance___le__(self, *args)
16227 def __lt__(self, *args):
16229 __lt__(ScriptProvenance self, ScriptProvenance o) -> bool
16230 __lt__(ScriptProvenance self, Particle d) -> bool
16232 return _IMP_core.ScriptProvenance___lt__(self, *args)
16234 def __ge__(self, *args):
16236 __ge__(ScriptProvenance self, ScriptProvenance o) -> bool
16237 __ge__(ScriptProvenance self, Particle d) -> bool
16239 return _IMP_core.ScriptProvenance___ge__(self, *args)
16241 def __gt__(self, *args):
16243 __gt__(ScriptProvenance self, ScriptProvenance o) -> bool
16244 __gt__(ScriptProvenance self, Particle d) -> bool
16246 return _IMP_core.ScriptProvenance___gt__(self, *args)
16248 def __hash__(self):
16249 r"""__hash__(ScriptProvenance self) -> std::size_t"""
16250 return _IMP_core.ScriptProvenance___hash__(self)
16253 r"""__str__(ScriptProvenance self) -> std::string"""
16254 return _IMP_core.ScriptProvenance___str__(self)
16256 def __repr__(self):
16257 r"""__repr__(ScriptProvenance self) -> std::string"""
16258 return _IMP_core.ScriptProvenance___repr__(self)
16260 def _get_as_binary(self):
16261 r"""_get_as_binary(ScriptProvenance self) -> PyObject *"""
16262 return _IMP_core.ScriptProvenance__get_as_binary(self)
16264 def _set_from_binary(self, p):
16265 r"""_set_from_binary(ScriptProvenance self, PyObject * p)"""
16266 return _IMP_core.ScriptProvenance__set_from_binary(self, p)
16268 def __getstate__(self):
16269 p = self._get_as_binary()
16270 if len(self.__dict__) > 1:
16271 d = self.__dict__.copy()
16276 def __setstate__(self, p):
16277 if not hasattr(self,
'this'):
16279 if isinstance(p, tuple):
16281 self.__dict__.update(d)
16282 return self._set_from_binary(p)
16284 __swig_destroy__ = _IMP_core.delete_ScriptProvenance
16287 _IMP_core.ScriptProvenance_swigregister(ScriptProvenance)
16288 class SoftwareProvenance(Provenance):
16289 r"""Proxy of C++ IMP::core::SoftwareProvenance class."""
16291 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16293 def set_software_name(self, name):
16294 r"""set_software_name(SoftwareProvenance self, std::string name)"""
16295 return _IMP_core.SoftwareProvenance_set_software_name(self, name)
16297 def get_software_name(self):
16298 r"""get_software_name(SoftwareProvenance self) -> std::string"""
16299 return _IMP_core.SoftwareProvenance_get_software_name(self)
16301 def set_version(self, version):
16302 r"""set_version(SoftwareProvenance self, std::string version)"""
16303 return _IMP_core.SoftwareProvenance_set_version(self, version)
16305 def get_version(self):
16306 r"""get_version(SoftwareProvenance self) -> std::string"""
16307 return _IMP_core.SoftwareProvenance_get_version(self)
16309 def set_location(self, location):
16310 r"""set_location(SoftwareProvenance self, std::string location)"""
16311 return _IMP_core.SoftwareProvenance_set_location(self, location)
16313 def get_location(self):
16314 r"""get_location(SoftwareProvenance self) -> std::string"""
16315 return _IMP_core.SoftwareProvenance_get_location(self)
16317 def __init__(self, *args):
16319 __init__(SoftwareProvenance self) -> SoftwareProvenance
16320 __init__(SoftwareProvenance self, Model m, ParticleIndex id) -> SoftwareProvenance
16321 __init__(SoftwareProvenance self, _ParticleAdaptor d) -> SoftwareProvenance
16323 _IMP_core.SoftwareProvenance_swiginit(self, _IMP_core.new_SoftwareProvenance(*args))
16326 def get_is_setup(*args):
16328 get_is_setup(Model m, ParticleIndex pi) -> bool
16329 get_is_setup(_ParticleAdaptor p) -> bool
16331 return _IMP_core.SoftwareProvenance_get_is_setup(*args)
16333 def show(self, *args):
16334 r"""show(SoftwareProvenance self, _ostream out=std::cout)"""
16335 return _IMP_core.SoftwareProvenance_show(self, *args)
16338 def setup_particle(*args):
16340 setup_particle(Model m, ParticleIndex pi, std::string name, std::string version, std::string location) -> SoftwareProvenance
16341 setup_particle(_ParticleAdaptor pa, std::string name, std::string version, std::string location) -> SoftwareProvenance
16342 setup_particle(Model m, ParticleIndex pi, SoftwareProvenance o) -> SoftwareProvenance
16343 setup_particle(_ParticleAdaptor pa, SoftwareProvenance o) -> SoftwareProvenance
16345 return _IMP_core.SoftwareProvenance_setup_particle(*args)
16347 def add_attribute(self, *args):
16349 add_attribute(SoftwareProvenance self, FloatKey k, IMP::Float v, bool opt)
16350 add_attribute(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
16351 add_attribute(SoftwareProvenance self, IntKey a0, IMP::Int a1)
16352 add_attribute(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
16353 add_attribute(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
16354 add_attribute(SoftwareProvenance self, StringKey a0, IMP::String a1)
16355 add_attribute(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
16356 add_attribute(SoftwareProvenance self, ObjectKey a0, Object a1)
16357 add_attribute(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
16358 add_attribute(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
16359 add_attribute(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
16360 add_attribute(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16362 return _IMP_core.SoftwareProvenance_add_attribute(self, *args)
16364 def get_value(self, *args):
16366 get_value(SoftwareProvenance self, FloatKey a0) -> IMP::Float
16367 get_value(SoftwareProvenance self, IntKey a0) -> IMP::Int
16368 get_value(SoftwareProvenance self, FloatsKey a0) -> IMP::Floats
16369 get_value(SoftwareProvenance self, IntsKey a0) -> IMP::Ints
16370 get_value(SoftwareProvenance self, StringKey a0) -> IMP::String
16371 get_value(SoftwareProvenance self, ParticleIndexKey a0) -> Particle
16372 get_value(SoftwareProvenance self, ObjectKey a0) -> Object
16373 get_value(SoftwareProvenance self, SparseFloatKey a0) -> IMP::Float
16374 get_value(SoftwareProvenance self, SparseIntKey a0) -> IMP::Int
16375 get_value(SoftwareProvenance self, SparseStringKey a0) -> IMP::String
16376 get_value(SoftwareProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
16378 return _IMP_core.SoftwareProvenance_get_value(self, *args)
16380 def set_value(self, *args):
16382 set_value(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
16383 set_value(SoftwareProvenance self, IntKey a0, IMP::Int a1)
16384 set_value(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
16385 set_value(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
16386 set_value(SoftwareProvenance self, StringKey a0, IMP::String a1)
16387 set_value(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
16388 set_value(SoftwareProvenance self, ObjectKey a0, Object a1)
16389 set_value(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
16390 set_value(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
16391 set_value(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
16392 set_value(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16394 return _IMP_core.SoftwareProvenance_set_value(self, *args)
16396 def remove_attribute(self, *args):
16398 remove_attribute(SoftwareProvenance self, FloatKey a0)
16399 remove_attribute(SoftwareProvenance self, IntKey a0)
16400 remove_attribute(SoftwareProvenance self, FloatsKey a0)
16401 remove_attribute(SoftwareProvenance self, IntsKey a0)
16402 remove_attribute(SoftwareProvenance self, StringKey a0)
16403 remove_attribute(SoftwareProvenance self, ParticleIndexKey a0)
16404 remove_attribute(SoftwareProvenance self, ObjectKey a0)
16405 remove_attribute(SoftwareProvenance self, SparseFloatKey a0)
16406 remove_attribute(SoftwareProvenance self, SparseIntKey a0)
16407 remove_attribute(SoftwareProvenance self, SparseStringKey a0)
16408 remove_attribute(SoftwareProvenance self, SparseParticleIndexKey a0)
16410 return _IMP_core.SoftwareProvenance_remove_attribute(self, *args)
16412 def has_attribute(self, *args):
16414 has_attribute(SoftwareProvenance self, FloatKey a0) -> bool
16415 has_attribute(SoftwareProvenance self, IntKey a0) -> bool
16416 has_attribute(SoftwareProvenance self, FloatsKey a0) -> bool
16417 has_attribute(SoftwareProvenance self, IntsKey a0) -> bool
16418 has_attribute(SoftwareProvenance self, StringKey a0) -> bool
16419 has_attribute(SoftwareProvenance self, ParticleIndexKey a0) -> bool
16420 has_attribute(SoftwareProvenance self, ObjectKey a0) -> bool
16421 has_attribute(SoftwareProvenance self, SparseFloatKey a0) -> bool
16422 has_attribute(SoftwareProvenance self, SparseIntKey a0) -> bool
16423 has_attribute(SoftwareProvenance self, SparseStringKey a0) -> bool
16424 has_attribute(SoftwareProvenance self, SparseParticleIndexKey a0) -> bool
16426 return _IMP_core.SoftwareProvenance_has_attribute(self, *args)
16428 def get_derivative(self, a0):
16429 r"""get_derivative(SoftwareProvenance self, FloatKey a0) -> double"""
16430 return _IMP_core.SoftwareProvenance_get_derivative(self, a0)
16432 def get_name(self):
16433 r"""get_name(SoftwareProvenance self) -> std::string"""
16434 return _IMP_core.SoftwareProvenance_get_name(self)
16436 def clear_caches(self):
16437 r"""clear_caches(SoftwareProvenance self)"""
16438 return _IMP_core.SoftwareProvenance_clear_caches(self)
16440 def set_name(self, a0):
16441 r"""set_name(SoftwareProvenance self, std::string a0)"""
16442 return _IMP_core.SoftwareProvenance_set_name(self, a0)
16445 r"""set_check_level(SoftwareProvenance self, IMP::CheckLevel a0)"""
16446 return _IMP_core.SoftwareProvenance_set_check_level(self, a0)
16448 def add_to_derivative(self, a0, a1, a2):
16449 r"""add_to_derivative(SoftwareProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16450 return _IMP_core.SoftwareProvenance_add_to_derivative(self, a0, a1, a2)
16452 def set_is_optimized(self, a0, a1):
16453 r"""set_is_optimized(SoftwareProvenance self, FloatKey a0, bool a1)"""
16454 return _IMP_core.SoftwareProvenance_set_is_optimized(self, a0, a1)
16456 def get_is_optimized(self, a0):
16457 r"""get_is_optimized(SoftwareProvenance self, FloatKey a0) -> bool"""
16458 return _IMP_core.SoftwareProvenance_get_is_optimized(self, a0)
16461 r"""get_check_level(SoftwareProvenance self) -> IMP::CheckLevel"""
16462 return _IMP_core.SoftwareProvenance_get_check_level(self)
16464 def __eq__(self, *args):
16466 __eq__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16467 __eq__(SoftwareProvenance self, Particle d) -> bool
16469 return _IMP_core.SoftwareProvenance___eq__(self, *args)
16471 def __ne__(self, *args):
16473 __ne__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16474 __ne__(SoftwareProvenance self, Particle d) -> bool
16476 return _IMP_core.SoftwareProvenance___ne__(self, *args)
16478 def __le__(self, *args):
16480 __le__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16481 __le__(SoftwareProvenance self, Particle d) -> bool
16483 return _IMP_core.SoftwareProvenance___le__(self, *args)
16485 def __lt__(self, *args):
16487 __lt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16488 __lt__(SoftwareProvenance self, Particle d) -> bool
16490 return _IMP_core.SoftwareProvenance___lt__(self, *args)
16492 def __ge__(self, *args):
16494 __ge__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16495 __ge__(SoftwareProvenance self, Particle d) -> bool
16497 return _IMP_core.SoftwareProvenance___ge__(self, *args)
16499 def __gt__(self, *args):
16501 __gt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16502 __gt__(SoftwareProvenance self, Particle d) -> bool
16504 return _IMP_core.SoftwareProvenance___gt__(self, *args)
16506 def __hash__(self):
16507 r"""__hash__(SoftwareProvenance self) -> std::size_t"""
16508 return _IMP_core.SoftwareProvenance___hash__(self)
16511 r"""__str__(SoftwareProvenance self) -> std::string"""
16512 return _IMP_core.SoftwareProvenance___str__(self)
16514 def __repr__(self):
16515 r"""__repr__(SoftwareProvenance self) -> std::string"""
16516 return _IMP_core.SoftwareProvenance___repr__(self)
16518 def _get_as_binary(self):
16519 r"""_get_as_binary(SoftwareProvenance self) -> PyObject *"""
16520 return _IMP_core.SoftwareProvenance__get_as_binary(self)
16522 def _set_from_binary(self, p):
16523 r"""_set_from_binary(SoftwareProvenance self, PyObject * p)"""
16524 return _IMP_core.SoftwareProvenance__set_from_binary(self, p)
16526 def __getstate__(self):
16527 p = self._get_as_binary()
16528 if len(self.__dict__) > 1:
16529 d = self.__dict__.copy()
16534 def __setstate__(self, p):
16535 if not hasattr(self,
'this'):
16537 if isinstance(p, tuple):
16539 self.__dict__.update(d)
16540 return self._set_from_binary(p)
16542 __swig_destroy__ = _IMP_core.delete_SoftwareProvenance
16545 _IMP_core.SoftwareProvenance_swigregister(SoftwareProvenance)
16547 r"""Proxy of C++ IMP::core::Provenanced class."""
16549 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16551 def get_provenance(self):
16552 r"""get_provenance(Provenanced self) -> Provenance"""
16553 return _IMP_core.Provenanced_get_provenance(self)
16555 def set_provenance(self, p):
16556 r"""set_provenance(Provenanced self, Provenance p)"""
16557 return _IMP_core.Provenanced_set_provenance(self, p)
16559 def __init__(self, *args):
16561 __init__(Provenanced self) -> Provenanced
16562 __init__(Provenanced self, Model m, ParticleIndex id) -> Provenanced
16563 __init__(Provenanced self, _ParticleAdaptor d) -> Provenanced
16565 _IMP_core.Provenanced_swiginit(self, _IMP_core.new_Provenanced(*args))
16568 def get_is_setup(*args):
16570 get_is_setup(Model m, ParticleIndex pi) -> bool
16571 get_is_setup(_ParticleAdaptor p) -> bool
16573 return _IMP_core.Provenanced_get_is_setup(*args)
16575 def show(self, *args):
16576 r"""show(Provenanced self, _ostream out=std::cout)"""
16577 return _IMP_core.Provenanced_show(self, *args)
16580 def setup_particle(*args):
16582 setup_particle(Model m, ParticleIndex pi, Provenance p) -> Provenanced
16583 setup_particle(_ParticleAdaptor pa, Provenance p) -> Provenanced
16585 return _IMP_core.Provenanced_setup_particle(*args)
16587 def add_attribute(self, *args):
16589 add_attribute(Provenanced self, FloatKey k, IMP::Float v, bool opt)
16590 add_attribute(Provenanced self, FloatKey a0, IMP::Float a1)
16591 add_attribute(Provenanced self, IntKey a0, IMP::Int a1)
16592 add_attribute(Provenanced self, FloatsKey a0, IMP::Floats a1)
16593 add_attribute(Provenanced self, IntsKey a0, IMP::Ints a1)
16594 add_attribute(Provenanced self, StringKey a0, IMP::String a1)
16595 add_attribute(Provenanced self, ParticleIndexKey a0, Particle a1)
16596 add_attribute(Provenanced self, ObjectKey a0, Object a1)
16597 add_attribute(Provenanced self, SparseFloatKey a0, IMP::Float a1)
16598 add_attribute(Provenanced self, SparseIntKey a0, IMP::Int a1)
16599 add_attribute(Provenanced self, SparseStringKey a0, IMP::String a1)
16600 add_attribute(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
16602 return _IMP_core.Provenanced_add_attribute(self, *args)
16604 def get_value(self, *args):
16606 get_value(Provenanced self, FloatKey a0) -> IMP::Float
16607 get_value(Provenanced self, IntKey a0) -> IMP::Int
16608 get_value(Provenanced self, FloatsKey a0) -> IMP::Floats
16609 get_value(Provenanced self, IntsKey a0) -> IMP::Ints
16610 get_value(Provenanced self, StringKey a0) -> IMP::String
16611 get_value(Provenanced self, ParticleIndexKey a0) -> Particle
16612 get_value(Provenanced self, ObjectKey a0) -> Object
16613 get_value(Provenanced self, SparseFloatKey a0) -> IMP::Float
16614 get_value(Provenanced self, SparseIntKey a0) -> IMP::Int
16615 get_value(Provenanced self, SparseStringKey a0) -> IMP::String
16616 get_value(Provenanced self, SparseParticleIndexKey a0) -> ParticleIndex
16618 return _IMP_core.Provenanced_get_value(self, *args)
16620 def set_value(self, *args):
16622 set_value(Provenanced self, FloatKey a0, IMP::Float a1)
16623 set_value(Provenanced self, IntKey a0, IMP::Int a1)
16624 set_value(Provenanced self, FloatsKey a0, IMP::Floats a1)
16625 set_value(Provenanced self, IntsKey a0, IMP::Ints a1)
16626 set_value(Provenanced self, StringKey a0, IMP::String a1)
16627 set_value(Provenanced self, ParticleIndexKey a0, Particle a1)
16628 set_value(Provenanced self, ObjectKey a0, Object a1)
16629 set_value(Provenanced self, SparseFloatKey a0, IMP::Float a1)
16630 set_value(Provenanced self, SparseIntKey a0, IMP::Int a1)
16631 set_value(Provenanced self, SparseStringKey a0, IMP::String a1)
16632 set_value(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
16634 return _IMP_core.Provenanced_set_value(self, *args)
16636 def remove_attribute(self, *args):
16638 remove_attribute(Provenanced self, FloatKey a0)
16639 remove_attribute(Provenanced self, IntKey a0)
16640 remove_attribute(Provenanced self, FloatsKey a0)
16641 remove_attribute(Provenanced self, IntsKey a0)
16642 remove_attribute(Provenanced self, StringKey a0)
16643 remove_attribute(Provenanced self, ParticleIndexKey a0)
16644 remove_attribute(Provenanced self, ObjectKey a0)
16645 remove_attribute(Provenanced self, SparseFloatKey a0)
16646 remove_attribute(Provenanced self, SparseIntKey a0)
16647 remove_attribute(Provenanced self, SparseStringKey a0)
16648 remove_attribute(Provenanced self, SparseParticleIndexKey a0)
16650 return _IMP_core.Provenanced_remove_attribute(self, *args)
16652 def has_attribute(self, *args):
16654 has_attribute(Provenanced self, FloatKey a0) -> bool
16655 has_attribute(Provenanced self, IntKey a0) -> bool
16656 has_attribute(Provenanced self, FloatsKey a0) -> bool
16657 has_attribute(Provenanced self, IntsKey a0) -> bool
16658 has_attribute(Provenanced self, StringKey a0) -> bool
16659 has_attribute(Provenanced self, ParticleIndexKey a0) -> bool
16660 has_attribute(Provenanced self, ObjectKey a0) -> bool
16661 has_attribute(Provenanced self, SparseFloatKey a0) -> bool
16662 has_attribute(Provenanced self, SparseIntKey a0) -> bool
16663 has_attribute(Provenanced self, SparseStringKey a0) -> bool
16664 has_attribute(Provenanced self, SparseParticleIndexKey a0) -> bool
16666 return _IMP_core.Provenanced_has_attribute(self, *args)
16668 def get_derivative(self, a0):
16669 r"""get_derivative(Provenanced self, FloatKey a0) -> double"""
16670 return _IMP_core.Provenanced_get_derivative(self, a0)
16672 def get_name(self):
16673 r"""get_name(Provenanced self) -> std::string"""
16674 return _IMP_core.Provenanced_get_name(self)
16676 def clear_caches(self):
16677 r"""clear_caches(Provenanced self)"""
16678 return _IMP_core.Provenanced_clear_caches(self)
16680 def set_name(self, a0):
16681 r"""set_name(Provenanced self, std::string a0)"""
16682 return _IMP_core.Provenanced_set_name(self, a0)
16685 r"""set_check_level(Provenanced self, IMP::CheckLevel a0)"""
16686 return _IMP_core.Provenanced_set_check_level(self, a0)
16688 def add_to_derivative(self, a0, a1, a2):
16689 r"""add_to_derivative(Provenanced self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16690 return _IMP_core.Provenanced_add_to_derivative(self, a0, a1, a2)
16692 def set_is_optimized(self, a0, a1):
16693 r"""set_is_optimized(Provenanced self, FloatKey a0, bool a1)"""
16694 return _IMP_core.Provenanced_set_is_optimized(self, a0, a1)
16696 def get_is_optimized(self, a0):
16697 r"""get_is_optimized(Provenanced self, FloatKey a0) -> bool"""
16698 return _IMP_core.Provenanced_get_is_optimized(self, a0)
16701 r"""get_check_level(Provenanced self) -> IMP::CheckLevel"""
16702 return _IMP_core.Provenanced_get_check_level(self)
16704 def __eq__(self, *args):
16706 __eq__(Provenanced self, Provenanced o) -> bool
16707 __eq__(Provenanced self, Particle d) -> bool
16709 return _IMP_core.Provenanced___eq__(self, *args)
16711 def __ne__(self, *args):
16713 __ne__(Provenanced self, Provenanced o) -> bool
16714 __ne__(Provenanced self, Particle d) -> bool
16716 return _IMP_core.Provenanced___ne__(self, *args)
16718 def __le__(self, *args):
16720 __le__(Provenanced self, Provenanced o) -> bool
16721 __le__(Provenanced self, Particle d) -> bool
16723 return _IMP_core.Provenanced___le__(self, *args)
16725 def __lt__(self, *args):
16727 __lt__(Provenanced self, Provenanced o) -> bool
16728 __lt__(Provenanced self, Particle d) -> bool
16730 return _IMP_core.Provenanced___lt__(self, *args)
16732 def __ge__(self, *args):
16734 __ge__(Provenanced self, Provenanced o) -> bool
16735 __ge__(Provenanced self, Particle d) -> bool
16737 return _IMP_core.Provenanced___ge__(self, *args)
16739 def __gt__(self, *args):
16741 __gt__(Provenanced self, Provenanced o) -> bool
16742 __gt__(Provenanced self, Particle d) -> bool
16744 return _IMP_core.Provenanced___gt__(self, *args)
16746 def __hash__(self):
16747 r"""__hash__(Provenanced self) -> std::size_t"""
16748 return _IMP_core.Provenanced___hash__(self)
16751 r"""__str__(Provenanced self) -> std::string"""
16752 return _IMP_core.Provenanced___str__(self)
16754 def __repr__(self):
16755 r"""__repr__(Provenanced self) -> std::string"""
16756 return _IMP_core.Provenanced___repr__(self)
16758 def _get_as_binary(self):
16759 r"""_get_as_binary(Provenanced self) -> PyObject *"""
16760 return _IMP_core.Provenanced__get_as_binary(self)
16762 def _set_from_binary(self, p):
16763 r"""_set_from_binary(Provenanced self, PyObject * p)"""
16764 return _IMP_core.Provenanced__set_from_binary(self, p)
16766 def __getstate__(self):
16767 p = self._get_as_binary()
16768 if len(self.__dict__) > 1:
16769 d = self.__dict__.copy()
16774 def __setstate__(self, p):
16775 if not hasattr(self,
'this'):
16777 if isinstance(p, tuple):
16779 self.__dict__.update(d)
16780 return self._set_from_binary(p)
16782 __swig_destroy__ = _IMP_core.delete_Provenanced
16785 _IMP_core.Provenanced_swigregister(Provenanced)
16788 r"""add_provenance(Model m, ParticleIndex pi, Provenance p)"""
16789 return _IMP_core.add_provenance(m, pi, p)
16792 r"""create_clone(Provenance p, Model m=None) -> Provenance"""
16793 return _IMP_core.create_clone(p, m)
16797 get_transformation_aligning_first_to_second(IMP::ParticlesTemp const & a, IMP::ParticlesTemp const & b) -> Transformation3D
16798 get_transformation_aligning_first_to_second(IMP::ParticlesTemp const & a, IMP::Vector< IMP::VectorD< 3 >,std::allocator< IMP::VectorD< 3 > > > const & b) -> Transformation3D
16799 get_transformation_aligning_first_to_second(IMP::Vector< IMP::VectorD< 3 >,std::allocator< IMP::VectorD< 3 > > > const & a, IMP::ParticlesTemp const & b) -> Transformation3D
16801 return _IMP_core.get_transformation_aligning_first_to_second(*args)
16804 r"""create_restraint(PairScore ps, IMP::ParticlePair pp) -> Restraint"""
16805 return _IMP_core.create_restraint(ps, pp)
16807 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::LOWER > class."""
16809 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16811 def __init__(self, *args):
16813 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicLowerBound
16814 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicLowerBound
16816 _IMP_core.TruncatedHarmonicLowerBound_swiginit(self, _IMP_core.new_TruncatedHarmonicLowerBound(*args))
16818 def get_version_info(self):
16819 r"""get_version_info(TruncatedHarmonicLowerBound self) -> VersionInfo"""
16820 return _IMP_core.TruncatedHarmonicLowerBound_get_version_info(self)
16821 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicLowerBound
16824 r"""__str__(TruncatedHarmonicLowerBound self) -> std::string"""
16825 return _IMP_core.TruncatedHarmonicLowerBound___str__(self)
16827 def __repr__(self):
16828 r"""__repr__(TruncatedHarmonicLowerBound self) -> std::string"""
16829 return _IMP_core.TruncatedHarmonicLowerBound___repr__(self)
16833 return _object_cast_to_TruncatedHarmonic(o)
16837 _IMP_core.TruncatedHarmonicLowerBound_swigregister(TruncatedHarmonicLowerBound)
16839 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::UPPER > class."""
16841 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16843 def __init__(self, *args):
16845 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicUpperBound
16846 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicUpperBound
16848 _IMP_core.TruncatedHarmonicUpperBound_swiginit(self, _IMP_core.new_TruncatedHarmonicUpperBound(*args))
16850 def get_version_info(self):
16851 r"""get_version_info(TruncatedHarmonicUpperBound self) -> VersionInfo"""
16852 return _IMP_core.TruncatedHarmonicUpperBound_get_version_info(self)
16853 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicUpperBound
16856 r"""__str__(TruncatedHarmonicUpperBound self) -> std::string"""
16857 return _IMP_core.TruncatedHarmonicUpperBound___str__(self)
16859 def __repr__(self):
16860 r"""__repr__(TruncatedHarmonicUpperBound self) -> std::string"""
16861 return _IMP_core.TruncatedHarmonicUpperBound___repr__(self)
16865 return _object_cast_to_TruncatedHarmonic(o)
16869 _IMP_core.TruncatedHarmonicUpperBound_swigregister(TruncatedHarmonicUpperBound)
16871 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::BOTH > class."""
16873 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16875 def __init__(self, *args):
16877 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicBound
16878 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicBound
16880 _IMP_core.TruncatedHarmonicBound_swiginit(self, _IMP_core.new_TruncatedHarmonicBound(*args))
16882 def get_version_info(self):
16883 r"""get_version_info(TruncatedHarmonicBound self) -> VersionInfo"""
16884 return _IMP_core.TruncatedHarmonicBound_get_version_info(self)
16885 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicBound
16888 r"""__str__(TruncatedHarmonicBound self) -> std::string"""
16889 return _IMP_core.TruncatedHarmonicBound___str__(self)
16891 def __repr__(self):
16892 r"""__repr__(TruncatedHarmonicBound self) -> std::string"""
16893 return _IMP_core.TruncatedHarmonicBound___repr__(self)
16897 return _object_cast_to_TruncatedHarmonic(o)
16901 _IMP_core.TruncatedHarmonicBound_swigregister(TruncatedHarmonicBound)
16903 r"""Proxy of C++ IMP::Key< 34897493 > class."""
16905 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16907 def __init__(self, *args):
16909 __init__(ParticleType self) -> ParticleType
16910 __init__(ParticleType self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleType
16911 __init__(ParticleType self, unsigned int i) -> ParticleType
16913 _IMP_core.ParticleType_swiginit(self, _IMP_core.new_ParticleType(*args))
16917 r"""add_key(std::string sc) -> unsigned int"""
16918 return _IMP_core.ParticleType_add_key(sc)
16921 def get_key_exists(sc):
16922 r"""get_key_exists(std::string sc) -> bool"""
16923 return _IMP_core.ParticleType_get_key_exists(sc)
16925 def get_string(self):
16926 r"""get_string(ParticleType self) -> std::string const"""
16927 return _IMP_core.ParticleType_get_string(self)
16929 def __cmp__(self, o):
16930 r"""__cmp__(ParticleType self, ParticleType o) -> int"""
16931 return _IMP_core.ParticleType___cmp__(self, o)
16933 def __eq__(self, o):
16934 r"""__eq__(ParticleType self, ParticleType o) -> bool"""
16935 return _IMP_core.ParticleType___eq__(self, o)
16937 def __ne__(self, o):
16938 r"""__ne__(ParticleType self, ParticleType o) -> bool"""
16939 return _IMP_core.ParticleType___ne__(self, o)
16941 def __lt__(self, o):
16942 r"""__lt__(ParticleType self, ParticleType o) -> bool"""
16943 return _IMP_core.ParticleType___lt__(self, o)
16945 def __gt__(self, o):
16946 r"""__gt__(ParticleType self, ParticleType o) -> bool"""
16947 return _IMP_core.ParticleType___gt__(self, o)
16949 def __ge__(self, o):
16950 r"""__ge__(ParticleType self, ParticleType o) -> bool"""
16951 return _IMP_core.ParticleType___ge__(self, o)
16953 def __le__(self, o):
16954 r"""__le__(ParticleType self, ParticleType o) -> bool"""
16955 return _IMP_core.ParticleType___le__(self, o)
16957 def __hash__(self):
16958 r"""__hash__(ParticleType self) -> std::size_t"""
16959 return _IMP_core.ParticleType___hash__(self)
16961 def show(self, *args):
16962 r"""show(ParticleType self, _ostream out=std::cout)"""
16963 return _IMP_core.ParticleType_show(self, *args)
16966 def add_alias(old_key, new_name):
16967 r"""add_alias(ParticleType old_key, std::string new_name) -> ParticleType"""
16968 return _IMP_core.ParticleType_add_alias(old_key, new_name)
16971 def get_number_of_keys():
16972 r"""get_number_of_keys() -> unsigned int"""
16973 return _IMP_core.ParticleType_get_number_of_keys()
16976 r"""get_index(ParticleType self) -> unsigned int"""
16977 return _IMP_core.ParticleType_get_index(self)
16981 r"""show_all(_ostream out)"""
16982 return _IMP_core.ParticleType_show_all(out)
16985 def get_all_strings():
16986 r"""get_all_strings() -> IMP::Vector< std::string >"""
16987 return _IMP_core.ParticleType_get_all_strings()
16990 def get_number_unique():
16991 r"""get_number_unique() -> unsigned int"""
16992 return _IMP_core.ParticleType_get_number_unique()
16995 r"""__str__(ParticleType self) -> std::string"""
16996 return _IMP_core.ParticleType___str__(self)
16998 def __repr__(self):
16999 r"""__repr__(ParticleType self) -> std::string"""
17000 return _IMP_core.ParticleType___repr__(self)
17001 __swig_destroy__ = _IMP_core.delete_ParticleType
17004 _IMP_core.ParticleType_swigregister(ParticleType)
17006 r"""Proxy of C++ IMP::core::GenericAttributeSingletonScore< UnaryFunction > class."""
17008 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
17009 __repr__ = _swig_repr
17011 def __init__(self, f, k):
17012 r"""__init__(AttributeSingletonScore self, UnaryFunction f, FloatKey k) -> AttributeSingletonScore"""
17013 _IMP_core.AttributeSingletonScore_swiginit(self, _IMP_core.new_AttributeSingletonScore(f, k))
17015 def do_get_inputs(self, m, pis):
17016 r"""do_get_inputs(AttributeSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
17017 return _IMP_core.AttributeSingletonScore_do_get_inputs(self, m, pis)
17019 def get_unary_function(self):
17020 r"""get_unary_function(AttributeSingletonScore self) -> UnaryFunction"""
17021 return _IMP_core.AttributeSingletonScore_get_unary_function(self)
17024 r"""get_key(AttributeSingletonScore self) -> FloatKey"""
17025 return _IMP_core.AttributeSingletonScore_get_key(self)
17027 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
17028 r"""evaluate_indexes(AttributeSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
17029 return _IMP_core.AttributeSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
17031 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
17032 r"""evaluate_indexes_scores(AttributeSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
17033 return _IMP_core.AttributeSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
17035 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
17036 r"""evaluate_indexes_delta(AttributeSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
17037 return _IMP_core.AttributeSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
17039 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
17040 r"""evaluate_if_good_indexes(AttributeSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
17041 return _IMP_core.AttributeSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
17043 def get_version_info(self):
17044 r"""get_version_info(AttributeSingletonScore self) -> VersionInfo"""
17045 return _IMP_core.AttributeSingletonScore_get_version_info(self)
17046 __swig_destroy__ = _IMP_core.delete_AttributeSingletonScore
17050 return _object_cast_to_AttributeSingletonScore(o)
17053 def _get_jax(self, m, indexes, space):
17054 def score_float_key(jm, key, uf):
17055 return uf(jm[key][indexes])
17057 def score_xyz_key(jm, xyz_index, uf):
17058 return uf(jm[
'xyz'][indexes, xyz_index])
17060 uf = self.get_unary_function().get_derived_object()._get_jax()
17061 key = self.get_key()
17064 if key.get_index() >= 7:
17066 f = functools.partial(score_float_key, key=key.get_string(), uf=uf)
17067 elif key == XYZR.get_radius_key():
17069 f = functools.partial(score_float_key, key=
'r', uf=uf)
17070 elif key
in XYZ.get_xyz_keys():
17072 xyz_index = XYZ.get_xyz_keys().index(key)
17073 f = functools.partial(score_xyz_key, xyz_index=xyz_index, uf=uf)
17075 raise NotImplementedError(
"No support for key %s" % key)
17076 return self._wrap_jax(m, f, keys=need_keys)
17080 _IMP_core.AttributeSingletonScore_swigregister(AttributeSingletonScore)
17083 r"""create_generic_attribute_singleton_score(UnaryFunction uf, FloatKey k) -> AttributeSingletonScore"""
17084 return _IMP_core.create_generic_attribute_singleton_score(uf, k)
17086 r"""Proxy of C++ IMP::core::GenericBoundingBox3DSingletonScore< UnaryFunction > class."""
17088 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
17089 __repr__ = _swig_repr
17091 def __init__(self, f, bb):
17092 r"""__init__(BoundingBox3DSingletonScore self, UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
17093 _IMP_core.BoundingBox3DSingletonScore_swiginit(self, _IMP_core.new_BoundingBox3DSingletonScore(f, bb))
17095 def get_unary_function(self):
17096 r"""get_unary_function(BoundingBox3DSingletonScore self) -> UnaryFunction"""
17097 return _IMP_core.BoundingBox3DSingletonScore_get_unary_function(self)
17100 r"""get_bounding_box(BoundingBox3DSingletonScore self) -> BoundingBox3D"""
17101 return _IMP_core.BoundingBox3DSingletonScore_get_bounding_box(self)
17103 def do_get_inputs(self, m, pis):
17104 r"""do_get_inputs(BoundingBox3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
17105 return _IMP_core.BoundingBox3DSingletonScore_do_get_inputs(self, m, pis)
17107 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
17108 r"""evaluate_indexes(BoundingBox3DSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
17109 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
17111 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
17112 r"""evaluate_indexes_scores(BoundingBox3DSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
17113 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
17115 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
17116 r"""evaluate_indexes_delta(BoundingBox3DSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
17117 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
17119 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
17120 r"""evaluate_if_good_indexes(BoundingBox3DSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
17121 return _IMP_core.BoundingBox3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
17123 def get_version_info(self):
17124 r"""get_version_info(BoundingBox3DSingletonScore self) -> VersionInfo"""
17125 return _IMP_core.BoundingBox3DSingletonScore_get_version_info(self)
17126 __swig_destroy__ = _IMP_core.delete_BoundingBox3DSingletonScore
17130 return _object_cast_to_BoundingBox3DSingletonScore(o)
17133 def _get_jax(self, m, indexes, space):
17134 import jax.numpy
as jnp
17135 def score(jm, box_min, box_max, uf):
17136 xyzs = jm[
'xyz'][indexes]
17143 drs = space.distance(xyzs - jnp.clip(xyzs, box_min, box_max))
17145 uf = self.get_unary_function().get_derived_object()
17146 bb = self.get_bounding_box()
17147 f = functools.partial(score, box_min=jnp.asarray(bb.get_corner(0)),
17148 box_max=jnp.asarray(bb.get_corner(1)),
17150 return self._wrap_jax(m, f)
17154 _IMP_core.BoundingBox3DSingletonScore_swigregister(BoundingBox3DSingletonScore)
17156 def create_bounding_box_3d_singleton_score(f, bb):
17157 r"""create_bounding_box_3d_singleton_score(UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
17158 return _IMP_core.create_bounding_box_3d_singleton_score(f, bb)
17160 r"""Proxy of C++ IMP::core::GenericBoundingSphere3DSingletonScore< UnaryFunction > class."""
17162 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
17163 __repr__ = _swig_repr
17165 def __init__(self, f, sphere):
17166 r"""__init__(BoundingSphere3DSingletonScore self, UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
17167 _IMP_core.BoundingSphere3DSingletonScore_swiginit(self, _IMP_core.new_BoundingSphere3DSingletonScore(f, sphere))
17169 def do_get_inputs(self, m, pis):
17170 r"""do_get_inputs(BoundingSphere3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
17171 return _IMP_core.BoundingSphere3DSingletonScore_do_get_inputs(self, m, pis)
17173 def get_unary_function(self):
17174 r"""get_unary_function(BoundingSphere3DSingletonScore self) -> UnaryFunction"""
17175 return _IMP_core.BoundingSphere3DSingletonScore_get_unary_function(self)
17177 def get_sphere(self):
17178 r"""get_sphere(BoundingSphere3DSingletonScore self) -> Sphere3D"""
17179 return _IMP_core.BoundingSphere3DSingletonScore_get_sphere(self)
17181 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
17182 r"""evaluate_indexes(BoundingSphere3DSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
17183 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
17185 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
17186 r"""evaluate_indexes_scores(BoundingSphere3DSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
17187 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
17189 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
17190 r"""evaluate_indexes_delta(BoundingSphere3DSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
17191 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
17193 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
17194 r"""evaluate_if_good_indexes(BoundingSphere3DSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
17195 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
17197 def get_version_info(self):
17198 r"""get_version_info(BoundingSphere3DSingletonScore self) -> VersionInfo"""
17199 return _IMP_core.BoundingSphere3DSingletonScore_get_version_info(self)
17200 __swig_destroy__ = _IMP_core.delete_BoundingSphere3DSingletonScore
17204 return _object_cast_to_BoundingSphere3DSingletonScore(o)
17207 def _get_jax(self, m, indexes, space):
17208 import jax.numpy
as jnp
17210 def score_with_radius(jm, inds, center, radius):
17211 xyzs = jm[
'xyz'][inds]
17212 radii = jm[
'r'][inds]
17213 drs = space.distance(xyzs - center) + radii - radius
17214 return jax.lax.select(drs < 0.000001, jnp.zeros_like(drs), uf(drs))
17215 def score_without_radius(jm, inds, center, radius):
17216 xyzs = jm[
'xyz'][inds]
17217 drs = space.distance(xyzs - center) - radius
17218 return jax.lax.select(drs < 0.000001, jnp.zeros_like(drs), uf(drs))
17219 without_radii_inds = []
17220 with_radii_inds = []
17221 for ind
in indexes:
17222 if XYZR.get_is_setup(m, ind):
17223 with_radii_inds.append(ind)
17225 without_radii_inds.append(ind)
17226 without_radii_inds = jnp.asarray(without_radii_inds)
17227 with_radii_inds = jnp.asarray(with_radii_inds)
17228 uf = self.get_unary_function().get_derived_object()._get_jax()
17229 sphere = self.get_sphere()
17230 radius = sphere.get_radius()
17231 center = jnp.asarray(sphere.get_center())
17234 if without_radii_inds.size > 0:
17235 s += score_without_radius(jm, without_radii_inds,
17237 if with_radii_inds.size > 0:
17238 s += score_with_radius(jm, with_radii_inds, center, radius)
17240 return self._wrap_jax(m, score)
17244 _IMP_core.BoundingSphere3DSingletonScore_swigregister(BoundingSphere3DSingletonScore)
17246 def create_bounding_sphere_3d_singleton_score(f, sphere):
17247 r"""create_bounding_sphere_3d_singleton_score(UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
17248 return _IMP_core.create_bounding_sphere_3d_singleton_score(f, sphere)
17250 r"""Proxy of C++ IMP::core::GenericDistanceToSingletonScore< UnaryFunction > class."""
17252 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
17253 __repr__ = _swig_repr
17255 def __init__(self, *args):
17257 __init__(DistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore
17258 __init__(DistanceToSingletonScore self) -> DistanceToSingletonScore
17260 _IMP_core.DistanceToSingletonScore_swiginit(self, _IMP_core.new_DistanceToSingletonScore(*args))
17262 def do_get_inputs(self, m, pis):
17263 r"""do_get_inputs(DistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
17264 return _IMP_core.DistanceToSingletonScore_do_get_inputs(self, m, pis)
17266 def get_unary_function(self):
17267 r"""get_unary_function(DistanceToSingletonScore self) -> UnaryFunction"""
17268 return _IMP_core.DistanceToSingletonScore_get_unary_function(self)
17270 def get_point(self):
17271 r"""get_point(DistanceToSingletonScore self) -> Vector3D"""
17272 return _IMP_core.DistanceToSingletonScore_get_point(self)
17274 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
17275 r"""evaluate_indexes(DistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
17276 return _IMP_core.DistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
17278 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
17279 r"""evaluate_indexes_scores(DistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
17280 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
17282 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
17283 r"""evaluate_indexes_delta(DistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
17284 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
17286 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
17287 r"""evaluate_if_good_indexes(DistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
17288 return _IMP_core.DistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
17290 def get_version_info(self):
17291 r"""get_version_info(DistanceToSingletonScore self) -> VersionInfo"""
17292 return _IMP_core.DistanceToSingletonScore_get_version_info(self)
17293 __swig_destroy__ = _IMP_core.delete_DistanceToSingletonScore
17297 return _object_cast_to_DistanceToSingletonScore(o)
17300 def _get_as_binary(self):
17301 r"""_get_as_binary(DistanceToSingletonScore self) -> PyObject *"""
17302 return _IMP_core.DistanceToSingletonScore__get_as_binary(self)
17304 def _set_from_binary(self, p):
17305 r"""_set_from_binary(DistanceToSingletonScore self, PyObject * p)"""
17306 return _IMP_core.DistanceToSingletonScore__set_from_binary(self, p)
17308 def __getstate__(self):
17309 p = self._get_as_binary()
17310 if len(self.__dict__) > 1:
17311 d = self.__dict__.copy()
17316 def __setstate__(self, p):
17317 if not hasattr(self,
'this'):
17319 if isinstance(p, tuple):
17321 self.__dict__.update(d)
17322 return self._set_from_binary(p)
17325 def _get_jax(self, m, indexes, space):
17326 import jax.numpy
as jnp
17327 def score(jm, point, uf):
17328 xyzs = jm[
'xyz'][indexes]
17329 drs = space.distance(xyzs - point)
17331 uf = self.get_unary_function().get_derived_object()
17332 f = functools.partial(score, point=jnp.array(self.get_point()),
17334 return self._wrap_jax(m, f)
17338 _IMP_core.DistanceToSingletonScore_swigregister(DistanceToSingletonScore)
17340 def create_distance_to_singleton_score(f, pt):
17341 r"""create_distance_to_singleton_score(UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore"""
17342 return _IMP_core.create_distance_to_singleton_score(f, pt)
17344 class SphereDistancePairScore(_SphereDistancePairScore.__bases__[0]):
17345 def __init__(self, uf):
17346 if isinstance(uf, HarmonicUpperBound):
17347 p = HarmonicUpperBoundSphereDistancePairScore(
17348 uf.get_mean(), uf.get_k())
17349 elif isinstance(uf, HarmonicLowerBound):
17350 if uf.get_mean() == 0.0:
17351 p = SoftSpherePairScore(uf.get_k())
17353 p = _SphereDistancePairScore(uf)
17354 elif isinstance(uf, Harmonic):
17355 p = HarmonicSphereDistancePairScore(
17356 uf.get_mean(), uf.get_k())
17358 p = _SphereDistancePairScore(uf)
17359 self.__dict__[
'_proxied'] = p
17360 def __getattr__(self, key):
17361 return getattr(self._proxied, key)
17362 def __setattr__(self, key, val):
17363 return setattr(self._proxied, key, val)
17365 def __getstate__(self):
17366 return self.__dict__[
'_proxied']
17368 def __setstate__(self, p):
17369 self.__dict__[
'_proxied'] = p
17371 def _get_jax(self, *args, **kwargs):
17372 return self._proxied._get_jax(*args, **kwargs)
17377 p = HarmonicUpperBoundSphereDistancePairScore.get_from(o)
17380 p = HarmonicSphereDistancePairScore.get_from(o)
17383 p = SoftSpherePairScore.get_from(o)
17385 p = _SphereDistancePairScore.get_from(o)
17386 obj = object.__new__(SphereDistancePairScore)
17387 obj.__dict__[
'_proxied'] = p
17393 CombineProvenance, FilterProvenance,
17394 ClusterProvenance, ScriptProvenance,
17395 SoftwareProvenance]):
17396 """Yield all provenance decorators of the given types for the particle.
17397 By default, all provenance types are returned. Provenance is returned
17398 in order, most recent first. If the particle has no provenance
17399 information, an empty generator is returned."""
17400 if Provenanced.get_is_setup(p):
17404 if c.get_is_setup(prov):
17406 prov = prov.get_previous()
17409 """Tag the given particle with the current Python script.
17410 This is a noop if the particle is already so tagged."""
17411 main = sys.modules[
'__main__']
17413 if not hasattr(main,
'__file__'):
17417 if prov.get_filename() == f:
17421 provp.set_name(
'script')
17422 prov = ScriptProvenance.setup_particle(provp, f)
17426 """Tag the given particle with the software used to create it.
17427 This is a noop if the particle is already so tagged."""
17429 if prov.get_software_name() == name
and prov.get_version() == version \
17430 and prov.get_location() == location:
17434 provp.set_name(
'software')
17435 prov = SoftwareProvenance.setup_particle(provp, name, version, location)
17439 """Tag the given particle as being created by the current version of IMP."""
17442 location=
"https://integrativemodeling.org")
17445 def get_module_name():
17446 r"""get_module_name() -> std::string const"""
17447 return _IMP_core.get_module_name()
17450 r"""get_module_version() -> std::string const"""
17451 return _IMP_core.get_module_version()
17454 r"""get_example_path(std::string fname) -> std::string"""
17455 return _IMP_core.get_example_path(fname)
17458 r"""get_data_path(std::string fname) -> std::string"""
17459 return _IMP_core.get_data_path(fname)
17461 from .
import _version_check
F visit_breadth_first(HD d, F f)
Apply the visitor to each particle, breadth first.
A base class for geometry contained in particles.
A base class for modifiers of ParticlesTemp.
GenericDistanceToSingletonScore< UnaryFunction > DistanceToSingletonScore
Rotation3D get_rotation_about_normalized_axis(const Vector3D &axis_norm, double angle)
double get_kt(double T)
Return kT for a given temperature in units of [kcal/mol].
Abstract class for scoring object(s) of type ParticleIndexPair.
double get_height(const Surface &s, const XYZR &d)
Get height of sphere above surface.
algebra::Transformation3D get_transformation_aligning_first_to_second(XYZsOrVector3ds a, XYZsOrVector3ds b)
double get_mean(const cv::Mat &mat, const cvIntMat &mask)
CheckLevel get_check_level()
Get the current audit mode.
def add_script_provenance
Tag the given particle with the current Python script.
GenericBoundingSphere3DSingletonScore< UnaryFunction > BoundingSphere3DSingletonScore
Abstract predicate function.
Restraint * create_restraint(Score *s, const typename Score::Argument &t, std::string name=std::string())
ParticleIndex get_root_rigid_body(RigidMember m)
Return the index of the outer-most rigid body containing the member.
algebra::ReferenceFrame3D get_initial_reference_frame(Model *m, const ParticleIndexes &pis)
The base class for geometry.
F visit_depth_first(HD d, F &f)
Apply functor F to each particle, traversing the hierarchy depth first.
XYZRs create_xyzr_particles(Model *m, unsigned int num, Float radius, Float box_side=10)
Create a set of particles with random coordinates.
A base class for geometry contained in particles.
double get_angle(Direction a, Direction b)
Get angle between directions.
A base class for geometry from a set of particles.
double get_dihedral(XYZ a, XYZ b, XYZ c, XYZ d)
Compute the dihedral angle (in radians) between the four particles.
Make CGAL functionality available to IMP.
ParticlesTemp create_rigid_bodies(Model *m, unsigned int n, bool no_members=false)
An unbounded space with no periodic boundary conditions.
std::string get_data_path(std::string file_name)
Return the full path to one of this module's data files.
void add_rigid_body_cache_key(ObjectKey k)
Base class for all samplers.
Key< 34897493 > ParticleType
An IMP::Key object for identifying types of particles by strings.
algebra::Vector3D get_centroid(const XYZs &ps)
Get the centroid.
void add_particle(RMF::FileHandle fh, Particle *hs)
GenericHierarchies get_leaves(Hierarchy mhd)
Get all the leaves of the bit of hierarchy.
static FloatKeys get_internal_coordinate_keys()
Composable functors to implement scores via compile-time composition.
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
GenericHierarchies get_all_descendants(Hierarchy mhd)
Get all the particles in the subtree.
A base class for geometry from a set of particles.
def add_imp_provenance
Tag the given particle as being created by the current version of IMP.
display::Geometries create_blame_geometries(const RestraintsTemp &rs, const ParticlesTemp &ps, double max=NO_MAX, std::string name=std::string())
void show_rigid_body_hierarchy(RigidBody rb, TextOutput out=TextOutput(std::cout))
Implement a constraint on the Model.
void add_restraint(RMF::FileHandle fh, Restraint *hs)
def add_software_provenance
Tag the given particle with the software used to create it.
Abstract class for scoring object(s) of type ParticleIndexQuad.
Base class for objects in a Model that depend on other objects.
Abstract predicate function.
Ints get_index(const ParticlesTemp &particles, const Subset &subset, const Subsets &excluded)
Common base class for heavy weight IMP objects.
int get_number_of_frames(const ::npctransport_proto::Assignment &config, double time_step)
Abstract class for scoring object(s) of type ParticleIndex.
ScoreStates maintain invariants in the Model.
Base class for all optimizers.
GenericAttributeSingletonScore< UnaryFunction > AttributeSingletonScore
SurfaceGeometry * create_geometry(const Surface s, std::string name=std::string("SurfaceGeometry%1%"))
Create a geometry from a Surface.
void add_restraints(RMF::FileHandle fh, const Restraints &hs)
algebra::BoundingBoxD< 3 > get_bounding_box(const XYZRs &ps)
Get the bounding box.
const algebra::Vector3D & get_vector_geometry(XYZ d)
Support for the JAX Python library.
GenericHierarchies get_internal(Hierarchy mhd)
Get all the non-leaves of the bit of hierarchy.
Interface to specialized Particle types (e.g. atoms)
std::ostream & show(Hierarchy h, std::ostream &out=std::cout)
Print the hierarchy using a given decorator to display each node.
std::string get_absolute_path(std::string file)
Convert a possibly relative path to an absolute path.
algebra::Sphere3D get_enclosing_sphere(const XYZs &v)
Get a sphere enclosing the set of XYZRs.
Base class for optimizers that act on individual attributes.
Basic functionality that is expected to be used by a wide variety of IMP users.
SurfaceGeometry * get_constrained_surface_geometry(const Surface s, std::string name="SurfaceGeometry%1%")
Get surface geometry constrained to the surface.
Abstract predicate function.
General purpose algebraic and geometric methods that are expected to be used by a wide variety of IMP...
Represents a scoring function on the model.
void set_vector_geometry(XYZ d, const algebra::Vector3D &v)
Provenance create_clone(Provenance p, Model *m=nullptr)
Clone provenance (including previous provenance)
Shared optimizer state that is invoked upon commitment of new coordinates.
Hierarchy get_root(Hierarchy h)
Return the root of the hierarchy.
Abstract predicate function.
GenericBoundingBox3DSingletonScore< UnaryFunction > BoundingBox3DSingletonScore
Abstract class to implement hierarchical methods.
double get_depth(const Surface &s, const XYZR &d)
Get depth of sphere below surface.
void set_enclosing_radius(XYZR b, const XYZs &v)
Set the radius of the first to enclose the list.
Class to handle individual particles of a Model object.
GenericAttributeSingletonScore< UF > * create_generic_attribute_singleton_score(UF *uf, FloatKey k)
void transform(RigidBody a, const algebra::Transformation3D &tr)
Transform a rigid body.
void assign_blame(const RestraintsTemp &rs, const ParticlesTemp &ps, FloatKey attribute)
std::string get_module_version()
Return the version of this module, as a string.
TruncatedHarmonic< BOTH > TruncatedHarmonicBound
TruncatedHarmonic< UPPER > TruncatedHarmonicUpperBound
static const FloatKeys & get_xyz_keys()
Get a vector containing the keys for x,y,z.
Output IMP model data in various file formats.
std::string get_chain_id(Hierarchy h)
Walk up the hierarchy to determine the chain id.
def get_all_provenance
Yield all provenance decorators of the given types for the particle.
Abstract class for scoring object(s) of type ParticleIndexTriplet.
void add_provenance(Model *m, ParticleIndex pi, Provenance p)
Add provenance to part of the model.
Tag part of the system to track how it was created.
double get_distance(const Surface &s, const XYZR &d)
Get distance from sphere to surface.
ParticleIndexes get_indexes(const ParticlesTemp &ps)
Get the indexes from a list of particles.
Abstract single variable functor class for score functions.
void set_enclosing_sphere(XYZR b, const XYZs &v, double slack=0)
Set the coordinates and radius of the first to enclose the list.
TruncatedHarmonic< LOWER > TruncatedHarmonicLowerBound
void set_check_level(CheckLevel tf)
Control runtime checks in the code.
std::string get_module_version()
Return the version of this module, as a string.
A restraint is a term in an IMP ScoringFunction.