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):
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)
3998 rbs = jm[
'rigid_bodies']
4002 v = get_random_vector_in_3d_sphere(
4003 subkey, radius, shape=val.shape[:-2] + (1,))
4005 rbs.intcoord = space.shift_indexes(val, indexes, v)
4007 jm[
'xyz'] = space.shift_indexes(val, indexes, v)
4009 return self._wrap_jax(init_func, propose_func,
4010 keys=[
'rigid_bodies']
if intcoord
else None)
4014 _IMP_core.BallMover_swigregister(BallMover)
4015 class SerialMover(MonteCarloMover):
4016 r"""Proxy of C++ IMP::core::SerialMover class."""
4018 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4020 def __init__(self, *args):
4022 __init__(SerialMover self, IMP::core::MonteCarloMoversTemp const & mvs) -> SerialMover
4023 __init__(SerialMover self) -> SerialMover
4025 _IMP_core.SerialMover_swiginit(self, _IMP_core.new_SerialMover(*args))
4027 def get_movers(self):
4028 r"""get_movers(SerialMover self) -> IMP::core::MonteCarloMovers const &"""
4029 return _IMP_core.SerialMover_get_movers(self)
4031 def get_version_info(self):
4032 r"""get_version_info(SerialMover self) -> VersionInfo"""
4033 return _IMP_core.SerialMover_get_version_info(self)
4034 __swig_destroy__ = _IMP_core.delete_SerialMover
4037 r"""__str__(SerialMover self) -> std::string"""
4038 return _IMP_core.SerialMover___str__(self)
4041 r"""__repr__(SerialMover self) -> std::string"""
4042 return _IMP_core.SerialMover___repr__(self)
4046 return _object_cast_to_SerialMover(o)
4049 def _get_as_binary(self):
4050 r"""_get_as_binary(SerialMover self) -> PyObject *"""
4051 return _IMP_core.SerialMover__get_as_binary(self)
4053 def _set_from_binary(self, p):
4054 r"""_set_from_binary(SerialMover self, PyObject * p)"""
4055 return _IMP_core.SerialMover__set_from_binary(self, p)
4057 def __getstate__(self):
4058 p = self._get_as_binary()
4059 if len(self.__dict__) > 1:
4060 d = self.__dict__.copy()
4065 def __setstate__(self, p):
4066 if not hasattr(self,
'this'):
4068 if isinstance(p, tuple):
4070 self.__dict__.update(d)
4071 return self._set_from_binary(p)
4074 def _get_jax(self, space):
4077 import jax.numpy
as jnp
4078 from IMP.core._jax_util
import _SerialMover
4079 movers = [m.get_derived_object()._get_jax(space)
4080 for m
in self.get_movers()]
4082 def sub_propose_func(jm, sms, i):
4083 """Call the propose_func of the ith mover"""
4084 jm, sms.mover_state[i], ratio = movers[i].propose_func(
4085 jm, sms.mover_state[i])
4086 sms.proposed_mover_steps = sms.proposed_mover_steps.at[i].add(1)
4087 return jm, sms, ratio
4089 sub_propose_funcs = [functools.partial(sub_propose_func, i=i)
4090 for i
in range(len(movers))]
4096 key, subkey = jax.random.split(key)
4097 mover_state.append(m.init_func(subkey))
4098 return _SerialMover(
4099 imov=-1, mover_state=mover_state,
4100 proposed_mover_steps=jnp.zeros(len(movers), dtype=int),
4101 accepted_mover_steps=jnp.zeros(len(movers), dtype=int))
4103 def reset_stats_func(sms):
4104 sms.mover_state = [m.reset_stats_func(ms)
4105 if m.reset_stats_func
else ms
4106 for (m, ms)
in zip(movers, sms.mover_state)]
4107 sms.proposed_mover_steps = jnp.zeros(len(movers), dtype=int)
4108 sms.accepted_mover_steps = jnp.zeros(len(movers), dtype=int)
4111 def propose_func(jm, sms):
4112 sms.imov = jnp.mod(sms.imov + 1, len(movers))
4113 return jax.lax.switch(sms.imov, sub_propose_funcs, jm, sms)
4115 def accept_func(sms):
4117 sms.accepted_mover_steps = \
4118 sms.accepted_mover_steps.at[sms.imov].add(1)
4121 def sync_func(imp_mover, sms):
4123 for i, mover
in enumerate(imp_mover.get_movers()):
4124 mover.add_to_statistics(
4125 sms.proposed_mover_steps[i],
4126 sms.proposed_mover_steps[i] - sms.accepted_mover_steps[i])
4128 return self._wrap_jax(
4129 init_func, propose_func, accept_func, sync_func,
4130 reset_stats_func=reset_stats_func,
4131 keys=frozenset(x
for m
in movers
for x
in m._keys))
4135 _IMP_core.SerialMover_swigregister(SerialMover)
4136 class SubsetMover(MonteCarloMover):
4137 r"""Proxy of C++ IMP::core::SubsetMover class."""
4139 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4141 def __init__(self, *args):
4143 __init__(SubsetMover self, IMP::core::MonteCarloMoversTemp const & mvs, unsigned int n) -> SubsetMover
4144 __init__(SubsetMover self) -> SubsetMover
4146 _IMP_core.SubsetMover_swiginit(self, _IMP_core.new_SubsetMover(*args))
4148 def get_movers(self):
4149 r"""get_movers(SubsetMover self) -> IMP::core::MonteCarloMovers const &"""
4150 return _IMP_core.SubsetMover_get_movers(self)
4152 def get_subset_size(self):
4153 r"""get_subset_size(SubsetMover self) -> unsigned int"""
4154 return _IMP_core.SubsetMover_get_subset_size(self)
4156 def get_version_info(self):
4157 r"""get_version_info(SubsetMover self) -> VersionInfo"""
4158 return _IMP_core.SubsetMover_get_version_info(self)
4159 __swig_destroy__ = _IMP_core.delete_SubsetMover
4162 r"""__str__(SubsetMover self) -> std::string"""
4163 return _IMP_core.SubsetMover___str__(self)
4166 r"""__repr__(SubsetMover self) -> std::string"""
4167 return _IMP_core.SubsetMover___repr__(self)
4171 return _object_cast_to_SubsetMover(o)
4174 def _get_as_binary(self):
4175 r"""_get_as_binary(SubsetMover self) -> PyObject *"""
4176 return _IMP_core.SubsetMover__get_as_binary(self)
4178 def _set_from_binary(self, p):
4179 r"""_set_from_binary(SubsetMover self, PyObject * p)"""
4180 return _IMP_core.SubsetMover__set_from_binary(self, p)
4182 def __getstate__(self):
4183 p = self._get_as_binary()
4184 if len(self.__dict__) > 1:
4185 d = self.__dict__.copy()
4190 def __setstate__(self, p):
4191 if not hasattr(self,
'this'):
4193 if isinstance(p, tuple):
4195 self.__dict__.update(d)
4196 return self._set_from_binary(p)
4200 _IMP_core.SubsetMover_swigregister(SubsetMover)
4201 class DirectionMover(MonteCarloMover):
4202 r"""Proxy of C++ IMP::core::DirectionMover class."""
4204 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4206 def __init__(self, *args):
4208 __init__(DirectionMover self, Model m, ParticleIndex pi, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4209 __init__(DirectionMover self, Direction d, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4210 __init__(DirectionMover self) -> DirectionMover
4212 _IMP_core.DirectionMover_swiginit(self, _IMP_core.new_DirectionMover(*args))
4214 def set_maximum_rotation(self, mr):
4215 r"""set_maximum_rotation(DirectionMover self, IMP::Float mr)"""
4216 return _IMP_core.DirectionMover_set_maximum_rotation(self, mr)
4218 def set_reflect_probability(self, rp):
4219 r"""set_reflect_probability(DirectionMover self, IMP::Float rp)"""
4220 return _IMP_core.DirectionMover_set_reflect_probability(self, rp)
4222 def get_maximum_rotation(self):
4223 r"""get_maximum_rotation(DirectionMover self) -> IMP::Float"""
4224 return _IMP_core.DirectionMover_get_maximum_rotation(self)
4226 def get_reflect_probability(self):
4227 r"""get_reflect_probability(DirectionMover self) -> IMP::Float"""
4228 return _IMP_core.DirectionMover_get_reflect_probability(self)
4230 def get_direction(self):
4231 r"""get_direction(DirectionMover self) -> Direction"""
4232 return _IMP_core.DirectionMover_get_direction(self)
4234 def get_version_info(self):
4235 r"""get_version_info(DirectionMover self) -> VersionInfo"""
4236 return _IMP_core.DirectionMover_get_version_info(self)
4237 __swig_destroy__ = _IMP_core.delete_DirectionMover
4240 r"""__str__(DirectionMover self) -> std::string"""
4241 return _IMP_core.DirectionMover___str__(self)
4244 r"""__repr__(DirectionMover self) -> std::string"""
4245 return _IMP_core.DirectionMover___repr__(self)
4249 return _object_cast_to_DirectionMover(o)
4252 def _get_as_binary(self):
4253 r"""_get_as_binary(DirectionMover self) -> PyObject *"""
4254 return _IMP_core.DirectionMover__get_as_binary(self)
4256 def _set_from_binary(self, p):
4257 r"""_set_from_binary(DirectionMover self, PyObject * p)"""
4258 return _IMP_core.DirectionMover__set_from_binary(self, p)
4260 def __getstate__(self):
4261 p = self._get_as_binary()
4262 if len(self.__dict__) > 1:
4263 d = self.__dict__.copy()
4268 def __setstate__(self, p):
4269 if not hasattr(self,
'this'):
4271 if isinstance(p, tuple):
4273 self.__dict__.update(d)
4274 return self._set_from_binary(p)
4278 _IMP_core.DirectionMover_swigregister(DirectionMover)
4279 class SurfaceMover(MonteCarloMover):
4280 r"""Proxy of C++ IMP::core::SurfaceMover class."""
4282 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4284 def __init__(self, *args):
4286 __init__(SurfaceMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4287 __init__(SurfaceMover self, Surface s, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4288 __init__(SurfaceMover self) -> SurfaceMover
4290 _IMP_core.SurfaceMover_swiginit(self, _IMP_core.new_SurfaceMover(*args))
4292 def set_maximum_translation(self, mt):
4293 r"""set_maximum_translation(SurfaceMover self, IMP::Float mt)"""
4294 return _IMP_core.SurfaceMover_set_maximum_translation(self, mt)
4296 def set_maximum_rotation(self, mr):
4297 r"""set_maximum_rotation(SurfaceMover self, IMP::Float mr)"""
4298 return _IMP_core.SurfaceMover_set_maximum_rotation(self, mr)
4300 def set_reflect_probability(self, rp):
4301 r"""set_reflect_probability(SurfaceMover self, IMP::Float rp)"""
4302 return _IMP_core.SurfaceMover_set_reflect_probability(self, rp)
4304 def get_maximum_translation(self):
4305 r"""get_maximum_translation(SurfaceMover self) -> IMP::Float"""
4306 return _IMP_core.SurfaceMover_get_maximum_translation(self)
4308 def get_maximum_rotation(self):
4309 r"""get_maximum_rotation(SurfaceMover self) -> IMP::Float"""
4310 return _IMP_core.SurfaceMover_get_maximum_rotation(self)
4312 def get_reflect_probability(self):
4313 r"""get_reflect_probability(SurfaceMover self) -> IMP::Float"""
4314 return _IMP_core.SurfaceMover_get_reflect_probability(self)
4316 def get_surface(self):
4317 r"""get_surface(SurfaceMover self) -> Surface"""
4318 return _IMP_core.SurfaceMover_get_surface(self)
4320 def get_version_info(self):
4321 r"""get_version_info(SurfaceMover self) -> VersionInfo"""
4322 return _IMP_core.SurfaceMover_get_version_info(self)
4323 __swig_destroy__ = _IMP_core.delete_SurfaceMover
4326 r"""__str__(SurfaceMover self) -> std::string"""
4327 return _IMP_core.SurfaceMover___str__(self)
4330 r"""__repr__(SurfaceMover self) -> std::string"""
4331 return _IMP_core.SurfaceMover___repr__(self)
4335 return _object_cast_to_SurfaceMover(o)
4338 def _get_as_binary(self):
4339 r"""_get_as_binary(SurfaceMover self) -> PyObject *"""
4340 return _IMP_core.SurfaceMover__get_as_binary(self)
4342 def _set_from_binary(self, p):
4343 r"""_set_from_binary(SurfaceMover self, PyObject * p)"""
4344 return _IMP_core.SurfaceMover__set_from_binary(self, p)
4346 def __getstate__(self):
4347 p = self._get_as_binary()
4348 if len(self.__dict__) > 1:
4349 d = self.__dict__.copy()
4354 def __setstate__(self, p):
4355 if not hasattr(self,
'this'):
4357 if isinstance(p, tuple):
4359 self.__dict__.update(d)
4360 return self._set_from_binary(p)
4364 _IMP_core.SurfaceMover_swigregister(SurfaceMover)
4365 class BoxSweepClosePairsFinder(ClosePairsFinder):
4366 r"""Proxy of C++ IMP::core::BoxSweepClosePairsFinder class."""
4368 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4371 r"""__init__(BoxSweepClosePairsFinder self) -> BoxSweepClosePairsFinder"""
4372 _IMP_core.BoxSweepClosePairsFinder_swiginit(self, _IMP_core.new_BoxSweepClosePairsFinder())
4374 def get_close_pairs(self, *args):
4376 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4377 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4378 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
4379 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
4381 return _IMP_core.BoxSweepClosePairsFinder_get_close_pairs(self, *args)
4383 def do_get_inputs(self, m, pis):
4384 r"""do_get_inputs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4385 return _IMP_core.BoxSweepClosePairsFinder_do_get_inputs(self, m, pis)
4387 def get_version_info(self):
4388 r"""get_version_info(BoxSweepClosePairsFinder self) -> VersionInfo"""
4389 return _IMP_core.BoxSweepClosePairsFinder_get_version_info(self)
4390 __swig_destroy__ = _IMP_core.delete_BoxSweepClosePairsFinder
4393 r"""__str__(BoxSweepClosePairsFinder self) -> std::string"""
4394 return _IMP_core.BoxSweepClosePairsFinder___str__(self)
4397 r"""__repr__(BoxSweepClosePairsFinder self) -> std::string"""
4398 return _IMP_core.BoxSweepClosePairsFinder___repr__(self)
4402 return _object_cast_to_BoxSweepClosePairsFinder(o)
4406 _IMP_core.BoxSweepClosePairsFinder_swigregister(BoxSweepClosePairsFinder)
4408 r"""Proxy of C++ IMP::core::CentroidOfRefined class."""
4410 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4412 def __init__(self, *args):
4414 __init__(CentroidOfRefined self, Refiner r, FloatKey weight=IMP::FloatKey(), IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> CentroidOfRefined
4415 __init__(CentroidOfRefined self) -> CentroidOfRefined
4417 _IMP_core.CentroidOfRefined_swiginit(self, _IMP_core.new_CentroidOfRefined(*args))
4419 def get_refiner(self):
4420 r"""get_refiner(CentroidOfRefined self) -> Refiner"""
4421 return _IMP_core.CentroidOfRefined_get_refiner(self)
4423 def get_weight(self):
4424 r"""get_weight(CentroidOfRefined self) -> FloatKey"""
4425 return _IMP_core.CentroidOfRefined_get_weight(self)
4428 r"""get_keys(CentroidOfRefined self) -> IMP::FloatKeys"""
4429 return _IMP_core.CentroidOfRefined_get_keys(self)
4431 def get_is_weight_null(self):
4432 r"""get_is_weight_null(CentroidOfRefined self) -> bool"""
4433 return _IMP_core.CentroidOfRefined_get_is_weight_null(self)
4435 def do_get_inputs(self, m, pis):
4436 r"""do_get_inputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4437 return _IMP_core.CentroidOfRefined_do_get_inputs(self, m, pis)
4439 def do_get_outputs(self, m, pis):
4440 r"""do_get_outputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4441 return _IMP_core.CentroidOfRefined_do_get_outputs(self, m, pis)
4443 def get_version_info(self):
4444 r"""get_version_info(CentroidOfRefined self) -> VersionInfo"""
4445 return _IMP_core.CentroidOfRefined_get_version_info(self)
4446 __swig_destroy__ = _IMP_core.delete_CentroidOfRefined
4449 r"""__str__(CentroidOfRefined self) -> std::string"""
4450 return _IMP_core.CentroidOfRefined___str__(self)
4453 r"""__repr__(CentroidOfRefined self) -> std::string"""
4454 return _IMP_core.CentroidOfRefined___repr__(self)
4458 return _object_cast_to_CentroidOfRefined(o)
4461 def _get_as_binary(self):
4462 r"""_get_as_binary(CentroidOfRefined self) -> PyObject *"""
4463 return _IMP_core.CentroidOfRefined__get_as_binary(self)
4465 def _set_from_binary(self, p):
4466 r"""_set_from_binary(CentroidOfRefined self, PyObject * p)"""
4467 return _IMP_core.CentroidOfRefined__set_from_binary(self, p)
4469 def __getstate__(self):
4470 p = self._get_as_binary()
4471 if len(self.__dict__) > 1:
4472 d = self.__dict__.copy()
4477 def __setstate__(self, p):
4478 if not hasattr(self,
'this'):
4480 if isinstance(p, tuple):
4482 self.__dict__.update(d)
4483 return self._set_from_binary(p)
4486 def _get_jax(self, m, indexes):
4487 import jax.numpy
as jnp
4490 for index
in indexes]
4492 def apply_func_unweighted(jm):
4493 for ind, ref
in zip(indexes, refined):
4495 jm[
'xyz'] = xyz.at[ind].set(jnp.average(xyz[ref], axis=0))
4498 def apply_func_weighted(jm, weight_key):
4499 for ind, ref
in zip(indexes, refined):
4501 weights = jm[weight_key][ref]
4502 jm[
'xyz'] = xyz.at[ind].set(
4503 jnp.average(xyz[ref], axis=0, weights=weights))
4506 keys = frozenset(self.get_keys())
4508 raise NotImplementedError(
"Only works for XYZ")
4510 if self.get_is_weight_null():
4511 return self._wrap_jax(apply_func_unweighted)
4513 weight_key = self.get_weight()
4514 return self._wrap_jax(
4515 functools.partial(apply_func_weighted,
4516 weight_key=weight_key.get_string()),
4521 _IMP_core.CentroidOfRefined_swigregister(CentroidOfRefined)
4522 class Centroid(XYZ):
4523 r"""Proxy of C++ IMP::core::Centroid class."""
4525 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4527 def get_constraint(self):
4528 r"""get_constraint(Centroid self) -> Constraint"""
4529 return _IMP_core.Centroid_get_constraint(self)
4531 def __init__(self, *args):
4533 __init__(Centroid self) -> Centroid
4534 __init__(Centroid self, Model m, ParticleIndex id) -> Centroid
4535 __init__(Centroid self, _ParticleAdaptor d) -> Centroid
4537 _IMP_core.Centroid_swiginit(self, _IMP_core.new_Centroid(*args))
4539 def show(self, *args):
4540 r"""show(Centroid self, _ostream out=std::cout)"""
4541 return _IMP_core.Centroid_show(self, *args)
4544 def setup_particle(*args):
4546 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Centroid
4547 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Centroid
4548 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Centroid
4549 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Centroid
4551 return _IMP_core.Centroid_setup_particle(*args)
4554 def get_is_setup(*args):
4556 get_is_setup(_ParticleAdaptor p) -> bool
4557 get_is_setup(Model m, ParticleIndex pi) -> bool
4559 return _IMP_core.Centroid_get_is_setup(*args)
4561 def add_attribute(self, *args):
4563 add_attribute(Centroid self, FloatKey k, IMP::Float v, bool opt)
4564 add_attribute(Centroid self, FloatKey a0, IMP::Float a1)
4565 add_attribute(Centroid self, IntKey a0, IMP::Int a1)
4566 add_attribute(Centroid self, FloatsKey a0, IMP::Floats a1)
4567 add_attribute(Centroid self, IntsKey a0, IMP::Ints a1)
4568 add_attribute(Centroid self, StringKey a0, IMP::String a1)
4569 add_attribute(Centroid self, ParticleIndexKey a0, Particle a1)
4570 add_attribute(Centroid self, ObjectKey a0, Object a1)
4571 add_attribute(Centroid self, SparseFloatKey a0, IMP::Float a1)
4572 add_attribute(Centroid self, SparseIntKey a0, IMP::Int a1)
4573 add_attribute(Centroid self, SparseStringKey a0, IMP::String a1)
4574 add_attribute(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4576 return _IMP_core.Centroid_add_attribute(self, *args)
4578 def get_value(self, *args):
4580 get_value(Centroid self, FloatKey a0) -> IMP::Float
4581 get_value(Centroid self, IntKey a0) -> IMP::Int
4582 get_value(Centroid self, FloatsKey a0) -> IMP::Floats
4583 get_value(Centroid self, IntsKey a0) -> IMP::Ints
4584 get_value(Centroid self, StringKey a0) -> IMP::String
4585 get_value(Centroid self, ParticleIndexKey a0) -> Particle
4586 get_value(Centroid self, ObjectKey a0) -> Object
4587 get_value(Centroid self, SparseFloatKey a0) -> IMP::Float
4588 get_value(Centroid self, SparseIntKey a0) -> IMP::Int
4589 get_value(Centroid self, SparseStringKey a0) -> IMP::String
4590 get_value(Centroid self, SparseParticleIndexKey a0) -> ParticleIndex
4592 return _IMP_core.Centroid_get_value(self, *args)
4594 def set_value(self, *args):
4596 set_value(Centroid self, FloatKey a0, IMP::Float a1)
4597 set_value(Centroid self, IntKey a0, IMP::Int a1)
4598 set_value(Centroid self, FloatsKey a0, IMP::Floats a1)
4599 set_value(Centroid self, IntsKey a0, IMP::Ints a1)
4600 set_value(Centroid self, StringKey a0, IMP::String a1)
4601 set_value(Centroid self, ParticleIndexKey a0, Particle a1)
4602 set_value(Centroid self, ObjectKey a0, Object a1)
4603 set_value(Centroid self, SparseFloatKey a0, IMP::Float a1)
4604 set_value(Centroid self, SparseIntKey a0, IMP::Int a1)
4605 set_value(Centroid self, SparseStringKey a0, IMP::String a1)
4606 set_value(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4608 return _IMP_core.Centroid_set_value(self, *args)
4610 def remove_attribute(self, *args):
4612 remove_attribute(Centroid self, FloatKey a0)
4613 remove_attribute(Centroid self, IntKey a0)
4614 remove_attribute(Centroid self, FloatsKey a0)
4615 remove_attribute(Centroid self, IntsKey a0)
4616 remove_attribute(Centroid self, StringKey a0)
4617 remove_attribute(Centroid self, ParticleIndexKey a0)
4618 remove_attribute(Centroid self, ObjectKey a0)
4619 remove_attribute(Centroid self, SparseFloatKey a0)
4620 remove_attribute(Centroid self, SparseIntKey a0)
4621 remove_attribute(Centroid self, SparseStringKey a0)
4622 remove_attribute(Centroid self, SparseParticleIndexKey a0)
4624 return _IMP_core.Centroid_remove_attribute(self, *args)
4626 def has_attribute(self, *args):
4628 has_attribute(Centroid self, FloatKey a0) -> bool
4629 has_attribute(Centroid self, IntKey a0) -> bool
4630 has_attribute(Centroid self, FloatsKey a0) -> bool
4631 has_attribute(Centroid self, IntsKey a0) -> bool
4632 has_attribute(Centroid self, StringKey a0) -> bool
4633 has_attribute(Centroid self, ParticleIndexKey a0) -> bool
4634 has_attribute(Centroid self, ObjectKey a0) -> bool
4635 has_attribute(Centroid self, SparseFloatKey a0) -> bool
4636 has_attribute(Centroid self, SparseIntKey a0) -> bool
4637 has_attribute(Centroid self, SparseStringKey a0) -> bool
4638 has_attribute(Centroid self, SparseParticleIndexKey a0) -> bool
4640 return _IMP_core.Centroid_has_attribute(self, *args)
4642 def get_derivative(self, a0):
4643 r"""get_derivative(Centroid self, FloatKey a0) -> double"""
4644 return _IMP_core.Centroid_get_derivative(self, a0)
4647 r"""get_name(Centroid self) -> std::string"""
4648 return _IMP_core.Centroid_get_name(self)
4650 def clear_caches(self):
4651 r"""clear_caches(Centroid self)"""
4652 return _IMP_core.Centroid_clear_caches(self)
4654 def set_name(self, a0):
4655 r"""set_name(Centroid self, std::string a0)"""
4656 return _IMP_core.Centroid_set_name(self, a0)
4659 r"""set_check_level(Centroid self, IMP::CheckLevel a0)"""
4660 return _IMP_core.Centroid_set_check_level(self, a0)
4662 def add_to_derivative(self, a0, a1, a2):
4663 r"""add_to_derivative(Centroid self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4664 return _IMP_core.Centroid_add_to_derivative(self, a0, a1, a2)
4666 def set_is_optimized(self, a0, a1):
4667 r"""set_is_optimized(Centroid self, FloatKey a0, bool a1)"""
4668 return _IMP_core.Centroid_set_is_optimized(self, a0, a1)
4670 def get_is_optimized(self, a0):
4671 r"""get_is_optimized(Centroid self, FloatKey a0) -> bool"""
4672 return _IMP_core.Centroid_get_is_optimized(self, a0)
4675 r"""get_check_level(Centroid self) -> IMP::CheckLevel"""
4676 return _IMP_core.Centroid_get_check_level(self)
4678 def __eq__(self, *args):
4680 __eq__(Centroid self, Centroid o) -> bool
4681 __eq__(Centroid self, Particle d) -> bool
4683 return _IMP_core.Centroid___eq__(self, *args)
4685 def __ne__(self, *args):
4687 __ne__(Centroid self, Centroid o) -> bool
4688 __ne__(Centroid self, Particle d) -> bool
4690 return _IMP_core.Centroid___ne__(self, *args)
4692 def __le__(self, *args):
4694 __le__(Centroid self, Centroid o) -> bool
4695 __le__(Centroid self, Particle d) -> bool
4697 return _IMP_core.Centroid___le__(self, *args)
4699 def __lt__(self, *args):
4701 __lt__(Centroid self, Centroid o) -> bool
4702 __lt__(Centroid self, Particle d) -> bool
4704 return _IMP_core.Centroid___lt__(self, *args)
4706 def __ge__(self, *args):
4708 __ge__(Centroid self, Centroid o) -> bool
4709 __ge__(Centroid self, Particle d) -> bool
4711 return _IMP_core.Centroid___ge__(self, *args)
4713 def __gt__(self, *args):
4715 __gt__(Centroid self, Centroid o) -> bool
4716 __gt__(Centroid self, Particle d) -> bool
4718 return _IMP_core.Centroid___gt__(self, *args)
4721 r"""__hash__(Centroid self) -> std::size_t"""
4722 return _IMP_core.Centroid___hash__(self)
4725 r"""__str__(Centroid self) -> std::string"""
4726 return _IMP_core.Centroid___str__(self)
4729 r"""__repr__(Centroid self) -> std::string"""
4730 return _IMP_core.Centroid___repr__(self)
4732 def _get_as_binary(self):
4733 r"""_get_as_binary(Centroid self) -> PyObject *"""
4734 return _IMP_core.Centroid__get_as_binary(self)
4736 def _set_from_binary(self, p):
4737 r"""_set_from_binary(Centroid self, PyObject * p)"""
4738 return _IMP_core.Centroid__set_from_binary(self, p)
4740 def __getstate__(self):
4741 p = self._get_as_binary()
4742 if len(self.__dict__) > 1:
4743 d = self.__dict__.copy()
4748 def __setstate__(self, p):
4749 if not hasattr(self,
'this'):
4751 if isinstance(p, tuple):
4753 self.__dict__.update(d)
4754 return self._set_from_binary(p)
4756 __swig_destroy__ = _IMP_core.delete_Centroid
4759 _IMP_core.Centroid_swigregister(Centroid)
4761 r"""Proxy of C++ IMP::core::ChecksScoreState class."""
4763 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4765 def __init__(self, *args):
4767 __init__(ChecksScoreState self, Model m, double probability) -> ChecksScoreState
4768 __init__(ChecksScoreState self) -> ChecksScoreState
4770 _IMP_core.ChecksScoreState_swiginit(self, _IMP_core.new_ChecksScoreState(*args))
4772 def get_number_of_checked(self):
4773 r"""get_number_of_checked(ChecksScoreState self) -> unsigned int"""
4774 return _IMP_core.ChecksScoreState_get_number_of_checked(self)
4776 def do_before_evaluate(self):
4777 r"""do_before_evaluate(ChecksScoreState self)"""
4778 return _IMP_core.ChecksScoreState_do_before_evaluate(self)
4780 def do_after_evaluate(self, da):
4781 r"""do_after_evaluate(ChecksScoreState self, DerivativeAccumulator da)"""
4782 return _IMP_core.ChecksScoreState_do_after_evaluate(self, da)
4784 def do_get_outputs(self):
4785 r"""do_get_outputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4786 return _IMP_core.ChecksScoreState_do_get_outputs(self)
4788 def do_get_inputs(self):
4789 r"""do_get_inputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4790 return _IMP_core.ChecksScoreState_do_get_inputs(self)
4792 def get_version_info(self):
4793 r"""get_version_info(ChecksScoreState self) -> VersionInfo"""
4794 return _IMP_core.ChecksScoreState_get_version_info(self)
4795 __swig_destroy__ = _IMP_core.delete_ChecksScoreState
4798 r"""__str__(ChecksScoreState self) -> std::string"""
4799 return _IMP_core.ChecksScoreState___str__(self)
4802 r"""__repr__(ChecksScoreState self) -> std::string"""
4803 return _IMP_core.ChecksScoreState___repr__(self)
4807 return _object_cast_to_ChecksScoreState(o)
4810 def _get_as_binary(self):
4811 r"""_get_as_binary(ChecksScoreState self) -> PyObject *"""
4812 return _IMP_core.ChecksScoreState__get_as_binary(self)
4814 def _set_from_binary(self, p):
4815 r"""_set_from_binary(ChecksScoreState self, PyObject * p)"""
4816 return _IMP_core.ChecksScoreState__set_from_binary(self, p)
4818 def __getstate__(self):
4819 p = self._get_as_binary()
4820 if len(self.__dict__) > 1:
4821 d = self.__dict__.copy()
4826 def __setstate__(self, p):
4827 if not hasattr(self,
'this'):
4829 if isinstance(p, tuple):
4831 self.__dict__.update(d)
4832 return self._set_from_binary(p)
4836 _IMP_core.ChecksScoreState_swigregister(ChecksScoreState)
4838 r"""Proxy of C++ IMP::core::ChildrenRefiner class."""
4840 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4842 def __init__(self, tr):
4843 r"""__init__(ChildrenRefiner self, HierarchyTraits tr) -> ChildrenRefiner"""
4844 _IMP_core.ChildrenRefiner_swiginit(self, _IMP_core.new_ChildrenRefiner(tr))
4846 def do_get_inputs(self, m, pis):
4847 r"""do_get_inputs(ChildrenRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4848 return _IMP_core.ChildrenRefiner_do_get_inputs(self, m, pis)
4850 def get_version_info(self):
4851 r"""get_version_info(ChildrenRefiner self) -> VersionInfo"""
4852 return _IMP_core.ChildrenRefiner_get_version_info(self)
4853 __swig_destroy__ = _IMP_core.delete_ChildrenRefiner
4856 r"""__str__(ChildrenRefiner self) -> std::string"""
4857 return _IMP_core.ChildrenRefiner___str__(self)
4860 r"""__repr__(ChildrenRefiner self) -> std::string"""
4861 return _IMP_core.ChildrenRefiner___repr__(self)
4865 return _object_cast_to_ChildrenRefiner(o)
4869 _IMP_core.ChildrenRefiner_swigregister(ChildrenRefiner)
4871 r"""Proxy of C++ IMP::core::ClosedCubicSpline class."""
4873 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4875 def __init__(self, values, minrange, spacing):
4876 r"""__init__(ClosedCubicSpline self, IMP::Floats const & values, double minrange, double spacing) -> ClosedCubicSpline"""
4877 _IMP_core.ClosedCubicSpline_swiginit(self, _IMP_core.new_ClosedCubicSpline(values, minrange, spacing))
4879 def get_version_info(self):
4880 r"""get_version_info(ClosedCubicSpline self) -> VersionInfo"""
4881 return _IMP_core.ClosedCubicSpline_get_version_info(self)
4882 __swig_destroy__ = _IMP_core.delete_ClosedCubicSpline
4884 def do_show(self, out):
4885 r"""do_show(ClosedCubicSpline self, _ostream out)"""
4886 return _IMP_core.ClosedCubicSpline_do_show(self, out)
4888 def get_minrange(self):
4889 r"""get_minrange(ClosedCubicSpline self) -> IMP::Float"""
4890 return _IMP_core.ClosedCubicSpline_get_minrange(self)
4892 def get_spacing(self):
4893 r"""get_spacing(ClosedCubicSpline self) -> IMP::Float"""
4894 return _IMP_core.ClosedCubicSpline_get_spacing(self)
4896 def get_values(self):
4897 r"""get_values(ClosedCubicSpline self) -> IMP::Floats"""
4898 return _IMP_core.ClosedCubicSpline_get_values(self)
4900 def get_second_derivatives(self):
4901 r"""get_second_derivatives(ClosedCubicSpline self) -> IMP::Floats"""
4902 return _IMP_core.ClosedCubicSpline_get_second_derivatives(self)
4905 r"""__str__(ClosedCubicSpline self) -> std::string"""
4906 return _IMP_core.ClosedCubicSpline___str__(self)
4909 r"""__repr__(ClosedCubicSpline self) -> std::string"""
4910 return _IMP_core.ClosedCubicSpline___repr__(self)
4914 return _object_cast_to_ClosedCubicSpline(o)
4918 import jax.numpy
as jnp
4919 from IMP.core._jax_util
import _spline
4920 def score(feature, minrange, spacing, values, second_derivs):
4922 lowbin = jnp.array((feature - minrange) / spacing, dtype=int)
4924 highbin = jnp.remainder(lowbin + 1, len(values))
4925 return _spline(feature, minrange, lowbin, highbin, spacing,
4926 values, second_derivs)
4927 return functools.partial(
4928 score, minrange=self.get_minrange(),
4929 spacing=self.get_spacing(), values=jnp.asarray(self.get_values()),
4930 second_derivs=jnp.asarray(self.get_second_derivatives()))
4934 _IMP_core.ClosedCubicSpline_swigregister(ClosedCubicSpline)
4936 r"""Proxy of C++ IMP::core::KClosePairsPairScore class."""
4938 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4940 def __init__(self, f, r, k=1):
4941 r"""__init__(KClosePairsPairScore self, PairScore f, Refiner r, int k=1) -> KClosePairsPairScore"""
4942 _IMP_core.KClosePairsPairScore_swiginit(self, _IMP_core.new_KClosePairsPairScore(f, r, k))
4944 def get_close_pairs(self, pp):
4945 r"""get_close_pairs(KClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
4946 return _IMP_core.KClosePairsPairScore_get_close_pairs(self, pp)
4948 def create_current_decomposition(self, m, vt):
4949 r"""create_current_decomposition(KClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
4950 return _IMP_core.KClosePairsPairScore_create_current_decomposition(self, m, vt)
4952 def do_get_inputs(self, m, pis):
4953 r"""do_get_inputs(KClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4954 return _IMP_core.KClosePairsPairScore_do_get_inputs(self, m, pis)
4956 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4957 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"""
4958 return _IMP_core.KClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4960 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4961 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"""
4962 return _IMP_core.KClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4964 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4965 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"""
4966 return _IMP_core.KClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4968 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4969 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"""
4970 return _IMP_core.KClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4972 def get_version_info(self):
4973 r"""get_version_info(KClosePairsPairScore self) -> VersionInfo"""
4974 return _IMP_core.KClosePairsPairScore_get_version_info(self)
4975 __swig_destroy__ = _IMP_core.delete_KClosePairsPairScore
4978 r"""__str__(KClosePairsPairScore self) -> std::string"""
4979 return _IMP_core.KClosePairsPairScore___str__(self)
4982 r"""__repr__(KClosePairsPairScore self) -> std::string"""
4983 return _IMP_core.KClosePairsPairScore___repr__(self)
4987 return _object_cast_to_KClosePairsPairScore(o)
4991 _IMP_core.KClosePairsPairScore_swigregister(KClosePairsPairScore)
4993 r"""Proxy of C++ IMP::core::ClosePairsPairScore class."""
4995 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4997 def __init__(self, f, r, max_distance):
4998 r"""__init__(ClosePairsPairScore self, PairScore f, Refiner r, IMP::Float max_distance) -> ClosePairsPairScore"""
4999 _IMP_core.ClosePairsPairScore_swiginit(self, _IMP_core.new_ClosePairsPairScore(f, r, max_distance))
5001 def get_close_pairs(self, pp):
5002 r"""get_close_pairs(ClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
5003 return _IMP_core.ClosePairsPairScore_get_close_pairs(self, pp)
5005 def create_current_decomposition(self, m, vt):
5006 r"""create_current_decomposition(ClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
5007 return _IMP_core.ClosePairsPairScore_create_current_decomposition(self, m, vt)
5009 def do_get_inputs(self, m, pis):
5010 r"""do_get_inputs(ClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5011 return _IMP_core.ClosePairsPairScore_do_get_inputs(self, m, pis)
5013 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
5014 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"""
5015 return _IMP_core.ClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
5017 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
5018 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"""
5019 return _IMP_core.ClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
5021 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
5022 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"""
5023 return _IMP_core.ClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
5025 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
5026 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"""
5027 return _IMP_core.ClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
5029 def get_version_info(self):
5030 r"""get_version_info(ClosePairsPairScore self) -> VersionInfo"""
5031 return _IMP_core.ClosePairsPairScore_get_version_info(self)
5032 __swig_destroy__ = _IMP_core.delete_ClosePairsPairScore
5035 r"""__str__(ClosePairsPairScore self) -> std::string"""
5036 return _IMP_core.ClosePairsPairScore___str__(self)
5039 r"""__repr__(ClosePairsPairScore self) -> std::string"""
5040 return _IMP_core.ClosePairsPairScore___repr__(self)
5044 return _object_cast_to_ClosePairsPairScore(o)
5048 _IMP_core.ClosePairsPairScore_swigregister(ClosePairsPairScore)
5050 r"""Proxy of C++ IMP::core::ConjugateGradients class."""
5052 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5054 def __init__(self, *args):
5056 __init__(ConjugateGradients self, Model m, std::string name="ConjugateGradients%1%") -> ConjugateGradients
5057 __init__(ConjugateGradients self) -> ConjugateGradients
5059 _IMP_core.ConjugateGradients_swiginit(self, _IMP_core.new_ConjugateGradients(*args))
5061 def set_gradient_threshold(self, t):
5062 r"""set_gradient_threshold(ConjugateGradients self, IMP::Float t)"""
5063 return _IMP_core.ConjugateGradients_set_gradient_threshold(self, t)
5065 def set_max_change(self, t):
5066 r"""set_max_change(ConjugateGradients self, IMP::Float t)"""
5067 return _IMP_core.ConjugateGradients_set_max_change(self, t)
5069 def do_optimize(self, max_steps):
5070 r"""do_optimize(ConjugateGradients self, unsigned int max_steps) -> IMP::Float"""
5071 return _IMP_core.ConjugateGradients_do_optimize(self, max_steps)
5073 def get_version_info(self):
5074 r"""get_version_info(ConjugateGradients self) -> VersionInfo"""
5075 return _IMP_core.ConjugateGradients_get_version_info(self)
5076 __swig_destroy__ = _IMP_core.delete_ConjugateGradients
5079 r"""__str__(ConjugateGradients self) -> std::string"""
5080 return _IMP_core.ConjugateGradients___str__(self)
5083 r"""__repr__(ConjugateGradients self) -> std::string"""
5084 return _IMP_core.ConjugateGradients___repr__(self)
5088 return _object_cast_to_ConjugateGradients(o)
5091 def _get_as_binary(self):
5092 r"""_get_as_binary(ConjugateGradients self) -> PyObject *"""
5093 return _IMP_core.ConjugateGradients__get_as_binary(self)
5095 def _set_from_binary(self, p):
5096 r"""_set_from_binary(ConjugateGradients self, PyObject * p)"""
5097 return _IMP_core.ConjugateGradients__set_from_binary(self, p)
5099 def __getstate__(self):
5100 p = self._get_as_binary()
5101 if len(self.__dict__) > 1:
5102 d = self.__dict__.copy()
5107 def __setstate__(self, p):
5108 if not hasattr(self,
'this'):
5110 if isinstance(p, tuple):
5112 self.__dict__.update(d)
5113 return self._set_from_binary(p)
5117 _IMP_core.ConjugateGradients_swigregister(ConjugateGradients)
5119 r"""Proxy of C++ IMP::core::ConnectivityRestraint class."""
5121 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5123 def __init__(self, ps, sc):
5124 r"""__init__(ConnectivityRestraint self, PairScore ps, _SingletonContainerAdaptor sc) -> ConnectivityRestraint"""
5125 _IMP_core.ConnectivityRestraint_swiginit(self, _IMP_core.new_ConnectivityRestraint(ps, sc))
5127 def get_connected_index_pairs(self):
5128 r"""get_connected_index_pairs(ConnectivityRestraint self) -> IMP::ParticleIndexPairs"""
5129 return _IMP_core.ConnectivityRestraint_get_connected_index_pairs(self)
5131 def get_pair_score(self):
5132 r"""get_pair_score(ConnectivityRestraint self) -> PairScore"""
5133 return _IMP_core.ConnectivityRestraint_get_pair_score(self)
5135 def do_create_current_decomposition(self):
5136 r"""do_create_current_decomposition(ConnectivityRestraint self) -> IMP::Restraints"""
5137 return _IMP_core.ConnectivityRestraint_do_create_current_decomposition(self)
5139 def do_get_inputs(self):
5140 r"""do_get_inputs(ConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
5141 return _IMP_core.ConnectivityRestraint_do_get_inputs(self)
5143 def get_version_info(self):
5144 r"""get_version_info(ConnectivityRestraint self) -> VersionInfo"""
5145 return _IMP_core.ConnectivityRestraint_get_version_info(self)
5146 __swig_destroy__ = _IMP_core.delete_ConnectivityRestraint
5149 r"""__str__(ConnectivityRestraint self) -> std::string"""
5150 return _IMP_core.ConnectivityRestraint___str__(self)
5153 r"""__repr__(ConnectivityRestraint self) -> std::string"""
5154 return _IMP_core.ConnectivityRestraint___repr__(self)
5158 return _object_cast_to_ConnectivityRestraint(o)
5162 _IMP_core.ConnectivityRestraint_swigregister(ConnectivityRestraint)
5164 r"""Proxy of C++ IMP::core::ConstantRestraint class."""
5166 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5168 def __init__(self, *args):
5170 __init__(ConstantRestraint self, Model m, IMP::Float v) -> ConstantRestraint
5171 __init__(ConstantRestraint self) -> ConstantRestraint
5173 _IMP_core.ConstantRestraint_swiginit(self, _IMP_core.new_ConstantRestraint(*args))
5175 def do_get_inputs(self):
5176 r"""do_get_inputs(ConstantRestraint self) -> IMP::ModelObjectsTemp"""
5177 return _IMP_core.ConstantRestraint_do_get_inputs(self)
5179 def get_version_info(self):
5180 r"""get_version_info(ConstantRestraint self) -> VersionInfo"""
5181 return _IMP_core.ConstantRestraint_get_version_info(self)
5182 __swig_destroy__ = _IMP_core.delete_ConstantRestraint
5185 r"""__str__(ConstantRestraint self) -> std::string"""
5186 return _IMP_core.ConstantRestraint___str__(self)
5189 r"""__repr__(ConstantRestraint self) -> std::string"""
5190 return _IMP_core.ConstantRestraint___repr__(self)
5194 return _object_cast_to_ConstantRestraint(o)
5197 def _get_as_binary(self):
5198 r"""_get_as_binary(ConstantRestraint self) -> PyObject *"""
5199 return _IMP_core.ConstantRestraint__get_as_binary(self)
5201 def _set_from_binary(self, p):
5202 r"""_set_from_binary(ConstantRestraint self, PyObject * p)"""
5203 return _IMP_core.ConstantRestraint__set_from_binary(self, p)
5205 def __getstate__(self):
5206 p = self._get_as_binary()
5207 if len(self.__dict__) > 1:
5208 d = self.__dict__.copy()
5213 def __setstate__(self, p):
5214 if not hasattr(self,
'this'):
5216 if isinstance(p, tuple):
5218 self.__dict__.update(d)
5219 return self._set_from_binary(p)
5223 _IMP_core.ConstantRestraint_swigregister(ConstantRestraint)
5225 r"""Proxy of C++ IMP::core::Cosine class."""
5227 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5229 def __init__(self, *args):
5231 __init__(Cosine self, IMP::Float force_constant, int periodicity, IMP::Float phase) -> Cosine
5232 __init__(Cosine self) -> Cosine
5234 _IMP_core.Cosine_swiginit(self, _IMP_core.new_Cosine(*args))
5236 def get_force_constant(self):
5237 r"""get_force_constant(Cosine self) -> IMP::Float"""
5238 return _IMP_core.Cosine_get_force_constant(self)
5240 def get_periodicity(self):
5241 r"""get_periodicity(Cosine self) -> int"""
5242 return _IMP_core.Cosine_get_periodicity(self)
5244 def get_phase(self):
5245 r"""get_phase(Cosine self) -> IMP::Float"""
5246 return _IMP_core.Cosine_get_phase(self)
5248 def get_version_info(self):
5249 r"""get_version_info(Cosine self) -> VersionInfo"""
5250 return _IMP_core.Cosine_get_version_info(self)
5251 __swig_destroy__ = _IMP_core.delete_Cosine
5253 def do_show(self, out):
5254 r"""do_show(Cosine self, _ostream out)"""
5255 return _IMP_core.Cosine_do_show(self, out)
5258 r"""__str__(Cosine self) -> std::string"""
5259 return _IMP_core.Cosine___str__(self)
5262 r"""__repr__(Cosine self) -> std::string"""
5263 return _IMP_core.Cosine___repr__(self)
5267 return _object_cast_to_Cosine(o)
5270 def _get_as_binary(self):
5271 r"""_get_as_binary(Cosine self) -> PyObject *"""
5272 return _IMP_core.Cosine__get_as_binary(self)
5274 def _set_from_binary(self, p):
5275 r"""_set_from_binary(Cosine self, PyObject * p)"""
5276 return _IMP_core.Cosine__set_from_binary(self, p)
5278 def __getstate__(self):
5279 p = self._get_as_binary()
5280 if len(self.__dict__) > 1:
5281 d = self.__dict__.copy()
5286 def __setstate__(self, p):
5287 if not hasattr(self,
'this'):
5289 if isinstance(p, tuple):
5291 self.__dict__.update(d)
5292 return self._set_from_binary(p)
5296 import jax.numpy
as jnp
5297 def score(val, k, period, phase):
5298 return jnp.abs(k) - k * jnp.cos(period * val + phase)
5299 return functools.partial(score, k=self.get_force_constant(),
5300 period=self.get_periodicity(),
5301 phase=self.get_phase())
5305 _IMP_core.Cosine_swigregister(Cosine)
5307 r"""Proxy of C++ IMP::core::CoverRefined class."""
5309 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5311 def __init__(self, ref, slack=0):
5312 r"""__init__(CoverRefined self, Refiner ref, IMP::Float slack=0) -> CoverRefined"""
5313 _IMP_core.CoverRefined_swiginit(self, _IMP_core.new_CoverRefined(ref, slack))
5315 def set_slack(self, slack):
5316 r"""set_slack(CoverRefined self, IMP::Float slack)"""
5317 return _IMP_core.CoverRefined_set_slack(self, slack)
5319 def do_get_inputs(self, m, pis):
5320 r"""do_get_inputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5321 return _IMP_core.CoverRefined_do_get_inputs(self, m, pis)
5323 def do_get_outputs(self, m, pis):
5324 r"""do_get_outputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5325 return _IMP_core.CoverRefined_do_get_outputs(self, m, pis)
5327 def get_version_info(self):
5328 r"""get_version_info(CoverRefined self) -> VersionInfo"""
5329 return _IMP_core.CoverRefined_get_version_info(self)
5330 __swig_destroy__ = _IMP_core.delete_CoverRefined
5333 r"""__str__(CoverRefined self) -> std::string"""
5334 return _IMP_core.CoverRefined___str__(self)
5337 r"""__repr__(CoverRefined self) -> std::string"""
5338 return _IMP_core.CoverRefined___repr__(self)
5342 return _object_cast_to_CoverRefined(o)
5346 _IMP_core.CoverRefined_swigregister(CoverRefined)
5348 r"""Proxy of C++ IMP::core::Cover class."""
5350 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5352 def get_constraint(self):
5353 r"""get_constraint(Cover self) -> Constraint"""
5354 return _IMP_core.Cover_get_constraint(self)
5356 def __init__(self, *args):
5358 __init__(Cover self) -> Cover
5359 __init__(Cover self, Model m, ParticleIndex id) -> Cover
5360 __init__(Cover self, _ParticleAdaptor d) -> Cover
5362 _IMP_core.Cover_swiginit(self, _IMP_core.new_Cover(*args))
5364 def show(self, *args):
5365 r"""show(Cover self, _ostream out=std::cout)"""
5366 return _IMP_core.Cover_show(self, *args)
5369 def setup_particle(*args):
5371 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Cover
5372 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Cover
5373 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Cover
5374 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Cover
5376 return _IMP_core.Cover_setup_particle(*args)
5379 def get_is_setup(*args):
5381 get_is_setup(_ParticleAdaptor p) -> bool
5382 get_is_setup(Model m, ParticleIndex pi) -> bool
5384 return _IMP_core.Cover_get_is_setup(*args)
5386 def add_attribute(self, *args):
5388 add_attribute(Cover self, FloatKey k, IMP::Float v, bool opt)
5389 add_attribute(Cover self, FloatKey a0, IMP::Float a1)
5390 add_attribute(Cover self, IntKey a0, IMP::Int a1)
5391 add_attribute(Cover self, FloatsKey a0, IMP::Floats a1)
5392 add_attribute(Cover self, IntsKey a0, IMP::Ints a1)
5393 add_attribute(Cover self, StringKey a0, IMP::String a1)
5394 add_attribute(Cover self, ParticleIndexKey a0, Particle a1)
5395 add_attribute(Cover self, ObjectKey a0, Object a1)
5396 add_attribute(Cover self, SparseFloatKey a0, IMP::Float a1)
5397 add_attribute(Cover self, SparseIntKey a0, IMP::Int a1)
5398 add_attribute(Cover self, SparseStringKey a0, IMP::String a1)
5399 add_attribute(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5401 return _IMP_core.Cover_add_attribute(self, *args)
5403 def get_value(self, *args):
5405 get_value(Cover self, FloatKey a0) -> IMP::Float
5406 get_value(Cover self, IntKey a0) -> IMP::Int
5407 get_value(Cover self, FloatsKey a0) -> IMP::Floats
5408 get_value(Cover self, IntsKey a0) -> IMP::Ints
5409 get_value(Cover self, StringKey a0) -> IMP::String
5410 get_value(Cover self, ParticleIndexKey a0) -> Particle
5411 get_value(Cover self, ObjectKey a0) -> Object
5412 get_value(Cover self, SparseFloatKey a0) -> IMP::Float
5413 get_value(Cover self, SparseIntKey a0) -> IMP::Int
5414 get_value(Cover self, SparseStringKey a0) -> IMP::String
5415 get_value(Cover self, SparseParticleIndexKey a0) -> ParticleIndex
5417 return _IMP_core.Cover_get_value(self, *args)
5419 def set_value(self, *args):
5421 set_value(Cover self, FloatKey a0, IMP::Float a1)
5422 set_value(Cover self, IntKey a0, IMP::Int a1)
5423 set_value(Cover self, FloatsKey a0, IMP::Floats a1)
5424 set_value(Cover self, IntsKey a0, IMP::Ints a1)
5425 set_value(Cover self, StringKey a0, IMP::String a1)
5426 set_value(Cover self, ParticleIndexKey a0, Particle a1)
5427 set_value(Cover self, ObjectKey a0, Object a1)
5428 set_value(Cover self, SparseFloatKey a0, IMP::Float a1)
5429 set_value(Cover self, SparseIntKey a0, IMP::Int a1)
5430 set_value(Cover self, SparseStringKey a0, IMP::String a1)
5431 set_value(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5433 return _IMP_core.Cover_set_value(self, *args)
5435 def remove_attribute(self, *args):
5437 remove_attribute(Cover self, FloatKey a0)
5438 remove_attribute(Cover self, IntKey a0)
5439 remove_attribute(Cover self, FloatsKey a0)
5440 remove_attribute(Cover self, IntsKey a0)
5441 remove_attribute(Cover self, StringKey a0)
5442 remove_attribute(Cover self, ParticleIndexKey a0)
5443 remove_attribute(Cover self, ObjectKey a0)
5444 remove_attribute(Cover self, SparseFloatKey a0)
5445 remove_attribute(Cover self, SparseIntKey a0)
5446 remove_attribute(Cover self, SparseStringKey a0)
5447 remove_attribute(Cover self, SparseParticleIndexKey a0)
5449 return _IMP_core.Cover_remove_attribute(self, *args)
5451 def has_attribute(self, *args):
5453 has_attribute(Cover self, FloatKey a0) -> bool
5454 has_attribute(Cover self, IntKey a0) -> bool
5455 has_attribute(Cover self, FloatsKey a0) -> bool
5456 has_attribute(Cover self, IntsKey a0) -> bool
5457 has_attribute(Cover self, StringKey a0) -> bool
5458 has_attribute(Cover self, ParticleIndexKey a0) -> bool
5459 has_attribute(Cover self, ObjectKey a0) -> bool
5460 has_attribute(Cover self, SparseFloatKey a0) -> bool
5461 has_attribute(Cover self, SparseIntKey a0) -> bool
5462 has_attribute(Cover self, SparseStringKey a0) -> bool
5463 has_attribute(Cover self, SparseParticleIndexKey a0) -> bool
5465 return _IMP_core.Cover_has_attribute(self, *args)
5467 def get_derivative(self, a0):
5468 r"""get_derivative(Cover self, FloatKey a0) -> double"""
5469 return _IMP_core.Cover_get_derivative(self, a0)
5472 r"""get_name(Cover self) -> std::string"""
5473 return _IMP_core.Cover_get_name(self)
5475 def clear_caches(self):
5476 r"""clear_caches(Cover self)"""
5477 return _IMP_core.Cover_clear_caches(self)
5479 def set_name(self, a0):
5480 r"""set_name(Cover self, std::string a0)"""
5481 return _IMP_core.Cover_set_name(self, a0)
5484 r"""set_check_level(Cover self, IMP::CheckLevel a0)"""
5485 return _IMP_core.Cover_set_check_level(self, a0)
5487 def add_to_derivative(self, a0, a1, a2):
5488 r"""add_to_derivative(Cover self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5489 return _IMP_core.Cover_add_to_derivative(self, a0, a1, a2)
5491 def set_is_optimized(self, a0, a1):
5492 r"""set_is_optimized(Cover self, FloatKey a0, bool a1)"""
5493 return _IMP_core.Cover_set_is_optimized(self, a0, a1)
5495 def get_is_optimized(self, a0):
5496 r"""get_is_optimized(Cover self, FloatKey a0) -> bool"""
5497 return _IMP_core.Cover_get_is_optimized(self, a0)
5500 r"""get_check_level(Cover self) -> IMP::CheckLevel"""
5501 return _IMP_core.Cover_get_check_level(self)
5503 def __eq__(self, *args):
5505 __eq__(Cover self, Cover o) -> bool
5506 __eq__(Cover self, Particle d) -> bool
5508 return _IMP_core.Cover___eq__(self, *args)
5510 def __ne__(self, *args):
5512 __ne__(Cover self, Cover o) -> bool
5513 __ne__(Cover self, Particle d) -> bool
5515 return _IMP_core.Cover___ne__(self, *args)
5517 def __le__(self, *args):
5519 __le__(Cover self, Cover o) -> bool
5520 __le__(Cover self, Particle d) -> bool
5522 return _IMP_core.Cover___le__(self, *args)
5524 def __lt__(self, *args):
5526 __lt__(Cover self, Cover o) -> bool
5527 __lt__(Cover self, Particle d) -> bool
5529 return _IMP_core.Cover___lt__(self, *args)
5531 def __ge__(self, *args):
5533 __ge__(Cover self, Cover o) -> bool
5534 __ge__(Cover self, Particle d) -> bool
5536 return _IMP_core.Cover___ge__(self, *args)
5538 def __gt__(self, *args):
5540 __gt__(Cover self, Cover o) -> bool
5541 __gt__(Cover self, Particle d) -> bool
5543 return _IMP_core.Cover___gt__(self, *args)
5546 r"""__hash__(Cover self) -> std::size_t"""
5547 return _IMP_core.Cover___hash__(self)
5550 r"""__str__(Cover self) -> std::string"""
5551 return _IMP_core.Cover___str__(self)
5554 r"""__repr__(Cover self) -> std::string"""
5555 return _IMP_core.Cover___repr__(self)
5557 def _get_as_binary(self):
5558 r"""_get_as_binary(Cover self) -> PyObject *"""
5559 return _IMP_core.Cover__get_as_binary(self)
5561 def _set_from_binary(self, p):
5562 r"""_set_from_binary(Cover self, PyObject * p)"""
5563 return _IMP_core.Cover__set_from_binary(self, p)
5565 def __getstate__(self):
5566 p = self._get_as_binary()
5567 if len(self.__dict__) > 1:
5568 d = self.__dict__.copy()
5573 def __setstate__(self, p):
5574 if not hasattr(self,
'this'):
5576 if isinstance(p, tuple):
5578 self.__dict__.update(d)
5579 return self._set_from_binary(p)
5581 __swig_destroy__ = _IMP_core.delete_Cover
5584 _IMP_core.Cover_swigregister(Cover)
5586 r"""Proxy of C++ IMP::core::DerivativesFromRefined class."""
5588 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5590 def __init__(self, *args):
5591 r"""__init__(DerivativesFromRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesFromRefined"""
5592 _IMP_core.DerivativesFromRefined_swiginit(self, _IMP_core.new_DerivativesFromRefined(*args))
5594 def do_get_inputs(self, m, pis):
5595 r"""do_get_inputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5596 return _IMP_core.DerivativesFromRefined_do_get_inputs(self, m, pis)
5598 def do_get_outputs(self, m, pis):
5599 r"""do_get_outputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5600 return _IMP_core.DerivativesFromRefined_do_get_outputs(self, m, pis)
5602 def get_version_info(self):
5603 r"""get_version_info(DerivativesFromRefined self) -> VersionInfo"""
5604 return _IMP_core.DerivativesFromRefined_get_version_info(self)
5605 __swig_destroy__ = _IMP_core.delete_DerivativesFromRefined
5608 r"""__str__(DerivativesFromRefined self) -> std::string"""
5609 return _IMP_core.DerivativesFromRefined___str__(self)
5612 r"""__repr__(DerivativesFromRefined self) -> std::string"""
5613 return _IMP_core.DerivativesFromRefined___repr__(self)
5617 return _object_cast_to_DerivativesFromRefined(o)
5621 _IMP_core.DerivativesFromRefined_swigregister(DerivativesFromRefined)
5623 r"""Proxy of C++ IMP::core::DerivativesToRefined class."""
5625 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5627 def __init__(self, *args):
5629 __init__(DerivativesToRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesToRefined
5630 __init__(DerivativesToRefined self) -> DerivativesToRefined
5632 _IMP_core.DerivativesToRefined_swiginit(self, _IMP_core.new_DerivativesToRefined(*args))
5634 def do_get_inputs(self, m, pis):
5635 r"""do_get_inputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5636 return _IMP_core.DerivativesToRefined_do_get_inputs(self, m, pis)
5638 def do_get_outputs(self, m, pis):
5639 r"""do_get_outputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5640 return _IMP_core.DerivativesToRefined_do_get_outputs(self, m, pis)
5642 def get_version_info(self):
5643 r"""get_version_info(DerivativesToRefined self) -> VersionInfo"""
5644 return _IMP_core.DerivativesToRefined_get_version_info(self)
5645 __swig_destroy__ = _IMP_core.delete_DerivativesToRefined
5648 r"""__str__(DerivativesToRefined self) -> std::string"""
5649 return _IMP_core.DerivativesToRefined___str__(self)
5652 r"""__repr__(DerivativesToRefined self) -> std::string"""
5653 return _IMP_core.DerivativesToRefined___repr__(self)
5657 return _object_cast_to_DerivativesToRefined(o)
5660 def _get_as_binary(self):
5661 r"""_get_as_binary(DerivativesToRefined self) -> PyObject *"""
5662 return _IMP_core.DerivativesToRefined__get_as_binary(self)
5664 def _set_from_binary(self, p):
5665 r"""_set_from_binary(DerivativesToRefined self, PyObject * p)"""
5666 return _IMP_core.DerivativesToRefined__set_from_binary(self, p)
5668 def __getstate__(self):
5669 p = self._get_as_binary()
5670 if len(self.__dict__) > 1:
5671 d = self.__dict__.copy()
5676 def __setstate__(self, p):
5677 if not hasattr(self,
'this'):
5679 if isinstance(p, tuple):
5681 self.__dict__.update(d)
5682 return self._set_from_binary(p)
5686 _IMP_core.DerivativesToRefined_swigregister(DerivativesToRefined)
5688 r"""Proxy of C++ IMP::core::DiameterRestraint class."""
5690 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5692 def __init__(self, f, sc, diameter):
5693 r"""__init__(DiameterRestraint self, UnaryFunction f, SingletonContainer sc, IMP::Float diameter) -> DiameterRestraint"""
5694 _IMP_core.DiameterRestraint_swiginit(self, _IMP_core.new_DiameterRestraint(f, sc, diameter))
5696 def do_get_inputs(self):
5697 r"""do_get_inputs(DiameterRestraint self) -> IMP::ModelObjectsTemp"""
5698 return _IMP_core.DiameterRestraint_do_get_inputs(self)
5700 def get_version_info(self):
5701 r"""get_version_info(DiameterRestraint self) -> VersionInfo"""
5702 return _IMP_core.DiameterRestraint_get_version_info(self)
5703 __swig_destroy__ = _IMP_core.delete_DiameterRestraint
5705 def do_create_decomposition(self):
5706 r"""do_create_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5707 return _IMP_core.DiameterRestraint_do_create_decomposition(self)
5709 def do_create_current_decomposition(self):
5710 r"""do_create_current_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5711 return _IMP_core.DiameterRestraint_do_create_current_decomposition(self)
5714 r"""__str__(DiameterRestraint self) -> std::string"""
5715 return _IMP_core.DiameterRestraint___str__(self)
5718 r"""__repr__(DiameterRestraint self) -> std::string"""
5719 return _IMP_core.DiameterRestraint___repr__(self)
5723 return _object_cast_to_DiameterRestraint(o)
5727 _IMP_core.DiameterRestraint_swigregister(DiameterRestraint)
5729 r"""Proxy of C++ IMP::core::Transform class."""
5731 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5733 def __init__(self, *args):
5735 __init__(Transform self, Transformation3D t, bool ignore_non_xyz=False) -> Transform
5736 __init__(Transform self) -> Transform
5738 _IMP_core.Transform_swiginit(self, _IMP_core.new_Transform(*args))
5740 def do_get_inputs(self, m, pis):
5741 r"""do_get_inputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5742 return _IMP_core.Transform_do_get_inputs(self, m, pis)
5744 def do_get_outputs(self, m, pis):
5745 r"""do_get_outputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5746 return _IMP_core.Transform_do_get_outputs(self, m, pis)
5748 def get_version_info(self):
5749 r"""get_version_info(Transform self) -> VersionInfo"""
5750 return _IMP_core.Transform_get_version_info(self)
5751 __swig_destroy__ = _IMP_core.delete_Transform
5754 r"""__str__(Transform self) -> std::string"""
5755 return _IMP_core.Transform___str__(self)
5758 r"""__repr__(Transform self) -> std::string"""
5759 return _IMP_core.Transform___repr__(self)
5763 return _object_cast_to_Transform(o)
5766 def _get_as_binary(self):
5767 r"""_get_as_binary(Transform self) -> PyObject *"""
5768 return _IMP_core.Transform__get_as_binary(self)
5770 def _set_from_binary(self, p):
5771 r"""_set_from_binary(Transform self, PyObject * p)"""
5772 return _IMP_core.Transform__set_from_binary(self, p)
5774 def __getstate__(self):
5775 p = self._get_as_binary()
5776 if len(self.__dict__) > 1:
5777 d = self.__dict__.copy()
5782 def __setstate__(self, p):
5783 if not hasattr(self,
'this'):
5785 if isinstance(p, tuple):
5787 self.__dict__.update(d)
5788 return self._set_from_binary(p)
5792 _IMP_core.Transform_swigregister(Transform)
5794 r"""Proxy of C++ IMP::core::Reference class."""
5796 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5798 def __init__(self, *args):
5800 __init__(Reference self) -> Reference
5801 __init__(Reference self, Model m, ParticleIndex id) -> Reference
5802 __init__(Reference self, _ParticleAdaptor d) -> Reference
5804 _IMP_core.Reference_swiginit(self, _IMP_core.new_Reference(*args))
5806 def show(self, *args):
5807 r"""show(Reference self, _ostream out=std::cout)"""
5808 return _IMP_core.Reference_show(self, *args)
5811 def setup_particle(*args):
5813 setup_particle(Model m, ParticleIndex pi, _ParticleIndexAdaptor reference) -> Reference
5814 setup_particle(_ParticleAdaptor pa, _ParticleIndexAdaptor reference) -> Reference
5816 return _IMP_core.Reference_setup_particle(*args)
5818 def get_reference_particle(self):
5819 r"""get_reference_particle(Reference self) -> Particle"""
5820 return _IMP_core.Reference_get_reference_particle(self)
5823 def get_is_setup(*args):
5825 get_is_setup(_ParticleAdaptor p) -> bool
5826 get_is_setup(Model m, ParticleIndex pi) -> bool
5828 return _IMP_core.Reference_get_is_setup(*args)
5831 def get_reference_key():
5832 r"""get_reference_key() -> ParticleIndexKey"""
5833 return _IMP_core.Reference_get_reference_key()
5835 def add_attribute(self, *args):
5837 add_attribute(Reference self, FloatKey k, IMP::Float v, bool opt)
5838 add_attribute(Reference self, FloatKey a0, IMP::Float a1)
5839 add_attribute(Reference self, IntKey a0, IMP::Int a1)
5840 add_attribute(Reference self, FloatsKey a0, IMP::Floats a1)
5841 add_attribute(Reference self, IntsKey a0, IMP::Ints a1)
5842 add_attribute(Reference self, StringKey a0, IMP::String a1)
5843 add_attribute(Reference self, ParticleIndexKey a0, Particle a1)
5844 add_attribute(Reference self, ObjectKey a0, Object a1)
5845 add_attribute(Reference self, SparseFloatKey a0, IMP::Float a1)
5846 add_attribute(Reference self, SparseIntKey a0, IMP::Int a1)
5847 add_attribute(Reference self, SparseStringKey a0, IMP::String a1)
5848 add_attribute(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5850 return _IMP_core.Reference_add_attribute(self, *args)
5852 def get_value(self, *args):
5854 get_value(Reference self, FloatKey a0) -> IMP::Float
5855 get_value(Reference self, IntKey a0) -> IMP::Int
5856 get_value(Reference self, FloatsKey a0) -> IMP::Floats
5857 get_value(Reference self, IntsKey a0) -> IMP::Ints
5858 get_value(Reference self, StringKey a0) -> IMP::String
5859 get_value(Reference self, ParticleIndexKey a0) -> Particle
5860 get_value(Reference self, ObjectKey a0) -> Object
5861 get_value(Reference self, SparseFloatKey a0) -> IMP::Float
5862 get_value(Reference self, SparseIntKey a0) -> IMP::Int
5863 get_value(Reference self, SparseStringKey a0) -> IMP::String
5864 get_value(Reference self, SparseParticleIndexKey a0) -> ParticleIndex
5866 return _IMP_core.Reference_get_value(self, *args)
5868 def set_value(self, *args):
5870 set_value(Reference self, FloatKey a0, IMP::Float a1)
5871 set_value(Reference self, IntKey a0, IMP::Int a1)
5872 set_value(Reference self, FloatsKey a0, IMP::Floats a1)
5873 set_value(Reference self, IntsKey a0, IMP::Ints a1)
5874 set_value(Reference self, StringKey a0, IMP::String a1)
5875 set_value(Reference self, ParticleIndexKey a0, Particle a1)
5876 set_value(Reference self, ObjectKey a0, Object a1)
5877 set_value(Reference self, SparseFloatKey a0, IMP::Float a1)
5878 set_value(Reference self, SparseIntKey a0, IMP::Int a1)
5879 set_value(Reference self, SparseStringKey a0, IMP::String a1)
5880 set_value(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5882 return _IMP_core.Reference_set_value(self, *args)
5884 def remove_attribute(self, *args):
5886 remove_attribute(Reference self, FloatKey a0)
5887 remove_attribute(Reference self, IntKey a0)
5888 remove_attribute(Reference self, FloatsKey a0)
5889 remove_attribute(Reference self, IntsKey a0)
5890 remove_attribute(Reference self, StringKey a0)
5891 remove_attribute(Reference self, ParticleIndexKey a0)
5892 remove_attribute(Reference self, ObjectKey a0)
5893 remove_attribute(Reference self, SparseFloatKey a0)
5894 remove_attribute(Reference self, SparseIntKey a0)
5895 remove_attribute(Reference self, SparseStringKey a0)
5896 remove_attribute(Reference self, SparseParticleIndexKey a0)
5898 return _IMP_core.Reference_remove_attribute(self, *args)
5900 def has_attribute(self, *args):
5902 has_attribute(Reference self, FloatKey a0) -> bool
5903 has_attribute(Reference self, IntKey a0) -> bool
5904 has_attribute(Reference self, FloatsKey a0) -> bool
5905 has_attribute(Reference self, IntsKey a0) -> bool
5906 has_attribute(Reference self, StringKey a0) -> bool
5907 has_attribute(Reference self, ParticleIndexKey a0) -> bool
5908 has_attribute(Reference self, ObjectKey a0) -> bool
5909 has_attribute(Reference self, SparseFloatKey a0) -> bool
5910 has_attribute(Reference self, SparseIntKey a0) -> bool
5911 has_attribute(Reference self, SparseStringKey a0) -> bool
5912 has_attribute(Reference self, SparseParticleIndexKey a0) -> bool
5914 return _IMP_core.Reference_has_attribute(self, *args)
5916 def get_derivative(self, a0):
5917 r"""get_derivative(Reference self, FloatKey a0) -> double"""
5918 return _IMP_core.Reference_get_derivative(self, a0)
5921 r"""get_name(Reference self) -> std::string"""
5922 return _IMP_core.Reference_get_name(self)
5924 def clear_caches(self):
5925 r"""clear_caches(Reference self)"""
5926 return _IMP_core.Reference_clear_caches(self)
5928 def set_name(self, a0):
5929 r"""set_name(Reference self, std::string a0)"""
5930 return _IMP_core.Reference_set_name(self, a0)
5933 r"""set_check_level(Reference self, IMP::CheckLevel a0)"""
5934 return _IMP_core.Reference_set_check_level(self, a0)
5936 def add_to_derivative(self, a0, a1, a2):
5937 r"""add_to_derivative(Reference self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5938 return _IMP_core.Reference_add_to_derivative(self, a0, a1, a2)
5940 def set_is_optimized(self, a0, a1):
5941 r"""set_is_optimized(Reference self, FloatKey a0, bool a1)"""
5942 return _IMP_core.Reference_set_is_optimized(self, a0, a1)
5944 def get_is_optimized(self, a0):
5945 r"""get_is_optimized(Reference self, FloatKey a0) -> bool"""
5946 return _IMP_core.Reference_get_is_optimized(self, a0)
5949 r"""get_check_level(Reference self) -> IMP::CheckLevel"""
5950 return _IMP_core.Reference_get_check_level(self)
5952 def __eq__(self, *args):
5954 __eq__(Reference self, Reference o) -> bool
5955 __eq__(Reference self, Particle d) -> bool
5957 return _IMP_core.Reference___eq__(self, *args)
5959 def __ne__(self, *args):
5961 __ne__(Reference self, Reference o) -> bool
5962 __ne__(Reference self, Particle d) -> bool
5964 return _IMP_core.Reference___ne__(self, *args)
5966 def __le__(self, *args):
5968 __le__(Reference self, Reference o) -> bool
5969 __le__(Reference self, Particle d) -> bool
5971 return _IMP_core.Reference___le__(self, *args)
5973 def __lt__(self, *args):
5975 __lt__(Reference self, Reference o) -> bool
5976 __lt__(Reference self, Particle d) -> bool
5978 return _IMP_core.Reference___lt__(self, *args)
5980 def __ge__(self, *args):
5982 __ge__(Reference self, Reference o) -> bool
5983 __ge__(Reference self, Particle d) -> bool
5985 return _IMP_core.Reference___ge__(self, *args)
5987 def __gt__(self, *args):
5989 __gt__(Reference self, Reference o) -> bool
5990 __gt__(Reference self, Particle d) -> bool
5992 return _IMP_core.Reference___gt__(self, *args)
5995 r"""__hash__(Reference self) -> std::size_t"""
5996 return _IMP_core.Reference___hash__(self)
5999 r"""__str__(Reference self) -> std::string"""
6000 return _IMP_core.Reference___str__(self)
6003 r"""__repr__(Reference self) -> std::string"""
6004 return _IMP_core.Reference___repr__(self)
6006 def _get_as_binary(self):
6007 r"""_get_as_binary(Reference self) -> PyObject *"""
6008 return _IMP_core.Reference__get_as_binary(self)
6010 def _set_from_binary(self, p):
6011 r"""_set_from_binary(Reference self, PyObject * p)"""
6012 return _IMP_core.Reference__set_from_binary(self, p)
6014 def __getstate__(self):
6015 p = self._get_as_binary()
6016 if len(self.__dict__) > 1:
6017 d = self.__dict__.copy()
6022 def __setstate__(self, p):
6023 if not hasattr(self,
'this'):
6025 if isinstance(p, tuple):
6027 self.__dict__.update(d)
6028 return self._set_from_binary(p)
6030 __swig_destroy__ = _IMP_core.delete_Reference
6033 _IMP_core.Reference_swigregister(Reference)
6035 r"""Proxy of C++ IMP::core::TransformationAndReflectionSymmetry class."""
6037 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6039 def __init__(self, t, r):
6040 r"""__init__(TransformationAndReflectionSymmetry self, Transformation3D t, Reflection3D r) -> TransformationAndReflectionSymmetry"""
6041 _IMP_core.TransformationAndReflectionSymmetry_swiginit(self, _IMP_core.new_TransformationAndReflectionSymmetry(t, r))
6043 def do_get_inputs(self, m, pis):
6044 r"""do_get_inputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6045 return _IMP_core.TransformationAndReflectionSymmetry_do_get_inputs(self, m, pis)
6047 def do_get_outputs(self, m, pis):
6048 r"""do_get_outputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6049 return _IMP_core.TransformationAndReflectionSymmetry_do_get_outputs(self, m, pis)
6051 def get_version_info(self):
6052 r"""get_version_info(TransformationAndReflectionSymmetry self) -> VersionInfo"""
6053 return _IMP_core.TransformationAndReflectionSymmetry_get_version_info(self)
6054 __swig_destroy__ = _IMP_core.delete_TransformationAndReflectionSymmetry
6057 r"""__str__(TransformationAndReflectionSymmetry self) -> std::string"""
6058 return _IMP_core.TransformationAndReflectionSymmetry___str__(self)
6061 r"""__repr__(TransformationAndReflectionSymmetry self) -> std::string"""
6062 return _IMP_core.TransformationAndReflectionSymmetry___repr__(self)
6066 return _object_cast_to_TransformationAndReflectionSymmetry(o)
6070 _IMP_core.TransformationAndReflectionSymmetry_swigregister(TransformationAndReflectionSymmetry)
6072 r"""Proxy of C++ IMP::core::TransformationSymmetry class."""
6074 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6076 def __init__(self, *args):
6078 __init__(TransformationSymmetry self, Transformation3D t) -> TransformationSymmetry
6079 __init__(TransformationSymmetry self, ParticleIndex rb_pi) -> TransformationSymmetry
6081 _IMP_core.TransformationSymmetry_swiginit(self, _IMP_core.new_TransformationSymmetry(*args))
6083 def get_transformation(self):
6084 r"""get_transformation(TransformationSymmetry self) -> Transformation3D"""
6085 return _IMP_core.TransformationSymmetry_get_transformation(self)
6087 def set_transformation(self, t):
6088 r"""set_transformation(TransformationSymmetry self, Transformation3D t)"""
6089 return _IMP_core.TransformationSymmetry_set_transformation(self, t)
6091 def do_get_inputs(self, m, pis):
6092 r"""do_get_inputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6093 return _IMP_core.TransformationSymmetry_do_get_inputs(self, m, pis)
6095 def do_get_outputs(self, m, pis):
6096 r"""do_get_outputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6097 return _IMP_core.TransformationSymmetry_do_get_outputs(self, m, pis)
6099 def get_version_info(self):
6100 r"""get_version_info(TransformationSymmetry self) -> VersionInfo"""
6101 return _IMP_core.TransformationSymmetry_get_version_info(self)
6102 __swig_destroy__ = _IMP_core.delete_TransformationSymmetry
6105 r"""__str__(TransformationSymmetry self) -> std::string"""
6106 return _IMP_core.TransformationSymmetry___str__(self)
6109 r"""__repr__(TransformationSymmetry self) -> std::string"""
6110 return _IMP_core.TransformationSymmetry___repr__(self)
6114 return _object_cast_to_TransformationSymmetry(o)
6118 _IMP_core.TransformationSymmetry_swigregister(TransformationSymmetry)
6119 class TransformationSymmetryMover(MonteCarloMover):
6120 r"""Proxy of C++ IMP::core::TransformationSymmetryMover class."""
6122 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6124 def __init__(self, m, symm, pivot, max_translation, max_rotation):
6125 r"""__init__(TransformationSymmetryMover self, Model m, TransformationSymmetry symm, ParticleIndex pivot, IMP::Float max_translation, IMP::Float max_rotation) -> TransformationSymmetryMover"""
6126 _IMP_core.TransformationSymmetryMover_swiginit(self, _IMP_core.new_TransformationSymmetryMover(m, symm, pivot, max_translation, max_rotation))
6128 def set_maximum_translation(self, mt):
6129 r"""set_maximum_translation(TransformationSymmetryMover self, IMP::Float mt)"""
6130 return _IMP_core.TransformationSymmetryMover_set_maximum_translation(self, mt)
6132 def set_maximum_rotation(self, mr):
6133 r"""set_maximum_rotation(TransformationSymmetryMover self, IMP::Float mr)"""
6134 return _IMP_core.TransformationSymmetryMover_set_maximum_rotation(self, mr)
6136 def get_maximum_translation(self):
6137 r"""get_maximum_translation(TransformationSymmetryMover self) -> IMP::Float"""
6138 return _IMP_core.TransformationSymmetryMover_get_maximum_translation(self)
6140 def get_maximum_rotation(self):
6141 r"""get_maximum_rotation(TransformationSymmetryMover self) -> IMP::Float"""
6142 return _IMP_core.TransformationSymmetryMover_get_maximum_rotation(self)
6144 def get_version_info(self):
6145 r"""get_version_info(TransformationSymmetryMover self) -> VersionInfo"""
6146 return _IMP_core.TransformationSymmetryMover_get_version_info(self)
6147 __swig_destroy__ = _IMP_core.delete_TransformationSymmetryMover
6150 r"""__str__(TransformationSymmetryMover self) -> std::string"""
6151 return _IMP_core.TransformationSymmetryMover___str__(self)
6154 r"""__repr__(TransformationSymmetryMover self) -> std::string"""
6155 return _IMP_core.TransformationSymmetryMover___repr__(self)
6159 return _object_cast_to_TransformationSymmetryMover(o)
6163 _IMP_core.TransformationSymmetryMover_swigregister(TransformationSymmetryMover)
6165 r"""Proxy of C++ IMP::core::DistancePairScore class."""
6167 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6169 def __init__(self, *args):
6171 __init__(DistancePairScore self, UnaryFunction uf, std::string name="DistancePairScore%1%") -> DistancePairScore
6172 __init__(DistancePairScore self) -> DistancePairScore
6174 _IMP_core.DistancePairScore_swiginit(self, _IMP_core.new_DistancePairScore(*args))
6176 def do_get_inputs(self, m, pis):
6177 r"""do_get_inputs(DistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6178 return _IMP_core.DistancePairScore_do_get_inputs(self, m, pis)
6180 def get_score_functor(self, *args):
6182 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
6183 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
6185 return _IMP_core.DistancePairScore_get_score_functor(self, *args)
6187 def get_version_info(self):
6188 r"""get_version_info(DistancePairScore self) -> VersionInfo"""
6189 return _IMP_core.DistancePairScore_get_version_info(self)
6190 __swig_destroy__ = _IMP_core.delete_DistancePairScore
6193 r"""__str__(DistancePairScore self) -> std::string"""
6194 return _IMP_core.DistancePairScore___str__(self)
6197 r"""__repr__(DistancePairScore self) -> std::string"""
6198 return _IMP_core.DistancePairScore___repr__(self)
6202 return _object_cast_to_DistancePairScore(o)
6205 def _get_as_binary(self):
6206 r"""_get_as_binary(DistancePairScore self) -> PyObject *"""
6207 return _IMP_core.DistancePairScore__get_as_binary(self)
6209 def _set_from_binary(self, p):
6210 r"""_set_from_binary(DistancePairScore self, PyObject * p)"""
6211 return _IMP_core.DistancePairScore__set_from_binary(self, p)
6213 def __getstate__(self):
6214 p = self._get_as_binary()
6215 if len(self.__dict__) > 1:
6216 d = self.__dict__.copy()
6221 def __setstate__(self, p):
6222 if not hasattr(self,
'this'):
6224 if isinstance(p, tuple):
6226 self.__dict__.update(d)
6227 return self._set_from_binary(p)
6230 def _get_jax(self, m, indexes, space):
6231 import jax.numpy
as jnp
6232 def jax_score(jm, uf):
6233 xyzs = jm[
'xyz'][indexes]
6234 diff = xyzs[:,0] - xyzs[:,1]
6235 drs = space.distance(diff)
6237 sfnc = self.get_score_functor()
6238 uf = sfnc.get_unary_function().get_derived_object()
6239 f = functools.partial(jax_score, uf=uf._get_jax())
6240 return self._wrap_jax(m, f)
6244 _IMP_core.DistancePairScore_swigregister(DistancePairScore)
6246 r"""Proxy of C++ IMP::core::HarmonicDistancePairScore class."""
6248 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6250 def __init__(self, *args):
6252 __init__(HarmonicDistancePairScore self, double x0, double k, std::string name="HarmonicDistancePairScore%1%") -> HarmonicDistancePairScore
6253 __init__(HarmonicDistancePairScore self) -> HarmonicDistancePairScore
6255 _IMP_core.HarmonicDistancePairScore_swiginit(self, _IMP_core.new_HarmonicDistancePairScore(*args))
6257 def do_get_inputs(self, m, pis):
6258 r"""do_get_inputs(HarmonicDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6259 return _IMP_core.HarmonicDistancePairScore_do_get_inputs(self, m, pis)
6261 def get_score_functor(self, *args):
6263 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore
6264 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore const &
6266 return _IMP_core.HarmonicDistancePairScore_get_score_functor(self, *args)
6269 r"""get_x0(HarmonicDistancePairScore self) -> double"""
6270 return _IMP_core.HarmonicDistancePairScore_get_x0(self)
6273 r"""get_k(HarmonicDistancePairScore self) -> double"""
6274 return _IMP_core.HarmonicDistancePairScore_get_k(self)
6276 def get_version_info(self):
6277 r"""get_version_info(HarmonicDistancePairScore self) -> VersionInfo"""
6278 return _IMP_core.HarmonicDistancePairScore_get_version_info(self)
6279 __swig_destroy__ = _IMP_core.delete_HarmonicDistancePairScore
6282 r"""__str__(HarmonicDistancePairScore self) -> std::string"""
6283 return _IMP_core.HarmonicDistancePairScore___str__(self)
6286 r"""__repr__(HarmonicDistancePairScore self) -> std::string"""
6287 return _IMP_core.HarmonicDistancePairScore___repr__(self)
6291 return _object_cast_to_HarmonicDistancePairScore(o)
6294 def _get_as_binary(self):
6295 r"""_get_as_binary(HarmonicDistancePairScore self) -> PyObject *"""
6296 return _IMP_core.HarmonicDistancePairScore__get_as_binary(self)
6298 def _set_from_binary(self, p):
6299 r"""_set_from_binary(HarmonicDistancePairScore self, PyObject * p)"""
6300 return _IMP_core.HarmonicDistancePairScore__set_from_binary(self, p)
6302 def __getstate__(self):
6303 p = self._get_as_binary()
6304 if len(self.__dict__) > 1:
6305 d = self.__dict__.copy()
6310 def __setstate__(self, p):
6311 if not hasattr(self,
'this'):
6313 if isinstance(p, tuple):
6315 self.__dict__.update(d)
6316 return self._set_from_binary(p)
6319 def _get_jax(self, m, indexes, space):
6320 import jax.numpy
as jnp
6321 def jax_harmonic_distance_pair_score(jm, d, k):
6322 xyzs = jm[
'xyz'][indexes]
6323 diff = xyzs[:,0] - xyzs[:,1]
6324 drs = space.distance(diff)
6325 return 0.5 * k * (d - drs)**2
6326 f = functools.partial(jax_harmonic_distance_pair_score,
6327 d=self.get_x0(), k=self.get_k())
6328 return self._wrap_jax(m, f)
6332 _IMP_core.HarmonicDistancePairScore_swigregister(HarmonicDistancePairScore)
6334 r"""Proxy of C++ IMP::core::DistanceRestraint class."""
6336 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6338 def __init__(self, *args):
6340 __init__(DistanceRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor a, _ParticleIndexAdaptor b, std::string name="DistanceRestraint %1%") -> DistanceRestraint
6341 __init__(DistanceRestraint self) -> DistanceRestraint
6343 _IMP_core.DistanceRestraint_swiginit(self, _IMP_core.new_DistanceRestraint(*args))
6345 def get_score_object(self):
6346 r"""get_score_object(DistanceRestraint self) -> DistancePairScore"""
6347 return _IMP_core.DistanceRestraint_get_score_object(self)
6350 r"""get_index(DistanceRestraint self) -> IMP::core::DistancePairScore::IndexArgument"""
6351 return _IMP_core.DistanceRestraint_get_index(self)
6353 def get_version_info(self):
6354 r"""get_version_info(DistanceRestraint self) -> VersionInfo"""
6355 return _IMP_core.DistanceRestraint_get_version_info(self)
6356 __swig_destroy__ = _IMP_core.delete_DistanceRestraint
6359 r"""__str__(DistanceRestraint self) -> std::string"""
6360 return _IMP_core.DistanceRestraint___str__(self)
6363 r"""__repr__(DistanceRestraint self) -> std::string"""
6364 return _IMP_core.DistanceRestraint___repr__(self)
6368 return _object_cast_to_DistanceRestraint(o)
6371 def _get_as_binary(self):
6372 r"""_get_as_binary(DistanceRestraint self) -> PyObject *"""
6373 return _IMP_core.DistanceRestraint__get_as_binary(self)
6375 def _set_from_binary(self, p):
6376 r"""_set_from_binary(DistanceRestraint self, PyObject * p)"""
6377 return _IMP_core.DistanceRestraint__set_from_binary(self, p)
6379 def __getstate__(self):
6380 p = self._get_as_binary()
6381 if len(self.__dict__) > 1:
6382 d = self.__dict__.copy()
6387 def __setstate__(self, p):
6388 if not hasattr(self,
'this'):
6390 if isinstance(p, tuple):
6392 self.__dict__.update(d)
6393 return self._set_from_binary(p)
6396 def _get_jax(self, space):
6397 import jax.numpy
as jnp
6398 import IMP._jax_util
6399 ps = self.get_score_object()
6400 indexes = jnp.array([self.get_index()])
6401 ji = ps._get_jax(self.get_model(), indexes, space=space)
6403 return jnp.sum(ji.score_func(jm), axis=-1)
6404 return self._wrap_jax(score)
6408 _IMP_core.DistanceRestraint_swigregister(DistanceRestraint)
6410 r"""Proxy of C++ IMP::core::SphereDistanceToSingletonScore class."""
6412 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6414 def __init__(self, f, pt):
6415 r"""__init__(SphereDistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> SphereDistanceToSingletonScore"""
6416 _IMP_core.SphereDistanceToSingletonScore_swiginit(self, _IMP_core.new_SphereDistanceToSingletonScore(f, pt))
6418 def do_get_inputs(self, m, pis):
6419 r"""do_get_inputs(SphereDistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6420 return _IMP_core.SphereDistanceToSingletonScore_do_get_inputs(self, m, pis)
6422 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
6423 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"""
6424 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
6426 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
6427 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"""
6428 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
6430 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
6431 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"""
6432 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
6434 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
6435 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"""
6436 return _IMP_core.SphereDistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
6438 def get_version_info(self):
6439 r"""get_version_info(SphereDistanceToSingletonScore self) -> VersionInfo"""
6440 return _IMP_core.SphereDistanceToSingletonScore_get_version_info(self)
6441 __swig_destroy__ = _IMP_core.delete_SphereDistanceToSingletonScore
6444 r"""__str__(SphereDistanceToSingletonScore self) -> std::string"""
6445 return _IMP_core.SphereDistanceToSingletonScore___str__(self)
6448 r"""__repr__(SphereDistanceToSingletonScore self) -> std::string"""
6449 return _IMP_core.SphereDistanceToSingletonScore___repr__(self)
6453 return _object_cast_to_SphereDistanceToSingletonScore(o)
6457 _IMP_core.SphereDistanceToSingletonScore_swigregister(SphereDistanceToSingletonScore)
6459 r"""Proxy of C++ IMP::core::ExcludedVolumeRestraint class."""
6461 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6463 def __init__(self, *args):
6464 r"""__init__(ExcludedVolumeRestraint self, _SingletonContainerAdaptor sc, double k=1, double slack=10, std::string name="ExcludedVolumeRestraint%1%") -> ExcludedVolumeRestraint"""
6465 _IMP_core.ExcludedVolumeRestraint_swiginit(self, _IMP_core.new_ExcludedVolumeRestraint(*args))
6467 def do_get_inputs(self):
6468 r"""do_get_inputs(ExcludedVolumeRestraint self) -> IMP::ModelObjectsTemp"""
6469 return _IMP_core.ExcludedVolumeRestraint_do_get_inputs(self)
6471 def get_version_info(self):
6472 r"""get_version_info(ExcludedVolumeRestraint self) -> VersionInfo"""
6473 return _IMP_core.ExcludedVolumeRestraint_get_version_info(self)
6474 __swig_destroy__ = _IMP_core.delete_ExcludedVolumeRestraint
6476 def do_create_decomposition(self):
6477 r"""do_create_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6478 return _IMP_core.ExcludedVolumeRestraint_do_create_decomposition(self)
6480 def do_create_current_decomposition(self):
6481 r"""do_create_current_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6482 return _IMP_core.ExcludedVolumeRestraint_do_create_current_decomposition(self)
6485 r"""get_indexes(ExcludedVolumeRestraint self) -> IMP::ParticleIndexPairs const &"""
6486 return _IMP_core.ExcludedVolumeRestraint_get_indexes(self)
6487 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)
6488 def __set_pair_filters(self, obj): IMP._list_util.set_varlist(self.pair_filters, obj)
6489 def __del_pair_filters(self): IMP._list_util.del_varlist(self.pair_filters)
6490 pair_filters = property(__get_pair_filters, __set_pair_filters, __del_pair_filters, doc=
"List of ##ucnames")
6492 def remove_pair_filter(self, d):
6493 r"""remove_pair_filter(ExcludedVolumeRestraint self, PairPredicate d)"""
6494 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filter(self, d)
6496 def _python_index_pair_filter(self, d, start, stop):
6497 r"""_python_index_pair_filter(ExcludedVolumeRestraint self, PairPredicate d, unsigned int start, unsigned int stop) -> unsigned int"""
6498 return _IMP_core.ExcludedVolumeRestraint__python_index_pair_filter(self, d, start, stop)
6500 def remove_pair_filters(self, d):
6501 r"""remove_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & d)"""
6502 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filters(self, d)
6504 def set_pair_filters(self, ps):
6505 r"""set_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & ps)"""
6506 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters(self, ps)
6508 def set_pair_filters_order(self, objs):
6509 r"""set_pair_filters_order(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6510 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters_order(self, objs)
6512 def add_pair_filter(self, obj):
6513 r"""add_pair_filter(ExcludedVolumeRestraint self, PairPredicate obj) -> unsigned int"""
6514 return _IMP_core.ExcludedVolumeRestraint_add_pair_filter(self, obj)
6516 def add_pair_filters(self, objs):
6517 r"""add_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6518 return _IMP_core.ExcludedVolumeRestraint_add_pair_filters(self, objs)
6520 def clear_pair_filters(self):
6521 r"""clear_pair_filters(ExcludedVolumeRestraint self)"""
6522 return _IMP_core.ExcludedVolumeRestraint_clear_pair_filters(self)
6524 def get_number_of_pair_filters(self):
6525 r"""get_number_of_pair_filters(ExcludedVolumeRestraint self) -> unsigned int"""
6526 return _IMP_core.ExcludedVolumeRestraint_get_number_of_pair_filters(self)
6528 def get_has_pair_filters(self):
6529 r"""get_has_pair_filters(ExcludedVolumeRestraint self) -> bool"""
6530 return _IMP_core.ExcludedVolumeRestraint_get_has_pair_filters(self)
6532 def get_pair_filter(self, i):
6533 r"""get_pair_filter(ExcludedVolumeRestraint self, unsigned int i) -> PairPredicate"""
6534 return _IMP_core.ExcludedVolumeRestraint_get_pair_filter(self, i)
6536 def get_pair_filters(self):
6537 r"""get_pair_filters(ExcludedVolumeRestraint self) -> IMP::PairPredicates"""
6538 return _IMP_core.ExcludedVolumeRestraint_get_pair_filters(self)
6540 def erase_pair_filter(self, i):
6541 r"""erase_pair_filter(ExcludedVolumeRestraint self, unsigned int i)"""
6542 return _IMP_core.ExcludedVolumeRestraint_erase_pair_filter(self, i)
6544 def reserve_pair_filters(self, sz):
6545 r"""reserve_pair_filters(ExcludedVolumeRestraint self, unsigned int sz)"""
6546 return _IMP_core.ExcludedVolumeRestraint_reserve_pair_filters(self, sz)
6549 r"""__str__(ExcludedVolumeRestraint self) -> std::string"""
6550 return _IMP_core.ExcludedVolumeRestraint___str__(self)
6553 r"""__repr__(ExcludedVolumeRestraint self) -> std::string"""
6554 return _IMP_core.ExcludedVolumeRestraint___repr__(self)
6558 return _object_cast_to_ExcludedVolumeRestraint(o)
6562 _IMP_core.ExcludedVolumeRestraint_swigregister(ExcludedVolumeRestraint)
6564 r"""Proxy of C++ IMP::core::FixedRefiner class."""
6566 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6568 def __init__(self, *args):
6570 __init__(FixedRefiner self, IMP::ParticlesTemp const & ps) -> FixedRefiner
6571 __init__(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> FixedRefiner
6572 __init__(FixedRefiner self) -> FixedRefiner
6574 _IMP_core.FixedRefiner_swiginit(self, _IMP_core.new_FixedRefiner(*args))
6576 def do_get_inputs(self, m, pis):
6577 r"""do_get_inputs(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6578 return _IMP_core.FixedRefiner_do_get_inputs(self, m, pis)
6580 def get_version_info(self):
6581 r"""get_version_info(FixedRefiner self) -> VersionInfo"""
6582 return _IMP_core.FixedRefiner_get_version_info(self)
6583 __swig_destroy__ = _IMP_core.delete_FixedRefiner
6586 r"""__str__(FixedRefiner self) -> std::string"""
6587 return _IMP_core.FixedRefiner___str__(self)
6590 r"""__repr__(FixedRefiner self) -> std::string"""
6591 return _IMP_core.FixedRefiner___repr__(self)
6595 return _object_cast_to_FixedRefiner(o)
6598 def _get_as_binary(self):
6599 r"""_get_as_binary(FixedRefiner self) -> PyObject *"""
6600 return _IMP_core.FixedRefiner__get_as_binary(self)
6602 def _set_from_binary(self, p):
6603 r"""_set_from_binary(FixedRefiner self, PyObject * p)"""
6604 return _IMP_core.FixedRefiner__set_from_binary(self, p)
6606 def __getstate__(self):
6607 p = self._get_as_binary()
6608 if len(self.__dict__) > 1:
6609 d = self.__dict__.copy()
6614 def __setstate__(self, p):
6615 if not hasattr(self,
'this'):
6617 if isinstance(p, tuple):
6619 self.__dict__.update(d)
6620 return self._set_from_binary(p)
6624 _IMP_core.FixedRefiner_swigregister(FixedRefiner)
6625 class GridClosePairsFinder(ClosePairsFinder):
6626 r"""Proxy of C++ IMP::core::GridClosePairsFinder class."""
6628 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6631 r"""__init__(GridClosePairsFinder self) -> GridClosePairsFinder"""
6632 _IMP_core.GridClosePairsFinder_swiginit(self, _IMP_core.new_GridClosePairsFinder())
6634 def get_close_pairs(self, *args):
6636 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6637 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6638 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
6639 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
6641 return _IMP_core.GridClosePairsFinder_get_close_pairs(self, *args)
6643 def do_get_inputs(self, m, pis):
6644 r"""do_get_inputs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6645 return _IMP_core.GridClosePairsFinder_do_get_inputs(self, m, pis)
6647 def get_version_info(self):
6648 r"""get_version_info(GridClosePairsFinder self) -> VersionInfo"""
6649 return _IMP_core.GridClosePairsFinder_get_version_info(self)
6650 __swig_destroy__ = _IMP_core.delete_GridClosePairsFinder
6653 r"""__str__(GridClosePairsFinder self) -> std::string"""
6654 return _IMP_core.GridClosePairsFinder___str__(self)
6657 r"""__repr__(GridClosePairsFinder self) -> std::string"""
6658 return _IMP_core.GridClosePairsFinder___repr__(self)
6662 return _object_cast_to_GridClosePairsFinder(o)
6665 def _get_as_binary(self):
6666 r"""_get_as_binary(GridClosePairsFinder self) -> PyObject *"""
6667 return _IMP_core.GridClosePairsFinder__get_as_binary(self)
6669 def _set_from_binary(self, p):
6670 r"""_set_from_binary(GridClosePairsFinder self, PyObject * p)"""
6671 return _IMP_core.GridClosePairsFinder__set_from_binary(self, p)
6673 def __getstate__(self):
6674 p = self._get_as_binary()
6675 if len(self.__dict__) > 1:
6676 d = self.__dict__.copy()
6681 def __setstate__(self, p):
6682 if not hasattr(self,
'this'):
6684 if isinstance(p, tuple):
6686 self.__dict__.update(d)
6687 return self._set_from_binary(p)
6691 _IMP_core.GridClosePairsFinder_swigregister(GridClosePairsFinder)
6693 r"""Proxy of C++ IMP::core::Harmonic class."""
6695 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6697 def __init__(self, *args):
6699 __init__(Harmonic self, IMP::Float mean, IMP::Float k) -> Harmonic
6700 __init__(Harmonic self) -> Harmonic
6702 _IMP_core.Harmonic_swiginit(self, _IMP_core.new_Harmonic(*args))
6704 def get_version_info(self):
6705 r"""get_version_info(Harmonic self) -> VersionInfo"""
6706 return _IMP_core.Harmonic_get_version_info(self)
6707 __swig_destroy__ = _IMP_core.delete_Harmonic
6710 r"""get_mean(Harmonic self) -> IMP::Float"""
6711 return _IMP_core.Harmonic_get_mean(self)
6714 r"""get_k(Harmonic self) -> IMP::Float"""
6715 return _IMP_core.Harmonic_get_k(self)
6717 def set_mean(self, mean):
6718 r"""set_mean(Harmonic self, IMP::Float mean)"""
6719 return _IMP_core.Harmonic_set_mean(self, mean)
6722 r"""set_k(Harmonic self, IMP::Float k)"""
6723 return _IMP_core.Harmonic_set_k(self, k)
6726 def get_k_from_standard_deviation(sd, t=297.15):
6727 r"""get_k_from_standard_deviation(IMP::Float sd, IMP::Float t=297.15) -> IMP::Float"""
6728 return _IMP_core.Harmonic_get_k_from_standard_deviation(sd, t)
6731 r"""__str__(Harmonic self) -> std::string"""
6732 return _IMP_core.Harmonic___str__(self)
6735 r"""__repr__(Harmonic self) -> std::string"""
6736 return _IMP_core.Harmonic___repr__(self)
6740 return _object_cast_to_Harmonic(o)
6743 def _get_as_binary(self):
6744 r"""_get_as_binary(Harmonic self) -> PyObject *"""
6745 return _IMP_core.Harmonic__get_as_binary(self)
6747 def _set_from_binary(self, p):
6748 r"""_set_from_binary(Harmonic self, PyObject * p)"""
6749 return _IMP_core.Harmonic__set_from_binary(self, p)
6751 def __getstate__(self):
6752 p = self._get_as_binary()
6753 if len(self.__dict__) > 1:
6754 d = self.__dict__.copy()
6759 def __setstate__(self, p):
6760 if not hasattr(self,
'this'):
6762 if isinstance(p, tuple):
6764 self.__dict__.update(d)
6765 return self._set_from_binary(p)
6769 def score(val, mean, k):
6770 return 0.5 * k * (mean - val) ** 2
6771 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6775 _IMP_core.Harmonic_swigregister(Harmonic)
6777 r"""Proxy of C++ IMP::core::HarmonicWell class."""
6779 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6781 def __init__(self, well, k):
6782 r"""__init__(HarmonicWell self, IMP::FloatRange const & well, double k) -> HarmonicWell"""
6783 _IMP_core.HarmonicWell_swiginit(self, _IMP_core.new_HarmonicWell(well, k))
6786 r"""get_well(HarmonicWell self) -> IMP::FloatRange"""
6787 return _IMP_core.HarmonicWell_get_well(self)
6790 r"""get_k(HarmonicWell self) -> double"""
6791 return _IMP_core.HarmonicWell_get_k(self)
6793 def get_version_info(self):
6794 r"""get_version_info(HarmonicWell self) -> VersionInfo"""
6795 return _IMP_core.HarmonicWell_get_version_info(self)
6796 __swig_destroy__ = _IMP_core.delete_HarmonicWell
6799 r"""__str__(HarmonicWell self) -> std::string"""
6800 return _IMP_core.HarmonicWell___str__(self)
6803 r"""__repr__(HarmonicWell self) -> std::string"""
6804 return _IMP_core.HarmonicWell___repr__(self)
6808 return _object_cast_to_HarmonicWell(o)
6812 import jax.numpy
as jnp
6813 def score(val, lb, ub, k):
6814 return 0.5 * k * (val - jnp.clip(val, lb, ub)) ** 2
6815 well = self.get_well()
6816 return functools.partial(score, lb=well[0], ub=well[1], k=self.get_k())
6820 _IMP_core.HarmonicWell_swigregister(HarmonicWell)
6821 class HarmonicLowerBound(Harmonic):
6822 r"""Proxy of C++ IMP::core::HarmonicLowerBound class."""
6824 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6826 def __init__(self, *args):
6828 __init__(HarmonicLowerBound self, IMP::Float mean, IMP::Float k) -> HarmonicLowerBound
6829 __init__(HarmonicLowerBound self) -> HarmonicLowerBound
6831 _IMP_core.HarmonicLowerBound_swiginit(self, _IMP_core.new_HarmonicLowerBound(*args))
6832 __swig_destroy__ = _IMP_core.delete_HarmonicLowerBound
6835 r"""__str__(HarmonicLowerBound self) -> std::string"""
6836 return _IMP_core.HarmonicLowerBound___str__(self)
6839 r"""__repr__(HarmonicLowerBound self) -> std::string"""
6840 return _IMP_core.HarmonicLowerBound___repr__(self)
6844 return _object_cast_to_HarmonicLowerBound(o)
6847 def _get_as_binary(self):
6848 r"""_get_as_binary(HarmonicLowerBound self) -> PyObject *"""
6849 return _IMP_core.HarmonicLowerBound__get_as_binary(self)
6851 def _set_from_binary(self, p):
6852 r"""_set_from_binary(HarmonicLowerBound self, PyObject * p)"""
6853 return _IMP_core.HarmonicLowerBound__set_from_binary(self, p)
6855 def __getstate__(self):
6856 p = self._get_as_binary()
6857 if len(self.__dict__) > 1:
6858 d = self.__dict__.copy()
6863 def __setstate__(self, p):
6864 if not hasattr(self,
'this'):
6866 if isinstance(p, tuple):
6868 self.__dict__.update(d)
6869 return self._set_from_binary(p)
6874 def score(val, mean, k):
6875 return 0.5 * k * jax.lax.max(mean - val, 0.0) ** 2
6876 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6880 _IMP_core.HarmonicLowerBound_swigregister(HarmonicLowerBound)
6881 class HarmonicUpperBound(Harmonic):
6882 r"""Proxy of C++ IMP::core::HarmonicUpperBound class."""
6884 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6886 def __init__(self, *args):
6888 __init__(HarmonicUpperBound self, IMP::Float mean, IMP::Float k) -> HarmonicUpperBound
6889 __init__(HarmonicUpperBound self) -> HarmonicUpperBound
6891 _IMP_core.HarmonicUpperBound_swiginit(self, _IMP_core.new_HarmonicUpperBound(*args))
6892 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBound
6895 r"""__str__(HarmonicUpperBound self) -> std::string"""
6896 return _IMP_core.HarmonicUpperBound___str__(self)
6899 r"""__repr__(HarmonicUpperBound self) -> std::string"""
6900 return _IMP_core.HarmonicUpperBound___repr__(self)
6904 return _object_cast_to_HarmonicUpperBound(o)
6907 def _get_as_binary(self):
6908 r"""_get_as_binary(HarmonicUpperBound self) -> PyObject *"""
6909 return _IMP_core.HarmonicUpperBound__get_as_binary(self)
6911 def _set_from_binary(self, p):
6912 r"""_set_from_binary(HarmonicUpperBound self, PyObject * p)"""
6913 return _IMP_core.HarmonicUpperBound__set_from_binary(self, p)
6915 def __getstate__(self):
6916 p = self._get_as_binary()
6917 if len(self.__dict__) > 1:
6918 d = self.__dict__.copy()
6923 def __setstate__(self, p):
6924 if not hasattr(self,
'this'):
6926 if isinstance(p, tuple):
6928 self.__dict__.update(d)
6929 return self._set_from_binary(p)
6934 def score(val, mean, k):
6935 return 0.5 * k * jax.lax.min(mean - val, 0.0) ** 2
6936 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6940 _IMP_core.HarmonicUpperBound_swigregister(HarmonicUpperBound)
6942 r"""Proxy of C++ IMP::core::WeightedSum class."""
6944 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6946 def __init__(self, funcs, weights):
6947 r"""__init__(WeightedSum self, IMP::UnaryFunctions funcs, IMP::Floats weights) -> WeightedSum"""
6948 _IMP_core.WeightedSum_swiginit(self, _IMP_core.new_WeightedSum(funcs, weights))
6950 def get_function_number(self):
6951 r"""get_function_number(WeightedSum self) -> unsigned int"""
6952 return _IMP_core.WeightedSum_get_function_number(self)
6954 def set_weights(self, weights):
6955 r"""set_weights(WeightedSum self, IMP::Floats weights)"""
6956 return _IMP_core.WeightedSum_set_weights(self, weights)
6958 def get_weights(self):
6959 r"""get_weights(WeightedSum self) -> IMP::Floats"""
6960 return _IMP_core.WeightedSum_get_weights(self)
6962 def get_weight(self, i):
6963 r"""get_weight(WeightedSum self, unsigned int i) -> double"""
6964 return _IMP_core.WeightedSum_get_weight(self, i)
6966 def get_function(self, i):
6967 r"""get_function(WeightedSum self, unsigned int i) -> UnaryFunction"""
6968 return _IMP_core.WeightedSum_get_function(self, i)
6970 def get_version_info(self):
6971 r"""get_version_info(WeightedSum self) -> VersionInfo"""
6972 return _IMP_core.WeightedSum_get_version_info(self)
6973 __swig_destroy__ = _IMP_core.delete_WeightedSum
6976 r"""__str__(WeightedSum self) -> std::string"""
6977 return _IMP_core.WeightedSum___str__(self)
6980 r"""__repr__(WeightedSum self) -> std::string"""
6981 return _IMP_core.WeightedSum___repr__(self)
6985 return _object_cast_to_WeightedSum(o)
6989 import jax.numpy
as jnp
6990 def score(val, funcs, weights):
6991 return sum(f(val) * weight
for (f, weight)
in zip(funcs, weights))
6992 nfunc = self.get_function_number()
6993 funcs = [self.get_function(i).get_derived_object()._get_jax()
6994 for i
in range(nfunc)]
6995 return functools.partial(score, funcs=funcs,
6996 weights=self.get_weights())
7000 _IMP_core.WeightedSum_swigregister(WeightedSum)
7002 r"""Proxy of C++ IMP::core::WeightedSumOfExponential class."""
7004 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7006 def __init__(self, funcs, weights, denom=1.0):
7007 r"""__init__(WeightedSumOfExponential self, IMP::UnaryFunctions funcs, IMP::Floats weights, IMP::Float denom=1.0) -> WeightedSumOfExponential"""
7008 _IMP_core.WeightedSumOfExponential_swiginit(self, _IMP_core.new_WeightedSumOfExponential(funcs, weights, denom))
7010 def get_function_number(self):
7011 r"""get_function_number(WeightedSumOfExponential self) -> unsigned int"""
7012 return _IMP_core.WeightedSumOfExponential_get_function_number(self)
7014 def set_weights(self, weights):
7015 r"""set_weights(WeightedSumOfExponential self, IMP::Floats weights)"""
7016 return _IMP_core.WeightedSumOfExponential_set_weights(self, weights)
7018 def get_weights(self):
7019 r"""get_weights(WeightedSumOfExponential self) -> IMP::Floats"""
7020 return _IMP_core.WeightedSumOfExponential_get_weights(self)
7022 def get_weight(self, i):
7023 r"""get_weight(WeightedSumOfExponential self, unsigned int i) -> double"""
7024 return _IMP_core.WeightedSumOfExponential_get_weight(self, i)
7026 def get_function(self, i):
7027 r"""get_function(WeightedSumOfExponential self, unsigned int i) -> UnaryFunction"""
7028 return _IMP_core.WeightedSumOfExponential_get_function(self, i)
7030 def set_denominator(self, denom):
7031 r"""set_denominator(WeightedSumOfExponential self, double denom)"""
7032 return _IMP_core.WeightedSumOfExponential_set_denominator(self, denom)
7034 def get_denominator(self):
7035 r"""get_denominator(WeightedSumOfExponential self) -> double"""
7036 return _IMP_core.WeightedSumOfExponential_get_denominator(self)
7038 def get_version_info(self):
7039 r"""get_version_info(WeightedSumOfExponential self) -> VersionInfo"""
7040 return _IMP_core.WeightedSumOfExponential_get_version_info(self)
7041 __swig_destroy__ = _IMP_core.delete_WeightedSumOfExponential
7044 r"""__str__(WeightedSumOfExponential self) -> std::string"""
7045 return _IMP_core.WeightedSumOfExponential___str__(self)
7048 r"""__repr__(WeightedSumOfExponential self) -> std::string"""
7049 return _IMP_core.WeightedSumOfExponential___repr__(self)
7053 return _object_cast_to_WeightedSumOfExponential(o)
7057 import jax.numpy
as jnp
7058 def score(val, funcs, weights, denom):
7059 exp_sum = sum(weight * jnp.exp(-f(val) / denom)
7060 for (f, weight)
in zip(funcs, weights))
7061 return -jnp.log(exp_sum) * denom
7062 nfunc = self.get_function_number()
7063 funcs = [self.get_function(i).get_derived_object()._get_jax()
7064 for i
in range(nfunc)]
7065 return functools.partial(score, funcs=funcs,
7066 weights=self.get_weights(),
7067 denom=self.get_denominator())
7071 _IMP_core.WeightedSumOfExponential_swigregister(WeightedSumOfExponential)
7073 r"""Proxy of C++ IMP::core::MSConnectivityRestraint class."""
7075 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7077 def __init__(self, m, ps, eps=0.1):
7078 r"""__init__(MSConnectivityRestraint self, Model m, PairScore ps, double eps=0.1) -> MSConnectivityRestraint"""
7079 _IMP_core.MSConnectivityRestraint_swiginit(self, _IMP_core.new_MSConnectivityRestraint(m, ps, eps))
7081 def add_type(self, ps):
7082 r"""add_type(MSConnectivityRestraint self, IMP::ParticlesTemp const & ps) -> unsigned int"""
7083 return _IMP_core.MSConnectivityRestraint_add_type(self, ps)
7085 def add_composite(self, *args):
7087 add_composite(MSConnectivityRestraint self, IMP::Ints const & components) -> unsigned int
7088 add_composite(MSConnectivityRestraint self, IMP::Ints const & components, unsigned int parent) -> unsigned int
7090 return _IMP_core.MSConnectivityRestraint_add_composite(self, *args)
7092 def get_connected_pairs(self):
7093 r"""get_connected_pairs(MSConnectivityRestraint self) -> IMP::ParticlePairsTemp"""
7094 return _IMP_core.MSConnectivityRestraint_get_connected_pairs(self)
7096 def get_pair_score(self):
7097 r"""get_pair_score(MSConnectivityRestraint self) -> PairScore"""
7098 return _IMP_core.MSConnectivityRestraint_get_pair_score(self)
7100 def do_create_current_decomposition(self):
7101 r"""do_create_current_decomposition(MSConnectivityRestraint self) -> IMP::Restraints"""
7102 return _IMP_core.MSConnectivityRestraint_do_create_current_decomposition(self)
7104 def do_get_inputs(self):
7105 r"""do_get_inputs(MSConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
7106 return _IMP_core.MSConnectivityRestraint_do_get_inputs(self)
7108 def get_version_info(self):
7109 r"""get_version_info(MSConnectivityRestraint self) -> VersionInfo"""
7110 return _IMP_core.MSConnectivityRestraint_get_version_info(self)
7111 __swig_destroy__ = _IMP_core.delete_MSConnectivityRestraint
7114 r"""__str__(MSConnectivityRestraint self) -> std::string"""
7115 return _IMP_core.MSConnectivityRestraint___str__(self)
7118 r"""__repr__(MSConnectivityRestraint self) -> std::string"""
7119 return _IMP_core.MSConnectivityRestraint___repr__(self)
7123 return _object_cast_to_MSConnectivityRestraint(o)
7127 _IMP_core.MSConnectivityRestraint_swigregister(MSConnectivityRestraint)
7128 class HierarchyTraits(object):
7129 r"""Proxy of C++ IMP::core::HierarchyTraits class."""
7131 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7133 def __init__(self, *args):
7135 __init__(HierarchyTraits self) -> HierarchyTraits
7136 __init__(HierarchyTraits self, std::string name) -> HierarchyTraits
7138 _IMP_core.HierarchyTraits_swiginit(self, _IMP_core.new_HierarchyTraits(*args))
7140 def get_children_key(self):
7141 r"""get_children_key(HierarchyTraits self) -> ParticleIndexesKey"""
7142 return _IMP_core.HierarchyTraits_get_children_key(self)
7144 def get_parent_key(self):
7145 r"""get_parent_key(HierarchyTraits self) -> ParticleIndexKey"""
7146 return _IMP_core.HierarchyTraits_get_parent_key(self)
7148 def __eq__(self, o):
7149 r"""__eq__(HierarchyTraits self, HierarchyTraits o) -> bool"""
7150 return _IMP_core.HierarchyTraits___eq__(self, o)
7152 def show(self, *args):
7153 r"""show(HierarchyTraits self, _ostream out=std::cout)"""
7154 return _IMP_core.HierarchyTraits_show(self, *args)
7157 r"""__str__(HierarchyTraits self) -> std::string"""
7158 return _IMP_core.HierarchyTraits___str__(self)
7161 r"""__repr__(HierarchyTraits self) -> std::string"""
7162 return _IMP_core.HierarchyTraits___repr__(self)
7163 __swig_destroy__ = _IMP_core.delete_HierarchyTraits
7166 _IMP_core.HierarchyTraits_swigregister(HierarchyTraits)
7168 r"""Proxy of C++ IMP::core::Hierarchy class."""
7170 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7172 def get_decorator_traits(self):
7173 r"""get_decorator_traits(Hierarchy self) -> HierarchyTraits"""
7174 return _IMP_core.Hierarchy_get_decorator_traits(self)
7177 def get_default_decorator_traits():
7178 r"""get_default_decorator_traits() -> HierarchyTraits"""
7179 return _IMP_core.Hierarchy_get_default_decorator_traits()
7181 def __init__(self, *args):
7183 __init__(Hierarchy self) -> Hierarchy
7184 __init__(Hierarchy self, Model m, ParticleIndex id, HierarchyTraits tr=get_default_traits()) -> Hierarchy
7185 __init__(Hierarchy self, _ParticleAdaptor d, HierarchyTraits tr=get_default_traits()) -> Hierarchy
7187 _IMP_core.Hierarchy_swiginit(self, _IMP_core.new_Hierarchy(*args))
7189 def show(self, *args):
7190 r"""show(Hierarchy self, _ostream out=std::cout)"""
7191 return _IMP_core.Hierarchy_show(self, *args)
7194 def setup_particle(*args):
7196 setup_particle(Model m, ParticleIndex pi, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7197 setup_particle(_ParticleAdaptor d, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7198 setup_particle(Model m, ParticleIndex pi, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7199 setup_particle(_ParticleAdaptor d, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7200 setup_particle(Model m, ParticleIndex pi, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7201 setup_particle(_ParticleAdaptor d, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7203 return _IMP_core.Hierarchy_setup_particle(*args)
7206 def get_is_setup(*args):
7208 get_is_setup(_ParticleAdaptor p, HierarchyTraits tr=get_default_traits()) -> bool
7209 get_is_setup(Model arg1, ParticleIndex arg2, HierarchyTraits arg3=Hierarchy::get_default_traits()) -> bool
7211 return _IMP_core.Hierarchy_get_is_setup(*args)
7214 def get_changed_key():
7215 r"""get_changed_key() -> TriggerKey"""
7216 return _IMP_core.Hierarchy_get_changed_key()
7218 def get_parent(self):
7219 r"""get_parent(Hierarchy self) -> Hierarchy"""
7220 return _IMP_core.Hierarchy_get_parent(self)
7222 def get_number_of_children(self):
7223 r"""get_number_of_children(Hierarchy self) -> unsigned int"""
7224 return _IMP_core.Hierarchy_get_number_of_children(self)
7226 def get_child(self, i):
7227 r"""get_child(Hierarchy self, unsigned int i) -> Hierarchy"""
7228 return _IMP_core.Hierarchy_get_child(self, i)
7230 def get_children_indexes(self):
7231 r"""get_children_indexes(Hierarchy self) -> IMP::ParticleIndexes"""
7232 return _IMP_core.Hierarchy_get_children_indexes(self)
7234 def get_children(self):
7235 r"""get_children(Hierarchy self) -> IMP::core::GenericHierarchies"""
7236 return _IMP_core.Hierarchy_get_children(self)
7238 def remove_child(self, *args):
7240 remove_child(Hierarchy self, unsigned int i)
7241 remove_child(Hierarchy self, Hierarchy h)
7243 return _IMP_core.Hierarchy_remove_child(self, *args)
7245 def clear_children(self):
7246 r"""clear_children(Hierarchy self)"""
7247 return _IMP_core.Hierarchy_clear_children(self)
7249 def add_child(self, h):
7250 r"""add_child(Hierarchy self, Hierarchy h)"""
7251 return _IMP_core.Hierarchy_add_child(self, h)
7253 def add_child_at(self, h, pos):
7254 r"""add_child_at(Hierarchy self, Hierarchy h, unsigned int pos)"""
7255 return _IMP_core.Hierarchy_add_child_at(self, h, pos)
7257 def get_child_index(self, *args):
7259 get_child_index(Hierarchy self, unsigned int i) -> ParticleIndex
7260 get_child_index(Hierarchy self) -> int
7262 return _IMP_core.Hierarchy_get_child_index(self, *args)
7265 def get_default_traits():
7266 r"""get_default_traits() -> HierarchyTraits"""
7267 return _IMP_core.Hierarchy_get_default_traits()
7269 def get_traits(self):
7270 r"""get_traits(Hierarchy self) -> HierarchyTraits"""
7271 return _IMP_core.Hierarchy_get_traits(self)
7273 def add_attribute(self, *args):
7275 add_attribute(Hierarchy self, FloatKey k, IMP::Float v, bool opt)
7276 add_attribute(Hierarchy self, FloatKey a0, IMP::Float a1)
7277 add_attribute(Hierarchy self, IntKey a0, IMP::Int a1)
7278 add_attribute(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7279 add_attribute(Hierarchy self, IntsKey a0, IMP::Ints a1)
7280 add_attribute(Hierarchy self, StringKey a0, IMP::String a1)
7281 add_attribute(Hierarchy self, ParticleIndexKey a0, Particle a1)
7282 add_attribute(Hierarchy self, ObjectKey a0, Object a1)
7283 add_attribute(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7284 add_attribute(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7285 add_attribute(Hierarchy self, SparseStringKey a0, IMP::String a1)
7286 add_attribute(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7288 return _IMP_core.Hierarchy_add_attribute(self, *args)
7290 def get_value(self, *args):
7292 get_value(Hierarchy self, FloatKey a0) -> IMP::Float
7293 get_value(Hierarchy self, IntKey a0) -> IMP::Int
7294 get_value(Hierarchy self, FloatsKey a0) -> IMP::Floats
7295 get_value(Hierarchy self, IntsKey a0) -> IMP::Ints
7296 get_value(Hierarchy self, StringKey a0) -> IMP::String
7297 get_value(Hierarchy self, ParticleIndexKey a0) -> Particle
7298 get_value(Hierarchy self, ObjectKey a0) -> Object
7299 get_value(Hierarchy self, SparseFloatKey a0) -> IMP::Float
7300 get_value(Hierarchy self, SparseIntKey a0) -> IMP::Int
7301 get_value(Hierarchy self, SparseStringKey a0) -> IMP::String
7302 get_value(Hierarchy self, SparseParticleIndexKey a0) -> ParticleIndex
7304 return _IMP_core.Hierarchy_get_value(self, *args)
7306 def set_value(self, *args):
7308 set_value(Hierarchy self, FloatKey a0, IMP::Float a1)
7309 set_value(Hierarchy self, IntKey a0, IMP::Int a1)
7310 set_value(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7311 set_value(Hierarchy self, IntsKey a0, IMP::Ints a1)
7312 set_value(Hierarchy self, StringKey a0, IMP::String a1)
7313 set_value(Hierarchy self, ParticleIndexKey a0, Particle a1)
7314 set_value(Hierarchy self, ObjectKey a0, Object a1)
7315 set_value(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7316 set_value(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7317 set_value(Hierarchy self, SparseStringKey a0, IMP::String a1)
7318 set_value(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7320 return _IMP_core.Hierarchy_set_value(self, *args)
7322 def remove_attribute(self, *args):
7324 remove_attribute(Hierarchy self, FloatKey a0)
7325 remove_attribute(Hierarchy self, IntKey a0)
7326 remove_attribute(Hierarchy self, FloatsKey a0)
7327 remove_attribute(Hierarchy self, IntsKey a0)
7328 remove_attribute(Hierarchy self, StringKey a0)
7329 remove_attribute(Hierarchy self, ParticleIndexKey a0)
7330 remove_attribute(Hierarchy self, ObjectKey a0)
7331 remove_attribute(Hierarchy self, SparseFloatKey a0)
7332 remove_attribute(Hierarchy self, SparseIntKey a0)
7333 remove_attribute(Hierarchy self, SparseStringKey a0)
7334 remove_attribute(Hierarchy self, SparseParticleIndexKey a0)
7336 return _IMP_core.Hierarchy_remove_attribute(self, *args)
7338 def has_attribute(self, *args):
7340 has_attribute(Hierarchy self, FloatKey a0) -> bool
7341 has_attribute(Hierarchy self, IntKey a0) -> bool
7342 has_attribute(Hierarchy self, FloatsKey a0) -> bool
7343 has_attribute(Hierarchy self, IntsKey a0) -> bool
7344 has_attribute(Hierarchy self, StringKey a0) -> bool
7345 has_attribute(Hierarchy self, ParticleIndexKey a0) -> bool
7346 has_attribute(Hierarchy self, ObjectKey a0) -> bool
7347 has_attribute(Hierarchy self, SparseFloatKey a0) -> bool
7348 has_attribute(Hierarchy self, SparseIntKey a0) -> bool
7349 has_attribute(Hierarchy self, SparseStringKey a0) -> bool
7350 has_attribute(Hierarchy self, SparseParticleIndexKey a0) -> bool
7352 return _IMP_core.Hierarchy_has_attribute(self, *args)
7354 def get_derivative(self, a0):
7355 r"""get_derivative(Hierarchy self, FloatKey a0) -> double"""
7356 return _IMP_core.Hierarchy_get_derivative(self, a0)
7359 r"""get_name(Hierarchy self) -> std::string"""
7360 return _IMP_core.Hierarchy_get_name(self)
7362 def clear_caches(self):
7363 r"""clear_caches(Hierarchy self)"""
7364 return _IMP_core.Hierarchy_clear_caches(self)
7366 def set_name(self, a0):
7367 r"""set_name(Hierarchy self, std::string a0)"""
7368 return _IMP_core.Hierarchy_set_name(self, a0)
7371 r"""set_check_level(Hierarchy self, IMP::CheckLevel a0)"""
7372 return _IMP_core.Hierarchy_set_check_level(self, a0)
7374 def add_to_derivative(self, a0, a1, a2):
7375 r"""add_to_derivative(Hierarchy self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7376 return _IMP_core.Hierarchy_add_to_derivative(self, a0, a1, a2)
7378 def set_is_optimized(self, a0, a1):
7379 r"""set_is_optimized(Hierarchy self, FloatKey a0, bool a1)"""
7380 return _IMP_core.Hierarchy_set_is_optimized(self, a0, a1)
7382 def get_is_optimized(self, a0):
7383 r"""get_is_optimized(Hierarchy self, FloatKey a0) -> bool"""
7384 return _IMP_core.Hierarchy_get_is_optimized(self, a0)
7387 r"""get_check_level(Hierarchy self) -> IMP::CheckLevel"""
7388 return _IMP_core.Hierarchy_get_check_level(self)
7390 def __eq__(self, *args):
7392 __eq__(Hierarchy self, Hierarchy o) -> bool
7393 __eq__(Hierarchy self, Particle d) -> bool
7395 return _IMP_core.Hierarchy___eq__(self, *args)
7397 def __ne__(self, *args):
7399 __ne__(Hierarchy self, Hierarchy o) -> bool
7400 __ne__(Hierarchy self, Particle d) -> bool
7402 return _IMP_core.Hierarchy___ne__(self, *args)
7404 def __le__(self, *args):
7406 __le__(Hierarchy self, Hierarchy o) -> bool
7407 __le__(Hierarchy self, Particle d) -> bool
7409 return _IMP_core.Hierarchy___le__(self, *args)
7411 def __lt__(self, *args):
7413 __lt__(Hierarchy self, Hierarchy o) -> bool
7414 __lt__(Hierarchy self, Particle d) -> bool
7416 return _IMP_core.Hierarchy___lt__(self, *args)
7418 def __ge__(self, *args):
7420 __ge__(Hierarchy self, Hierarchy o) -> bool
7421 __ge__(Hierarchy self, Particle d) -> bool
7423 return _IMP_core.Hierarchy___ge__(self, *args)
7425 def __gt__(self, *args):
7427 __gt__(Hierarchy self, Hierarchy o) -> bool
7428 __gt__(Hierarchy self, Particle d) -> bool
7430 return _IMP_core.Hierarchy___gt__(self, *args)
7433 r"""__hash__(Hierarchy self) -> std::size_t"""
7434 return _IMP_core.Hierarchy___hash__(self)
7437 r"""__str__(Hierarchy self) -> std::string"""
7438 return _IMP_core.Hierarchy___str__(self)
7441 r"""__repr__(Hierarchy self) -> std::string"""
7442 return _IMP_core.Hierarchy___repr__(self)
7443 __swig_destroy__ = _IMP_core.delete_Hierarchy
7446 _IMP_core.Hierarchy_swigregister(Hierarchy)
7447 class HierarchyVisitor(object):
7448 r"""Proxy of C++ IMP::core::HierarchyVisitor class."""
7450 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7451 __repr__ = _swig_repr
7454 r"""__init__(HierarchyVisitor self) -> HierarchyVisitor"""
7455 if self.__class__ == HierarchyVisitor:
7459 _IMP_core.HierarchyVisitor_swiginit(self, _IMP_core.new_HierarchyVisitor(_self, ))
7461 if self.__class__ != HierarchyVisitor:
7462 _director_objects.register(self)
7467 def __call__(self, p):
7468 r"""__call__(HierarchyVisitor self, Hierarchy p) -> bool"""
7469 return _IMP_core.HierarchyVisitor___call__(self, p)
7470 __swig_destroy__ = _IMP_core.delete_HierarchyVisitor
7471 def __disown__(self):
7473 _IMP_core.disown_HierarchyVisitor(self)
7474 return weakref.proxy(self)
7477 _IMP_core.HierarchyVisitor_swigregister(HierarchyVisitor)
7478 class ModifierVisitor(HierarchyVisitor):
7479 r"""Proxy of C++ IMP::core::ModifierVisitor class."""
7481 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7482 __repr__ = _swig_repr
7484 def __init__(self, sm):
7485 r"""__init__(ModifierVisitor self, SingletonModifier sm) -> ModifierVisitor"""
7486 _IMP_core.ModifierVisitor_swiginit(self, _IMP_core.new_ModifierVisitor(sm))
7487 __swig_destroy__ = _IMP_core.delete_ModifierVisitor
7490 _IMP_core.ModifierVisitor_swigregister(ModifierVisitor)
7491 class HierarchyCounter(HierarchyVisitor):
7492 r"""Proxy of C++ IMP::core::HierarchyCounter class."""
7494 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7497 r"""__init__(HierarchyCounter self) -> HierarchyCounter"""
7498 _IMP_core.HierarchyCounter_swiginit(self, _IMP_core.new_HierarchyCounter())
7500 def get_count(self):
7501 r"""get_count(HierarchyCounter self) -> unsigned int"""
7502 return _IMP_core.HierarchyCounter_get_count(self)
7504 def show(self, *args):
7505 r"""show(HierarchyCounter self, _ostream out=std::cout)"""
7506 return _IMP_core.HierarchyCounter_show(self, *args)
7509 r"""__str__(HierarchyCounter self) -> std::string"""
7510 return _IMP_core.HierarchyCounter___str__(self)
7513 r"""__repr__(HierarchyCounter self) -> std::string"""
7514 return _IMP_core.HierarchyCounter___repr__(self)
7516 def _get_as_binary(self):
7517 r"""_get_as_binary(HierarchyCounter self) -> PyObject *"""
7518 return _IMP_core.HierarchyCounter__get_as_binary(self)
7520 def _set_from_binary(self, p):
7521 r"""_set_from_binary(HierarchyCounter self, PyObject * p)"""
7522 return _IMP_core.HierarchyCounter__set_from_binary(self, p)
7524 def __getstate__(self):
7525 p = self._get_as_binary()
7526 if len(self.__dict__) > 1:
7527 d = self.__dict__.copy()
7532 def __setstate__(self, p):
7533 if not hasattr(self,
'this'):
7535 if isinstance(p, tuple):
7537 self.__dict__.update(d)
7538 return self._set_from_binary(p)
7540 __swig_destroy__ = _IMP_core.delete_HierarchyCounter
7543 _IMP_core.HierarchyCounter_swigregister(HierarchyCounter)
7546 r"""get_leaves(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7547 return _IMP_core.get_leaves(mhd)
7550 r"""get_internal(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7551 return _IMP_core.get_internal(mhd)
7554 r"""get_all_descendants(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7555 return _IMP_core.get_all_descendants(mhd)
7558 r"""get_root(Hierarchy h) -> Hierarchy"""
7559 return _IMP_core.get_root(h)
7562 r"""visit_breadth_first(Hierarchy d, HierarchyVisitor f)"""
7563 return _IMP_core.visit_breadth_first(d, f)
7566 r"""visit_depth_first(Hierarchy d, HierarchyVisitor f)"""
7567 return _IMP_core.visit_depth_first(d, f)
7569 r"""Proxy of C++ IMP::core::LeavesRefiner class."""
7571 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7573 def __init__(self, tr):
7574 r"""__init__(LeavesRefiner self, HierarchyTraits tr) -> LeavesRefiner"""
7575 _IMP_core.LeavesRefiner_swiginit(self, _IMP_core.new_LeavesRefiner(tr))
7577 def do_get_inputs(self, m, pis):
7578 r"""do_get_inputs(LeavesRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7579 return _IMP_core.LeavesRefiner_do_get_inputs(self, m, pis)
7581 def get_version_info(self):
7582 r"""get_version_info(LeavesRefiner self) -> VersionInfo"""
7583 return _IMP_core.LeavesRefiner_get_version_info(self)
7584 __swig_destroy__ = _IMP_core.delete_LeavesRefiner
7587 r"""__str__(LeavesRefiner self) -> std::string"""
7588 return _IMP_core.LeavesRefiner___str__(self)
7591 r"""__repr__(LeavesRefiner self) -> std::string"""
7592 return _IMP_core.LeavesRefiner___repr__(self)
7596 return _object_cast_to_LeavesRefiner(o)
7600 _IMP_core.LeavesRefiner_swigregister(LeavesRefiner)
7602 r"""Proxy of C++ IMP::core::Linear class."""
7604 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7606 def __init__(self, *args):
7608 __init__(Linear self, double offset, double slope) -> Linear
7609 __init__(Linear self) -> Linear
7611 _IMP_core.Linear_swiginit(self, _IMP_core.new_Linear(*args))
7613 def set_slope(self, f):
7614 r"""set_slope(Linear self, double f)"""
7615 return _IMP_core.Linear_set_slope(self, f)
7617 def get_slope(self):
7618 r"""get_slope(Linear self) -> double"""
7619 return _IMP_core.Linear_get_slope(self)
7621 def set_offset(self, f):
7622 r"""set_offset(Linear self, double f)"""
7623 return _IMP_core.Linear_set_offset(self, f)
7625 def get_offset(self):
7626 r"""get_offset(Linear self) -> double"""
7627 return _IMP_core.Linear_get_offset(self)
7629 def get_version_info(self):
7630 r"""get_version_info(Linear self) -> VersionInfo"""
7631 return _IMP_core.Linear_get_version_info(self)
7632 __swig_destroy__ = _IMP_core.delete_Linear
7635 r"""__str__(Linear self) -> std::string"""
7636 return _IMP_core.Linear___str__(self)
7639 r"""__repr__(Linear self) -> std::string"""
7640 return _IMP_core.Linear___repr__(self)
7644 return _object_cast_to_Linear(o)
7647 def _get_as_binary(self):
7648 r"""_get_as_binary(Linear self) -> PyObject *"""
7649 return _IMP_core.Linear__get_as_binary(self)
7651 def _set_from_binary(self, p):
7652 r"""_set_from_binary(Linear self, PyObject * p)"""
7653 return _IMP_core.Linear__set_from_binary(self, p)
7655 def __getstate__(self):
7656 p = self._get_as_binary()
7657 if len(self.__dict__) > 1:
7658 d = self.__dict__.copy()
7663 def __setstate__(self, p):
7664 if not hasattr(self,
'this'):
7666 if isinstance(p, tuple):
7668 self.__dict__.update(d)
7669 return self._set_from_binary(p)
7673 def score(val, slope, offset):
7674 return (val - offset) * slope
7675 return functools.partial(score, slope=self.get_slope(),
7676 offset=self.get_offset())
7680 _IMP_core.Linear_swigregister(Linear)
7681 class LogNormalMover(MonteCarloMover):
7682 r"""Proxy of C++ IMP::core::LogNormalMover class."""
7684 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7686 def __init__(self, *args):
7688 __init__(LogNormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> LogNormalMover
7689 __init__(LogNormalMover self, Model m, ParticleIndex pi, double stddev) -> LogNormalMover
7690 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> LogNormalMover
7691 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> LogNormalMover
7692 __init__(LogNormalMover self) -> LogNormalMover
7694 _IMP_core.LogNormalMover_swiginit(self, _IMP_core.new_LogNormalMover(*args))
7696 def set_sigma(self, sigma):
7697 r"""set_sigma(LogNormalMover self, IMP::Float sigma)"""
7698 return _IMP_core.LogNormalMover_set_sigma(self, sigma)
7700 def get_sigma(self):
7701 r"""get_sigma(LogNormalMover self) -> IMP::Float"""
7702 return _IMP_core.LogNormalMover_get_sigma(self)
7705 r"""get_indexes(LogNormalMover self) -> IMP::ParticleIndexes"""
7706 return _IMP_core.LogNormalMover_get_indexes(self)
7709 r"""get_keys(LogNormalMover self) -> IMP::FloatKeys"""
7710 return _IMP_core.LogNormalMover_get_keys(self)
7712 def get_version_info(self):
7713 r"""get_version_info(LogNormalMover self) -> VersionInfo"""
7714 return _IMP_core.LogNormalMover_get_version_info(self)
7715 __swig_destroy__ = _IMP_core.delete_LogNormalMover
7718 r"""__str__(LogNormalMover self) -> std::string"""
7719 return _IMP_core.LogNormalMover___str__(self)
7722 r"""__repr__(LogNormalMover self) -> std::string"""
7723 return _IMP_core.LogNormalMover___repr__(self)
7727 return _object_cast_to_LogNormalMover(o)
7730 def _get_as_binary(self):
7731 r"""_get_as_binary(LogNormalMover self) -> PyObject *"""
7732 return _IMP_core.LogNormalMover__get_as_binary(self)
7734 def _set_from_binary(self, p):
7735 r"""_set_from_binary(LogNormalMover self, PyObject * p)"""
7736 return _IMP_core.LogNormalMover__set_from_binary(self, p)
7738 def __getstate__(self):
7739 p = self._get_as_binary()
7740 if len(self.__dict__) > 1:
7741 d = self.__dict__.copy()
7746 def __setstate__(self, p):
7747 if not hasattr(self,
'this'):
7749 if isinstance(p, tuple):
7751 self.__dict__.update(d)
7752 return self._set_from_binary(p)
7755 def _get_jax(self, space):
7757 from IMP.core._jax_util
import _get_offset_propose_func
7758 keys = self.get_keys()
7759 sigma = self.get_sigma()
7761 def offset_func(key, shape):
7762 key, subkey = jax.random.split(key)
7763 return key, jax.random.lognormal(subkey, sigma, shape)
7765 propose_func, keys = _get_offset_propose_func(
7766 self.get_indexes(), keys, offset_func)
7768 return self._wrap_jax(
lambda key: key, propose_func, keys=keys)
7772 _IMP_core.LogNormalMover_swigregister(LogNormalMover)
7773 IMP_CORE_HAS_MONTE_CARLO_MOVER = _IMP_core.IMP_CORE_HAS_MONTE_CARLO_MOVER
7776 r"""Proxy of C++ IMP::core::MonteCarlo class."""
7778 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7780 def __init__(self, *args):
7782 __init__(MonteCarlo self, Model m) -> MonteCarlo
7783 __init__(MonteCarlo self) -> MonteCarlo
7785 _IMP_core.MonteCarlo_swiginit(self, _IMP_core.new_MonteCarlo(*args))
7787 def get_version_info(self):
7788 r"""get_version_info(MonteCarlo self) -> VersionInfo"""
7789 return _IMP_core.MonteCarlo_get_version_info(self)
7790 __swig_destroy__ = _IMP_core.delete_MonteCarlo
7792 def set_return_best(self, tf):
7793 r"""set_return_best(MonteCarlo self, bool tf)"""
7794 return _IMP_core.MonteCarlo_set_return_best(self, tf)
7796 def get_return_best(self):
7797 r"""get_return_best(MonteCarlo self) -> bool"""
7798 return _IMP_core.MonteCarlo_get_return_best(self)
7800 def set_score_moved(self, mv):
7801 r"""set_score_moved(MonteCarlo self, bool mv)"""
7802 return _IMP_core.MonteCarlo_set_score_moved(self, mv)
7804 def set_kt(self, t):
7805 r"""set_kt(MonteCarlo self, IMP::Float t)"""
7806 return _IMP_core.MonteCarlo_set_kt(self, t)
7809 r"""get_kt(MonteCarlo self) -> IMP::Float"""
7810 return _IMP_core.MonteCarlo_get_kt(self)
7812 def get_last_accepted_energy(self):
7813 r"""get_last_accepted_energy(MonteCarlo self) -> double"""
7814 return _IMP_core.MonteCarlo_get_last_accepted_energy(self)
7816 def set_last_accepted_energy(self, energy):
7817 r"""set_last_accepted_energy(MonteCarlo self, double energy)"""
7818 return _IMP_core.MonteCarlo_set_last_accepted_energy(self, energy)
7820 def get_best_accepted_energy(self):
7821 r"""get_best_accepted_energy(MonteCarlo self) -> double"""
7822 return _IMP_core.MonteCarlo_get_best_accepted_energy(self)
7824 def set_best_accepted_energy(self, energy):
7825 r"""set_best_accepted_energy(MonteCarlo self, double energy)"""
7826 return _IMP_core.MonteCarlo_set_best_accepted_energy(self, energy)
7828 def get_number_of_downward_steps(self):
7829 r"""get_number_of_downward_steps(MonteCarlo self) -> unsigned int"""
7830 return _IMP_core.MonteCarlo_get_number_of_downward_steps(self)
7832 def get_number_of_upward_steps(self):
7833 r"""get_number_of_upward_steps(MonteCarlo self) -> unsigned int"""
7834 return _IMP_core.MonteCarlo_get_number_of_upward_steps(self)
7836 def get_number_of_proposed_steps(self):
7837 r"""get_number_of_proposed_steps(MonteCarlo self) -> unsigned int"""
7838 return _IMP_core.MonteCarlo_get_number_of_proposed_steps(self)
7840 def get_number_of_accepted_steps(self):
7841 r"""get_number_of_accepted_steps(MonteCarlo self) -> unsigned int"""
7842 return _IMP_core.MonteCarlo_get_number_of_accepted_steps(self)
7844 def set_number_of_downward_steps(self, nsteps):
7845 r"""set_number_of_downward_steps(MonteCarlo self, unsigned int nsteps)"""
7846 return _IMP_core.MonteCarlo_set_number_of_downward_steps(self, nsteps)
7848 def set_number_of_upward_steps(self, nsteps):
7849 r"""set_number_of_upward_steps(MonteCarlo self, unsigned int nsteps)"""
7850 return _IMP_core.MonteCarlo_set_number_of_upward_steps(self, nsteps)
7852 def set_number_of_rejected_steps(self, nsteps):
7853 r"""set_number_of_rejected_steps(MonteCarlo self, unsigned int nsteps)"""
7854 return _IMP_core.MonteCarlo_set_number_of_rejected_steps(self, nsteps)
7856 def reset_statistics(self):
7857 r"""reset_statistics(MonteCarlo self)"""
7858 return _IMP_core.MonteCarlo_reset_statistics(self)
7860 def set_score_threshold(self, s):
7861 r"""set_score_threshold(MonteCarlo self, double s)"""
7862 return _IMP_core.MonteCarlo_set_score_threshold(self, s)
7864 def get_score_threshold(self):
7865 r"""get_score_threshold(MonteCarlo self) -> double"""
7866 return _IMP_core.MonteCarlo_get_score_threshold(self)
7868 def set_maximum_difference(self, d):
7869 r"""set_maximum_difference(MonteCarlo self, double d)"""
7870 return _IMP_core.MonteCarlo_set_maximum_difference(self, d)
7872 def get_maximum_difference(self):
7873 r"""get_maximum_difference(MonteCarlo self) -> double"""
7874 return _IMP_core.MonteCarlo_get_maximum_difference(self)
7875 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)
7876 def __set_movers(self, obj): IMP._list_util.set_varlist(self.movers, obj)
7877 def __del_movers(self): IMP._list_util.del_varlist(self.movers)
7878 movers = property(__get_movers, __set_movers, __del_movers, doc=
"List of ##ucnames")
7880 def remove_mover(self, d):
7881 r"""remove_mover(MonteCarlo self, MonteCarloMover d)"""
7882 return _IMP_core.MonteCarlo_remove_mover(self, d)
7884 def _python_index_mover(self, d, start, stop):
7885 r"""_python_index_mover(MonteCarlo self, MonteCarloMover d, unsigned int start, unsigned int stop) -> unsigned int"""
7886 return _IMP_core.MonteCarlo__python_index_mover(self, d, start, stop)
7888 def remove_movers(self, d):
7889 r"""remove_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & d)"""
7890 return _IMP_core.MonteCarlo_remove_movers(self, d)
7892 def set_movers(self, ps):
7893 r"""set_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & ps)"""
7894 return _IMP_core.MonteCarlo_set_movers(self, ps)
7896 def set_movers_order(self, objs):
7897 r"""set_movers_order(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7898 return _IMP_core.MonteCarlo_set_movers_order(self, objs)
7900 def add_mover(self, obj):
7901 r"""add_mover(MonteCarlo self, MonteCarloMover obj) -> unsigned int"""
7902 return _IMP_core.MonteCarlo_add_mover(self, obj)
7904 def add_movers(self, objs):
7905 r"""add_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7906 return _IMP_core.MonteCarlo_add_movers(self, objs)
7908 def clear_movers(self):
7909 r"""clear_movers(MonteCarlo self)"""
7910 return _IMP_core.MonteCarlo_clear_movers(self)
7912 def get_number_of_movers(self):
7913 r"""get_number_of_movers(MonteCarlo self) -> unsigned int"""
7914 return _IMP_core.MonteCarlo_get_number_of_movers(self)
7916 def get_has_movers(self):
7917 r"""get_has_movers(MonteCarlo self) -> bool"""
7918 return _IMP_core.MonteCarlo_get_has_movers(self)
7920 def get_mover(self, i):
7921 r"""get_mover(MonteCarlo self, unsigned int i) -> MonteCarloMover"""
7922 return _IMP_core.MonteCarlo_get_mover(self, i)
7924 def get_movers(self):
7925 r"""get_movers(MonteCarlo self) -> IMP::core::MonteCarloMovers"""
7926 return _IMP_core.MonteCarlo_get_movers(self)
7928 def erase_mover(self, i):
7929 r"""erase_mover(MonteCarlo self, unsigned int i)"""
7930 return _IMP_core.MonteCarlo_erase_mover(self, i)
7932 def reserve_movers(self, sz):
7933 r"""reserve_movers(MonteCarlo self, unsigned int sz)"""
7934 return _IMP_core.MonteCarlo_reserve_movers(self, sz)
7937 r"""__str__(MonteCarlo self) -> std::string"""
7938 return _IMP_core.MonteCarlo___str__(self)
7941 r"""__repr__(MonteCarlo self) -> std::string"""
7942 return _IMP_core.MonteCarlo___repr__(self)
7946 return _object_cast_to_MonteCarlo(o)
7949 def _get_as_binary(self):
7950 r"""_get_as_binary(MonteCarlo self) -> PyObject *"""
7951 return _IMP_core.MonteCarlo__get_as_binary(self)
7953 def _set_from_binary(self, p):
7954 r"""_set_from_binary(MonteCarlo self, PyObject * p)"""
7955 return _IMP_core.MonteCarlo__set_from_binary(self, p)
7957 def __getstate__(self):
7958 p = self._get_as_binary()
7959 if len(self.__dict__) > 1:
7960 d = self.__dict__.copy()
7965 def __setstate__(self, p):
7966 if not hasattr(self,
'this'):
7968 if isinstance(p, tuple):
7970 self.__dict__.update(d)
7971 return self._set_from_binary(p)
7974 def _get_jax(self, space=None):
7975 from IMP.core._jax_util
import _MCJAXInfo
7976 return _MCJAXInfo(self, space)
7978 def _get_jax_optimizer(self, max_steps, space=None):
7979 import IMP.core._jax_util
7980 return IMP.core._jax_util._MCJAXOptimizer(self, max_steps, space)
7982 def _optimize_jax(self, max_steps, space=None):
7983 opt = self._get_jax_optimizer(max_steps, space=space)
7984 score, mc_state = opt.optimize(opt.get_initial_state())
7989 _IMP_core.MonteCarlo_swigregister(MonteCarlo)
7990 class MonteCarloWithLocalOptimization(MonteCarlo):
7991 r"""Proxy of C++ IMP::core::MonteCarloWithLocalOptimization class."""
7993 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7995 def __init__(self, opt, steps):
7996 r"""__init__(MonteCarloWithLocalOptimization self, Optimizer opt, unsigned int steps) -> MonteCarloWithLocalOptimization"""
7997 _IMP_core.MonteCarloWithLocalOptimization_swiginit(self, _IMP_core.new_MonteCarloWithLocalOptimization(opt, steps))
7999 def get_number_of_steps(self):
8000 r"""get_number_of_steps(MonteCarloWithLocalOptimization self) -> unsigned int"""
8001 return _IMP_core.MonteCarloWithLocalOptimization_get_number_of_steps(self)
8003 def get_local_optimizer(self):
8004 r"""get_local_optimizer(MonteCarloWithLocalOptimization self) -> Optimizer"""
8005 return _IMP_core.MonteCarloWithLocalOptimization_get_local_optimizer(self)
8006 __swig_destroy__ = _IMP_core.delete_MonteCarloWithLocalOptimization
8009 r"""__str__(MonteCarloWithLocalOptimization self) -> std::string"""
8010 return _IMP_core.MonteCarloWithLocalOptimization___str__(self)
8013 r"""__repr__(MonteCarloWithLocalOptimization self) -> std::string"""
8014 return _IMP_core.MonteCarloWithLocalOptimization___repr__(self)
8018 return _object_cast_to_MonteCarloWithLocalOptimization(o)
8022 _IMP_core.MonteCarloWithLocalOptimization_swigregister(MonteCarloWithLocalOptimization)
8023 class MonteCarloWithBasinHopping(MonteCarloWithLocalOptimization):
8024 r"""Proxy of C++ IMP::core::MonteCarloWithBasinHopping class."""
8026 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8028 def __init__(self, opt, ns):
8029 r"""__init__(MonteCarloWithBasinHopping self, Optimizer opt, unsigned int ns) -> MonteCarloWithBasinHopping"""
8030 _IMP_core.MonteCarloWithBasinHopping_swiginit(self, _IMP_core.new_MonteCarloWithBasinHopping(opt, ns))
8031 __swig_destroy__ = _IMP_core.delete_MonteCarloWithBasinHopping
8034 r"""__str__(MonteCarloWithBasinHopping self) -> std::string"""
8035 return _IMP_core.MonteCarloWithBasinHopping___str__(self)
8038 r"""__repr__(MonteCarloWithBasinHopping self) -> std::string"""
8039 return _IMP_core.MonteCarloWithBasinHopping___repr__(self)
8043 return _object_cast_to_MonteCarloWithBasinHopping(o)
8047 _IMP_core.MonteCarloWithBasinHopping_swigregister(MonteCarloWithBasinHopping)
8049 r"""Proxy of C++ IMP::core::NeighborsTable class."""
8051 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8053 def __init__(self, *args):
8054 r"""__init__(NeighborsTable self, PairContainer input, std::string name="CloseNeighborsTable%1%") -> NeighborsTable"""
8055 _IMP_core.NeighborsTable_swiginit(self, _IMP_core.new_NeighborsTable(*args))
8057 def get_neighbors(self, pi):
8058 r"""get_neighbors(NeighborsTable self, ParticleIndex pi) -> IMP::ParticleIndexes const &"""
8059 return _IMP_core.NeighborsTable_get_neighbors(self, pi)
8061 def get_version_info(self):
8062 r"""get_version_info(NeighborsTable self) -> VersionInfo"""
8063 return _IMP_core.NeighborsTable_get_version_info(self)
8064 __swig_destroy__ = _IMP_core.delete_NeighborsTable
8067 r"""__str__(NeighborsTable self) -> std::string"""
8068 return _IMP_core.NeighborsTable___str__(self)
8071 r"""__repr__(NeighborsTable self) -> std::string"""
8072 return _IMP_core.NeighborsTable___repr__(self)
8076 return _object_cast_to_NeighborsTable(o)
8080 _IMP_core.NeighborsTable_swigregister(NeighborsTable)
8081 class NormalMover(MonteCarloMover):
8082 r"""Proxy of C++ IMP::core::NormalMover class."""
8084 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8086 def __init__(self, *args):
8088 __init__(NormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> NormalMover
8089 __init__(NormalMover self, Model m, ParticleIndex pi, double stddev) -> NormalMover
8090 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> NormalMover
8091 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> NormalMover
8092 __init__(NormalMover self) -> NormalMover
8094 _IMP_core.NormalMover_swiginit(self, _IMP_core.new_NormalMover(*args))
8096 def set_sigma(self, sigma):
8097 r"""set_sigma(NormalMover self, IMP::Float sigma)"""
8098 return _IMP_core.NormalMover_set_sigma(self, sigma)
8100 def get_sigma(self):
8101 r"""get_sigma(NormalMover self) -> IMP::Float"""
8102 return _IMP_core.NormalMover_get_sigma(self)
8105 r"""get_indexes(NormalMover self) -> IMP::ParticleIndexes"""
8106 return _IMP_core.NormalMover_get_indexes(self)
8109 r"""get_keys(NormalMover self) -> IMP::FloatKeys"""
8110 return _IMP_core.NormalMover_get_keys(self)
8112 def get_version_info(self):
8113 r"""get_version_info(NormalMover self) -> VersionInfo"""
8114 return _IMP_core.NormalMover_get_version_info(self)
8115 __swig_destroy__ = _IMP_core.delete_NormalMover
8118 r"""__str__(NormalMover self) -> std::string"""
8119 return _IMP_core.NormalMover___str__(self)
8122 r"""__repr__(NormalMover self) -> std::string"""
8123 return _IMP_core.NormalMover___repr__(self)
8127 return _object_cast_to_NormalMover(o)
8130 def _get_as_binary(self):
8131 r"""_get_as_binary(NormalMover self) -> PyObject *"""
8132 return _IMP_core.NormalMover__get_as_binary(self)
8134 def _set_from_binary(self, p):
8135 r"""_set_from_binary(NormalMover self, PyObject * p)"""
8136 return _IMP_core.NormalMover__set_from_binary(self, p)
8138 def __getstate__(self):
8139 p = self._get_as_binary()
8140 if len(self.__dict__) > 1:
8141 d = self.__dict__.copy()
8146 def __setstate__(self, p):
8147 if not hasattr(self,
'this'):
8149 if isinstance(p, tuple):
8151 self.__dict__.update(d)
8152 return self._set_from_binary(p)
8155 def _get_jax(self, space):
8157 from IMP.core._jax_util
import _get_offset_propose_func
8158 keys = self.get_keys()
8159 sigma = self.get_sigma()
8161 def offset_func(key, shape):
8162 key, subkey = jax.random.split(key)
8163 return key, jax.random.normal(subkey, shape) * sigma
8165 propose_func, keys = _get_offset_propose_func(
8166 self.get_indexes(), keys, offset_func)
8168 return self._wrap_jax(
lambda key: key, propose_func, keys=keys)
8172 _IMP_core.NormalMover_swigregister(NormalMover)
8173 class OpenCubicSpline(_OpenCubicSplineBase):
8174 r"""Proxy of C++ IMP::core::OpenCubicSpline class."""
8176 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8178 def __init__(self, values, minrange, spacing, extend=False):
8179 r"""__init__(OpenCubicSpline self, IMP::Floats const & values, IMP::Float minrange, IMP::Float spacing, bool extend=False) -> OpenCubicSpline"""
8180 _IMP_core.OpenCubicSpline_swiginit(self, _IMP_core.new_OpenCubicSpline(values, minrange, spacing, extend))
8182 def get_minrange(self):
8183 r"""get_minrange(OpenCubicSpline self) -> IMP::Float"""
8184 return _IMP_core.OpenCubicSpline_get_minrange(self)
8186 def get_spacing(self):
8187 r"""get_spacing(OpenCubicSpline self) -> IMP::Float"""
8188 return _IMP_core.OpenCubicSpline_get_spacing(self)
8190 def get_values(self):
8191 r"""get_values(OpenCubicSpline self) -> IMP::Floats"""
8192 return _IMP_core.OpenCubicSpline_get_values(self)
8194 def get_extend(self):
8195 r"""get_extend(OpenCubicSpline self) -> bool"""
8196 return _IMP_core.OpenCubicSpline_get_extend(self)
8198 def get_second_derivatives(self):
8199 r"""get_second_derivatives(OpenCubicSpline self) -> IMP::Floats"""
8200 return _IMP_core.OpenCubicSpline_get_second_derivatives(self)
8201 __swig_destroy__ = _IMP_core.delete_OpenCubicSpline
8204 r"""__str__(OpenCubicSpline self) -> std::string"""
8205 return _IMP_core.OpenCubicSpline___str__(self)
8208 r"""__repr__(OpenCubicSpline self) -> std::string"""
8209 return _IMP_core.OpenCubicSpline___repr__(self)
8213 return _object_cast_to_OpenCubicSpline(o)
8217 import jax.numpy
as jnp
8218 from IMP.core._jax_util
import _spline
8219 def score(feature, minrange, maxrange, spacing, values, second_derivs):
8221 feature = jnp.clip(feature, minrange, maxrange)
8223 lowbin = jnp.array((feature - minrange) / spacing, dtype=int)
8224 return _spline(feature, minrange, lowbin, lowbin + 1, spacing,
8225 values, second_derivs)
8226 spacing = self.get_spacing()
8227 minrange = self.get_minrange()
8228 values = jnp.asarray(self.get_values())
8229 maxrange = minrange + spacing * (len(values) - 1)
8230 return functools.partial(
8231 score, minrange=minrange, maxrange=maxrange,
8232 spacing=spacing, values=values,
8233 second_derivs=jnp.asarray(self.get_second_derivatives()))
8237 _IMP_core.OpenCubicSpline_swigregister(OpenCubicSpline)
8238 class QuadraticClosePairsFinder(ClosePairsFinder):
8239 r"""Proxy of C++ IMP::core::QuadraticClosePairsFinder class."""
8241 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8244 r"""__init__(QuadraticClosePairsFinder self) -> QuadraticClosePairsFinder"""
8245 _IMP_core.QuadraticClosePairsFinder_swiginit(self, _IMP_core.new_QuadraticClosePairsFinder())
8247 def get_are_close_and_filtered(self, *args):
8249 get_are_close_and_filtered(QuadraticClosePairsFinder self, Particle a, Particle b) -> bool
8250 get_are_close_and_filtered(QuadraticClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b) -> bool
8252 return _IMP_core.QuadraticClosePairsFinder_get_are_close_and_filtered(self, *args)
8254 def get_close_pairs(self, *args):
8256 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
8257 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
8258 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
8259 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
8261 return _IMP_core.QuadraticClosePairsFinder_get_close_pairs(self, *args)
8263 def do_get_inputs(self, m, pis):
8264 r"""do_get_inputs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8265 return _IMP_core.QuadraticClosePairsFinder_do_get_inputs(self, m, pis)
8267 def get_version_info(self):
8268 r"""get_version_info(QuadraticClosePairsFinder self) -> VersionInfo"""
8269 return _IMP_core.QuadraticClosePairsFinder_get_version_info(self)
8270 __swig_destroy__ = _IMP_core.delete_QuadraticClosePairsFinder
8273 r"""__str__(QuadraticClosePairsFinder self) -> std::string"""
8274 return _IMP_core.QuadraticClosePairsFinder___str__(self)
8277 r"""__repr__(QuadraticClosePairsFinder self) -> std::string"""
8278 return _IMP_core.QuadraticClosePairsFinder___repr__(self)
8282 return _object_cast_to_QuadraticClosePairsFinder(o)
8286 _IMP_core.QuadraticClosePairsFinder_swigregister(QuadraticClosePairsFinder)
8288 r"""Proxy of C++ IMP::core::RefinedPairsPairScore class."""
8290 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8292 def __init__(self, r, f):
8293 r"""__init__(RefinedPairsPairScore self, Refiner r, PairScore f) -> RefinedPairsPairScore"""
8294 _IMP_core.RefinedPairsPairScore_swiginit(self, _IMP_core.new_RefinedPairsPairScore(r, f))
8296 def do_get_inputs(self, m, pis):
8297 r"""do_get_inputs(RefinedPairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8298 return _IMP_core.RefinedPairsPairScore_do_get_inputs(self, m, pis)
8300 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
8301 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"""
8302 return _IMP_core.RefinedPairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
8304 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8305 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"""
8306 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
8308 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
8309 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"""
8310 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
8312 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8313 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"""
8314 return _IMP_core.RefinedPairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
8316 def get_version_info(self):
8317 r"""get_version_info(RefinedPairsPairScore self) -> VersionInfo"""
8318 return _IMP_core.RefinedPairsPairScore_get_version_info(self)
8319 __swig_destroy__ = _IMP_core.delete_RefinedPairsPairScore
8322 r"""__str__(RefinedPairsPairScore self) -> std::string"""
8323 return _IMP_core.RefinedPairsPairScore___str__(self)
8326 r"""__repr__(RefinedPairsPairScore self) -> std::string"""
8327 return _IMP_core.RefinedPairsPairScore___repr__(self)
8331 return _object_cast_to_RefinedPairsPairScore(o)
8335 _IMP_core.RefinedPairsPairScore_swigregister(RefinedPairsPairScore)
8336 class RigidBody(XYZ):
8337 r"""Proxy of C++ IMP::core::RigidBody class."""
8339 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8341 def get_rigid_members(self):
8342 r"""get_rigid_members(RigidBody self) -> IMP::core::RigidMembers"""
8343 return _IMP_core.RigidBody_get_rigid_members(self)
8346 def get_rotation_key():
8347 r"""get_rotation_key() -> Vector4DDerivKey"""
8348 return _IMP_core.RigidBody_get_rotation_key()
8350 def get_member_particle_indexes(self):
8351 r"""get_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
8352 return _IMP_core.RigidBody_get_member_particle_indexes(self)
8354 def get_body_member_particle_indexes(self):
8355 r"""get_body_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
8356 return _IMP_core.RigidBody_get_body_member_particle_indexes(self)
8358 def get_member_indexes(self):
8359 r"""get_member_indexes(RigidBody self) -> IMP::ParticleIndexes"""
8360 return _IMP_core.RigidBody_get_member_indexes(self)
8362 def show(self, *args):
8363 r"""show(RigidBody self, _ostream out=std::cout)"""
8364 return _IMP_core.RigidBody_show(self, *args)
8367 def setup_particle(*args):
8369 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor ps) -> RigidBody
8370 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor ps) -> RigidBody
8371 setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf) -> RigidBody
8372 setup_particle(_ParticleAdaptor pa, ReferenceFrame3D rf) -> RigidBody
8374 return _IMP_core.RigidBody_setup_particle(*args)
8377 def teardown_particle(rb):
8378 r"""teardown_particle(RigidBody rb)"""
8379 return _IMP_core.RigidBody_teardown_particle(rb)
8381 def __init__(self, *args):
8383 __init__(RigidBody self) -> RigidBody
8384 __init__(RigidBody self, Model m, ParticleIndex id) -> RigidBody
8385 __init__(RigidBody self, _ParticleAdaptor d) -> RigidBody
8386 __init__(RigidBody self, RigidBody arg2) -> RigidBody
8388 _IMP_core.RigidBody_swiginit(self, _IMP_core.new_RigidBody(*args))
8389 __swig_destroy__ = _IMP_core.delete_RigidBody
8392 def get_is_setup(*args):
8394 get_is_setup(_ParticleAdaptor p) -> bool
8395 get_is_setup(Model m, ParticleIndex pi) -> bool
8397 return _IMP_core.RigidBody_get_is_setup(*args)
8399 def get_coordinates(self):
8400 r"""get_coordinates(RigidBody self) -> Vector3D"""
8401 return _IMP_core.RigidBody_get_coordinates(self)
8403 def get_rotation(self):
8404 r"""get_rotation(RigidBody self) -> Rotation3D"""
8405 return _IMP_core.RigidBody_get_rotation(self)
8407 def get_reference_frame(self):
8408 r"""get_reference_frame(RigidBody self) -> ReferenceFrame3D"""
8409 return _IMP_core.RigidBody_get_reference_frame(self)
8411 def set_reference_frame(self, tr):
8412 r"""set_reference_frame(RigidBody self, ReferenceFrame3D tr)"""
8413 return _IMP_core.RigidBody_set_reference_frame(self, tr)
8415 def set_reference_frame_lazy(self, tr):
8416 r"""set_reference_frame_lazy(RigidBody self, ReferenceFrame3D tr)"""
8417 return _IMP_core.RigidBody_set_reference_frame_lazy(self, tr)
8419 def set_reference_frame_from_members(self, members):
8420 r"""set_reference_frame_from_members(RigidBody self, IMP::ParticleIndexes const & members)"""
8421 return _IMP_core.RigidBody_set_reference_frame_from_members(self, members)
8423 def pull_back_members_adjoints(self, da):
8424 r"""pull_back_members_adjoints(RigidBody self, DerivativeAccumulator da)"""
8425 return _IMP_core.RigidBody_pull_back_members_adjoints(self, da)
8427 def pull_back_member_adjoints(self, pi, da):
8428 r"""pull_back_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8429 return _IMP_core.RigidBody_pull_back_member_adjoints(self, pi, da)
8431 def pull_back_body_member_adjoints(self, pi, da):
8432 r"""pull_back_body_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8433 return _IMP_core.RigidBody_pull_back_body_member_adjoints(self, pi, da)
8435 def add_to_rotational_derivatives(self, qderiv, da):
8436 r"""add_to_rotational_derivatives(RigidBody self, Vector4D qderiv, DerivativeAccumulator da)"""
8437 return _IMP_core.RigidBody_add_to_rotational_derivatives(self, qderiv, da)
8439 def add_to_torque(self, torque_local, da):
8440 r"""add_to_torque(RigidBody self, Vector3D torque_local, DerivativeAccumulator da)"""
8441 return _IMP_core.RigidBody_add_to_torque(self, torque_local, da)
8443 def get_torque(self):
8444 r"""get_torque(RigidBody self) -> Vector3D"""
8445 return _IMP_core.RigidBody_get_torque(self)
8447 def get_coordinates_are_optimized(self):
8448 r"""get_coordinates_are_optimized(RigidBody self) -> bool"""
8449 return _IMP_core.RigidBody_get_coordinates_are_optimized(self)
8451 def set_coordinates_are_optimized(self, tf):
8452 r"""set_coordinates_are_optimized(RigidBody self, bool tf)"""
8453 return _IMP_core.RigidBody_set_coordinates_are_optimized(self, tf)
8455 def normalize_rotation(self):
8456 r"""normalize_rotation(RigidBody self)"""
8457 return _IMP_core.RigidBody_normalize_rotation(self)
8459 def update_members(self):
8460 r"""update_members(RigidBody self)"""
8461 return _IMP_core.RigidBody_update_members(self)
8463 def get_rotational_derivatives(self):
8464 r"""get_rotational_derivatives(RigidBody self) -> Vector4D"""
8465 return _IMP_core.RigidBody_get_rotational_derivatives(self)
8467 def get_number_of_members(self):
8468 r"""get_number_of_members(RigidBody self) -> unsigned int"""
8469 return _IMP_core.RigidBody_get_number_of_members(self)
8471 def get_member(self, i):
8472 r"""get_member(RigidBody self, unsigned int i) -> RigidBodyMember"""
8473 return _IMP_core.RigidBody_get_member(self, i)
8475 def add_member(self, p):
8476 r"""add_member(RigidBody self, _ParticleIndexAdaptor p)"""
8477 return _IMP_core.RigidBody_add_member(self, p)
8479 def add_non_rigid_member(self, p):
8480 r"""add_non_rigid_member(RigidBody self, _ParticleIndexAdaptor p)"""
8481 return _IMP_core.RigidBody_add_non_rigid_member(self, p)
8483 def set_is_rigid_member(self, pi, tf):
8484 r"""set_is_rigid_member(RigidBody self, ParticleIndex pi, bool tf)"""
8485 return _IMP_core.RigidBody_set_is_rigid_member(self, pi, tf)
8487 def remove_member(self, p):
8488 r"""remove_member(RigidBody self, _ParticleIndexAdaptor p)"""
8489 return _IMP_core.RigidBody_remove_member(self, p)
8491 def add_attribute(self, *args):
8493 add_attribute(RigidBody self, FloatKey k, IMP::Float v, bool opt)
8494 add_attribute(RigidBody self, FloatKey a0, IMP::Float a1)
8495 add_attribute(RigidBody self, IntKey a0, IMP::Int a1)
8496 add_attribute(RigidBody self, FloatsKey a0, IMP::Floats a1)
8497 add_attribute(RigidBody self, IntsKey a0, IMP::Ints a1)
8498 add_attribute(RigidBody self, StringKey a0, IMP::String a1)
8499 add_attribute(RigidBody self, ParticleIndexKey a0, Particle a1)
8500 add_attribute(RigidBody self, ObjectKey a0, Object a1)
8501 add_attribute(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8502 add_attribute(RigidBody self, SparseIntKey a0, IMP::Int a1)
8503 add_attribute(RigidBody self, SparseStringKey a0, IMP::String a1)
8504 add_attribute(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8506 return _IMP_core.RigidBody_add_attribute(self, *args)
8508 def get_value(self, *args):
8510 get_value(RigidBody self, FloatKey a0) -> IMP::Float
8511 get_value(RigidBody self, IntKey a0) -> IMP::Int
8512 get_value(RigidBody self, FloatsKey a0) -> IMP::Floats
8513 get_value(RigidBody self, IntsKey a0) -> IMP::Ints
8514 get_value(RigidBody self, StringKey a0) -> IMP::String
8515 get_value(RigidBody self, ParticleIndexKey a0) -> Particle
8516 get_value(RigidBody self, ObjectKey a0) -> Object
8517 get_value(RigidBody self, SparseFloatKey a0) -> IMP::Float
8518 get_value(RigidBody self, SparseIntKey a0) -> IMP::Int
8519 get_value(RigidBody self, SparseStringKey a0) -> IMP::String
8520 get_value(RigidBody self, SparseParticleIndexKey a0) -> ParticleIndex
8522 return _IMP_core.RigidBody_get_value(self, *args)
8524 def set_value(self, *args):
8526 set_value(RigidBody self, FloatKey a0, IMP::Float a1)
8527 set_value(RigidBody self, IntKey a0, IMP::Int a1)
8528 set_value(RigidBody self, FloatsKey a0, IMP::Floats a1)
8529 set_value(RigidBody self, IntsKey a0, IMP::Ints a1)
8530 set_value(RigidBody self, StringKey a0, IMP::String a1)
8531 set_value(RigidBody self, ParticleIndexKey a0, Particle a1)
8532 set_value(RigidBody self, ObjectKey a0, Object a1)
8533 set_value(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8534 set_value(RigidBody self, SparseIntKey a0, IMP::Int a1)
8535 set_value(RigidBody self, SparseStringKey a0, IMP::String a1)
8536 set_value(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8538 return _IMP_core.RigidBody_set_value(self, *args)
8540 def remove_attribute(self, *args):
8542 remove_attribute(RigidBody self, FloatKey a0)
8543 remove_attribute(RigidBody self, IntKey a0)
8544 remove_attribute(RigidBody self, FloatsKey a0)
8545 remove_attribute(RigidBody self, IntsKey a0)
8546 remove_attribute(RigidBody self, StringKey a0)
8547 remove_attribute(RigidBody self, ParticleIndexKey a0)
8548 remove_attribute(RigidBody self, ObjectKey a0)
8549 remove_attribute(RigidBody self, SparseFloatKey a0)
8550 remove_attribute(RigidBody self, SparseIntKey a0)
8551 remove_attribute(RigidBody self, SparseStringKey a0)
8552 remove_attribute(RigidBody self, SparseParticleIndexKey a0)
8554 return _IMP_core.RigidBody_remove_attribute(self, *args)
8556 def has_attribute(self, *args):
8558 has_attribute(RigidBody self, FloatKey a0) -> bool
8559 has_attribute(RigidBody self, IntKey a0) -> bool
8560 has_attribute(RigidBody self, FloatsKey a0) -> bool
8561 has_attribute(RigidBody self, IntsKey a0) -> bool
8562 has_attribute(RigidBody self, StringKey a0) -> bool
8563 has_attribute(RigidBody self, ParticleIndexKey a0) -> bool
8564 has_attribute(RigidBody self, ObjectKey a0) -> bool
8565 has_attribute(RigidBody self, SparseFloatKey a0) -> bool
8566 has_attribute(RigidBody self, SparseIntKey a0) -> bool
8567 has_attribute(RigidBody self, SparseStringKey a0) -> bool
8568 has_attribute(RigidBody self, SparseParticleIndexKey a0) -> bool
8570 return _IMP_core.RigidBody_has_attribute(self, *args)
8572 def get_derivative(self, a0):
8573 r"""get_derivative(RigidBody self, FloatKey a0) -> double"""
8574 return _IMP_core.RigidBody_get_derivative(self, a0)
8577 r"""get_name(RigidBody self) -> std::string"""
8578 return _IMP_core.RigidBody_get_name(self)
8580 def clear_caches(self):
8581 r"""clear_caches(RigidBody self)"""
8582 return _IMP_core.RigidBody_clear_caches(self)
8584 def set_name(self, a0):
8585 r"""set_name(RigidBody self, std::string a0)"""
8586 return _IMP_core.RigidBody_set_name(self, a0)
8589 r"""set_check_level(RigidBody self, IMP::CheckLevel a0)"""
8590 return _IMP_core.RigidBody_set_check_level(self, a0)
8592 def add_to_derivative(self, a0, a1, a2):
8593 r"""add_to_derivative(RigidBody self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8594 return _IMP_core.RigidBody_add_to_derivative(self, a0, a1, a2)
8596 def set_is_optimized(self, a0, a1):
8597 r"""set_is_optimized(RigidBody self, FloatKey a0, bool a1)"""
8598 return _IMP_core.RigidBody_set_is_optimized(self, a0, a1)
8600 def get_is_optimized(self, a0):
8601 r"""get_is_optimized(RigidBody self, FloatKey a0) -> bool"""
8602 return _IMP_core.RigidBody_get_is_optimized(self, a0)
8605 r"""get_check_level(RigidBody self) -> IMP::CheckLevel"""
8606 return _IMP_core.RigidBody_get_check_level(self)
8608 def __eq__(self, *args):
8610 __eq__(RigidBody self, RigidBody o) -> bool
8611 __eq__(RigidBody self, Particle d) -> bool
8613 return _IMP_core.RigidBody___eq__(self, *args)
8615 def __ne__(self, *args):
8617 __ne__(RigidBody self, RigidBody o) -> bool
8618 __ne__(RigidBody self, Particle d) -> bool
8620 return _IMP_core.RigidBody___ne__(self, *args)
8622 def __le__(self, *args):
8624 __le__(RigidBody self, RigidBody o) -> bool
8625 __le__(RigidBody self, Particle d) -> bool
8627 return _IMP_core.RigidBody___le__(self, *args)
8629 def __lt__(self, *args):
8631 __lt__(RigidBody self, RigidBody o) -> bool
8632 __lt__(RigidBody self, Particle d) -> bool
8634 return _IMP_core.RigidBody___lt__(self, *args)
8636 def __ge__(self, *args):
8638 __ge__(RigidBody self, RigidBody o) -> bool
8639 __ge__(RigidBody self, Particle d) -> bool
8641 return _IMP_core.RigidBody___ge__(self, *args)
8643 def __gt__(self, *args):
8645 __gt__(RigidBody self, RigidBody o) -> bool
8646 __gt__(RigidBody self, Particle d) -> bool
8648 return _IMP_core.RigidBody___gt__(self, *args)
8651 r"""__hash__(RigidBody self) -> std::size_t"""
8652 return _IMP_core.RigidBody___hash__(self)
8655 r"""__str__(RigidBody self) -> std::string"""
8656 return _IMP_core.RigidBody___str__(self)
8659 r"""__repr__(RigidBody self) -> std::string"""
8660 return _IMP_core.RigidBody___repr__(self)
8662 def _get_as_binary(self):
8663 r"""_get_as_binary(RigidBody self) -> PyObject *"""
8664 return _IMP_core.RigidBody__get_as_binary(self)
8666 def _set_from_binary(self, p):
8667 r"""_set_from_binary(RigidBody self, PyObject * p)"""
8668 return _IMP_core.RigidBody__set_from_binary(self, p)
8670 def __getstate__(self):
8671 p = self._get_as_binary()
8672 if len(self.__dict__) > 1:
8673 d = self.__dict__.copy()
8678 def __setstate__(self, p):
8679 if not hasattr(self,
'this'):
8681 if isinstance(p, tuple):
8683 self.__dict__.update(d)
8684 return self._set_from_binary(p)
8688 _IMP_core.RigidBody_swigregister(RigidBody)
8691 r"""add_rigid_body_cache_key(ObjectKey k)"""
8692 return _IMP_core.add_rigid_body_cache_key(k)
8693 class RigidBodyMember(XYZ):
8694 r"""Proxy of C++ IMP::core::RigidBodyMember class."""
8696 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8698 def show(self, *args):
8699 r"""show(RigidBodyMember self, _ostream out=std::cout)"""
8700 return _IMP_core.RigidBodyMember_show(self, *args)
8702 def get_rigid_body(self):
8703 r"""get_rigid_body(RigidBodyMember self) -> RigidBody"""
8704 return _IMP_core.RigidBodyMember_get_rigid_body(self)
8706 def get_internal_coordinates(self):
8707 r"""get_internal_coordinates(RigidBodyMember self) -> Vector3D"""
8708 return _IMP_core.RigidBodyMember_get_internal_coordinates(self)
8710 def set_internal_coordinates(self, v):
8711 r"""set_internal_coordinates(RigidBodyMember self, Vector3D v)"""
8712 return _IMP_core.RigidBodyMember_set_internal_coordinates(self, v)
8714 def set_internal_transformation(self, v):
8715 r"""set_internal_transformation(RigidBodyMember self, Transformation3D v)"""
8716 return _IMP_core.RigidBodyMember_set_internal_transformation(self, v)
8718 def get_internal_transformation(self):
8719 r"""get_internal_transformation(RigidBodyMember self) -> Transformation3D"""
8720 return _IMP_core.RigidBodyMember_get_internal_transformation(self)
8721 __swig_destroy__ = _IMP_core.delete_RigidBodyMember
8723 def set_coordinates(self, *args):
8725 set_coordinates(RigidBodyMember self, Vector3D center)
8726 set_coordinates(RigidBodyMember self, Transformation3D tr)
8728 return _IMP_core.RigidBodyMember_set_coordinates(self, *args)
8730 def __init__(self, *args):
8732 __init__(RigidBodyMember self) -> RigidBodyMember
8733 __init__(RigidBodyMember self, Model m, ParticleIndex id) -> RigidBodyMember
8734 __init__(RigidBodyMember self, _ParticleAdaptor d) -> RigidBodyMember
8735 __init__(RigidBodyMember self, RigidBodyMember arg2) -> RigidBodyMember
8737 _IMP_core.RigidBodyMember_swiginit(self, _IMP_core.new_RigidBodyMember(*args))
8740 def get_is_setup(*args):
8742 get_is_setup(_ParticleAdaptor p) -> bool
8743 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
8745 return _IMP_core.RigidBodyMember_get_is_setup(*args)
8748 def get_internal_coordinate_keys():
8749 r"""get_internal_coordinate_keys() -> IMP::FloatKeys"""
8750 return _IMP_core.RigidBodyMember_get_internal_coordinate_keys()
8753 def get_internal_rotation_key():
8754 r"""get_internal_rotation_key() -> Vector4DDerivKey"""
8755 return _IMP_core.RigidBodyMember_get_internal_rotation_key()
8757 def add_attribute(self, *args):
8759 add_attribute(RigidBodyMember self, FloatKey k, IMP::Float v, bool opt)
8760 add_attribute(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8761 add_attribute(RigidBodyMember self, IntKey a0, IMP::Int a1)
8762 add_attribute(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8763 add_attribute(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8764 add_attribute(RigidBodyMember self, StringKey a0, IMP::String a1)
8765 add_attribute(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8766 add_attribute(RigidBodyMember self, ObjectKey a0, Object a1)
8767 add_attribute(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8768 add_attribute(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8769 add_attribute(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8770 add_attribute(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8772 return _IMP_core.RigidBodyMember_add_attribute(self, *args)
8774 def get_value(self, *args):
8776 get_value(RigidBodyMember self, FloatKey a0) -> IMP::Float
8777 get_value(RigidBodyMember self, IntKey a0) -> IMP::Int
8778 get_value(RigidBodyMember self, FloatsKey a0) -> IMP::Floats
8779 get_value(RigidBodyMember self, IntsKey a0) -> IMP::Ints
8780 get_value(RigidBodyMember self, StringKey a0) -> IMP::String
8781 get_value(RigidBodyMember self, ParticleIndexKey a0) -> Particle
8782 get_value(RigidBodyMember self, ObjectKey a0) -> Object
8783 get_value(RigidBodyMember self, SparseFloatKey a0) -> IMP::Float
8784 get_value(RigidBodyMember self, SparseIntKey a0) -> IMP::Int
8785 get_value(RigidBodyMember self, SparseStringKey a0) -> IMP::String
8786 get_value(RigidBodyMember self, SparseParticleIndexKey a0) -> ParticleIndex
8788 return _IMP_core.RigidBodyMember_get_value(self, *args)
8790 def set_value(self, *args):
8792 set_value(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8793 set_value(RigidBodyMember self, IntKey a0, IMP::Int a1)
8794 set_value(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8795 set_value(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8796 set_value(RigidBodyMember self, StringKey a0, IMP::String a1)
8797 set_value(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8798 set_value(RigidBodyMember self, ObjectKey a0, Object a1)
8799 set_value(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8800 set_value(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8801 set_value(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8802 set_value(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8804 return _IMP_core.RigidBodyMember_set_value(self, *args)
8806 def remove_attribute(self, *args):
8808 remove_attribute(RigidBodyMember self, FloatKey a0)
8809 remove_attribute(RigidBodyMember self, IntKey a0)
8810 remove_attribute(RigidBodyMember self, FloatsKey a0)
8811 remove_attribute(RigidBodyMember self, IntsKey a0)
8812 remove_attribute(RigidBodyMember self, StringKey a0)
8813 remove_attribute(RigidBodyMember self, ParticleIndexKey a0)
8814 remove_attribute(RigidBodyMember self, ObjectKey a0)
8815 remove_attribute(RigidBodyMember self, SparseFloatKey a0)
8816 remove_attribute(RigidBodyMember self, SparseIntKey a0)
8817 remove_attribute(RigidBodyMember self, SparseStringKey a0)
8818 remove_attribute(RigidBodyMember self, SparseParticleIndexKey a0)
8820 return _IMP_core.RigidBodyMember_remove_attribute(self, *args)
8822 def has_attribute(self, *args):
8824 has_attribute(RigidBodyMember self, FloatKey a0) -> bool
8825 has_attribute(RigidBodyMember self, IntKey a0) -> bool
8826 has_attribute(RigidBodyMember self, FloatsKey a0) -> bool
8827 has_attribute(RigidBodyMember self, IntsKey a0) -> bool
8828 has_attribute(RigidBodyMember self, StringKey a0) -> bool
8829 has_attribute(RigidBodyMember self, ParticleIndexKey a0) -> bool
8830 has_attribute(RigidBodyMember self, ObjectKey a0) -> bool
8831 has_attribute(RigidBodyMember self, SparseFloatKey a0) -> bool
8832 has_attribute(RigidBodyMember self, SparseIntKey a0) -> bool
8833 has_attribute(RigidBodyMember self, SparseStringKey a0) -> bool
8834 has_attribute(RigidBodyMember self, SparseParticleIndexKey a0) -> bool
8836 return _IMP_core.RigidBodyMember_has_attribute(self, *args)
8838 def get_derivative(self, a0):
8839 r"""get_derivative(RigidBodyMember self, FloatKey a0) -> double"""
8840 return _IMP_core.RigidBodyMember_get_derivative(self, a0)
8843 r"""get_name(RigidBodyMember self) -> std::string"""
8844 return _IMP_core.RigidBodyMember_get_name(self)
8846 def clear_caches(self):
8847 r"""clear_caches(RigidBodyMember self)"""
8848 return _IMP_core.RigidBodyMember_clear_caches(self)
8850 def set_name(self, a0):
8851 r"""set_name(RigidBodyMember self, std::string a0)"""
8852 return _IMP_core.RigidBodyMember_set_name(self, a0)
8855 r"""set_check_level(RigidBodyMember self, IMP::CheckLevel a0)"""
8856 return _IMP_core.RigidBodyMember_set_check_level(self, a0)
8858 def add_to_derivative(self, a0, a1, a2):
8859 r"""add_to_derivative(RigidBodyMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8860 return _IMP_core.RigidBodyMember_add_to_derivative(self, a0, a1, a2)
8862 def set_is_optimized(self, a0, a1):
8863 r"""set_is_optimized(RigidBodyMember self, FloatKey a0, bool a1)"""
8864 return _IMP_core.RigidBodyMember_set_is_optimized(self, a0, a1)
8866 def get_is_optimized(self, a0):
8867 r"""get_is_optimized(RigidBodyMember self, FloatKey a0) -> bool"""
8868 return _IMP_core.RigidBodyMember_get_is_optimized(self, a0)
8871 r"""get_check_level(RigidBodyMember self) -> IMP::CheckLevel"""
8872 return _IMP_core.RigidBodyMember_get_check_level(self)
8874 def __eq__(self, *args):
8876 __eq__(RigidBodyMember self, RigidBodyMember o) -> bool
8877 __eq__(RigidBodyMember self, Particle d) -> bool
8879 return _IMP_core.RigidBodyMember___eq__(self, *args)
8881 def __ne__(self, *args):
8883 __ne__(RigidBodyMember self, RigidBodyMember o) -> bool
8884 __ne__(RigidBodyMember self, Particle d) -> bool
8886 return _IMP_core.RigidBodyMember___ne__(self, *args)
8888 def __le__(self, *args):
8890 __le__(RigidBodyMember self, RigidBodyMember o) -> bool
8891 __le__(RigidBodyMember self, Particle d) -> bool
8893 return _IMP_core.RigidBodyMember___le__(self, *args)
8895 def __lt__(self, *args):
8897 __lt__(RigidBodyMember self, RigidBodyMember o) -> bool
8898 __lt__(RigidBodyMember self, Particle d) -> bool
8900 return _IMP_core.RigidBodyMember___lt__(self, *args)
8902 def __ge__(self, *args):
8904 __ge__(RigidBodyMember self, RigidBodyMember o) -> bool
8905 __ge__(RigidBodyMember self, Particle d) -> bool
8907 return _IMP_core.RigidBodyMember___ge__(self, *args)
8909 def __gt__(self, *args):
8911 __gt__(RigidBodyMember self, RigidBodyMember o) -> bool
8912 __gt__(RigidBodyMember self, Particle d) -> bool
8914 return _IMP_core.RigidBodyMember___gt__(self, *args)
8917 r"""__hash__(RigidBodyMember self) -> std::size_t"""
8918 return _IMP_core.RigidBodyMember___hash__(self)
8921 r"""__str__(RigidBodyMember self) -> std::string"""
8922 return _IMP_core.RigidBodyMember___str__(self)
8925 r"""__repr__(RigidBodyMember self) -> std::string"""
8926 return _IMP_core.RigidBodyMember___repr__(self)
8928 def _get_as_binary(self):
8929 r"""_get_as_binary(RigidBodyMember self) -> PyObject *"""
8930 return _IMP_core.RigidBodyMember__get_as_binary(self)
8932 def _set_from_binary(self, p):
8933 r"""_set_from_binary(RigidBodyMember self, PyObject * p)"""
8934 return _IMP_core.RigidBodyMember__set_from_binary(self, p)
8936 def __getstate__(self):
8937 p = self._get_as_binary()
8938 if len(self.__dict__) > 1:
8939 d = self.__dict__.copy()
8944 def __setstate__(self, p):
8945 if not hasattr(self,
'this'):
8947 if isinstance(p, tuple):
8949 self.__dict__.update(d)
8950 return self._set_from_binary(p)
8954 _IMP_core.RigidBodyMember_swigregister(RigidBodyMember)
8955 class RigidMember(RigidBodyMember):
8956 r"""Proxy of C++ IMP::core::RigidMember class."""
8958 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8960 def show(self, *args):
8961 r"""show(RigidMember self, _ostream out=std::cout)"""
8962 return _IMP_core.RigidMember_show(self, *args)
8964 def __init__(self, *args):
8966 __init__(RigidMember self) -> RigidMember
8967 __init__(RigidMember self, Model m, ParticleIndex id) -> RigidMember
8968 __init__(RigidMember self, _ParticleAdaptor d) -> RigidMember
8969 __init__(RigidMember self, RigidMember arg2) -> RigidMember
8971 _IMP_core.RigidMember_swiginit(self, _IMP_core.new_RigidMember(*args))
8972 __swig_destroy__ = _IMP_core.delete_RigidMember
8975 def get_is_setup(*args):
8977 get_is_setup(_ParticleAdaptor p) -> bool
8978 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
8980 return _IMP_core.RigidMember_get_is_setup(*args)
8982 def add_attribute(self, *args):
8984 add_attribute(RigidMember self, FloatKey k, IMP::Float v, bool opt)
8985 add_attribute(RigidMember self, FloatKey a0, IMP::Float a1)
8986 add_attribute(RigidMember self, IntKey a0, IMP::Int a1)
8987 add_attribute(RigidMember self, FloatsKey a0, IMP::Floats a1)
8988 add_attribute(RigidMember self, IntsKey a0, IMP::Ints a1)
8989 add_attribute(RigidMember self, StringKey a0, IMP::String a1)
8990 add_attribute(RigidMember self, ParticleIndexKey a0, Particle a1)
8991 add_attribute(RigidMember self, ObjectKey a0, Object a1)
8992 add_attribute(RigidMember self, SparseFloatKey a0, IMP::Float a1)
8993 add_attribute(RigidMember self, SparseIntKey a0, IMP::Int a1)
8994 add_attribute(RigidMember self, SparseStringKey a0, IMP::String a1)
8995 add_attribute(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8997 return _IMP_core.RigidMember_add_attribute(self, *args)
8999 def get_value(self, *args):
9001 get_value(RigidMember self, FloatKey a0) -> IMP::Float
9002 get_value(RigidMember self, IntKey a0) -> IMP::Int
9003 get_value(RigidMember self, FloatsKey a0) -> IMP::Floats
9004 get_value(RigidMember self, IntsKey a0) -> IMP::Ints
9005 get_value(RigidMember self, StringKey a0) -> IMP::String
9006 get_value(RigidMember self, ParticleIndexKey a0) -> Particle
9007 get_value(RigidMember self, ObjectKey a0) -> Object
9008 get_value(RigidMember self, SparseFloatKey a0) -> IMP::Float
9009 get_value(RigidMember self, SparseIntKey a0) -> IMP::Int
9010 get_value(RigidMember self, SparseStringKey a0) -> IMP::String
9011 get_value(RigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
9013 return _IMP_core.RigidMember_get_value(self, *args)
9015 def set_value(self, *args):
9017 set_value(RigidMember self, FloatKey a0, IMP::Float a1)
9018 set_value(RigidMember self, IntKey a0, IMP::Int a1)
9019 set_value(RigidMember self, FloatsKey a0, IMP::Floats a1)
9020 set_value(RigidMember self, IntsKey a0, IMP::Ints a1)
9021 set_value(RigidMember self, StringKey a0, IMP::String a1)
9022 set_value(RigidMember self, ParticleIndexKey a0, Particle a1)
9023 set_value(RigidMember self, ObjectKey a0, Object a1)
9024 set_value(RigidMember self, SparseFloatKey a0, IMP::Float a1)
9025 set_value(RigidMember self, SparseIntKey a0, IMP::Int a1)
9026 set_value(RigidMember self, SparseStringKey a0, IMP::String a1)
9027 set_value(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
9029 return _IMP_core.RigidMember_set_value(self, *args)
9031 def remove_attribute(self, *args):
9033 remove_attribute(RigidMember self, FloatKey a0)
9034 remove_attribute(RigidMember self, IntKey a0)
9035 remove_attribute(RigidMember self, FloatsKey a0)
9036 remove_attribute(RigidMember self, IntsKey a0)
9037 remove_attribute(RigidMember self, StringKey a0)
9038 remove_attribute(RigidMember self, ParticleIndexKey a0)
9039 remove_attribute(RigidMember self, ObjectKey a0)
9040 remove_attribute(RigidMember self, SparseFloatKey a0)
9041 remove_attribute(RigidMember self, SparseIntKey a0)
9042 remove_attribute(RigidMember self, SparseStringKey a0)
9043 remove_attribute(RigidMember self, SparseParticleIndexKey a0)
9045 return _IMP_core.RigidMember_remove_attribute(self, *args)
9047 def has_attribute(self, *args):
9049 has_attribute(RigidMember self, FloatKey a0) -> bool
9050 has_attribute(RigidMember self, IntKey a0) -> bool
9051 has_attribute(RigidMember self, FloatsKey a0) -> bool
9052 has_attribute(RigidMember self, IntsKey a0) -> bool
9053 has_attribute(RigidMember self, StringKey a0) -> bool
9054 has_attribute(RigidMember self, ParticleIndexKey a0) -> bool
9055 has_attribute(RigidMember self, ObjectKey a0) -> bool
9056 has_attribute(RigidMember self, SparseFloatKey a0) -> bool
9057 has_attribute(RigidMember self, SparseIntKey a0) -> bool
9058 has_attribute(RigidMember self, SparseStringKey a0) -> bool
9059 has_attribute(RigidMember self, SparseParticleIndexKey a0) -> bool
9061 return _IMP_core.RigidMember_has_attribute(self, *args)
9063 def get_derivative(self, a0):
9064 r"""get_derivative(RigidMember self, FloatKey a0) -> double"""
9065 return _IMP_core.RigidMember_get_derivative(self, a0)
9068 r"""get_name(RigidMember self) -> std::string"""
9069 return _IMP_core.RigidMember_get_name(self)
9071 def clear_caches(self):
9072 r"""clear_caches(RigidMember self)"""
9073 return _IMP_core.RigidMember_clear_caches(self)
9075 def set_name(self, a0):
9076 r"""set_name(RigidMember self, std::string a0)"""
9077 return _IMP_core.RigidMember_set_name(self, a0)
9080 r"""set_check_level(RigidMember self, IMP::CheckLevel a0)"""
9081 return _IMP_core.RigidMember_set_check_level(self, a0)
9083 def add_to_derivative(self, a0, a1, a2):
9084 r"""add_to_derivative(RigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9085 return _IMP_core.RigidMember_add_to_derivative(self, a0, a1, a2)
9087 def set_is_optimized(self, a0, a1):
9088 r"""set_is_optimized(RigidMember self, FloatKey a0, bool a1)"""
9089 return _IMP_core.RigidMember_set_is_optimized(self, a0, a1)
9091 def get_is_optimized(self, a0):
9092 r"""get_is_optimized(RigidMember self, FloatKey a0) -> bool"""
9093 return _IMP_core.RigidMember_get_is_optimized(self, a0)
9096 r"""get_check_level(RigidMember self) -> IMP::CheckLevel"""
9097 return _IMP_core.RigidMember_get_check_level(self)
9099 def __eq__(self, *args):
9101 __eq__(RigidMember self, RigidMember o) -> bool
9102 __eq__(RigidMember self, Particle d) -> bool
9104 return _IMP_core.RigidMember___eq__(self, *args)
9106 def __ne__(self, *args):
9108 __ne__(RigidMember self, RigidMember o) -> bool
9109 __ne__(RigidMember self, Particle d) -> bool
9111 return _IMP_core.RigidMember___ne__(self, *args)
9113 def __le__(self, *args):
9115 __le__(RigidMember self, RigidMember o) -> bool
9116 __le__(RigidMember self, Particle d) -> bool
9118 return _IMP_core.RigidMember___le__(self, *args)
9120 def __lt__(self, *args):
9122 __lt__(RigidMember self, RigidMember o) -> bool
9123 __lt__(RigidMember self, Particle d) -> bool
9125 return _IMP_core.RigidMember___lt__(self, *args)
9127 def __ge__(self, *args):
9129 __ge__(RigidMember self, RigidMember o) -> bool
9130 __ge__(RigidMember self, Particle d) -> bool
9132 return _IMP_core.RigidMember___ge__(self, *args)
9134 def __gt__(self, *args):
9136 __gt__(RigidMember self, RigidMember o) -> bool
9137 __gt__(RigidMember self, Particle d) -> bool
9139 return _IMP_core.RigidMember___gt__(self, *args)
9142 r"""__hash__(RigidMember self) -> std::size_t"""
9143 return _IMP_core.RigidMember___hash__(self)
9146 r"""__str__(RigidMember self) -> std::string"""
9147 return _IMP_core.RigidMember___str__(self)
9150 r"""__repr__(RigidMember self) -> std::string"""
9151 return _IMP_core.RigidMember___repr__(self)
9153 def _get_as_binary(self):
9154 r"""_get_as_binary(RigidMember self) -> PyObject *"""
9155 return _IMP_core.RigidMember__get_as_binary(self)
9157 def _set_from_binary(self, p):
9158 r"""_set_from_binary(RigidMember self, PyObject * p)"""
9159 return _IMP_core.RigidMember__set_from_binary(self, p)
9161 def __getstate__(self):
9162 p = self._get_as_binary()
9163 if len(self.__dict__) > 1:
9164 d = self.__dict__.copy()
9169 def __setstate__(self, p):
9170 if not hasattr(self,
'this'):
9172 if isinstance(p, tuple):
9174 self.__dict__.update(d)
9175 return self._set_from_binary(p)
9179 _IMP_core.RigidMember_swigregister(RigidMember)
9180 class NonRigidMember(RigidBodyMember):
9181 r"""Proxy of C++ IMP::core::NonRigidMember class."""
9183 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9185 def show(self, *args):
9186 r"""show(NonRigidMember self, _ostream out=std::cout)"""
9187 return _IMP_core.NonRigidMember_show(self, *args)
9189 def __init__(self, *args):
9191 __init__(NonRigidMember self) -> NonRigidMember
9192 __init__(NonRigidMember self, Model m, ParticleIndex id) -> NonRigidMember
9193 __init__(NonRigidMember self, _ParticleAdaptor d) -> NonRigidMember
9194 __init__(NonRigidMember self, NonRigidMember arg2) -> NonRigidMember
9196 _IMP_core.NonRigidMember_swiginit(self, _IMP_core.new_NonRigidMember(*args))
9197 __swig_destroy__ = _IMP_core.delete_NonRigidMember
9200 def get_is_setup(*args):
9202 get_is_setup(_ParticleAdaptor p) -> bool
9203 get_is_setup(Model m, ParticleIndex p) -> bool
9205 return _IMP_core.NonRigidMember_get_is_setup(*args)
9207 def add_to_internal_derivatives(self, deriv_parent, da):
9208 r"""add_to_internal_derivatives(NonRigidMember self, Vector3D deriv_parent, DerivativeAccumulator da)"""
9209 return _IMP_core.NonRigidMember_add_to_internal_derivatives(self, deriv_parent, da)
9211 def add_to_internal_rotational_derivatives(self, qderiv, da):
9212 r"""add_to_internal_rotational_derivatives(NonRigidMember self, Vector4D qderiv, DerivativeAccumulator da)"""
9213 return _IMP_core.NonRigidMember_add_to_internal_rotational_derivatives(self, qderiv, da)
9215 def get_internal_derivatives(self):
9216 r"""get_internal_derivatives(NonRigidMember self) -> Vector3D"""
9217 return _IMP_core.NonRigidMember_get_internal_derivatives(self)
9219 def get_internal_rotational_derivatives(self):
9220 r"""get_internal_rotational_derivatives(NonRigidMember self) -> Vector4D"""
9221 return _IMP_core.NonRigidMember_get_internal_rotational_derivatives(self)
9223 def add_attribute(self, *args):
9225 add_attribute(NonRigidMember self, FloatKey k, IMP::Float v, bool opt)
9226 add_attribute(NonRigidMember self, FloatKey a0, IMP::Float a1)
9227 add_attribute(NonRigidMember self, IntKey a0, IMP::Int a1)
9228 add_attribute(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
9229 add_attribute(NonRigidMember self, IntsKey a0, IMP::Ints a1)
9230 add_attribute(NonRigidMember self, StringKey a0, IMP::String a1)
9231 add_attribute(NonRigidMember self, ParticleIndexKey a0, Particle a1)
9232 add_attribute(NonRigidMember self, ObjectKey a0, Object a1)
9233 add_attribute(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
9234 add_attribute(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
9235 add_attribute(NonRigidMember self, SparseStringKey a0, IMP::String a1)
9236 add_attribute(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
9238 return _IMP_core.NonRigidMember_add_attribute(self, *args)
9240 def get_value(self, *args):
9242 get_value(NonRigidMember self, FloatKey a0) -> IMP::Float
9243 get_value(NonRigidMember self, IntKey a0) -> IMP::Int
9244 get_value(NonRigidMember self, FloatsKey a0) -> IMP::Floats
9245 get_value(NonRigidMember self, IntsKey a0) -> IMP::Ints
9246 get_value(NonRigidMember self, StringKey a0) -> IMP::String
9247 get_value(NonRigidMember self, ParticleIndexKey a0) -> Particle
9248 get_value(NonRigidMember self, ObjectKey a0) -> Object
9249 get_value(NonRigidMember self, SparseFloatKey a0) -> IMP::Float
9250 get_value(NonRigidMember self, SparseIntKey a0) -> IMP::Int
9251 get_value(NonRigidMember self, SparseStringKey a0) -> IMP::String
9252 get_value(NonRigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
9254 return _IMP_core.NonRigidMember_get_value(self, *args)
9256 def set_value(self, *args):
9258 set_value(NonRigidMember self, FloatKey a0, IMP::Float a1)
9259 set_value(NonRigidMember self, IntKey a0, IMP::Int a1)
9260 set_value(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
9261 set_value(NonRigidMember self, IntsKey a0, IMP::Ints a1)
9262 set_value(NonRigidMember self, StringKey a0, IMP::String a1)
9263 set_value(NonRigidMember self, ParticleIndexKey a0, Particle a1)
9264 set_value(NonRigidMember self, ObjectKey a0, Object a1)
9265 set_value(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
9266 set_value(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
9267 set_value(NonRigidMember self, SparseStringKey a0, IMP::String a1)
9268 set_value(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
9270 return _IMP_core.NonRigidMember_set_value(self, *args)
9272 def remove_attribute(self, *args):
9274 remove_attribute(NonRigidMember self, FloatKey a0)
9275 remove_attribute(NonRigidMember self, IntKey a0)
9276 remove_attribute(NonRigidMember self, FloatsKey a0)
9277 remove_attribute(NonRigidMember self, IntsKey a0)
9278 remove_attribute(NonRigidMember self, StringKey a0)
9279 remove_attribute(NonRigidMember self, ParticleIndexKey a0)
9280 remove_attribute(NonRigidMember self, ObjectKey a0)
9281 remove_attribute(NonRigidMember self, SparseFloatKey a0)
9282 remove_attribute(NonRigidMember self, SparseIntKey a0)
9283 remove_attribute(NonRigidMember self, SparseStringKey a0)
9284 remove_attribute(NonRigidMember self, SparseParticleIndexKey a0)
9286 return _IMP_core.NonRigidMember_remove_attribute(self, *args)
9288 def has_attribute(self, *args):
9290 has_attribute(NonRigidMember self, FloatKey a0) -> bool
9291 has_attribute(NonRigidMember self, IntKey a0) -> bool
9292 has_attribute(NonRigidMember self, FloatsKey a0) -> bool
9293 has_attribute(NonRigidMember self, IntsKey a0) -> bool
9294 has_attribute(NonRigidMember self, StringKey a0) -> bool
9295 has_attribute(NonRigidMember self, ParticleIndexKey a0) -> bool
9296 has_attribute(NonRigidMember self, ObjectKey a0) -> bool
9297 has_attribute(NonRigidMember self, SparseFloatKey a0) -> bool
9298 has_attribute(NonRigidMember self, SparseIntKey a0) -> bool
9299 has_attribute(NonRigidMember self, SparseStringKey a0) -> bool
9300 has_attribute(NonRigidMember self, SparseParticleIndexKey a0) -> bool
9302 return _IMP_core.NonRigidMember_has_attribute(self, *args)
9304 def get_derivative(self, a0):
9305 r"""get_derivative(NonRigidMember self, FloatKey a0) -> double"""
9306 return _IMP_core.NonRigidMember_get_derivative(self, a0)
9309 r"""get_name(NonRigidMember self) -> std::string"""
9310 return _IMP_core.NonRigidMember_get_name(self)
9312 def clear_caches(self):
9313 r"""clear_caches(NonRigidMember self)"""
9314 return _IMP_core.NonRigidMember_clear_caches(self)
9316 def set_name(self, a0):
9317 r"""set_name(NonRigidMember self, std::string a0)"""
9318 return _IMP_core.NonRigidMember_set_name(self, a0)
9321 r"""set_check_level(NonRigidMember self, IMP::CheckLevel a0)"""
9322 return _IMP_core.NonRigidMember_set_check_level(self, a0)
9324 def add_to_derivative(self, a0, a1, a2):
9325 r"""add_to_derivative(NonRigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9326 return _IMP_core.NonRigidMember_add_to_derivative(self, a0, a1, a2)
9328 def set_is_optimized(self, a0, a1):
9329 r"""set_is_optimized(NonRigidMember self, FloatKey a0, bool a1)"""
9330 return _IMP_core.NonRigidMember_set_is_optimized(self, a0, a1)
9332 def get_is_optimized(self, a0):
9333 r"""get_is_optimized(NonRigidMember self, FloatKey a0) -> bool"""
9334 return _IMP_core.NonRigidMember_get_is_optimized(self, a0)
9337 r"""get_check_level(NonRigidMember self) -> IMP::CheckLevel"""
9338 return _IMP_core.NonRigidMember_get_check_level(self)
9340 def __eq__(self, *args):
9342 __eq__(NonRigidMember self, NonRigidMember o) -> bool
9343 __eq__(NonRigidMember self, Particle d) -> bool
9345 return _IMP_core.NonRigidMember___eq__(self, *args)
9347 def __ne__(self, *args):
9349 __ne__(NonRigidMember self, NonRigidMember o) -> bool
9350 __ne__(NonRigidMember self, Particle d) -> bool
9352 return _IMP_core.NonRigidMember___ne__(self, *args)
9354 def __le__(self, *args):
9356 __le__(NonRigidMember self, NonRigidMember o) -> bool
9357 __le__(NonRigidMember self, Particle d) -> bool
9359 return _IMP_core.NonRigidMember___le__(self, *args)
9361 def __lt__(self, *args):
9363 __lt__(NonRigidMember self, NonRigidMember o) -> bool
9364 __lt__(NonRigidMember self, Particle d) -> bool
9366 return _IMP_core.NonRigidMember___lt__(self, *args)
9368 def __ge__(self, *args):
9370 __ge__(NonRigidMember self, NonRigidMember o) -> bool
9371 __ge__(NonRigidMember self, Particle d) -> bool
9373 return _IMP_core.NonRigidMember___ge__(self, *args)
9375 def __gt__(self, *args):
9377 __gt__(NonRigidMember self, NonRigidMember o) -> bool
9378 __gt__(NonRigidMember self, Particle d) -> bool
9380 return _IMP_core.NonRigidMember___gt__(self, *args)
9383 r"""__hash__(NonRigidMember self) -> std::size_t"""
9384 return _IMP_core.NonRigidMember___hash__(self)
9387 r"""__str__(NonRigidMember self) -> std::string"""
9388 return _IMP_core.NonRigidMember___str__(self)
9391 r"""__repr__(NonRigidMember self) -> std::string"""
9392 return _IMP_core.NonRigidMember___repr__(self)
9394 def _get_as_binary(self):
9395 r"""_get_as_binary(NonRigidMember self) -> PyObject *"""
9396 return _IMP_core.NonRigidMember__get_as_binary(self)
9398 def _set_from_binary(self, p):
9399 r"""_set_from_binary(NonRigidMember self, PyObject * p)"""
9400 return _IMP_core.NonRigidMember__set_from_binary(self, p)
9402 def __getstate__(self):
9403 p = self._get_as_binary()
9404 if len(self.__dict__) > 1:
9405 d = self.__dict__.copy()
9410 def __setstate__(self, p):
9411 if not hasattr(self,
'this'):
9413 if isinstance(p, tuple):
9415 self.__dict__.update(d)
9416 return self._set_from_binary(p)
9420 _IMP_core.NonRigidMember_swigregister(NonRigidMember)
9422 r"""Proxy of C++ IMP::core::RigidMembersRefiner class."""
9424 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9426 def __init__(self, *args):
9427 r"""__init__(RigidMembersRefiner self, std::string name="RigidMembersRefiner%d") -> RigidMembersRefiner"""
9428 _IMP_core.RigidMembersRefiner_swiginit(self, _IMP_core.new_RigidMembersRefiner(*args))
9430 def do_get_inputs(self, m, pis):
9431 r"""do_get_inputs(RigidMembersRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9432 return _IMP_core.RigidMembersRefiner_do_get_inputs(self, m, pis)
9434 def get_version_info(self):
9435 r"""get_version_info(RigidMembersRefiner self) -> VersionInfo"""
9436 return _IMP_core.RigidMembersRefiner_get_version_info(self)
9437 __swig_destroy__ = _IMP_core.delete_RigidMembersRefiner
9440 r"""__str__(RigidMembersRefiner self) -> std::string"""
9441 return _IMP_core.RigidMembersRefiner___str__(self)
9444 r"""__repr__(RigidMembersRefiner self) -> std::string"""
9445 return _IMP_core.RigidMembersRefiner___repr__(self)
9449 return _object_cast_to_RigidMembersRefiner(o)
9453 _IMP_core.RigidMembersRefiner_swigregister(RigidMembersRefiner)
9455 def get_rigid_members_refiner():
9456 r"""get_rigid_members_refiner() -> RigidMembersRefiner"""
9457 return _IMP_core.get_rigid_members_refiner()
9461 transform(XYZ a, Transformation3D tr)
9462 transform(RigidBody a, Transformation3D tr)
9464 return _IMP_core.transform(*args)
9468 get_initial_reference_frame(Model m, IMP::ParticleIndexes const & pis) -> ReferenceFrame3D
9469 get_initial_reference_frame(IMP::ParticlesTemp const & ps) -> ReferenceFrame3D
9471 return _IMP_core.get_initial_reference_frame(*args)
9474 r"""create_rigid_bodies(Model m, unsigned int n, bool no_members=False) -> IMP::ParticlesTemp"""
9475 return _IMP_core.create_rigid_bodies(m, n, no_members)
9478 r"""show_rigid_body_hierarchy(RigidBody rb, TextOutput out=IMP::TextOutput(std::cout))"""
9479 return _IMP_core.show_rigid_body_hierarchy(*args)
9482 r"""get_root_rigid_body(RigidMember m) -> ParticleIndex"""
9483 return _IMP_core.get_root_rigid_body(m)
9485 r"""Proxy of C++ IMP::core::internal::_UpdateRigidBodyMembers class."""
9487 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9489 def __init__(self, *args):
9490 r"""__init__(_UpdateRigidBodyMembers self, std::string name="UpdateRigidBodyMembers%1%") -> _UpdateRigidBodyMembers"""
9491 _IMP_core._UpdateRigidBodyMembers_swiginit(self, _IMP_core.new__UpdateRigidBodyMembers(*args))
9493 def do_get_inputs(self, m, pis):
9494 r"""do_get_inputs(_UpdateRigidBodyMembers self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9495 return _IMP_core._UpdateRigidBodyMembers_do_get_inputs(self, m, pis)
9497 def do_get_outputs(self, m, pis):
9498 r"""do_get_outputs(_UpdateRigidBodyMembers self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9499 return _IMP_core._UpdateRigidBodyMembers_do_get_outputs(self, m, pis)
9501 def get_version_info(self):
9502 r"""get_version_info(_UpdateRigidBodyMembers self) -> VersionInfo"""
9503 return _IMP_core._UpdateRigidBodyMembers_get_version_info(self)
9504 __swig_destroy__ = _IMP_core.delete__UpdateRigidBodyMembers
9507 r"""__str__(_UpdateRigidBodyMembers self) -> std::string"""
9508 return _IMP_core._UpdateRigidBodyMembers___str__(self)
9511 r"""__repr__(_UpdateRigidBodyMembers self) -> std::string"""
9512 return _IMP_core._UpdateRigidBodyMembers___repr__(self)
9516 return _object_cast_to__UpdateRigidBodyMembers(o)
9520 _IMP_core._UpdateRigidBodyMembers_swigregister(_UpdateRigidBodyMembers)
9522 r"""Proxy of C++ IMP::core::internal::_AccumulateRigidBodyDerivatives class."""
9524 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9526 def __init__(self, *args):
9527 r"""__init__(_AccumulateRigidBodyDerivatives self, std::string name="AccumulateRigidBodyDerivatives%1%") -> _AccumulateRigidBodyDerivatives"""
9528 _IMP_core._AccumulateRigidBodyDerivatives_swiginit(self, _IMP_core.new__AccumulateRigidBodyDerivatives(*args))
9530 def do_get_inputs(self, m, pis):
9531 r"""do_get_inputs(_AccumulateRigidBodyDerivatives self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9532 return _IMP_core._AccumulateRigidBodyDerivatives_do_get_inputs(self, m, pis)
9534 def do_get_outputs(self, m, pis):
9535 r"""do_get_outputs(_AccumulateRigidBodyDerivatives self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9536 return _IMP_core._AccumulateRigidBodyDerivatives_do_get_outputs(self, m, pis)
9538 def get_version_info(self):
9539 r"""get_version_info(_AccumulateRigidBodyDerivatives self) -> VersionInfo"""
9540 return _IMP_core._AccumulateRigidBodyDerivatives_get_version_info(self)
9541 __swig_destroy__ = _IMP_core.delete__AccumulateRigidBodyDerivatives
9544 r"""__str__(_AccumulateRigidBodyDerivatives self) -> std::string"""
9545 return _IMP_core._AccumulateRigidBodyDerivatives___str__(self)
9548 r"""__repr__(_AccumulateRigidBodyDerivatives self) -> std::string"""
9549 return _IMP_core._AccumulateRigidBodyDerivatives___repr__(self)
9553 return _object_cast_to__AccumulateRigidBodyDerivatives(o)
9557 _IMP_core._AccumulateRigidBodyDerivatives_swigregister(_AccumulateRigidBodyDerivatives)
9559 r"""Proxy of C++ IMP::core::internal::_NormalizeRotation class."""
9561 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9563 def __init__(self, *args):
9564 r"""__init__(_NormalizeRotation self, std::string name="NormalizeRotation%1%") -> _NormalizeRotation"""
9565 _IMP_core._NormalizeRotation_swiginit(self, _IMP_core.new__NormalizeRotation(*args))
9567 def do_get_inputs(self, m, pis):
9568 r"""do_get_inputs(_NormalizeRotation self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9569 return _IMP_core._NormalizeRotation_do_get_inputs(self, m, pis)
9571 def do_get_outputs(self, m, pis):
9572 r"""do_get_outputs(_NormalizeRotation self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9573 return _IMP_core._NormalizeRotation_do_get_outputs(self, m, pis)
9575 def get_version_info(self):
9576 r"""get_version_info(_NormalizeRotation self) -> VersionInfo"""
9577 return _IMP_core._NormalizeRotation_get_version_info(self)
9578 __swig_destroy__ = _IMP_core.delete__NormalizeRotation
9581 r"""__str__(_NormalizeRotation self) -> std::string"""
9582 return _IMP_core._NormalizeRotation___str__(self)
9585 r"""__repr__(_NormalizeRotation self) -> std::string"""
9586 return _IMP_core._NormalizeRotation___repr__(self)
9590 return _object_cast_to__NormalizeRotation(o)
9594 _IMP_core._NormalizeRotation_swigregister(_NormalizeRotation)
9596 r"""Proxy of C++ IMP::core::internal::_RigidBodyNormalizeConstraint class."""
9598 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9600 def __init__(self, *args, **kwargs):
9601 raise AttributeError(
"No constructor defined - class is abstract")
9603 def get_before_modifier(self):
9604 r"""get_before_modifier(_RigidBodyNormalizeConstraint self) -> _NormalizeRotation"""
9605 return _IMP_core._RigidBodyNormalizeConstraint_get_before_modifier(self)
9607 def get_container(self):
9608 r"""get_container(_RigidBodyNormalizeConstraint self) -> Container"""
9609 return _IMP_core._RigidBodyNormalizeConstraint_get_container(self)
9611 def get_version_info(self):
9612 r"""get_version_info(_RigidBodyNormalizeConstraint self) -> VersionInfo"""
9613 return _IMP_core._RigidBodyNormalizeConstraint_get_version_info(self)
9614 __swig_destroy__ = _IMP_core.delete__RigidBodyNormalizeConstraint
9617 r"""__str__(_RigidBodyNormalizeConstraint self) -> std::string"""
9618 return _IMP_core._RigidBodyNormalizeConstraint___str__(self)
9621 r"""__repr__(_RigidBodyNormalizeConstraint self) -> std::string"""
9622 return _IMP_core._RigidBodyNormalizeConstraint___repr__(self)
9626 return _object_cast_to__RigidBodyNormalizeConstraint(o)
9634 allrbs = jm[
'rigid_bodies']
9635 allrbs.quaternion = _quaternion_normalize(allrbs.quaternion)
9637 return self._wrap_jax(apply_func, keys=[
'rigid_bodies'])
9641 _IMP_core._RigidBodyNormalizeConstraint_swigregister(_RigidBodyNormalizeConstraint)
9643 r"""Proxy of C++ IMP::core::internal::_RigidBodyPositionConstraint class."""
9645 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9647 def __init__(self, *args, **kwargs):
9648 raise AttributeError(
"No constructor defined - class is abstract")
9650 def get_version_info(self):
9651 r"""get_version_info(_RigidBodyPositionConstraint self) -> VersionInfo"""
9652 return _IMP_core._RigidBodyPositionConstraint_get_version_info(self)
9653 __swig_destroy__ = _IMP_core.delete__RigidBodyPositionConstraint
9655 def get_before_modifier(self):
9656 r"""get_before_modifier(_RigidBodyPositionConstraint self) -> _UpdateRigidBodyMembers"""
9657 return _IMP_core._RigidBodyPositionConstraint_get_before_modifier(self)
9659 def get_after_modifier(self):
9660 r"""get_after_modifier(_RigidBodyPositionConstraint self) -> _AccumulateRigidBodyDerivatives"""
9661 return _IMP_core._RigidBodyPositionConstraint_get_after_modifier(self)
9664 r"""get_index(_RigidBodyPositionConstraint self) -> ParticleIndex"""
9665 return _IMP_core._RigidBodyPositionConstraint_get_index(self)
9668 r"""__str__(_RigidBodyPositionConstraint self) -> std::string"""
9669 return _IMP_core._RigidBodyPositionConstraint___str__(self)
9672 r"""__repr__(_RigidBodyPositionConstraint self) -> std::string"""
9673 return _IMP_core._RigidBodyPositionConstraint___repr__(self)
9677 return _object_cast_to__RigidBodyPositionConstraint(o)
9683 def apply_func(jm, index):
9684 body = jm[
'rigid_bodies'].bodies[index]
9688 return body.update_members(jm)
9690 pindex = self.get_index()
9691 rbindex = _jax_rigid._get_rigid_body_index(self.get_model(), pindex)
9692 f = functools.partial(apply_func, index=rbindex)
9693 return self._wrap_jax(f, keys=[
'rigid_bodies'])
9697 _IMP_core._RigidBodyPositionConstraint_swigregister(_RigidBodyPositionConstraint)
9699 r"""Proxy of C++ IMP::core::RigidBodyHierarchyGeometry class."""
9701 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9703 def __init__(self, rb, constituents):
9704 r"""__init__(RigidBodyHierarchyGeometry self, RigidBody rb, IMP::ParticlesTemp const & constituents) -> RigidBodyHierarchyGeometry"""
9705 _IMP_core.RigidBodyHierarchyGeometry_swiginit(self, _IMP_core.new_RigidBodyHierarchyGeometry(rb, constituents))
9707 def get_version_info(self):
9708 r"""get_version_info(RigidBodyHierarchyGeometry self) -> VersionInfo"""
9709 return _IMP_core.RigidBodyHierarchyGeometry_get_version_info(self)
9710 __swig_destroy__ = _IMP_core.delete_RigidBodyHierarchyGeometry
9713 r"""__str__(RigidBodyHierarchyGeometry self) -> std::string"""
9714 return _IMP_core.RigidBodyHierarchyGeometry___str__(self)
9717 r"""__repr__(RigidBodyHierarchyGeometry self) -> std::string"""
9718 return _IMP_core.RigidBodyHierarchyGeometry___repr__(self)
9722 return _object_cast_to_RigidBodyHierarchyGeometry(o)
9726 _IMP_core.RigidBodyHierarchyGeometry_swigregister(RigidBodyHierarchyGeometry)
9728 r"""Proxy of C++ IMP::core::RigidBodyDerivativeGeometry class."""
9730 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9732 def __init__(self, *args):
9734 __init__(RigidBodyDerivativeGeometry self, Particle p) -> RigidBodyDerivativeGeometry
9735 __init__(RigidBodyDerivativeGeometry self, RigidBody d) -> RigidBodyDerivativeGeometry
9737 _IMP_core.RigidBodyDerivativeGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativeGeometry(*args))
9739 def get_version_info(self):
9740 r"""get_version_info(RigidBodyDerivativeGeometry self) -> VersionInfo"""
9741 return _IMP_core.RigidBodyDerivativeGeometry_get_version_info(self)
9742 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativeGeometry
9745 r"""__str__(RigidBodyDerivativeGeometry self) -> std::string"""
9746 return _IMP_core.RigidBodyDerivativeGeometry___str__(self)
9749 r"""__repr__(RigidBodyDerivativeGeometry self) -> std::string"""
9750 return _IMP_core.RigidBodyDerivativeGeometry___repr__(self)
9754 return _object_cast_to_RigidBodyDerivativeGeometry(o)
9758 _IMP_core.RigidBodyDerivativeGeometry_swigregister(RigidBodyDerivativeGeometry)
9760 r"""Proxy of C++ IMP::core::RigidBodyDerivativesGeometry class."""
9762 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9764 def __init__(self, sc):
9765 r"""__init__(RigidBodyDerivativesGeometry self, SingletonContainer sc) -> RigidBodyDerivativesGeometry"""
9766 _IMP_core.RigidBodyDerivativesGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativesGeometry(sc))
9768 def get_version_info(self):
9769 r"""get_version_info(RigidBodyDerivativesGeometry self) -> VersionInfo"""
9770 return _IMP_core.RigidBodyDerivativesGeometry_get_version_info(self)
9771 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativesGeometry
9774 r"""__str__(RigidBodyDerivativesGeometry self) -> std::string"""
9775 return _IMP_core.RigidBodyDerivativesGeometry___str__(self)
9778 r"""__repr__(RigidBodyDerivativesGeometry self) -> std::string"""
9779 return _IMP_core.RigidBodyDerivativesGeometry___repr__(self)
9783 return _object_cast_to_RigidBodyDerivativesGeometry(o)
9787 _IMP_core.RigidBodyDerivativesGeometry_swigregister(RigidBodyDerivativesGeometry)
9789 r"""Proxy of C++ IMP::core::RigidBodyFrameGeometry class."""
9791 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9793 def __init__(self, *args):
9795 __init__(RigidBodyFrameGeometry self, Particle p) -> RigidBodyFrameGeometry
9796 __init__(RigidBodyFrameGeometry self, RigidBody d) -> RigidBodyFrameGeometry
9798 _IMP_core.RigidBodyFrameGeometry_swiginit(self, _IMP_core.new_RigidBodyFrameGeometry(*args))
9800 def get_version_info(self):
9801 r"""get_version_info(RigidBodyFrameGeometry self) -> VersionInfo"""
9802 return _IMP_core.RigidBodyFrameGeometry_get_version_info(self)
9803 __swig_destroy__ = _IMP_core.delete_RigidBodyFrameGeometry
9806 r"""__str__(RigidBodyFrameGeometry self) -> std::string"""
9807 return _IMP_core.RigidBodyFrameGeometry___str__(self)
9810 r"""__repr__(RigidBodyFrameGeometry self) -> std::string"""
9811 return _IMP_core.RigidBodyFrameGeometry___repr__(self)
9815 return _object_cast_to_RigidBodyFrameGeometry(o)
9819 _IMP_core.RigidBodyFrameGeometry_swigregister(RigidBodyFrameGeometry)
9821 r"""Proxy of C++ IMP::core::RigidBodyFramesGeometry class."""
9823 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9825 def __init__(self, sc):
9826 r"""__init__(RigidBodyFramesGeometry self, SingletonContainer sc) -> RigidBodyFramesGeometry"""
9827 _IMP_core.RigidBodyFramesGeometry_swiginit(self, _IMP_core.new_RigidBodyFramesGeometry(sc))
9829 def get_version_info(self):
9830 r"""get_version_info(RigidBodyFramesGeometry self) -> VersionInfo"""
9831 return _IMP_core.RigidBodyFramesGeometry_get_version_info(self)
9832 __swig_destroy__ = _IMP_core.delete_RigidBodyFramesGeometry
9835 r"""__str__(RigidBodyFramesGeometry self) -> std::string"""
9836 return _IMP_core.RigidBodyFramesGeometry___str__(self)
9839 r"""__repr__(RigidBodyFramesGeometry self) -> std::string"""
9840 return _IMP_core.RigidBodyFramesGeometry___repr__(self)
9844 return _object_cast_to_RigidBodyFramesGeometry(o)
9848 _IMP_core.RigidBodyFramesGeometry_swigregister(RigidBodyFramesGeometry)
9850 r"""Proxy of C++ IMP::core::RigidBodyTorque class."""
9852 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9854 def __init__(self, p):
9855 r"""__init__(RigidBodyTorque self, Particle p) -> RigidBodyTorque"""
9856 _IMP_core.RigidBodyTorque_swiginit(self, _IMP_core.new_RigidBodyTorque(p))
9859 r"""__str__(RigidBodyTorque self) -> std::string"""
9860 return _IMP_core.RigidBodyTorque___str__(self)
9863 r"""__repr__(RigidBodyTorque self) -> std::string"""
9864 return _IMP_core.RigidBodyTorque___repr__(self)
9868 return _object_cast_to_RigidBodyTorque(o)
9870 __swig_destroy__ = _IMP_core.delete_RigidBodyTorque
9873 _IMP_core.RigidBodyTorque_swigregister(RigidBodyTorque)
9874 class NearestNeighborsClosePairsFinder(ClosePairsFinder):
9875 r"""Proxy of C++ IMP::core::NearestNeighborsClosePairsFinder class."""
9877 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9880 r"""__init__(NearestNeighborsClosePairsFinder self) -> NearestNeighborsClosePairsFinder"""
9881 _IMP_core.NearestNeighborsClosePairsFinder_swiginit(self, _IMP_core.new_NearestNeighborsClosePairsFinder())
9883 def get_close_pairs(self, *args):
9885 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9886 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9887 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
9888 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
9890 return _IMP_core.NearestNeighborsClosePairsFinder_get_close_pairs(self, *args)
9892 def do_get_inputs(self, m, pis):
9893 r"""do_get_inputs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9894 return _IMP_core.NearestNeighborsClosePairsFinder_do_get_inputs(self, m, pis)
9896 def get_version_info(self):
9897 r"""get_version_info(NearestNeighborsClosePairsFinder self) -> VersionInfo"""
9898 return _IMP_core.NearestNeighborsClosePairsFinder_get_version_info(self)
9899 __swig_destroy__ = _IMP_core.delete_NearestNeighborsClosePairsFinder
9902 r"""__str__(NearestNeighborsClosePairsFinder self) -> std::string"""
9903 return _IMP_core.NearestNeighborsClosePairsFinder___str__(self)
9906 r"""__repr__(NearestNeighborsClosePairsFinder self) -> std::string"""
9907 return _IMP_core.NearestNeighborsClosePairsFinder___repr__(self)
9911 return _object_cast_to_NearestNeighborsClosePairsFinder(o)
9915 _IMP_core.NearestNeighborsClosePairsFinder_swigregister(NearestNeighborsClosePairsFinder)
9917 r"""Proxy of C++ IMP::core::RestraintsScoringFunction class."""
9919 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9921 def __init__(self, *args):
9923 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, double weight=1.0, double max=NO_MAX, std::string name="RestraintsScoringFunction%1%") -> RestraintsScoringFunction
9924 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, std::string name) -> RestraintsScoringFunction
9925 __init__(RestraintsScoringFunction self) -> RestraintsScoringFunction
9927 _IMP_core.RestraintsScoringFunction_swiginit(self, _IMP_core.new_RestraintsScoringFunction(*args))
9929 def do_add_score_and_derivatives(self, sa, ss):
9930 r"""do_add_score_and_derivatives(RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
9931 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives(self, sa, ss)
9933 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
9934 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)"""
9935 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
9937 def do_get_inputs(self):
9938 r"""do_get_inputs(RestraintsScoringFunction self) -> IMP::ModelObjectsTemp"""
9939 return _IMP_core.RestraintsScoringFunction_do_get_inputs(self)
9941 def get_restraints(self):
9942 r"""get_restraints(RestraintsScoringFunction self) -> IMP::Restraints"""
9943 return _IMP_core.RestraintsScoringFunction_get_restraints(self)
9945 def set_restraints(self, d):
9946 r"""set_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9947 return _IMP_core.RestraintsScoringFunction_set_restraints(self, d)
9949 def get_number_of_restraints(self):
9950 r"""get_number_of_restraints(RestraintsScoringFunction self) -> unsigned int"""
9951 return _IMP_core.RestraintsScoringFunction_get_number_of_restraints(self)
9953 def clear_restraints(self):
9954 r"""clear_restraints(RestraintsScoringFunction self)"""
9955 return _IMP_core.RestraintsScoringFunction_clear_restraints(self)
9957 def get_restraint(self, i):
9958 r"""get_restraint(RestraintsScoringFunction self, unsigned int i) -> Restraint"""
9959 return _IMP_core.RestraintsScoringFunction_get_restraint(self, i)
9961 def erase_restraint(self, i):
9962 r"""erase_restraint(RestraintsScoringFunction self, unsigned int i)"""
9963 return _IMP_core.RestraintsScoringFunction_erase_restraint(self, i)
9966 r"""add_restraint(RestraintsScoringFunction self, Restraint d) -> unsigned int"""
9967 return _IMP_core.RestraintsScoringFunction_add_restraint(self, d)
9970 r"""add_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9971 return _IMP_core.RestraintsScoringFunction_add_restraints(self, d)
9973 def _python_index_restraint(self, r, start, stop):
9974 r"""_python_index_restraint(RestraintsScoringFunction self, Restraint r, unsigned int start, unsigned int stop) -> unsigned int"""
9975 return _IMP_core.RestraintsScoringFunction__python_index_restraint(self, r, start, stop)
9976 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)
9977 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
9978 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
9979 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##Restraints")
9981 def get_version_info(self):
9982 r"""get_version_info(RestraintsScoringFunction self) -> VersionInfo"""
9983 return _IMP_core.RestraintsScoringFunction_get_version_info(self)
9984 __swig_destroy__ = _IMP_core.delete_RestraintsScoringFunction
9987 r"""__str__(RestraintsScoringFunction self) -> std::string"""
9988 return _IMP_core.RestraintsScoringFunction___str__(self)
9991 r"""__repr__(RestraintsScoringFunction self) -> std::string"""
9992 return _IMP_core.RestraintsScoringFunction___repr__(self)
9996 return _object_cast_to_RestraintsScoringFunction(o)
9999 def _get_as_binary(self):
10000 r"""_get_as_binary(RestraintsScoringFunction self) -> PyObject *"""
10001 return _IMP_core.RestraintsScoringFunction__get_as_binary(self)
10003 def _set_from_binary(self, p):
10004 r"""_set_from_binary(RestraintsScoringFunction self, PyObject * p)"""
10005 return _IMP_core.RestraintsScoringFunction__set_from_binary(self, p)
10007 def __getstate__(self):
10008 p = self._get_as_binary()
10009 if len(self.__dict__) > 1:
10010 d = self.__dict__.copy()
10015 def __setstate__(self, p):
10016 if not hasattr(self,
'this'):
10018 if isinstance(p, tuple):
10020 self.__dict__.update(d)
10021 return self._set_from_binary(p)
10024 def _get_jax(self, space=None):
10025 import jax.numpy
as jnp
10027 import IMP._jax_util
10028 restraints = [r.get_derived_object()
for r
in self.restraints]
10030 multi_funcs, funcs, keys = IMP._jax_util.get_restraints_jax_funcs_keys(
10033 rets = [f(jm)
for f
in multi_funcs]
10035 rets.append(jnp.stack([f(jm)
for f
in funcs], axis=-1))
10036 scores = jnp.concatenate(rets, axis=-1)
10037 return jnp.sum(scores, axis=-1)
10038 return IMP._jax_util.JAXRestraintInfo(
10039 m=self.get_model(), score_func=jax_sf, weight=1.0, keys=keys)
10043 _IMP_core.RestraintsScoringFunction_swigregister(RestraintsScoringFunction)
10044 class RigidClosePairsFinder(ClosePairsFinder):
10045 r"""Proxy of C++ IMP::core::RigidClosePairsFinder class."""
10047 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10049 def __init__(self, cpf=None):
10050 r"""__init__(RigidClosePairsFinder self, ClosePairsFinder cpf=None) -> RigidClosePairsFinder"""
10051 _IMP_core.RigidClosePairsFinder_swiginit(self, _IMP_core.new_RigidClosePairsFinder(cpf))
10053 def do_get_inputs(self, m, pis):
10054 r"""do_get_inputs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10055 return _IMP_core.RigidClosePairsFinder_do_get_inputs(self, m, pis)
10057 def get_close_pairs(self, *args):
10059 get_close_pairs(RigidClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b, IMP::ParticleIndexes const & pa, IMP::ParticleIndexes const & pb) -> IMP::ParticleIndexPairs
10060 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
10061 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
10062 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
10063 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
10065 return _IMP_core.RigidClosePairsFinder_get_close_pairs(self, *args)
10067 def get_version_info(self):
10068 r"""get_version_info(RigidClosePairsFinder self) -> VersionInfo"""
10069 return _IMP_core.RigidClosePairsFinder_get_version_info(self)
10070 __swig_destroy__ = _IMP_core.delete_RigidClosePairsFinder
10073 r"""__str__(RigidClosePairsFinder self) -> std::string"""
10074 return _IMP_core.RigidClosePairsFinder___str__(self)
10076 def __repr__(self):
10077 r"""__repr__(RigidClosePairsFinder self) -> std::string"""
10078 return _IMP_core.RigidClosePairsFinder___repr__(self)
10082 return _object_cast_to_RigidClosePairsFinder(o)
10085 def _get_as_binary(self):
10086 r"""_get_as_binary(RigidClosePairsFinder self) -> PyObject *"""
10087 return _IMP_core.RigidClosePairsFinder__get_as_binary(self)
10089 def _set_from_binary(self, p):
10090 r"""_set_from_binary(RigidClosePairsFinder self, PyObject * p)"""
10091 return _IMP_core.RigidClosePairsFinder__set_from_binary(self, p)
10093 def __getstate__(self):
10094 p = self._get_as_binary()
10095 if len(self.__dict__) > 1:
10096 d = self.__dict__.copy()
10101 def __setstate__(self, p):
10102 if not hasattr(self,
'this'):
10104 if isinstance(p, tuple):
10106 self.__dict__.update(d)
10107 return self._set_from_binary(p)
10111 _IMP_core.RigidClosePairsFinder_swigregister(RigidClosePairsFinder)
10113 r"""Proxy of C++ IMP::core::SphereDistancePairScore class."""
10115 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10116 __repr__ = _swig_repr
10118 def __init__(self, *args):
10120 SphereDistancePairScore(UnaryFunction uf, std::string name="SphereDistancePairScore%1%") -> _SphereDistancePairScore
10121 __init__(_SphereDistancePairScore self) -> _SphereDistancePairScore
10123 _IMP_core._SphereDistancePairScore_swiginit(self, _IMP_core.new__SphereDistancePairScore(*args))
10125 def do_get_inputs(self, m, pis):
10126 r"""do_get_inputs(_SphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10127 return _IMP_core._SphereDistancePairScore_do_get_inputs(self, m, pis)
10129 def get_score_functor(self, *args):
10131 get_score_functor(_SphereDistancePairScore self) -> _SphereDistanceUF
10132 get_score_functor(_SphereDistancePairScore self) -> _SphereDistanceUF
10134 return _IMP_core._SphereDistancePairScore_get_score_functor(self, *args)
10136 def get_version_info(self):
10137 r"""get_version_info(_SphereDistancePairScore self) -> VersionInfo"""
10138 return _IMP_core._SphereDistancePairScore_get_version_info(self)
10139 __swig_destroy__ = _IMP_core.delete__SphereDistancePairScore
10143 return _object_cast_to__SphereDistancePairScore(o)
10146 def _get_as_binary(self):
10147 r"""_get_as_binary(_SphereDistancePairScore self) -> PyObject *"""
10148 return _IMP_core._SphereDistancePairScore__get_as_binary(self)
10150 def _set_from_binary(self, p):
10151 r"""_set_from_binary(_SphereDistancePairScore self, PyObject * p)"""
10152 return _IMP_core._SphereDistancePairScore__set_from_binary(self, p)
10154 def __getstate__(self):
10155 p = self._get_as_binary()
10156 if len(self.__dict__) > 1:
10157 d = self.__dict__.copy()
10162 def __setstate__(self, p):
10163 if not hasattr(self,
'this'):
10165 if isinstance(p, tuple):
10167 self.__dict__.update(d)
10168 return self._set_from_binary(p)
10171 def _get_jax(self, m, indexes, space):
10172 import jax.numpy
as jnp
10173 def jax_score(jm, uf):
10174 xyzs = jm[
'xyz'][indexes]
10175 rs = jm[
'r'][indexes]
10176 diff = xyzs[:,0] - xyzs[:,1]
10177 drs = space.distance(diff) - rs.sum(axis=-1)
10179 sfnc = self.get_score_functor()
10180 uf = sfnc.get_unary_function().get_derived_object()
10181 f = functools.partial(jax_score, uf=uf._get_jax())
10182 return self._wrap_jax(m, f)
10186 _IMP_core._SphereDistancePairScore_swigregister(_SphereDistancePairScore)
10187 class HarmonicUpperBoundSphereDistancePairScore(
IMP.PairScore):
10188 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDistancePairScore class."""
10190 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10192 def __init__(self, *args):
10194 __init__(HarmonicUpperBoundSphereDistancePairScore self, double x0, double k, std::string name="HarmonicUpperBoundSphereDistancePairScore%1%") -> HarmonicUpperBoundSphereDistancePairScore
10195 __init__(HarmonicUpperBoundSphereDistancePairScore self) -> HarmonicUpperBoundSphereDistancePairScore
10197 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDistancePairScore(*args))
10199 def do_get_inputs(self, m, pis):
10200 r"""do_get_inputs(HarmonicUpperBoundSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10201 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_do_get_inputs(self, m, pis)
10203 def get_score_functor(self, *args):
10205 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore
10206 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore const &
10208 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_score_functor(self, *args)
10211 r"""get_x0(HarmonicUpperBoundSphereDistancePairScore self) -> double"""
10212 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_x0(self)
10215 r"""get_k(HarmonicUpperBoundSphereDistancePairScore self) -> double"""
10216 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_k(self)
10218 def get_version_info(self):
10219 r"""get_version_info(HarmonicUpperBoundSphereDistancePairScore self) -> VersionInfo"""
10220 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_version_info(self)
10221 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDistancePairScore
10224 r"""__str__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
10225 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___str__(self)
10227 def __repr__(self):
10228 r"""__repr__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
10229 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___repr__(self)
10233 return _object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o)
10236 def _get_as_binary(self):
10237 r"""_get_as_binary(HarmonicUpperBoundSphereDistancePairScore self) -> PyObject *"""
10238 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__get_as_binary(self)
10240 def _set_from_binary(self, p):
10241 r"""_set_from_binary(HarmonicUpperBoundSphereDistancePairScore self, PyObject * p)"""
10242 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__set_from_binary(self, p)
10244 def __getstate__(self):
10245 p = self._get_as_binary()
10246 if len(self.__dict__) > 1:
10247 d = self.__dict__.copy()
10252 def __setstate__(self, p):
10253 if not hasattr(self,
'this'):
10255 if isinstance(p, tuple):
10257 self.__dict__.update(d)
10258 return self._set_from_binary(p)
10261 def _get_jax(self, m, indexes, space):
10262 import jax.numpy
as jnp
10264 def jax_score(jm, d, k):
10265 xyzs = jm[
'xyz'][indexes]
10266 rs = jm[
'r'][indexes]
10267 diff = xyzs[:,0] - xyzs[:,1]
10268 drs = space.distance(diff) - rs.sum(axis=-1)
10269 return 0.5 * k * jax.lax.min(d - drs, 0.0) ** 2
10270 f = functools.partial(jax_score, d=self.get_x0(), k=self.get_k())
10271 return self._wrap_jax(m, f)
10275 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swigregister(HarmonicUpperBoundSphereDistancePairScore)
10276 class HarmonicUpperBoundSphereDiameterPairScore(
IMP.PairScore):
10277 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDiameterPairScore class."""
10279 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10281 def __init__(self, d0, k):
10282 r"""__init__(HarmonicUpperBoundSphereDiameterPairScore self, double d0, double k) -> HarmonicUpperBoundSphereDiameterPairScore"""
10283 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDiameterPairScore(d0, k))
10285 def get_rest_length(self):
10286 r"""get_rest_length(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
10287 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_rest_length(self)
10289 def get_stiffness(self):
10290 r"""get_stiffness(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
10291 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_stiffness(self)
10293 def do_get_inputs(self, m, pis):
10294 r"""do_get_inputs(HarmonicUpperBoundSphereDiameterPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10295 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_do_get_inputs(self, m, pis)
10297 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10298 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"""
10299 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10301 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10302 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"""
10303 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10305 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10306 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"""
10307 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10309 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10310 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"""
10311 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10313 def get_version_info(self):
10314 r"""get_version_info(HarmonicUpperBoundSphereDiameterPairScore self) -> VersionInfo"""
10315 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_version_info(self)
10316 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDiameterPairScore
10319 r"""__str__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
10320 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___str__(self)
10322 def __repr__(self):
10323 r"""__repr__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
10324 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___repr__(self)
10328 return _object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o)
10332 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swigregister(HarmonicUpperBoundSphereDiameterPairScore)
10334 r"""Proxy of C++ IMP::core::HarmonicSphereDistancePairScore class."""
10336 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10338 def __init__(self, *args):
10340 __init__(HarmonicSphereDistancePairScore self, double x0, double k, std::string name="HarmonicSphereDistancePairScore%1%") -> HarmonicSphereDistancePairScore
10341 __init__(HarmonicSphereDistancePairScore self) -> HarmonicSphereDistancePairScore
10343 _IMP_core.HarmonicSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSphereDistancePairScore(*args))
10345 def do_get_inputs(self, m, pis):
10346 r"""do_get_inputs(HarmonicSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10347 return _IMP_core.HarmonicSphereDistancePairScore_do_get_inputs(self, m, pis)
10349 def get_score_functor(self, *args):
10351 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore
10352 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore const &
10354 return _IMP_core.HarmonicSphereDistancePairScore_get_score_functor(self, *args)
10357 r"""get_x0(HarmonicSphereDistancePairScore self) -> double"""
10358 return _IMP_core.HarmonicSphereDistancePairScore_get_x0(self)
10361 r"""get_k(HarmonicSphereDistancePairScore self) -> double"""
10362 return _IMP_core.HarmonicSphereDistancePairScore_get_k(self)
10364 def get_version_info(self):
10365 r"""get_version_info(HarmonicSphereDistancePairScore self) -> VersionInfo"""
10366 return _IMP_core.HarmonicSphereDistancePairScore_get_version_info(self)
10367 __swig_destroy__ = _IMP_core.delete_HarmonicSphereDistancePairScore
10370 r"""__str__(HarmonicSphereDistancePairScore self) -> std::string"""
10371 return _IMP_core.HarmonicSphereDistancePairScore___str__(self)
10373 def __repr__(self):
10374 r"""__repr__(HarmonicSphereDistancePairScore self) -> std::string"""
10375 return _IMP_core.HarmonicSphereDistancePairScore___repr__(self)
10379 return _object_cast_to_HarmonicSphereDistancePairScore(o)
10382 def _get_as_binary(self):
10383 r"""_get_as_binary(HarmonicSphereDistancePairScore self) -> PyObject *"""
10384 return _IMP_core.HarmonicSphereDistancePairScore__get_as_binary(self)
10386 def _set_from_binary(self, p):
10387 r"""_set_from_binary(HarmonicSphereDistancePairScore self, PyObject * p)"""
10388 return _IMP_core.HarmonicSphereDistancePairScore__set_from_binary(self, p)
10390 def __getstate__(self):
10391 p = self._get_as_binary()
10392 if len(self.__dict__) > 1:
10393 d = self.__dict__.copy()
10398 def __setstate__(self, p):
10399 if not hasattr(self,
'this'):
10401 if isinstance(p, tuple):
10403 self.__dict__.update(d)
10404 return self._set_from_binary(p)
10407 def _get_jax(self, m, indexes, space):
10408 import jax.numpy
as jnp
10409 def jax_score(jm, d, k):
10410 xyzs = jm[
'xyz'][indexes]
10411 rs = jm[
'r'][indexes]
10412 diff = xyzs[:,0] - xyzs[:,1]
10413 drs = space.distance(diff) - rs.sum(axis=-1)
10414 return 0.5 * k * (d - drs)**2
10415 f = functools.partial(jax_score, d=self.get_x0(), k=self.get_k())
10416 return self._wrap_jax(m, f)
10420 _IMP_core.HarmonicSphereDistancePairScore_swigregister(HarmonicSphereDistancePairScore)
10422 r"""Proxy of C++ IMP::core::NormalizedSphereDistancePairScore class."""
10424 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10426 def __init__(self, *args):
10427 r"""__init__(NormalizedSphereDistancePairScore self, UnaryFunction f, FloatKey radius=IMP::FloatKey("radius")) -> NormalizedSphereDistancePairScore"""
10428 _IMP_core.NormalizedSphereDistancePairScore_swiginit(self, _IMP_core.new_NormalizedSphereDistancePairScore(*args))
10430 def do_get_inputs(self, m, pis):
10431 r"""do_get_inputs(NormalizedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10432 return _IMP_core.NormalizedSphereDistancePairScore_do_get_inputs(self, m, pis)
10434 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10435 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"""
10436 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10438 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10439 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"""
10440 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10442 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10443 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"""
10444 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10446 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10447 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"""
10448 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10450 def get_version_info(self):
10451 r"""get_version_info(NormalizedSphereDistancePairScore self) -> VersionInfo"""
10452 return _IMP_core.NormalizedSphereDistancePairScore_get_version_info(self)
10453 __swig_destroy__ = _IMP_core.delete_NormalizedSphereDistancePairScore
10456 r"""__str__(NormalizedSphereDistancePairScore self) -> std::string"""
10457 return _IMP_core.NormalizedSphereDistancePairScore___str__(self)
10459 def __repr__(self):
10460 r"""__repr__(NormalizedSphereDistancePairScore self) -> std::string"""
10461 return _IMP_core.NormalizedSphereDistancePairScore___repr__(self)
10465 return _object_cast_to_NormalizedSphereDistancePairScore(o)
10469 _IMP_core.NormalizedSphereDistancePairScore_swigregister(NormalizedSphereDistancePairScore)
10471 r"""Proxy of C++ IMP::core::WeightedSphereDistancePairScore class."""
10473 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10475 def __init__(self, *args):
10476 r"""__init__(WeightedSphereDistancePairScore self, UnaryFunction f, FloatKey weight, FloatKey radius=IMP::FloatKey("radius")) -> WeightedSphereDistancePairScore"""
10477 _IMP_core.WeightedSphereDistancePairScore_swiginit(self, _IMP_core.new_WeightedSphereDistancePairScore(*args))
10479 def do_get_inputs(self, m, pis):
10480 r"""do_get_inputs(WeightedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10481 return _IMP_core.WeightedSphereDistancePairScore_do_get_inputs(self, m, pis)
10483 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10484 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"""
10485 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10487 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10488 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"""
10489 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10491 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10492 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"""
10493 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10495 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10496 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"""
10497 return _IMP_core.WeightedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10499 def get_version_info(self):
10500 r"""get_version_info(WeightedSphereDistancePairScore self) -> VersionInfo"""
10501 return _IMP_core.WeightedSphereDistancePairScore_get_version_info(self)
10502 __swig_destroy__ = _IMP_core.delete_WeightedSphereDistancePairScore
10505 r"""__str__(WeightedSphereDistancePairScore self) -> std::string"""
10506 return _IMP_core.WeightedSphereDistancePairScore___str__(self)
10508 def __repr__(self):
10509 r"""__repr__(WeightedSphereDistancePairScore self) -> std::string"""
10510 return _IMP_core.WeightedSphereDistancePairScore___repr__(self)
10514 return _object_cast_to_WeightedSphereDistancePairScore(o)
10518 _IMP_core.WeightedSphereDistancePairScore_swigregister(WeightedSphereDistancePairScore)
10520 r"""Proxy of C++ IMP::core::SoftSpherePairScore class."""
10522 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10524 def __init__(self, *args):
10526 __init__(SoftSpherePairScore self, double k, std::string name="SoftSpherePairScore%1%") -> SoftSpherePairScore
10527 __init__(SoftSpherePairScore self) -> SoftSpherePairScore
10529 _IMP_core.SoftSpherePairScore_swiginit(self, _IMP_core.new_SoftSpherePairScore(*args))
10531 def do_get_inputs(self, m, pis):
10532 r"""do_get_inputs(SoftSpherePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10533 return _IMP_core.SoftSpherePairScore_do_get_inputs(self, m, pis)
10535 def get_score_functor(self, *args):
10537 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore
10538 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore const &
10540 return _IMP_core.SoftSpherePairScore_get_score_functor(self, *args)
10543 r"""get_k(SoftSpherePairScore self) -> double"""
10544 return _IMP_core.SoftSpherePairScore_get_k(self)
10546 def get_version_info(self):
10547 r"""get_version_info(SoftSpherePairScore self) -> VersionInfo"""
10548 return _IMP_core.SoftSpherePairScore_get_version_info(self)
10549 __swig_destroy__ = _IMP_core.delete_SoftSpherePairScore
10552 r"""__str__(SoftSpherePairScore self) -> std::string"""
10553 return _IMP_core.SoftSpherePairScore___str__(self)
10555 def __repr__(self):
10556 r"""__repr__(SoftSpherePairScore self) -> std::string"""
10557 return _IMP_core.SoftSpherePairScore___repr__(self)
10561 return _object_cast_to_SoftSpherePairScore(o)
10564 def _get_as_binary(self):
10565 r"""_get_as_binary(SoftSpherePairScore self) -> PyObject *"""
10566 return _IMP_core.SoftSpherePairScore__get_as_binary(self)
10568 def _set_from_binary(self, p):
10569 r"""_set_from_binary(SoftSpherePairScore self, PyObject * p)"""
10570 return _IMP_core.SoftSpherePairScore__set_from_binary(self, p)
10572 def __getstate__(self):
10573 p = self._get_as_binary()
10574 if len(self.__dict__) > 1:
10575 d = self.__dict__.copy()
10580 def __setstate__(self, p):
10581 if not hasattr(self,
'this'):
10583 if isinstance(p, tuple):
10585 self.__dict__.update(d)
10586 return self._set_from_binary(p)
10589 def _get_jax(self, m, indexes, space):
10590 import jax.numpy
as jnp
10592 def jax_score(jm, k):
10593 xyzs = jm[
'xyz'][indexes]
10594 rs = jm[
'r'][indexes]
10595 diff = xyzs[:,0] - xyzs[:,1]
10596 drs = space.distance(diff) - rs.sum(axis=-1)
10597 return 0.5 * k * jax.lax.min(drs, 0.0) ** 2
10598 f = functools.partial(jax_score, k=self.get_k())
10599 return self._wrap_jax(m, f)
10603 _IMP_core.SoftSpherePairScore_swigregister(SoftSpherePairScore)
10605 r"""Proxy of C++ IMP::core::SurfaceDistancePairScore class."""
10607 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10609 def __init__(self, *args):
10610 r"""__init__(SurfaceDistancePairScore self, UnaryFunction uf, std::string name="SurfaceDistancePairScore%1%") -> SurfaceDistancePairScore"""
10611 _IMP_core.SurfaceDistancePairScore_swiginit(self, _IMP_core.new_SurfaceDistancePairScore(*args))
10613 def do_get_inputs(self, m, pis):
10614 r"""do_get_inputs(SurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10615 return _IMP_core.SurfaceDistancePairScore_do_get_inputs(self, m, pis)
10617 def get_version_info(self):
10618 r"""get_version_info(SurfaceDistancePairScore self) -> VersionInfo"""
10619 return _IMP_core.SurfaceDistancePairScore_get_version_info(self)
10620 __swig_destroy__ = _IMP_core.delete_SurfaceDistancePairScore
10623 r"""__str__(SurfaceDistancePairScore self) -> std::string"""
10624 return _IMP_core.SurfaceDistancePairScore___str__(self)
10626 def __repr__(self):
10627 r"""__repr__(SurfaceDistancePairScore self) -> std::string"""
10628 return _IMP_core.SurfaceDistancePairScore___repr__(self)
10632 return _object_cast_to_SurfaceDistancePairScore(o)
10636 _IMP_core.SurfaceDistancePairScore_swigregister(SurfaceDistancePairScore)
10638 r"""Proxy of C++ IMP::core::SurfaceHeightPairScore class."""
10640 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10642 def __init__(self, *args):
10643 r"""__init__(SurfaceHeightPairScore self, UnaryFunction uf, std::string name="SurfaceHeightPairScore%1%") -> SurfaceHeightPairScore"""
10644 _IMP_core.SurfaceHeightPairScore_swiginit(self, _IMP_core.new_SurfaceHeightPairScore(*args))
10646 def do_get_inputs(self, m, pis):
10647 r"""do_get_inputs(SurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10648 return _IMP_core.SurfaceHeightPairScore_do_get_inputs(self, m, pis)
10650 def get_version_info(self):
10651 r"""get_version_info(SurfaceHeightPairScore self) -> VersionInfo"""
10652 return _IMP_core.SurfaceHeightPairScore_get_version_info(self)
10653 __swig_destroy__ = _IMP_core.delete_SurfaceHeightPairScore
10656 r"""__str__(SurfaceHeightPairScore self) -> std::string"""
10657 return _IMP_core.SurfaceHeightPairScore___str__(self)
10659 def __repr__(self):
10660 r"""__repr__(SurfaceHeightPairScore self) -> std::string"""
10661 return _IMP_core.SurfaceHeightPairScore___repr__(self)
10665 return _object_cast_to_SurfaceHeightPairScore(o)
10669 _IMP_core.SurfaceHeightPairScore_swigregister(SurfaceHeightPairScore)
10671 r"""Proxy of C++ IMP::core::SurfaceDepthPairScore class."""
10673 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10675 def __init__(self, *args):
10676 r"""__init__(SurfaceDepthPairScore self, UnaryFunction uf, std::string name="SurfaceDepthPairScore%1%") -> SurfaceDepthPairScore"""
10677 _IMP_core.SurfaceDepthPairScore_swiginit(self, _IMP_core.new_SurfaceDepthPairScore(*args))
10679 def do_get_inputs(self, m, pis):
10680 r"""do_get_inputs(SurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10681 return _IMP_core.SurfaceDepthPairScore_do_get_inputs(self, m, pis)
10683 def get_version_info(self):
10684 r"""get_version_info(SurfaceDepthPairScore self) -> VersionInfo"""
10685 return _IMP_core.SurfaceDepthPairScore_get_version_info(self)
10686 __swig_destroy__ = _IMP_core.delete_SurfaceDepthPairScore
10689 r"""__str__(SurfaceDepthPairScore self) -> std::string"""
10690 return _IMP_core.SurfaceDepthPairScore___str__(self)
10692 def __repr__(self):
10693 r"""__repr__(SurfaceDepthPairScore self) -> std::string"""
10694 return _IMP_core.SurfaceDepthPairScore___repr__(self)
10698 return _object_cast_to_SurfaceDepthPairScore(o)
10702 _IMP_core.SurfaceDepthPairScore_swigregister(SurfaceDepthPairScore)
10704 r"""Proxy of C++ IMP::core::HarmonicSurfaceDistancePairScore class."""
10706 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10708 def __init__(self, *args):
10709 r"""__init__(HarmonicSurfaceDistancePairScore self, double x0, double k, std::string name="HarmonicSurfaceDistancePairScore%1%") -> HarmonicSurfaceDistancePairScore"""
10710 _IMP_core.HarmonicSurfaceDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDistancePairScore(*args))
10712 def do_get_inputs(self, m, pis):
10713 r"""do_get_inputs(HarmonicSurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10714 return _IMP_core.HarmonicSurfaceDistancePairScore_do_get_inputs(self, m, pis)
10716 def get_version_info(self):
10717 r"""get_version_info(HarmonicSurfaceDistancePairScore self) -> VersionInfo"""
10718 return _IMP_core.HarmonicSurfaceDistancePairScore_get_version_info(self)
10719 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDistancePairScore
10722 r"""__str__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10723 return _IMP_core.HarmonicSurfaceDistancePairScore___str__(self)
10725 def __repr__(self):
10726 r"""__repr__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10727 return _IMP_core.HarmonicSurfaceDistancePairScore___repr__(self)
10731 return _object_cast_to_HarmonicSurfaceDistancePairScore(o)
10735 _IMP_core.HarmonicSurfaceDistancePairScore_swigregister(HarmonicSurfaceDistancePairScore)
10737 r"""Proxy of C++ IMP::core::HarmonicSurfaceHeightPairScore class."""
10739 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10741 def __init__(self, *args):
10742 r"""__init__(HarmonicSurfaceHeightPairScore self, double x0, double k, std::string name="HarmonicSurfaceHeightPairScore%1%") -> HarmonicSurfaceHeightPairScore"""
10743 _IMP_core.HarmonicSurfaceHeightPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceHeightPairScore(*args))
10745 def do_get_inputs(self, m, pis):
10746 r"""do_get_inputs(HarmonicSurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10747 return _IMP_core.HarmonicSurfaceHeightPairScore_do_get_inputs(self, m, pis)
10749 def get_version_info(self):
10750 r"""get_version_info(HarmonicSurfaceHeightPairScore self) -> VersionInfo"""
10751 return _IMP_core.HarmonicSurfaceHeightPairScore_get_version_info(self)
10752 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceHeightPairScore
10755 r"""__str__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10756 return _IMP_core.HarmonicSurfaceHeightPairScore___str__(self)
10758 def __repr__(self):
10759 r"""__repr__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10760 return _IMP_core.HarmonicSurfaceHeightPairScore___repr__(self)
10764 return _object_cast_to_HarmonicSurfaceHeightPairScore(o)
10768 _IMP_core.HarmonicSurfaceHeightPairScore_swigregister(HarmonicSurfaceHeightPairScore)
10770 r"""Proxy of C++ IMP::core::HarmonicSurfaceDepthPairScore class."""
10772 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10774 def __init__(self, *args):
10775 r"""__init__(HarmonicSurfaceDepthPairScore self, double x0, double k, std::string name="HarmonicSurfaceDepthPairScore%1%") -> HarmonicSurfaceDepthPairScore"""
10776 _IMP_core.HarmonicSurfaceDepthPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDepthPairScore(*args))
10778 def do_get_inputs(self, m, pis):
10779 r"""do_get_inputs(HarmonicSurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10780 return _IMP_core.HarmonicSurfaceDepthPairScore_do_get_inputs(self, m, pis)
10782 def get_version_info(self):
10783 r"""get_version_info(HarmonicSurfaceDepthPairScore self) -> VersionInfo"""
10784 return _IMP_core.HarmonicSurfaceDepthPairScore_get_version_info(self)
10785 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDepthPairScore
10788 r"""__str__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10789 return _IMP_core.HarmonicSurfaceDepthPairScore___str__(self)
10791 def __repr__(self):
10792 r"""__repr__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10793 return _IMP_core.HarmonicSurfaceDepthPairScore___repr__(self)
10797 return _object_cast_to_HarmonicSurfaceDepthPairScore(o)
10801 _IMP_core.HarmonicSurfaceDepthPairScore_swigregister(HarmonicSurfaceDepthPairScore)
10803 r"""Proxy of C++ IMP::core::SoftSuperSurfacePairScore class."""
10805 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10807 def __init__(self, *args):
10808 r"""__init__(SoftSuperSurfacePairScore self, double k, std::string name="SoftSuperSurfacePairScore%1%") -> SoftSuperSurfacePairScore"""
10809 _IMP_core.SoftSuperSurfacePairScore_swiginit(self, _IMP_core.new_SoftSuperSurfacePairScore(*args))
10811 def do_get_inputs(self, m, pis):
10812 r"""do_get_inputs(SoftSuperSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10813 return _IMP_core.SoftSuperSurfacePairScore_do_get_inputs(self, m, pis)
10815 def get_version_info(self):
10816 r"""get_version_info(SoftSuperSurfacePairScore self) -> VersionInfo"""
10817 return _IMP_core.SoftSuperSurfacePairScore_get_version_info(self)
10818 __swig_destroy__ = _IMP_core.delete_SoftSuperSurfacePairScore
10821 r"""__str__(SoftSuperSurfacePairScore self) -> std::string"""
10822 return _IMP_core.SoftSuperSurfacePairScore___str__(self)
10824 def __repr__(self):
10825 r"""__repr__(SoftSuperSurfacePairScore self) -> std::string"""
10826 return _IMP_core.SoftSuperSurfacePairScore___repr__(self)
10830 return _object_cast_to_SoftSuperSurfacePairScore(o)
10834 _IMP_core.SoftSuperSurfacePairScore_swigregister(SoftSuperSurfacePairScore)
10836 r"""Proxy of C++ IMP::core::SoftSubSurfacePairScore class."""
10838 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10840 def __init__(self, *args):
10841 r"""__init__(SoftSubSurfacePairScore self, double k, std::string name="SoftSubSurfacePairScore%1%") -> SoftSubSurfacePairScore"""
10842 _IMP_core.SoftSubSurfacePairScore_swiginit(self, _IMP_core.new_SoftSubSurfacePairScore(*args))
10844 def do_get_inputs(self, m, pis):
10845 r"""do_get_inputs(SoftSubSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10846 return _IMP_core.SoftSubSurfacePairScore_do_get_inputs(self, m, pis)
10848 def get_version_info(self):
10849 r"""get_version_info(SoftSubSurfacePairScore self) -> VersionInfo"""
10850 return _IMP_core.SoftSubSurfacePairScore_get_version_info(self)
10851 __swig_destroy__ = _IMP_core.delete_SoftSubSurfacePairScore
10854 r"""__str__(SoftSubSurfacePairScore self) -> std::string"""
10855 return _IMP_core.SoftSubSurfacePairScore___str__(self)
10857 def __repr__(self):
10858 r"""__repr__(SoftSubSurfacePairScore self) -> std::string"""
10859 return _IMP_core.SoftSubSurfacePairScore___repr__(self)
10863 return _object_cast_to_SoftSubSurfacePairScore(o)
10867 _IMP_core.SoftSubSurfacePairScore_swigregister(SoftSubSurfacePairScore)
10869 r"""Proxy of C++ IMP::core::SurfaceTetheredChain class."""
10871 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10873 def __init__(self, link_num, link_length):
10874 r"""__init__(SurfaceTetheredChain self, int link_num, double link_length) -> SurfaceTetheredChain"""
10875 _IMP_core.SurfaceTetheredChain_swiginit(self, _IMP_core.new_SurfaceTetheredChain(link_num, link_length))
10877 def get_version_info(self):
10878 r"""get_version_info(SurfaceTetheredChain self) -> VersionInfo"""
10879 return _IMP_core.SurfaceTetheredChain_get_version_info(self)
10880 __swig_destroy__ = _IMP_core.delete_SurfaceTetheredChain
10882 def get_link_number(self):
10883 r"""get_link_number(SurfaceTetheredChain self) -> int"""
10884 return _IMP_core.SurfaceTetheredChain_get_link_number(self)
10886 def get_link_length(self):
10887 r"""get_link_length(SurfaceTetheredChain self) -> double"""
10888 return _IMP_core.SurfaceTetheredChain_get_link_length(self)
10890 def set_link_number(self, N):
10891 r"""set_link_number(SurfaceTetheredChain self, int N)"""
10892 return _IMP_core.SurfaceTetheredChain_set_link_number(self, N)
10894 def set_link_length(self, b):
10895 r"""set_link_length(SurfaceTetheredChain self, double b)"""
10896 return _IMP_core.SurfaceTetheredChain_set_link_length(self, b)
10898 def get_distance_at_minimum(self):
10899 r"""get_distance_at_minimum(SurfaceTetheredChain self) -> double"""
10900 return _IMP_core.SurfaceTetheredChain_get_distance_at_minimum(self)
10902 def get_average_distance(self):
10903 r"""get_average_distance(SurfaceTetheredChain self) -> double"""
10904 return _IMP_core.SurfaceTetheredChain_get_average_distance(self)
10907 r"""__str__(SurfaceTetheredChain self) -> std::string"""
10908 return _IMP_core.SurfaceTetheredChain___str__(self)
10910 def __repr__(self):
10911 r"""__repr__(SurfaceTetheredChain self) -> std::string"""
10912 return _IMP_core.SurfaceTetheredChain___repr__(self)
10916 return _object_cast_to_SurfaceTetheredChain(o)
10920 _IMP_core.SurfaceTetheredChain_swigregister(SurfaceTetheredChain)
10922 r"""Proxy of C++ IMP::core::SurfaceSymmetryConstraint class."""
10924 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10926 def __init__(self, m, ss, rbs):
10927 r"""__init__(SurfaceSymmetryConstraint self, Model m, IMP::ParticleIndexPair const & ss, IMP::ParticleIndexPair const & rbs) -> SurfaceSymmetryConstraint"""
10928 _IMP_core.SurfaceSymmetryConstraint_swiginit(self, _IMP_core.new_SurfaceSymmetryConstraint(m, ss, rbs))
10930 def do_get_inputs(self):
10931 r"""do_get_inputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10932 return _IMP_core.SurfaceSymmetryConstraint_do_get_inputs(self)
10934 def do_get_outputs(self):
10935 r"""do_get_outputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10936 return _IMP_core.SurfaceSymmetryConstraint_do_get_outputs(self)
10938 def get_version_info(self):
10939 r"""get_version_info(SurfaceSymmetryConstraint self) -> VersionInfo"""
10940 return _IMP_core.SurfaceSymmetryConstraint_get_version_info(self)
10941 __swig_destroy__ = _IMP_core.delete_SurfaceSymmetryConstraint
10944 r"""__str__(SurfaceSymmetryConstraint self) -> std::string"""
10945 return _IMP_core.SurfaceSymmetryConstraint___str__(self)
10947 def __repr__(self):
10948 r"""__repr__(SurfaceSymmetryConstraint self) -> std::string"""
10949 return _IMP_core.SurfaceSymmetryConstraint___repr__(self)
10953 return _object_cast_to_SurfaceSymmetryConstraint(o)
10957 _IMP_core.SurfaceSymmetryConstraint_swigregister(SurfaceSymmetryConstraint)
10959 r"""Proxy of C++ IMP::core::SteepestDescent class."""
10961 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10963 def __init__(self, *args):
10964 r"""__init__(SteepestDescent self, Model m, std::string name="SteepestDescent%1%") -> SteepestDescent"""
10965 _IMP_core.SteepestDescent_swiginit(self, _IMP_core.new_SteepestDescent(*args))
10967 def do_optimize(self, max_steps):
10968 r"""do_optimize(SteepestDescent self, unsigned int max_steps) -> IMP::Float"""
10969 return _IMP_core.SteepestDescent_do_optimize(self, max_steps)
10971 def get_version_info(self):
10972 r"""get_version_info(SteepestDescent self) -> VersionInfo"""
10973 return _IMP_core.SteepestDescent_get_version_info(self)
10974 __swig_destroy__ = _IMP_core.delete_SteepestDescent
10976 def set_threshold(self, t):
10977 r"""set_threshold(SteepestDescent self, IMP::Float t)"""
10978 return _IMP_core.SteepestDescent_set_threshold(self, t)
10980 def set_step_size(self, t):
10981 r"""set_step_size(SteepestDescent self, IMP::Float t)"""
10982 return _IMP_core.SteepestDescent_set_step_size(self, t)
10984 def set_maximum_step_size(self, t):
10985 r"""set_maximum_step_size(SteepestDescent self, IMP::Float t)"""
10986 return _IMP_core.SteepestDescent_set_maximum_step_size(self, t)
10989 r"""__str__(SteepestDescent self) -> std::string"""
10990 return _IMP_core.SteepestDescent___str__(self)
10992 def __repr__(self):
10993 r"""__repr__(SteepestDescent self) -> std::string"""
10994 return _IMP_core.SteepestDescent___repr__(self)
10998 return _object_cast_to_SteepestDescent(o)
11002 _IMP_core.SteepestDescent_swigregister(SteepestDescent)
11004 r"""Proxy of C++ IMP::core::TransformedDistancePairScore class."""
11006 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11008 def __init__(self, f, transformation):
11009 r"""__init__(TransformedDistancePairScore self, UnaryFunction f, Transformation3D transformation) -> TransformedDistancePairScore"""
11010 _IMP_core.TransformedDistancePairScore_swiginit(self, _IMP_core.new_TransformedDistancePairScore(f, transformation))
11012 def set_transformation(self, rot):
11013 r"""set_transformation(TransformedDistancePairScore self, Transformation3D rot)"""
11014 return _IMP_core.TransformedDistancePairScore_set_transformation(self, rot)
11016 def do_get_inputs(self, m, pis):
11017 r"""do_get_inputs(TransformedDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
11018 return _IMP_core.TransformedDistancePairScore_do_get_inputs(self, m, pis)
11020 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
11021 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"""
11022 return _IMP_core.TransformedDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
11024 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
11025 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"""
11026 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
11028 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
11029 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"""
11030 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
11032 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
11033 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"""
11034 return _IMP_core.TransformedDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
11036 def get_version_info(self):
11037 r"""get_version_info(TransformedDistancePairScore self) -> VersionInfo"""
11038 return _IMP_core.TransformedDistancePairScore_get_version_info(self)
11039 __swig_destroy__ = _IMP_core.delete_TransformedDistancePairScore
11042 r"""__str__(TransformedDistancePairScore self) -> std::string"""
11043 return _IMP_core.TransformedDistancePairScore___str__(self)
11045 def __repr__(self):
11046 r"""__repr__(TransformedDistancePairScore self) -> std::string"""
11047 return _IMP_core.TransformedDistancePairScore___repr__(self)
11051 return _object_cast_to_TransformedDistancePairScore(o)
11055 _IMP_core.TransformedDistancePairScore_swigregister(TransformedDistancePairScore)
11057 r"""Proxy of C++ IMP::core::TypedPairScore class."""
11059 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11061 def __init__(self, typekey, allow_invalid_types=True):
11062 r"""__init__(TypedPairScore self, IntKey typekey, bool allow_invalid_types=True) -> TypedPairScore"""
11063 _IMP_core.TypedPairScore_swiginit(self, _IMP_core.new_TypedPairScore(typekey, allow_invalid_types))
11065 def set_particle_type(self, arg2):
11066 r"""set_particle_type(TypedPairScore self, Particle arg2)"""
11067 return _IMP_core.TypedPairScore_set_particle_type(self, arg2)
11069 def set_pair_score(self, ps, atype, btype):
11070 r"""set_pair_score(TypedPairScore self, PairScore ps, IMP::Int atype, IMP::Int btype)"""
11071 return _IMP_core.TypedPairScore_set_pair_score(self, ps, atype, btype)
11073 def do_get_inputs(self, m, pis):
11074 r"""do_get_inputs(TypedPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
11075 return _IMP_core.TypedPairScore_do_get_inputs(self, m, pis)
11077 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
11078 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"""
11079 return _IMP_core.TypedPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
11081 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
11082 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"""
11083 return _IMP_core.TypedPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
11085 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
11086 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"""
11087 return _IMP_core.TypedPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
11089 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
11090 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"""
11091 return _IMP_core.TypedPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
11093 def get_version_info(self):
11094 r"""get_version_info(TypedPairScore self) -> VersionInfo"""
11095 return _IMP_core.TypedPairScore_get_version_info(self)
11096 __swig_destroy__ = _IMP_core.delete_TypedPairScore
11099 r"""__str__(TypedPairScore self) -> std::string"""
11100 return _IMP_core.TypedPairScore___str__(self)
11102 def __repr__(self):
11103 r"""__repr__(TypedPairScore self) -> std::string"""
11104 return _IMP_core.TypedPairScore___repr__(self)
11108 return _object_cast_to_TypedPairScore(o)
11112 _IMP_core.TypedPairScore_swigregister(TypedPairScore)
11113 class RigidBodyDistancePairScore(KClosePairsPairScore):
11114 r"""Proxy of C++ IMP::core::RigidBodyDistancePairScore class."""
11116 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11118 def __init__(self, ps, r):
11119 r"""__init__(RigidBodyDistancePairScore self, PairScore ps, Refiner r) -> RigidBodyDistancePairScore"""
11120 _IMP_core.RigidBodyDistancePairScore_swiginit(self, _IMP_core.new_RigidBodyDistancePairScore(ps, r))
11123 r"""__str__(RigidBodyDistancePairScore self) -> std::string"""
11124 return _IMP_core.RigidBodyDistancePairScore___str__(self)
11126 def __repr__(self):
11127 r"""__repr__(RigidBodyDistancePairScore self) -> std::string"""
11128 return _IMP_core.RigidBodyDistancePairScore___repr__(self)
11132 return _object_cast_to_RigidBodyDistancePairScore(o)
11134 __swig_destroy__ = _IMP_core.delete_RigidBodyDistancePairScore
11137 _IMP_core.RigidBodyDistancePairScore_swigregister(RigidBodyDistancePairScore)
11139 r"""Proxy of C++ IMP::core::RigidBodyAnglePairScore class."""
11141 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11143 def __init__(self, f):
11144 r"""__init__(RigidBodyAnglePairScore self, UnaryFunction f) -> RigidBodyAnglePairScore"""
11145 _IMP_core.RigidBodyAnglePairScore_swiginit(self, _IMP_core.new_RigidBodyAnglePairScore(f))
11147 def do_get_inputs(self, m, pis):
11148 r"""do_get_inputs(RigidBodyAnglePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
11149 return _IMP_core.RigidBodyAnglePairScore_do_get_inputs(self, m, pis)
11151 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
11152 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"""
11153 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
11155 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
11156 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"""
11157 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
11159 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
11160 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"""
11161 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
11163 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
11164 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"""
11165 return _IMP_core.RigidBodyAnglePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
11167 def get_version_info(self):
11168 r"""get_version_info(RigidBodyAnglePairScore self) -> VersionInfo"""
11169 return _IMP_core.RigidBodyAnglePairScore_get_version_info(self)
11170 __swig_destroy__ = _IMP_core.delete_RigidBodyAnglePairScore
11173 r"""__str__(RigidBodyAnglePairScore self) -> std::string"""
11174 return _IMP_core.RigidBodyAnglePairScore___str__(self)
11176 def __repr__(self):
11177 r"""__repr__(RigidBodyAnglePairScore self) -> std::string"""
11178 return _IMP_core.RigidBodyAnglePairScore___repr__(self)
11182 return _object_cast_to_RigidBodyAnglePairScore(o)
11186 _IMP_core.RigidBodyAnglePairScore_swigregister(RigidBodyAnglePairScore)
11188 r"""Proxy of C++ IMP::core::TableRefiner class."""
11190 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11192 def __init__(self):
11193 r"""__init__(TableRefiner self) -> TableRefiner"""
11194 _IMP_core.TableRefiner_swiginit(self, _IMP_core.new_TableRefiner())
11197 r"""add_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
11198 return _IMP_core.TableRefiner_add_particle(self, p, ps)
11200 def remove_particle(self, p):
11201 r"""remove_particle(TableRefiner self, Particle p)"""
11202 return _IMP_core.TableRefiner_remove_particle(self, p)
11204 def set_particle(self, p, ps):
11205 r"""set_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
11206 return _IMP_core.TableRefiner_set_particle(self, p, ps)
11208 def do_get_inputs(self, m, pis):
11209 r"""do_get_inputs(TableRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
11210 return _IMP_core.TableRefiner_do_get_inputs(self, m, pis)
11212 def get_version_info(self):
11213 r"""get_version_info(TableRefiner self) -> VersionInfo"""
11214 return _IMP_core.TableRefiner_get_version_info(self)
11215 __swig_destroy__ = _IMP_core.delete_TableRefiner
11218 r"""__str__(TableRefiner self) -> std::string"""
11219 return _IMP_core.TableRefiner___str__(self)
11221 def __repr__(self):
11222 r"""__repr__(TableRefiner self) -> std::string"""
11223 return _IMP_core.TableRefiner___repr__(self)
11227 return _object_cast_to_TableRefiner(o)
11231 _IMP_core.TableRefiner_swigregister(TableRefiner)
11232 LOWER = _IMP_core.LOWER
11234 BOTH = _IMP_core.BOTH
11236 UPPER = _IMP_core.UPPER
11239 r"""Proxy of C++ IMP::core::MCCGSampler class."""
11241 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11243 def __init__(self, *args):
11244 r"""__init__(MCCGSampler self, Model m, std::string name="MCCG Sampler %1%") -> MCCGSampler"""
11245 _IMP_core.MCCGSampler_swiginit(self, _IMP_core.new_MCCGSampler(*args))
11247 def set_bounding_box(self, bb):
11248 r"""set_bounding_box(MCCGSampler self, BoundingBox3D bb)"""
11249 return _IMP_core.MCCGSampler_set_bounding_box(self, bb)
11251 def set_number_of_attempts(self, att):
11252 r"""set_number_of_attempts(MCCGSampler self, unsigned int att)"""
11253 return _IMP_core.MCCGSampler_set_number_of_attempts(self, att)
11255 def set_number_of_monte_carlo_steps(self, cg):
11256 r"""set_number_of_monte_carlo_steps(MCCGSampler self, unsigned int cg)"""
11257 return _IMP_core.MCCGSampler_set_number_of_monte_carlo_steps(self, cg)
11259 def set_number_of_conjugate_gradient_steps(self, cg):
11260 r"""set_number_of_conjugate_gradient_steps(MCCGSampler self, unsigned int cg)"""
11261 return _IMP_core.MCCGSampler_set_number_of_conjugate_gradient_steps(self, cg)
11263 def set_max_monte_carlo_step_size(self, *args):
11265 set_max_monte_carlo_step_size(MCCGSampler self, double d)
11266 set_max_monte_carlo_step_size(MCCGSampler self, FloatKey k, double d)
11268 return _IMP_core.MCCGSampler_set_max_monte_carlo_step_size(self, *args)
11270 def set_is_refining(self, tf):
11271 r"""set_is_refining(MCCGSampler self, bool tf)"""
11272 return _IMP_core.MCCGSampler_set_is_refining(self, tf)
11274 def set_local_optimizer(self, opt):
11275 r"""set_local_optimizer(MCCGSampler self, Optimizer opt)"""
11276 return _IMP_core.MCCGSampler_set_local_optimizer(self, opt)
11278 def set_save_rejected_configurations(self, tf):
11279 r"""set_save_rejected_configurations(MCCGSampler self, bool tf)"""
11280 return _IMP_core.MCCGSampler_set_save_rejected_configurations(self, tf)
11282 def get_rejected_configurations(self):
11283 r"""get_rejected_configurations(MCCGSampler self) -> ConfigurationSet"""
11284 return _IMP_core.MCCGSampler_get_rejected_configurations(self)
11285 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)
11286 def __set_optimizer_states(self, obj): IMP._list_util.set_varlist(self.optimizer_states, obj)
11287 def __del_optimizer_states(self): IMP._list_util.del_varlist(self.optimizer_states)
11288 optimizer_states = property(__get_optimizer_states, __set_optimizer_states, __del_optimizer_states, doc=
"List of ##ucnames")
11290 def remove_optimizer_state(self, d):
11291 r"""remove_optimizer_state(MCCGSampler self, OptimizerState d)"""
11292 return _IMP_core.MCCGSampler_remove_optimizer_state(self, d)
11294 def _python_index_optimizer_state(self, d, start, stop):
11295 r"""_python_index_optimizer_state(MCCGSampler self, OptimizerState d, unsigned int start, unsigned int stop) -> unsigned int"""
11296 return _IMP_core.MCCGSampler__python_index_optimizer_state(self, d, start, stop)
11298 def remove_optimizer_states(self, d):
11299 r"""remove_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & d)"""
11300 return _IMP_core.MCCGSampler_remove_optimizer_states(self, d)
11302 def set_optimizer_states(self, ps):
11303 r"""set_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & ps)"""
11304 return _IMP_core.MCCGSampler_set_optimizer_states(self, ps)
11306 def set_optimizer_states_order(self, objs):
11307 r"""set_optimizer_states_order(MCCGSampler self, IMP::OptimizerStates const & objs)"""
11308 return _IMP_core.MCCGSampler_set_optimizer_states_order(self, objs)
11310 def add_optimizer_state(self, obj):
11311 r"""add_optimizer_state(MCCGSampler self, OptimizerState obj) -> unsigned int"""
11312 return _IMP_core.MCCGSampler_add_optimizer_state(self, obj)
11314 def add_optimizer_states(self, objs):
11315 r"""add_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & objs)"""
11316 return _IMP_core.MCCGSampler_add_optimizer_states(self, objs)
11318 def clear_optimizer_states(self):
11319 r"""clear_optimizer_states(MCCGSampler self)"""
11320 return _IMP_core.MCCGSampler_clear_optimizer_states(self)
11322 def get_number_of_optimizer_states(self):
11323 r"""get_number_of_optimizer_states(MCCGSampler self) -> unsigned int"""
11324 return _IMP_core.MCCGSampler_get_number_of_optimizer_states(self)
11326 def get_has_optimizer_states(self):
11327 r"""get_has_optimizer_states(MCCGSampler self) -> bool"""
11328 return _IMP_core.MCCGSampler_get_has_optimizer_states(self)
11330 def get_optimizer_state(self, i):
11331 r"""get_optimizer_state(MCCGSampler self, unsigned int i) -> OptimizerState"""
11332 return _IMP_core.MCCGSampler_get_optimizer_state(self, i)
11334 def get_optimizer_states(self):
11335 r"""get_optimizer_states(MCCGSampler self) -> IMP::OptimizerStates"""
11336 return _IMP_core.MCCGSampler_get_optimizer_states(self)
11338 def erase_optimizer_state(self, i):
11339 r"""erase_optimizer_state(MCCGSampler self, unsigned int i)"""
11340 return _IMP_core.MCCGSampler_erase_optimizer_state(self, i)
11342 def reserve_optimizer_states(self, sz):
11343 r"""reserve_optimizer_states(MCCGSampler self, unsigned int sz)"""
11344 return _IMP_core.MCCGSampler_reserve_optimizer_states(self, sz)
11346 def do_sample(self):
11347 r"""do_sample(MCCGSampler self) -> ConfigurationSet"""
11348 return _IMP_core.MCCGSampler_do_sample(self)
11350 def get_version_info(self):
11351 r"""get_version_info(MCCGSampler self) -> VersionInfo"""
11352 return _IMP_core.MCCGSampler_get_version_info(self)
11353 __swig_destroy__ = _IMP_core.delete_MCCGSampler
11356 r"""__str__(MCCGSampler self) -> std::string"""
11357 return _IMP_core.MCCGSampler___str__(self)
11359 def __repr__(self):
11360 r"""__repr__(MCCGSampler self) -> std::string"""
11361 return _IMP_core.MCCGSampler___repr__(self)
11365 return _object_cast_to_MCCGSampler(o)
11369 _IMP_core.MCCGSampler_swigregister(MCCGSampler)
11371 r"""Proxy of C++ IMP::core::MinimumRestraint class."""
11373 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11375 def __init__(self, *args):
11376 r"""__init__(MinimumRestraint self, unsigned int num, IMP::Restraints const & rs=IMP::Restraints(), std::string name="MinimumRestraint %1%") -> MinimumRestraint"""
11377 _IMP_core.MinimumRestraint_swiginit(self, _IMP_core.new_MinimumRestraint(*args))
11379 def do_get_inputs(self):
11380 r"""do_get_inputs(MinimumRestraint self) -> IMP::ModelObjectsTemp"""
11381 return _IMP_core.MinimumRestraint_do_get_inputs(self)
11383 def get_version_info(self):
11384 r"""get_version_info(MinimumRestraint self) -> VersionInfo"""
11385 return _IMP_core.MinimumRestraint_get_version_info(self)
11386 __swig_destroy__ = _IMP_core.delete_MinimumRestraint
11387 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)
11388 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
11389 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
11390 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##ucnames")
11392 def remove_restraint(self, d):
11393 r"""remove_restraint(MinimumRestraint self, Restraint d)"""
11394 return _IMP_core.MinimumRestraint_remove_restraint(self, d)
11396 def _python_index_restraint(self, d, start, stop):
11397 r"""_python_index_restraint(MinimumRestraint self, Restraint d, unsigned int start, unsigned int stop) -> unsigned int"""
11398 return _IMP_core.MinimumRestraint__python_index_restraint(self, d, start, stop)
11400 def remove_restraints(self, d):
11401 r"""remove_restraints(MinimumRestraint self, IMP::Restraints const & d)"""
11402 return _IMP_core.MinimumRestraint_remove_restraints(self, d)
11404 def set_restraints(self, ps):
11405 r"""set_restraints(MinimumRestraint self, IMP::Restraints const & ps)"""
11406 return _IMP_core.MinimumRestraint_set_restraints(self, ps)
11408 def set_restraints_order(self, objs):
11409 r"""set_restraints_order(MinimumRestraint self, IMP::Restraints const & objs)"""
11410 return _IMP_core.MinimumRestraint_set_restraints_order(self, objs)
11413 r"""add_restraint(MinimumRestraint self, Restraint obj) -> unsigned int"""
11414 return _IMP_core.MinimumRestraint_add_restraint(self, obj)
11417 r"""add_restraints(MinimumRestraint self, IMP::Restraints const & objs)"""
11418 return _IMP_core.MinimumRestraint_add_restraints(self, objs)
11420 def clear_restraints(self):
11421 r"""clear_restraints(MinimumRestraint self)"""
11422 return _IMP_core.MinimumRestraint_clear_restraints(self)
11424 def get_number_of_restraints(self):
11425 r"""get_number_of_restraints(MinimumRestraint self) -> unsigned int"""
11426 return _IMP_core.MinimumRestraint_get_number_of_restraints(self)
11428 def get_has_restraints(self):
11429 r"""get_has_restraints(MinimumRestraint self) -> bool"""
11430 return _IMP_core.MinimumRestraint_get_has_restraints(self)
11432 def get_restraint(self, i):
11433 r"""get_restraint(MinimumRestraint self, unsigned int i) -> Restraint"""
11434 return _IMP_core.MinimumRestraint_get_restraint(self, i)
11436 def get_restraints(self):
11437 r"""get_restraints(MinimumRestraint self) -> IMP::Restraints"""
11438 return _IMP_core.MinimumRestraint_get_restraints(self)
11440 def erase_restraint(self, i):
11441 r"""erase_restraint(MinimumRestraint self, unsigned int i)"""
11442 return _IMP_core.MinimumRestraint_erase_restraint(self, i)
11444 def reserve_restraints(self, sz):
11445 r"""reserve_restraints(MinimumRestraint self, unsigned int sz)"""
11446 return _IMP_core.MinimumRestraint_reserve_restraints(self, sz)
11449 r"""__str__(MinimumRestraint self) -> std::string"""
11450 return _IMP_core.MinimumRestraint___str__(self)
11452 def __repr__(self):
11453 r"""__repr__(MinimumRestraint self) -> std::string"""
11454 return _IMP_core.MinimumRestraint___repr__(self)
11458 return _object_cast_to_MinimumRestraint(o)
11462 _IMP_core.MinimumRestraint_swigregister(MinimumRestraint)
11463 class Gaussian(RigidBody):
11464 r"""Proxy of C++ IMP::core::Gaussian class."""
11466 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11468 def __init__(self, *args):
11470 __init__(Gaussian self) -> Gaussian
11471 __init__(Gaussian self, Model m, ParticleIndex id) -> Gaussian
11472 __init__(Gaussian self, _ParticleAdaptor d) -> Gaussian
11474 _IMP_core.Gaussian_swiginit(self, _IMP_core.new_Gaussian(*args))
11476 def show(self, *args):
11477 r"""show(Gaussian self, _ostream out=std::cout)"""
11478 return _IMP_core.Gaussian_show(self, *args)
11481 def setup_particle(*args):
11483 setup_particle(Model m, ParticleIndex pi) -> Gaussian
11484 setup_particle(_ParticleAdaptor pa) -> Gaussian
11485 setup_particle(Model m, ParticleIndex pi, Gaussian3D g) -> Gaussian
11486 setup_particle(_ParticleAdaptor pa, Gaussian3D g) -> Gaussian
11488 return _IMP_core.Gaussian_setup_particle(*args)
11491 def get_local_covariance_key():
11492 r"""get_local_covariance_key() -> ObjectKey"""
11493 return _IMP_core.Gaussian_get_local_covariance_key()
11496 def get_global_covariance_key():
11497 r"""get_global_covariance_key() -> ObjectKey"""
11498 return _IMP_core.Gaussian_get_global_covariance_key()
11501 def get_is_setup(*args):
11503 get_is_setup(_ParticleAdaptor p) -> bool
11504 get_is_setup(Model m, ParticleIndex pi) -> bool
11506 return _IMP_core.Gaussian_get_is_setup(*args)
11508 def get_local_covariance(self):
11509 r"""get_local_covariance(Gaussian self) -> Eigen::Matrix3d"""
11510 return _IMP_core.Gaussian_get_local_covariance(self)
11512 def get_variances(self):
11513 r"""get_variances(Gaussian self) -> Vector3D"""
11514 return _IMP_core.Gaussian_get_variances(self)
11516 def get_global_covariance(self):
11517 r"""get_global_covariance(Gaussian self) -> Eigen::Matrix3d"""
11518 return _IMP_core.Gaussian_get_global_covariance(self)
11520 def get_gaussian(self):
11521 r"""get_gaussian(Gaussian self) -> Gaussian3D"""
11522 return _IMP_core.Gaussian_get_gaussian(self)
11524 def set_gaussian(self, g):
11525 r"""set_gaussian(Gaussian self, Gaussian3D g)"""
11526 return _IMP_core.Gaussian_set_gaussian(self, g)
11528 def set_local_covariance(self, covar):
11529 r"""set_local_covariance(Gaussian self, Eigen::Vector3d const covar)"""
11530 return _IMP_core.Gaussian_set_local_covariance(self, covar)
11532 def set_variances(self, v):
11533 r"""set_variances(Gaussian self, Vector3D v)"""
11534 return _IMP_core.Gaussian_set_variances(self, v)
11536 def set_global_covariance(self, covar):
11537 r"""set_global_covariance(Gaussian self, Eigen::Matrix3d covar)"""
11538 return _IMP_core.Gaussian_set_global_covariance(self, covar)
11540 def update_global_covariance(self):
11541 r"""update_global_covariance(Gaussian self)"""
11542 return _IMP_core.Gaussian_update_global_covariance(self)
11544 def add_attribute(self, *args):
11546 add_attribute(Gaussian self, FloatKey k, IMP::Float v, bool opt)
11547 add_attribute(Gaussian self, FloatKey a0, IMP::Float a1)
11548 add_attribute(Gaussian self, IntKey a0, IMP::Int a1)
11549 add_attribute(Gaussian self, FloatsKey a0, IMP::Floats a1)
11550 add_attribute(Gaussian self, IntsKey a0, IMP::Ints a1)
11551 add_attribute(Gaussian self, StringKey a0, IMP::String a1)
11552 add_attribute(Gaussian self, ParticleIndexKey a0, Particle a1)
11553 add_attribute(Gaussian self, ObjectKey a0, Object a1)
11554 add_attribute(Gaussian self, SparseFloatKey a0, IMP::Float a1)
11555 add_attribute(Gaussian self, SparseIntKey a0, IMP::Int a1)
11556 add_attribute(Gaussian self, SparseStringKey a0, IMP::String a1)
11557 add_attribute(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
11559 return _IMP_core.Gaussian_add_attribute(self, *args)
11561 def get_value(self, *args):
11563 get_value(Gaussian self, FloatKey a0) -> IMP::Float
11564 get_value(Gaussian self, IntKey a0) -> IMP::Int
11565 get_value(Gaussian self, FloatsKey a0) -> IMP::Floats
11566 get_value(Gaussian self, IntsKey a0) -> IMP::Ints
11567 get_value(Gaussian self, StringKey a0) -> IMP::String
11568 get_value(Gaussian self, ParticleIndexKey a0) -> Particle
11569 get_value(Gaussian self, ObjectKey a0) -> Object
11570 get_value(Gaussian self, SparseFloatKey a0) -> IMP::Float
11571 get_value(Gaussian self, SparseIntKey a0) -> IMP::Int
11572 get_value(Gaussian self, SparseStringKey a0) -> IMP::String
11573 get_value(Gaussian self, SparseParticleIndexKey a0) -> ParticleIndex
11575 return _IMP_core.Gaussian_get_value(self, *args)
11577 def set_value(self, *args):
11579 set_value(Gaussian self, FloatKey a0, IMP::Float a1)
11580 set_value(Gaussian self, IntKey a0, IMP::Int a1)
11581 set_value(Gaussian self, FloatsKey a0, IMP::Floats a1)
11582 set_value(Gaussian self, IntsKey a0, IMP::Ints a1)
11583 set_value(Gaussian self, StringKey a0, IMP::String a1)
11584 set_value(Gaussian self, ParticleIndexKey a0, Particle a1)
11585 set_value(Gaussian self, ObjectKey a0, Object a1)
11586 set_value(Gaussian self, SparseFloatKey a0, IMP::Float a1)
11587 set_value(Gaussian self, SparseIntKey a0, IMP::Int a1)
11588 set_value(Gaussian self, SparseStringKey a0, IMP::String a1)
11589 set_value(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
11591 return _IMP_core.Gaussian_set_value(self, *args)
11593 def remove_attribute(self, *args):
11595 remove_attribute(Gaussian self, FloatKey a0)
11596 remove_attribute(Gaussian self, IntKey a0)
11597 remove_attribute(Gaussian self, FloatsKey a0)
11598 remove_attribute(Gaussian self, IntsKey a0)
11599 remove_attribute(Gaussian self, StringKey a0)
11600 remove_attribute(Gaussian self, ParticleIndexKey a0)
11601 remove_attribute(Gaussian self, ObjectKey a0)
11602 remove_attribute(Gaussian self, SparseFloatKey a0)
11603 remove_attribute(Gaussian self, SparseIntKey a0)
11604 remove_attribute(Gaussian self, SparseStringKey a0)
11605 remove_attribute(Gaussian self, SparseParticleIndexKey a0)
11607 return _IMP_core.Gaussian_remove_attribute(self, *args)
11609 def has_attribute(self, *args):
11611 has_attribute(Gaussian self, FloatKey a0) -> bool
11612 has_attribute(Gaussian self, IntKey a0) -> bool
11613 has_attribute(Gaussian self, FloatsKey a0) -> bool
11614 has_attribute(Gaussian self, IntsKey a0) -> bool
11615 has_attribute(Gaussian self, StringKey a0) -> bool
11616 has_attribute(Gaussian self, ParticleIndexKey a0) -> bool
11617 has_attribute(Gaussian self, ObjectKey a0) -> bool
11618 has_attribute(Gaussian self, SparseFloatKey a0) -> bool
11619 has_attribute(Gaussian self, SparseIntKey a0) -> bool
11620 has_attribute(Gaussian self, SparseStringKey a0) -> bool
11621 has_attribute(Gaussian self, SparseParticleIndexKey a0) -> bool
11623 return _IMP_core.Gaussian_has_attribute(self, *args)
11625 def get_derivative(self, a0):
11626 r"""get_derivative(Gaussian self, FloatKey a0) -> double"""
11627 return _IMP_core.Gaussian_get_derivative(self, a0)
11629 def get_name(self):
11630 r"""get_name(Gaussian self) -> std::string"""
11631 return _IMP_core.Gaussian_get_name(self)
11633 def clear_caches(self):
11634 r"""clear_caches(Gaussian self)"""
11635 return _IMP_core.Gaussian_clear_caches(self)
11637 def set_name(self, a0):
11638 r"""set_name(Gaussian self, std::string a0)"""
11639 return _IMP_core.Gaussian_set_name(self, a0)
11642 r"""set_check_level(Gaussian self, IMP::CheckLevel a0)"""
11643 return _IMP_core.Gaussian_set_check_level(self, a0)
11645 def add_to_derivative(self, a0, a1, a2):
11646 r"""add_to_derivative(Gaussian self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
11647 return _IMP_core.Gaussian_add_to_derivative(self, a0, a1, a2)
11649 def set_is_optimized(self, a0, a1):
11650 r"""set_is_optimized(Gaussian self, FloatKey a0, bool a1)"""
11651 return _IMP_core.Gaussian_set_is_optimized(self, a0, a1)
11653 def get_is_optimized(self, a0):
11654 r"""get_is_optimized(Gaussian self, FloatKey a0) -> bool"""
11655 return _IMP_core.Gaussian_get_is_optimized(self, a0)
11658 r"""get_check_level(Gaussian self) -> IMP::CheckLevel"""
11659 return _IMP_core.Gaussian_get_check_level(self)
11661 def __eq__(self, *args):
11663 __eq__(Gaussian self, Gaussian o) -> bool
11664 __eq__(Gaussian self, Particle d) -> bool
11666 return _IMP_core.Gaussian___eq__(self, *args)
11668 def __ne__(self, *args):
11670 __ne__(Gaussian self, Gaussian o) -> bool
11671 __ne__(Gaussian self, Particle d) -> bool
11673 return _IMP_core.Gaussian___ne__(self, *args)
11675 def __le__(self, *args):
11677 __le__(Gaussian self, Gaussian o) -> bool
11678 __le__(Gaussian self, Particle d) -> bool
11680 return _IMP_core.Gaussian___le__(self, *args)
11682 def __lt__(self, *args):
11684 __lt__(Gaussian self, Gaussian o) -> bool
11685 __lt__(Gaussian self, Particle d) -> bool
11687 return _IMP_core.Gaussian___lt__(self, *args)
11689 def __ge__(self, *args):
11691 __ge__(Gaussian self, Gaussian o) -> bool
11692 __ge__(Gaussian self, Particle d) -> bool
11694 return _IMP_core.Gaussian___ge__(self, *args)
11696 def __gt__(self, *args):
11698 __gt__(Gaussian self, Gaussian o) -> bool
11699 __gt__(Gaussian self, Particle d) -> bool
11701 return _IMP_core.Gaussian___gt__(self, *args)
11703 def __hash__(self):
11704 r"""__hash__(Gaussian self) -> std::size_t"""
11705 return _IMP_core.Gaussian___hash__(self)
11708 r"""__str__(Gaussian self) -> std::string"""
11709 return _IMP_core.Gaussian___str__(self)
11711 def __repr__(self):
11712 r"""__repr__(Gaussian self) -> std::string"""
11713 return _IMP_core.Gaussian___repr__(self)
11715 def _get_as_binary(self):
11716 r"""_get_as_binary(Gaussian self) -> PyObject *"""
11717 return _IMP_core.Gaussian__get_as_binary(self)
11719 def _set_from_binary(self, p):
11720 r"""_set_from_binary(Gaussian self, PyObject * p)"""
11721 return _IMP_core.Gaussian__set_from_binary(self, p)
11723 def __getstate__(self):
11724 p = self._get_as_binary()
11725 if len(self.__dict__) > 1:
11726 d = self.__dict__.copy()
11731 def __setstate__(self, p):
11732 if not hasattr(self,
'this'):
11734 if isinstance(p, tuple):
11736 self.__dict__.update(d)
11737 return self._set_from_binary(p)
11739 __swig_destroy__ = _IMP_core.delete_Gaussian
11742 _IMP_core.Gaussian_swigregister(Gaussian)
11744 r"""Proxy of C++ IMP::core::PairRestraint class."""
11746 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11748 def __init__(self, *args):
11750 __init__(PairRestraint self, Model m, PairScore ss, IMP::ParticleIndexPair const & vt, std::string name="PairRestraint %1%") -> PairRestraint
11751 __init__(PairRestraint self) -> PairRestraint
11753 _IMP_core.PairRestraint_swiginit(self, _IMP_core.new_PairRestraint(*args))
11755 def get_score_object(self):
11756 r"""get_score_object(PairRestraint self) -> PairScore"""
11757 return _IMP_core.PairRestraint_get_score_object(self)
11760 r"""get_index(PairRestraint self) -> IMP::PairScore::IndexArgument"""
11761 return _IMP_core.PairRestraint_get_index(self)
11763 def get_version_info(self):
11764 r"""get_version_info(PairRestraint self) -> VersionInfo"""
11765 return _IMP_core.PairRestraint_get_version_info(self)
11766 __swig_destroy__ = _IMP_core.delete_PairRestraint
11769 r"""__str__(PairRestraint self) -> std::string"""
11770 return _IMP_core.PairRestraint___str__(self)
11772 def __repr__(self):
11773 r"""__repr__(PairRestraint self) -> std::string"""
11774 return _IMP_core.PairRestraint___repr__(self)
11778 return _object_cast_to_PairRestraint(o)
11781 def _get_as_binary(self):
11782 r"""_get_as_binary(PairRestraint self) -> PyObject *"""
11783 return _IMP_core.PairRestraint__get_as_binary(self)
11785 def _set_from_binary(self, p):
11786 r"""_set_from_binary(PairRestraint self, PyObject * p)"""
11787 return _IMP_core.PairRestraint__set_from_binary(self, p)
11789 def __getstate__(self):
11790 p = self._get_as_binary()
11791 if len(self.__dict__) > 1:
11792 d = self.__dict__.copy()
11797 def __setstate__(self, p):
11798 if not hasattr(self,
'this'):
11800 if isinstance(p, tuple):
11802 self.__dict__.update(d)
11803 return self._set_from_binary(p)
11806 def _get_jax(self, space):
11807 from .
import _jax_util
11808 return _jax_util._get_jax_restraint(self, space)
11811 def _get_jax_multiple(cls, restraints, space):
11812 from .
import _jax_util
11813 return _jax_util._get_jax_multi_restraint(cls, restraints, space)
11817 _IMP_core.PairRestraint_swigregister(PairRestraint)
11819 r"""Proxy of C++ IMP::core::SingletonRestraint class."""
11821 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11823 def __init__(self, *args):
11825 __init__(SingletonRestraint self, Model m, SingletonScore ss, ParticleIndex vt, std::string name="SingletonRestraint %1%") -> SingletonRestraint
11826 __init__(SingletonRestraint self) -> SingletonRestraint
11828 _IMP_core.SingletonRestraint_swiginit(self, _IMP_core.new_SingletonRestraint(*args))
11830 def get_score_object(self):
11831 r"""get_score_object(SingletonRestraint self) -> SingletonScore"""
11832 return _IMP_core.SingletonRestraint_get_score_object(self)
11835 r"""get_index(SingletonRestraint self) -> ParticleIndex"""
11836 return _IMP_core.SingletonRestraint_get_index(self)
11838 def get_version_info(self):
11839 r"""get_version_info(SingletonRestraint self) -> VersionInfo"""
11840 return _IMP_core.SingletonRestraint_get_version_info(self)
11841 __swig_destroy__ = _IMP_core.delete_SingletonRestraint
11844 r"""__str__(SingletonRestraint self) -> std::string"""
11845 return _IMP_core.SingletonRestraint___str__(self)
11847 def __repr__(self):
11848 r"""__repr__(SingletonRestraint self) -> std::string"""
11849 return _IMP_core.SingletonRestraint___repr__(self)
11853 return _object_cast_to_SingletonRestraint(o)
11856 def _get_as_binary(self):
11857 r"""_get_as_binary(SingletonRestraint self) -> PyObject *"""
11858 return _IMP_core.SingletonRestraint__get_as_binary(self)
11860 def _set_from_binary(self, p):
11861 r"""_set_from_binary(SingletonRestraint self, PyObject * p)"""
11862 return _IMP_core.SingletonRestraint__set_from_binary(self, p)
11864 def __getstate__(self):
11865 p = self._get_as_binary()
11866 if len(self.__dict__) > 1:
11867 d = self.__dict__.copy()
11872 def __setstate__(self, p):
11873 if not hasattr(self,
'this'):
11875 if isinstance(p, tuple):
11877 self.__dict__.update(d)
11878 return self._set_from_binary(p)
11881 def _get_jax(self, space):
11882 from .
import _jax_util
11883 return _jax_util._get_jax_restraint(self, space)
11886 def _get_jax_multiple(cls, restraints, space):
11887 from .
import _jax_util
11888 return _jax_util._get_jax_multi_restraint(cls, restraints, space)
11892 _IMP_core.SingletonRestraint_swigregister(SingletonRestraint)
11894 r"""Proxy of C++ IMP::core::TripletRestraint class."""
11896 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11898 def __init__(self, *args):
11900 __init__(TripletRestraint self, Model m, TripletScore ss, IMP::ParticleIndexTriplet const & vt, std::string name="TripletRestraint %1%") -> TripletRestraint
11901 __init__(TripletRestraint self) -> TripletRestraint
11903 _IMP_core.TripletRestraint_swiginit(self, _IMP_core.new_TripletRestraint(*args))
11905 def get_score_object(self):
11906 r"""get_score_object(TripletRestraint self) -> TripletScore"""
11907 return _IMP_core.TripletRestraint_get_score_object(self)
11910 r"""get_index(TripletRestraint self) -> IMP::TripletScore::IndexArgument"""
11911 return _IMP_core.TripletRestraint_get_index(self)
11913 def get_version_info(self):
11914 r"""get_version_info(TripletRestraint self) -> VersionInfo"""
11915 return _IMP_core.TripletRestraint_get_version_info(self)
11916 __swig_destroy__ = _IMP_core.delete_TripletRestraint
11919 r"""__str__(TripletRestraint self) -> std::string"""
11920 return _IMP_core.TripletRestraint___str__(self)
11922 def __repr__(self):
11923 r"""__repr__(TripletRestraint self) -> std::string"""
11924 return _IMP_core.TripletRestraint___repr__(self)
11928 return _object_cast_to_TripletRestraint(o)
11931 def _get_as_binary(self):
11932 r"""_get_as_binary(TripletRestraint self) -> PyObject *"""
11933 return _IMP_core.TripletRestraint__get_as_binary(self)
11935 def _set_from_binary(self, p):
11936 r"""_set_from_binary(TripletRestraint self, PyObject * p)"""
11937 return _IMP_core.TripletRestraint__set_from_binary(self, p)
11939 def __getstate__(self):
11940 p = self._get_as_binary()
11941 if len(self.__dict__) > 1:
11942 d = self.__dict__.copy()
11947 def __setstate__(self, p):
11948 if not hasattr(self,
'this'):
11950 if isinstance(p, tuple):
11952 self.__dict__.update(d)
11953 return self._set_from_binary(p)
11957 _IMP_core.TripletRestraint_swigregister(TripletRestraint)
11959 r"""Proxy of C++ IMP::core::QuadRestraint class."""
11961 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11963 def __init__(self, *args):
11965 __init__(QuadRestraint self, Model m, QuadScore ss, IMP::ParticleIndexQuad const & vt, std::string name="QuadRestraint %1%") -> QuadRestraint
11966 __init__(QuadRestraint self) -> QuadRestraint
11968 _IMP_core.QuadRestraint_swiginit(self, _IMP_core.new_QuadRestraint(*args))
11970 def get_score_object(self):
11971 r"""get_score_object(QuadRestraint self) -> QuadScore"""
11972 return _IMP_core.QuadRestraint_get_score_object(self)
11975 r"""get_index(QuadRestraint self) -> IMP::QuadScore::IndexArgument"""
11976 return _IMP_core.QuadRestraint_get_index(self)
11978 def get_version_info(self):
11979 r"""get_version_info(QuadRestraint self) -> VersionInfo"""
11980 return _IMP_core.QuadRestraint_get_version_info(self)
11981 __swig_destroy__ = _IMP_core.delete_QuadRestraint
11984 r"""__str__(QuadRestraint self) -> std::string"""
11985 return _IMP_core.QuadRestraint___str__(self)
11987 def __repr__(self):
11988 r"""__repr__(QuadRestraint self) -> std::string"""
11989 return _IMP_core.QuadRestraint___repr__(self)
11993 return _object_cast_to_QuadRestraint(o)
11996 def _get_as_binary(self):
11997 r"""_get_as_binary(QuadRestraint self) -> PyObject *"""
11998 return _IMP_core.QuadRestraint__get_as_binary(self)
12000 def _set_from_binary(self, p):
12001 r"""_set_from_binary(QuadRestraint self, PyObject * p)"""
12002 return _IMP_core.QuadRestraint__set_from_binary(self, p)
12004 def __getstate__(self):
12005 p = self._get_as_binary()
12006 if len(self.__dict__) > 1:
12007 d = self.__dict__.copy()
12012 def __setstate__(self, p):
12013 if not hasattr(self,
'this'):
12015 if isinstance(p, tuple):
12017 self.__dict__.update(d)
12018 return self._set_from_binary(p)
12022 _IMP_core.QuadRestraint_swigregister(QuadRestraint)
12024 r"""Proxy of C++ IMP::core::SingletonConstraint class."""
12026 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12028 def __init__(self, *args):
12030 __init__(SingletonConstraint self, SingletonModifier before, SingletonModifier after, Model m, ParticleIndex vt, std::string name="SingletonConstraint %1%", bool can_skip=False) -> SingletonConstraint
12031 __init__(SingletonConstraint self) -> SingletonConstraint
12033 _IMP_core.SingletonConstraint_swiginit(self, _IMP_core.new_SingletonConstraint(*args))
12035 def get_before_modifier(self):
12036 r"""get_before_modifier(SingletonConstraint self) -> SingletonModifier"""
12037 return _IMP_core.SingletonConstraint_get_before_modifier(self)
12040 r"""get_index(SingletonConstraint self) -> ParticleIndex"""
12041 return _IMP_core.SingletonConstraint_get_index(self)
12043 def get_version_info(self):
12044 r"""get_version_info(SingletonConstraint self) -> VersionInfo"""
12045 return _IMP_core.SingletonConstraint_get_version_info(self)
12046 __swig_destroy__ = _IMP_core.delete_SingletonConstraint
12049 r"""__str__(SingletonConstraint self) -> std::string"""
12050 return _IMP_core.SingletonConstraint___str__(self)
12052 def __repr__(self):
12053 r"""__repr__(SingletonConstraint self) -> std::string"""
12054 return _IMP_core.SingletonConstraint___repr__(self)
12058 return _object_cast_to_SingletonConstraint(o)
12061 def _get_as_binary(self):
12062 r"""_get_as_binary(SingletonConstraint self) -> PyObject *"""
12063 return _IMP_core.SingletonConstraint__get_as_binary(self)
12065 def _set_from_binary(self, p):
12066 r"""_set_from_binary(SingletonConstraint self, PyObject * p)"""
12067 return _IMP_core.SingletonConstraint__set_from_binary(self, p)
12069 def __getstate__(self):
12070 p = self._get_as_binary()
12071 if len(self.__dict__) > 1:
12072 d = self.__dict__.copy()
12077 def __setstate__(self, p):
12078 if not hasattr(self,
'this'):
12080 if isinstance(p, tuple):
12082 self.__dict__.update(d)
12083 return self._set_from_binary(p)
12086 def _get_jax(self):
12087 import jax.numpy
as jnp
12088 indexes = jnp.array([self.get_index()])
12089 mod = self.get_before_modifier().get_derived_object()
12090 ji = mod._get_jax(self.get_model(), indexes)
12091 return self._wrap_jax(ji.apply_func, keys=ji._keys)
12095 _IMP_core.SingletonConstraint_swigregister(SingletonConstraint)
12097 r"""Proxy of C++ IMP::core::PairConstraint class."""
12099 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12101 def __init__(self, *args):
12103 __init__(PairConstraint self, PairModifier before, PairModifier after, Model m, IMP::ParticleIndexPair const & vt, std::string name="PairConstraint %1%", bool can_skip=False) -> PairConstraint
12104 __init__(PairConstraint self) -> PairConstraint
12106 _IMP_core.PairConstraint_swiginit(self, _IMP_core.new_PairConstraint(*args))
12108 def get_before_modifier(self):
12109 r"""get_before_modifier(PairConstraint self) -> PairModifier"""
12110 return _IMP_core.PairConstraint_get_before_modifier(self)
12113 r"""get_index(PairConstraint self) -> IMP::PairModifier::IndexArgument"""
12114 return _IMP_core.PairConstraint_get_index(self)
12116 def get_version_info(self):
12117 r"""get_version_info(PairConstraint self) -> VersionInfo"""
12118 return _IMP_core.PairConstraint_get_version_info(self)
12119 __swig_destroy__ = _IMP_core.delete_PairConstraint
12122 r"""__str__(PairConstraint self) -> std::string"""
12123 return _IMP_core.PairConstraint___str__(self)
12125 def __repr__(self):
12126 r"""__repr__(PairConstraint self) -> std::string"""
12127 return _IMP_core.PairConstraint___repr__(self)
12131 return _object_cast_to_PairConstraint(o)
12134 def _get_as_binary(self):
12135 r"""_get_as_binary(PairConstraint self) -> PyObject *"""
12136 return _IMP_core.PairConstraint__get_as_binary(self)
12138 def _set_from_binary(self, p):
12139 r"""_set_from_binary(PairConstraint self, PyObject * p)"""
12140 return _IMP_core.PairConstraint__set_from_binary(self, p)
12142 def __getstate__(self):
12143 p = self._get_as_binary()
12144 if len(self.__dict__) > 1:
12145 d = self.__dict__.copy()
12150 def __setstate__(self, p):
12151 if not hasattr(self,
'this'):
12153 if isinstance(p, tuple):
12155 self.__dict__.update(d)
12156 return self._set_from_binary(p)
12160 _IMP_core.PairConstraint_swigregister(PairConstraint)
12162 r"""Proxy of C++ IMP::core::TripletConstraint class."""
12164 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12166 def __init__(self, *args):
12168 __init__(TripletConstraint self, TripletModifier before, TripletModifier after, Model m, IMP::ParticleIndexTriplet const & vt, std::string name="TripletConstraint %1%", bool can_skip=False) -> TripletConstraint
12169 __init__(TripletConstraint self) -> TripletConstraint
12171 _IMP_core.TripletConstraint_swiginit(self, _IMP_core.new_TripletConstraint(*args))
12173 def get_before_modifier(self):
12174 r"""get_before_modifier(TripletConstraint self) -> TripletModifier"""
12175 return _IMP_core.TripletConstraint_get_before_modifier(self)
12178 r"""get_index(TripletConstraint self) -> IMP::TripletModifier::IndexArgument"""
12179 return _IMP_core.TripletConstraint_get_index(self)
12181 def get_version_info(self):
12182 r"""get_version_info(TripletConstraint self) -> VersionInfo"""
12183 return _IMP_core.TripletConstraint_get_version_info(self)
12184 __swig_destroy__ = _IMP_core.delete_TripletConstraint
12187 r"""__str__(TripletConstraint self) -> std::string"""
12188 return _IMP_core.TripletConstraint___str__(self)
12190 def __repr__(self):
12191 r"""__repr__(TripletConstraint self) -> std::string"""
12192 return _IMP_core.TripletConstraint___repr__(self)
12196 return _object_cast_to_TripletConstraint(o)
12199 def _get_as_binary(self):
12200 r"""_get_as_binary(TripletConstraint self) -> PyObject *"""
12201 return _IMP_core.TripletConstraint__get_as_binary(self)
12203 def _set_from_binary(self, p):
12204 r"""_set_from_binary(TripletConstraint self, PyObject * p)"""
12205 return _IMP_core.TripletConstraint__set_from_binary(self, p)
12207 def __getstate__(self):
12208 p = self._get_as_binary()
12209 if len(self.__dict__) > 1:
12210 d = self.__dict__.copy()
12215 def __setstate__(self, p):
12216 if not hasattr(self,
'this'):
12218 if isinstance(p, tuple):
12220 self.__dict__.update(d)
12221 return self._set_from_binary(p)
12225 _IMP_core.TripletConstraint_swigregister(TripletConstraint)
12227 r"""Proxy of C++ IMP::core::QuadConstraint class."""
12229 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12231 def __init__(self, *args):
12233 __init__(QuadConstraint self, QuadModifier before, QuadModifier after, Model m, IMP::ParticleIndexQuad const & vt, std::string name="QuadConstraint %1%", bool can_skip=False) -> QuadConstraint
12234 __init__(QuadConstraint self) -> QuadConstraint
12236 _IMP_core.QuadConstraint_swiginit(self, _IMP_core.new_QuadConstraint(*args))
12238 def get_before_modifier(self):
12239 r"""get_before_modifier(QuadConstraint self) -> QuadModifier"""
12240 return _IMP_core.QuadConstraint_get_before_modifier(self)
12243 r"""get_index(QuadConstraint self) -> IMP::QuadModifier::IndexArgument"""
12244 return _IMP_core.QuadConstraint_get_index(self)
12246 def get_version_info(self):
12247 r"""get_version_info(QuadConstraint self) -> VersionInfo"""
12248 return _IMP_core.QuadConstraint_get_version_info(self)
12249 __swig_destroy__ = _IMP_core.delete_QuadConstraint
12252 r"""__str__(QuadConstraint self) -> std::string"""
12253 return _IMP_core.QuadConstraint___str__(self)
12255 def __repr__(self):
12256 r"""__repr__(QuadConstraint self) -> std::string"""
12257 return _IMP_core.QuadConstraint___repr__(self)
12261 return _object_cast_to_QuadConstraint(o)
12264 def _get_as_binary(self):
12265 r"""_get_as_binary(QuadConstraint self) -> PyObject *"""
12266 return _IMP_core.QuadConstraint__get_as_binary(self)
12268 def _set_from_binary(self, p):
12269 r"""_set_from_binary(QuadConstraint self, PyObject * p)"""
12270 return _IMP_core.QuadConstraint__set_from_binary(self, p)
12272 def __getstate__(self):
12273 p = self._get_as_binary()
12274 if len(self.__dict__) > 1:
12275 d = self.__dict__.copy()
12280 def __setstate__(self, p):
12281 if not hasattr(self,
'this'):
12283 if isinstance(p, tuple):
12285 self.__dict__.update(d)
12286 return self._set_from_binary(p)
12290 _IMP_core.QuadConstraint_swigregister(QuadConstraint)
12292 r"""Proxy of C++ IMP::core::ConstantSingletonPredicate class."""
12294 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12296 def __init__(self, *args):
12298 __init__(ConstantSingletonPredicate self, int v, std::string name="ConstSingletonPredicate%1%") -> ConstantSingletonPredicate
12299 __init__(ConstantSingletonPredicate self) -> ConstantSingletonPredicate
12301 _IMP_core.ConstantSingletonPredicate_swiginit(self, _IMP_core.new_ConstantSingletonPredicate(*args))
12303 def do_get_inputs(self, arg2, arg3):
12304 r"""do_get_inputs(ConstantSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12305 return _IMP_core.ConstantSingletonPredicate_do_get_inputs(self, arg2, arg3)
12307 def get_value(self, *args):
12309 get_value(ConstantSingletonPredicate self, Particle a) -> int
12310 get_value(ConstantSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12312 return _IMP_core.ConstantSingletonPredicate_get_value(self, *args)
12314 def get_value_index(self, *args):
12316 get_value_index(ConstantSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
12317 get_value_index(ConstantSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12319 return _IMP_core.ConstantSingletonPredicate_get_value_index(self, *args)
12321 def get_version_info(self):
12322 r"""get_version_info(ConstantSingletonPredicate self) -> VersionInfo"""
12323 return _IMP_core.ConstantSingletonPredicate_get_version_info(self)
12324 __swig_destroy__ = _IMP_core.delete_ConstantSingletonPredicate
12327 r"""__str__(ConstantSingletonPredicate self) -> std::string"""
12328 return _IMP_core.ConstantSingletonPredicate___str__(self)
12330 def __repr__(self):
12331 r"""__repr__(ConstantSingletonPredicate self) -> std::string"""
12332 return _IMP_core.ConstantSingletonPredicate___repr__(self)
12336 return _object_cast_to_ConstantSingletonPredicate(o)
12339 def _get_as_binary(self):
12340 r"""_get_as_binary(ConstantSingletonPredicate self) -> PyObject *"""
12341 return _IMP_core.ConstantSingletonPredicate__get_as_binary(self)
12343 def _set_from_binary(self, p):
12344 r"""_set_from_binary(ConstantSingletonPredicate self, PyObject * p)"""
12345 return _IMP_core.ConstantSingletonPredicate__set_from_binary(self, p)
12347 def __getstate__(self):
12348 p = self._get_as_binary()
12349 if len(self.__dict__) > 1:
12350 d = self.__dict__.copy()
12355 def __setstate__(self, p):
12356 if not hasattr(self,
'this'):
12358 if isinstance(p, tuple):
12360 self.__dict__.update(d)
12361 return self._set_from_binary(p)
12365 _IMP_core.ConstantSingletonPredicate_swigregister(ConstantSingletonPredicate)
12367 r"""Proxy of C++ IMP::core::UnorderedTypeSingletonPredicate class."""
12369 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12371 def __init__(self, *args):
12372 r"""__init__(UnorderedTypeSingletonPredicate self, std::string name="UnorderedTypeSingletonPredicate%1%") -> UnorderedTypeSingletonPredicate"""
12373 _IMP_core.UnorderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_UnorderedTypeSingletonPredicate(*args))
12375 def do_get_inputs(self, m, pis):
12376 r"""do_get_inputs(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12377 return _IMP_core.UnorderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
12379 def get_value(self, *args):
12381 get_value(UnorderedTypeSingletonPredicate self, Particle a) -> int
12382 get_value(UnorderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12384 return _IMP_core.UnorderedTypeSingletonPredicate_get_value(self, *args)
12386 def get_value_index(self, *args):
12388 get_value_index(UnorderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
12389 get_value_index(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12391 return _IMP_core.UnorderedTypeSingletonPredicate_get_value_index(self, *args)
12393 def get_version_info(self):
12394 r"""get_version_info(UnorderedTypeSingletonPredicate self) -> VersionInfo"""
12395 return _IMP_core.UnorderedTypeSingletonPredicate_get_version_info(self)
12396 __swig_destroy__ = _IMP_core.delete_UnorderedTypeSingletonPredicate
12399 r"""__str__(UnorderedTypeSingletonPredicate self) -> std::string"""
12400 return _IMP_core.UnorderedTypeSingletonPredicate___str__(self)
12402 def __repr__(self):
12403 r"""__repr__(UnorderedTypeSingletonPredicate self) -> std::string"""
12404 return _IMP_core.UnorderedTypeSingletonPredicate___repr__(self)
12408 return _object_cast_to_UnorderedTypeSingletonPredicate(o)
12411 def _get_as_binary(self):
12412 r"""_get_as_binary(UnorderedTypeSingletonPredicate self) -> PyObject *"""
12413 return _IMP_core.UnorderedTypeSingletonPredicate__get_as_binary(self)
12415 def _set_from_binary(self, p):
12416 r"""_set_from_binary(UnorderedTypeSingletonPredicate self, PyObject * p)"""
12417 return _IMP_core.UnorderedTypeSingletonPredicate__set_from_binary(self, p)
12419 def __getstate__(self):
12420 p = self._get_as_binary()
12421 if len(self.__dict__) > 1:
12422 d = self.__dict__.copy()
12427 def __setstate__(self, p):
12428 if not hasattr(self,
'this'):
12430 if isinstance(p, tuple):
12432 self.__dict__.update(d)
12433 return self._set_from_binary(p)
12437 _IMP_core.UnorderedTypeSingletonPredicate_swigregister(UnorderedTypeSingletonPredicate)
12439 r"""Proxy of C++ IMP::core::OrderedTypeSingletonPredicate class."""
12441 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12443 def __init__(self, *args):
12444 r"""__init__(OrderedTypeSingletonPredicate self, std::string name="OrderedTypeSingletonPredicate%1%") -> OrderedTypeSingletonPredicate"""
12445 _IMP_core.OrderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_OrderedTypeSingletonPredicate(*args))
12447 def do_get_inputs(self, m, pis):
12448 r"""do_get_inputs(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12449 return _IMP_core.OrderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
12451 def get_value(self, *args):
12453 get_value(OrderedTypeSingletonPredicate self, IMP::core::ParticleTypes const & types) -> int
12454 get_value(OrderedTypeSingletonPredicate self, Particle a) -> int
12455 get_value(OrderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12457 return _IMP_core.OrderedTypeSingletonPredicate_get_value(self, *args)
12459 def get_value_index(self, *args):
12461 get_value_index(OrderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
12462 get_value_index(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12464 return _IMP_core.OrderedTypeSingletonPredicate_get_value_index(self, *args)
12466 def get_version_info(self):
12467 r"""get_version_info(OrderedTypeSingletonPredicate self) -> VersionInfo"""
12468 return _IMP_core.OrderedTypeSingletonPredicate_get_version_info(self)
12469 __swig_destroy__ = _IMP_core.delete_OrderedTypeSingletonPredicate
12472 r"""__str__(OrderedTypeSingletonPredicate self) -> std::string"""
12473 return _IMP_core.OrderedTypeSingletonPredicate___str__(self)
12475 def __repr__(self):
12476 r"""__repr__(OrderedTypeSingletonPredicate self) -> std::string"""
12477 return _IMP_core.OrderedTypeSingletonPredicate___repr__(self)
12481 return _object_cast_to_OrderedTypeSingletonPredicate(o)
12485 _IMP_core.OrderedTypeSingletonPredicate_swigregister(OrderedTypeSingletonPredicate)
12487 r"""Proxy of C++ IMP::core::AllSameSingletonPredicate class."""
12489 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12491 def __init__(self, *args):
12492 r"""__init__(AllSameSingletonPredicate self, std::string name="AllSameSingletonPredicate%1%") -> AllSameSingletonPredicate"""
12493 _IMP_core.AllSameSingletonPredicate_swiginit(self, _IMP_core.new_AllSameSingletonPredicate(*args))
12495 def do_get_inputs(self, arg2, arg3):
12496 r"""do_get_inputs(AllSameSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12497 return _IMP_core.AllSameSingletonPredicate_do_get_inputs(self, arg2, arg3)
12499 def get_value(self, *args):
12501 get_value(AllSameSingletonPredicate self, Particle a) -> int
12502 get_value(AllSameSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12504 return _IMP_core.AllSameSingletonPredicate_get_value(self, *args)
12506 def get_value_index(self, *args):
12508 get_value_index(AllSameSingletonPredicate self, Model m, ParticleIndex pi) -> int
12509 get_value_index(AllSameSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12511 return _IMP_core.AllSameSingletonPredicate_get_value_index(self, *args)
12513 def get_version_info(self):
12514 r"""get_version_info(AllSameSingletonPredicate self) -> VersionInfo"""
12515 return _IMP_core.AllSameSingletonPredicate_get_version_info(self)
12516 __swig_destroy__ = _IMP_core.delete_AllSameSingletonPredicate
12519 r"""__str__(AllSameSingletonPredicate self) -> std::string"""
12520 return _IMP_core.AllSameSingletonPredicate___str__(self)
12522 def __repr__(self):
12523 r"""__repr__(AllSameSingletonPredicate self) -> std::string"""
12524 return _IMP_core.AllSameSingletonPredicate___repr__(self)
12528 return _object_cast_to_AllSameSingletonPredicate(o)
12531 def _get_as_binary(self):
12532 r"""_get_as_binary(AllSameSingletonPredicate self) -> PyObject *"""
12533 return _IMP_core.AllSameSingletonPredicate__get_as_binary(self)
12535 def _set_from_binary(self, p):
12536 r"""_set_from_binary(AllSameSingletonPredicate self, PyObject * p)"""
12537 return _IMP_core.AllSameSingletonPredicate__set_from_binary(self, p)
12539 def __getstate__(self):
12540 p = self._get_as_binary()
12541 if len(self.__dict__) > 1:
12542 d = self.__dict__.copy()
12547 def __setstate__(self, p):
12548 if not hasattr(self,
'this'):
12550 if isinstance(p, tuple):
12552 self.__dict__.update(d)
12553 return self._set_from_binary(p)
12557 _IMP_core.AllSameSingletonPredicate_swigregister(AllSameSingletonPredicate)
12559 r"""Proxy of C++ IMP::core::CoinFlipSingletonPredicate class."""
12561 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12563 def __init__(self, *args):
12564 r"""__init__(CoinFlipSingletonPredicate self, double p, std::string name="CoinFlipSingletonPredicate%1%") -> CoinFlipSingletonPredicate"""
12565 _IMP_core.CoinFlipSingletonPredicate_swiginit(self, _IMP_core.new_CoinFlipSingletonPredicate(*args))
12567 def do_get_inputs(self, arg2, arg3):
12568 r"""do_get_inputs(CoinFlipSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12569 return _IMP_core.CoinFlipSingletonPredicate_do_get_inputs(self, arg2, arg3)
12571 def get_value(self, *args):
12573 get_value(CoinFlipSingletonPredicate self, Particle a) -> int
12574 get_value(CoinFlipSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12576 return _IMP_core.CoinFlipSingletonPredicate_get_value(self, *args)
12578 def get_value_index(self, *args):
12580 get_value_index(CoinFlipSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
12581 get_value_index(CoinFlipSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12583 return _IMP_core.CoinFlipSingletonPredicate_get_value_index(self, *args)
12585 def get_version_info(self):
12586 r"""get_version_info(CoinFlipSingletonPredicate self) -> VersionInfo"""
12587 return _IMP_core.CoinFlipSingletonPredicate_get_version_info(self)
12588 __swig_destroy__ = _IMP_core.delete_CoinFlipSingletonPredicate
12591 r"""__str__(CoinFlipSingletonPredicate self) -> std::string"""
12592 return _IMP_core.CoinFlipSingletonPredicate___str__(self)
12594 def __repr__(self):
12595 r"""__repr__(CoinFlipSingletonPredicate self) -> std::string"""
12596 return _IMP_core.CoinFlipSingletonPredicate___repr__(self)
12600 return _object_cast_to_CoinFlipSingletonPredicate(o)
12604 _IMP_core.CoinFlipSingletonPredicate_swigregister(CoinFlipSingletonPredicate)
12606 r"""Proxy of C++ IMP::core::ConstantPairPredicate class."""
12608 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12610 def __init__(self, *args):
12612 __init__(ConstantPairPredicate self, int v, std::string name="ConstPairPredicate%1%") -> ConstantPairPredicate
12613 __init__(ConstantPairPredicate self) -> ConstantPairPredicate
12615 _IMP_core.ConstantPairPredicate_swiginit(self, _IMP_core.new_ConstantPairPredicate(*args))
12617 def do_get_inputs(self, arg2, arg3):
12618 r"""do_get_inputs(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12619 return _IMP_core.ConstantPairPredicate_do_get_inputs(self, arg2, arg3)
12621 def get_value(self, *args):
12623 get_value(ConstantPairPredicate self, IMP::ParticlePair const & a) -> int
12624 get_value(ConstantPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12626 return _IMP_core.ConstantPairPredicate_get_value(self, *args)
12628 def get_value_index(self, *args):
12630 get_value_index(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
12631 get_value_index(ConstantPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12633 return _IMP_core.ConstantPairPredicate_get_value_index(self, *args)
12635 def get_version_info(self):
12636 r"""get_version_info(ConstantPairPredicate self) -> VersionInfo"""
12637 return _IMP_core.ConstantPairPredicate_get_version_info(self)
12638 __swig_destroy__ = _IMP_core.delete_ConstantPairPredicate
12641 r"""__str__(ConstantPairPredicate self) -> std::string"""
12642 return _IMP_core.ConstantPairPredicate___str__(self)
12644 def __repr__(self):
12645 r"""__repr__(ConstantPairPredicate self) -> std::string"""
12646 return _IMP_core.ConstantPairPredicate___repr__(self)
12650 return _object_cast_to_ConstantPairPredicate(o)
12653 def _get_as_binary(self):
12654 r"""_get_as_binary(ConstantPairPredicate self) -> PyObject *"""
12655 return _IMP_core.ConstantPairPredicate__get_as_binary(self)
12657 def _set_from_binary(self, p):
12658 r"""_set_from_binary(ConstantPairPredicate self, PyObject * p)"""
12659 return _IMP_core.ConstantPairPredicate__set_from_binary(self, p)
12661 def __getstate__(self):
12662 p = self._get_as_binary()
12663 if len(self.__dict__) > 1:
12664 d = self.__dict__.copy()
12669 def __setstate__(self, p):
12670 if not hasattr(self,
'this'):
12672 if isinstance(p, tuple):
12674 self.__dict__.update(d)
12675 return self._set_from_binary(p)
12679 _IMP_core.ConstantPairPredicate_swigregister(ConstantPairPredicate)
12681 r"""Proxy of C++ IMP::core::UnorderedTypePairPredicate class."""
12683 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12685 def __init__(self, *args):
12686 r"""__init__(UnorderedTypePairPredicate self, std::string name="UnorderedTypePairPredicate%1%") -> UnorderedTypePairPredicate"""
12687 _IMP_core.UnorderedTypePairPredicate_swiginit(self, _IMP_core.new_UnorderedTypePairPredicate(*args))
12689 def do_get_inputs(self, m, pis):
12690 r"""do_get_inputs(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12691 return _IMP_core.UnorderedTypePairPredicate_do_get_inputs(self, m, pis)
12693 def get_value(self, *args):
12695 get_value(UnorderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12696 get_value(UnorderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12698 return _IMP_core.UnorderedTypePairPredicate_get_value(self, *args)
12700 def get_value_index(self, *args):
12702 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12703 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12705 return _IMP_core.UnorderedTypePairPredicate_get_value_index(self, *args)
12707 def get_version_info(self):
12708 r"""get_version_info(UnorderedTypePairPredicate self) -> VersionInfo"""
12709 return _IMP_core.UnorderedTypePairPredicate_get_version_info(self)
12710 __swig_destroy__ = _IMP_core.delete_UnorderedTypePairPredicate
12713 r"""__str__(UnorderedTypePairPredicate self) -> std::string"""
12714 return _IMP_core.UnorderedTypePairPredicate___str__(self)
12716 def __repr__(self):
12717 r"""__repr__(UnorderedTypePairPredicate self) -> std::string"""
12718 return _IMP_core.UnorderedTypePairPredicate___repr__(self)
12722 return _object_cast_to_UnorderedTypePairPredicate(o)
12725 def _get_as_binary(self):
12726 r"""_get_as_binary(UnorderedTypePairPredicate self) -> PyObject *"""
12727 return _IMP_core.UnorderedTypePairPredicate__get_as_binary(self)
12729 def _set_from_binary(self, p):
12730 r"""_set_from_binary(UnorderedTypePairPredicate self, PyObject * p)"""
12731 return _IMP_core.UnorderedTypePairPredicate__set_from_binary(self, p)
12733 def __getstate__(self):
12734 p = self._get_as_binary()
12735 if len(self.__dict__) > 1:
12736 d = self.__dict__.copy()
12741 def __setstate__(self, p):
12742 if not hasattr(self,
'this'):
12744 if isinstance(p, tuple):
12746 self.__dict__.update(d)
12747 return self._set_from_binary(p)
12751 _IMP_core.UnorderedTypePairPredicate_swigregister(UnorderedTypePairPredicate)
12753 r"""Proxy of C++ IMP::core::OrderedTypePairPredicate class."""
12755 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12757 def __init__(self, *args):
12758 r"""__init__(OrderedTypePairPredicate self, std::string name="OrderedTypePairPredicate%1%") -> OrderedTypePairPredicate"""
12759 _IMP_core.OrderedTypePairPredicate_swiginit(self, _IMP_core.new_OrderedTypePairPredicate(*args))
12761 def do_get_inputs(self, m, pis):
12762 r"""do_get_inputs(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12763 return _IMP_core.OrderedTypePairPredicate_do_get_inputs(self, m, pis)
12765 def get_value(self, *args):
12767 get_value(OrderedTypePairPredicate self, IMP::core::ParticleTypes const & types) -> int
12768 get_value(OrderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12769 get_value(OrderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12771 return _IMP_core.OrderedTypePairPredicate_get_value(self, *args)
12773 def get_value_index(self, *args):
12775 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12776 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12778 return _IMP_core.OrderedTypePairPredicate_get_value_index(self, *args)
12780 def get_version_info(self):
12781 r"""get_version_info(OrderedTypePairPredicate self) -> VersionInfo"""
12782 return _IMP_core.OrderedTypePairPredicate_get_version_info(self)
12783 __swig_destroy__ = _IMP_core.delete_OrderedTypePairPredicate
12786 r"""__str__(OrderedTypePairPredicate self) -> std::string"""
12787 return _IMP_core.OrderedTypePairPredicate___str__(self)
12789 def __repr__(self):
12790 r"""__repr__(OrderedTypePairPredicate self) -> std::string"""
12791 return _IMP_core.OrderedTypePairPredicate___repr__(self)
12795 return _object_cast_to_OrderedTypePairPredicate(o)
12799 _IMP_core.OrderedTypePairPredicate_swigregister(OrderedTypePairPredicate)
12801 r"""Proxy of C++ IMP::core::AllSamePairPredicate class."""
12803 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12805 def __init__(self, *args):
12806 r"""__init__(AllSamePairPredicate self, std::string name="AllSamePairPredicate%1%") -> AllSamePairPredicate"""
12807 _IMP_core.AllSamePairPredicate_swiginit(self, _IMP_core.new_AllSamePairPredicate(*args))
12809 def do_get_inputs(self, arg2, arg3):
12810 r"""do_get_inputs(AllSamePairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12811 return _IMP_core.AllSamePairPredicate_do_get_inputs(self, arg2, arg3)
12813 def get_value(self, *args):
12815 get_value(AllSamePairPredicate self, IMP::ParticlePair const & a) -> int
12816 get_value(AllSamePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12818 return _IMP_core.AllSamePairPredicate_get_value(self, *args)
12820 def get_value_index(self, *args):
12822 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12823 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12825 return _IMP_core.AllSamePairPredicate_get_value_index(self, *args)
12827 def get_version_info(self):
12828 r"""get_version_info(AllSamePairPredicate self) -> VersionInfo"""
12829 return _IMP_core.AllSamePairPredicate_get_version_info(self)
12830 __swig_destroy__ = _IMP_core.delete_AllSamePairPredicate
12833 r"""__str__(AllSamePairPredicate self) -> std::string"""
12834 return _IMP_core.AllSamePairPredicate___str__(self)
12836 def __repr__(self):
12837 r"""__repr__(AllSamePairPredicate self) -> std::string"""
12838 return _IMP_core.AllSamePairPredicate___repr__(self)
12842 return _object_cast_to_AllSamePairPredicate(o)
12845 def _get_as_binary(self):
12846 r"""_get_as_binary(AllSamePairPredicate self) -> PyObject *"""
12847 return _IMP_core.AllSamePairPredicate__get_as_binary(self)
12849 def _set_from_binary(self, p):
12850 r"""_set_from_binary(AllSamePairPredicate self, PyObject * p)"""
12851 return _IMP_core.AllSamePairPredicate__set_from_binary(self, p)
12853 def __getstate__(self):
12854 p = self._get_as_binary()
12855 if len(self.__dict__) > 1:
12856 d = self.__dict__.copy()
12861 def __setstate__(self, p):
12862 if not hasattr(self,
'this'):
12864 if isinstance(p, tuple):
12866 self.__dict__.update(d)
12867 return self._set_from_binary(p)
12871 _IMP_core.AllSamePairPredicate_swigregister(AllSamePairPredicate)
12873 r"""Proxy of C++ IMP::core::CoinFlipPairPredicate class."""
12875 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12877 def __init__(self, *args):
12878 r"""__init__(CoinFlipPairPredicate self, double p, std::string name="CoinFlipPairPredicate%1%") -> CoinFlipPairPredicate"""
12879 _IMP_core.CoinFlipPairPredicate_swiginit(self, _IMP_core.new_CoinFlipPairPredicate(*args))
12881 def do_get_inputs(self, arg2, arg3):
12882 r"""do_get_inputs(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12883 return _IMP_core.CoinFlipPairPredicate_do_get_inputs(self, arg2, arg3)
12885 def get_value(self, *args):
12887 get_value(CoinFlipPairPredicate self, IMP::ParticlePair const & a) -> int
12888 get_value(CoinFlipPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12890 return _IMP_core.CoinFlipPairPredicate_get_value(self, *args)
12892 def get_value_index(self, *args):
12894 get_value_index(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
12895 get_value_index(CoinFlipPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12897 return _IMP_core.CoinFlipPairPredicate_get_value_index(self, *args)
12899 def get_version_info(self):
12900 r"""get_version_info(CoinFlipPairPredicate self) -> VersionInfo"""
12901 return _IMP_core.CoinFlipPairPredicate_get_version_info(self)
12902 __swig_destroy__ = _IMP_core.delete_CoinFlipPairPredicate
12905 r"""__str__(CoinFlipPairPredicate self) -> std::string"""
12906 return _IMP_core.CoinFlipPairPredicate___str__(self)
12908 def __repr__(self):
12909 r"""__repr__(CoinFlipPairPredicate self) -> std::string"""
12910 return _IMP_core.CoinFlipPairPredicate___repr__(self)
12914 return _object_cast_to_CoinFlipPairPredicate(o)
12918 _IMP_core.CoinFlipPairPredicate_swigregister(CoinFlipPairPredicate)
12920 r"""Proxy of C++ IMP::core::ConstantTripletPredicate class."""
12922 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12924 def __init__(self, *args):
12926 __init__(ConstantTripletPredicate self, int v, std::string name="ConstTripletPredicate%1%") -> ConstantTripletPredicate
12927 __init__(ConstantTripletPredicate self) -> ConstantTripletPredicate
12929 _IMP_core.ConstantTripletPredicate_swiginit(self, _IMP_core.new_ConstantTripletPredicate(*args))
12931 def do_get_inputs(self, arg2, arg3):
12932 r"""do_get_inputs(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12933 return _IMP_core.ConstantTripletPredicate_do_get_inputs(self, arg2, arg3)
12935 def get_value(self, *args):
12937 get_value(ConstantTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12938 get_value(ConstantTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12940 return _IMP_core.ConstantTripletPredicate_get_value(self, *args)
12942 def get_value_index(self, *args):
12944 get_value_index(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
12945 get_value_index(ConstantTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12947 return _IMP_core.ConstantTripletPredicate_get_value_index(self, *args)
12949 def get_version_info(self):
12950 r"""get_version_info(ConstantTripletPredicate self) -> VersionInfo"""
12951 return _IMP_core.ConstantTripletPredicate_get_version_info(self)
12952 __swig_destroy__ = _IMP_core.delete_ConstantTripletPredicate
12955 r"""__str__(ConstantTripletPredicate self) -> std::string"""
12956 return _IMP_core.ConstantTripletPredicate___str__(self)
12958 def __repr__(self):
12959 r"""__repr__(ConstantTripletPredicate self) -> std::string"""
12960 return _IMP_core.ConstantTripletPredicate___repr__(self)
12964 return _object_cast_to_ConstantTripletPredicate(o)
12967 def _get_as_binary(self):
12968 r"""_get_as_binary(ConstantTripletPredicate self) -> PyObject *"""
12969 return _IMP_core.ConstantTripletPredicate__get_as_binary(self)
12971 def _set_from_binary(self, p):
12972 r"""_set_from_binary(ConstantTripletPredicate self, PyObject * p)"""
12973 return _IMP_core.ConstantTripletPredicate__set_from_binary(self, p)
12975 def __getstate__(self):
12976 p = self._get_as_binary()
12977 if len(self.__dict__) > 1:
12978 d = self.__dict__.copy()
12983 def __setstate__(self, p):
12984 if not hasattr(self,
'this'):
12986 if isinstance(p, tuple):
12988 self.__dict__.update(d)
12989 return self._set_from_binary(p)
12993 _IMP_core.ConstantTripletPredicate_swigregister(ConstantTripletPredicate)
12995 r"""Proxy of C++ IMP::core::UnorderedTypeTripletPredicate class."""
12997 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12999 def __init__(self, *args):
13000 r"""__init__(UnorderedTypeTripletPredicate self, std::string name="UnorderedTypeTripletPredicate%1%") -> UnorderedTypeTripletPredicate"""
13001 _IMP_core.UnorderedTypeTripletPredicate_swiginit(self, _IMP_core.new_UnorderedTypeTripletPredicate(*args))
13003 def do_get_inputs(self, m, pis):
13004 r"""do_get_inputs(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13005 return _IMP_core.UnorderedTypeTripletPredicate_do_get_inputs(self, m, pis)
13007 def get_value(self, *args):
13009 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
13010 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
13012 return _IMP_core.UnorderedTypeTripletPredicate_get_value(self, *args)
13014 def get_value_index(self, *args):
13016 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
13017 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
13019 return _IMP_core.UnorderedTypeTripletPredicate_get_value_index(self, *args)
13021 def get_version_info(self):
13022 r"""get_version_info(UnorderedTypeTripletPredicate self) -> VersionInfo"""
13023 return _IMP_core.UnorderedTypeTripletPredicate_get_version_info(self)
13024 __swig_destroy__ = _IMP_core.delete_UnorderedTypeTripletPredicate
13027 r"""__str__(UnorderedTypeTripletPredicate self) -> std::string"""
13028 return _IMP_core.UnorderedTypeTripletPredicate___str__(self)
13030 def __repr__(self):
13031 r"""__repr__(UnorderedTypeTripletPredicate self) -> std::string"""
13032 return _IMP_core.UnorderedTypeTripletPredicate___repr__(self)
13036 return _object_cast_to_UnorderedTypeTripletPredicate(o)
13039 def _get_as_binary(self):
13040 r"""_get_as_binary(UnorderedTypeTripletPredicate self) -> PyObject *"""
13041 return _IMP_core.UnorderedTypeTripletPredicate__get_as_binary(self)
13043 def _set_from_binary(self, p):
13044 r"""_set_from_binary(UnorderedTypeTripletPredicate self, PyObject * p)"""
13045 return _IMP_core.UnorderedTypeTripletPredicate__set_from_binary(self, p)
13047 def __getstate__(self):
13048 p = self._get_as_binary()
13049 if len(self.__dict__) > 1:
13050 d = self.__dict__.copy()
13055 def __setstate__(self, p):
13056 if not hasattr(self,
'this'):
13058 if isinstance(p, tuple):
13060 self.__dict__.update(d)
13061 return self._set_from_binary(p)
13065 _IMP_core.UnorderedTypeTripletPredicate_swigregister(UnorderedTypeTripletPredicate)
13067 r"""Proxy of C++ IMP::core::OrderedTypeTripletPredicate class."""
13069 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13071 def __init__(self, *args):
13072 r"""__init__(OrderedTypeTripletPredicate self, std::string name="OrderedTypeTripletPredicate%1%") -> OrderedTypeTripletPredicate"""
13073 _IMP_core.OrderedTypeTripletPredicate_swiginit(self, _IMP_core.new_OrderedTypeTripletPredicate(*args))
13075 def do_get_inputs(self, m, pis):
13076 r"""do_get_inputs(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13077 return _IMP_core.OrderedTypeTripletPredicate_do_get_inputs(self, m, pis)
13079 def get_value(self, *args):
13081 get_value(OrderedTypeTripletPredicate self, IMP::core::ParticleTypes const & types) -> int
13082 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
13083 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
13085 return _IMP_core.OrderedTypeTripletPredicate_get_value(self, *args)
13087 def get_value_index(self, *args):
13089 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
13090 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
13092 return _IMP_core.OrderedTypeTripletPredicate_get_value_index(self, *args)
13094 def get_version_info(self):
13095 r"""get_version_info(OrderedTypeTripletPredicate self) -> VersionInfo"""
13096 return _IMP_core.OrderedTypeTripletPredicate_get_version_info(self)
13097 __swig_destroy__ = _IMP_core.delete_OrderedTypeTripletPredicate
13100 r"""__str__(OrderedTypeTripletPredicate self) -> std::string"""
13101 return _IMP_core.OrderedTypeTripletPredicate___str__(self)
13103 def __repr__(self):
13104 r"""__repr__(OrderedTypeTripletPredicate self) -> std::string"""
13105 return _IMP_core.OrderedTypeTripletPredicate___repr__(self)
13109 return _object_cast_to_OrderedTypeTripletPredicate(o)
13113 _IMP_core.OrderedTypeTripletPredicate_swigregister(OrderedTypeTripletPredicate)
13115 r"""Proxy of C++ IMP::core::AllSameTripletPredicate class."""
13117 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13119 def __init__(self, *args):
13120 r"""__init__(AllSameTripletPredicate self, std::string name="AllSameTripletPredicate%1%") -> AllSameTripletPredicate"""
13121 _IMP_core.AllSameTripletPredicate_swiginit(self, _IMP_core.new_AllSameTripletPredicate(*args))
13123 def do_get_inputs(self, arg2, arg3):
13124 r"""do_get_inputs(AllSameTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13125 return _IMP_core.AllSameTripletPredicate_do_get_inputs(self, arg2, arg3)
13127 def get_value(self, *args):
13129 get_value(AllSameTripletPredicate self, IMP::ParticleTriplet const & a) -> int
13130 get_value(AllSameTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
13132 return _IMP_core.AllSameTripletPredicate_get_value(self, *args)
13134 def get_value_index(self, *args):
13136 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
13137 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
13139 return _IMP_core.AllSameTripletPredicate_get_value_index(self, *args)
13141 def get_version_info(self):
13142 r"""get_version_info(AllSameTripletPredicate self) -> VersionInfo"""
13143 return _IMP_core.AllSameTripletPredicate_get_version_info(self)
13144 __swig_destroy__ = _IMP_core.delete_AllSameTripletPredicate
13147 r"""__str__(AllSameTripletPredicate self) -> std::string"""
13148 return _IMP_core.AllSameTripletPredicate___str__(self)
13150 def __repr__(self):
13151 r"""__repr__(AllSameTripletPredicate self) -> std::string"""
13152 return _IMP_core.AllSameTripletPredicate___repr__(self)
13156 return _object_cast_to_AllSameTripletPredicate(o)
13159 def _get_as_binary(self):
13160 r"""_get_as_binary(AllSameTripletPredicate self) -> PyObject *"""
13161 return _IMP_core.AllSameTripletPredicate__get_as_binary(self)
13163 def _set_from_binary(self, p):
13164 r"""_set_from_binary(AllSameTripletPredicate self, PyObject * p)"""
13165 return _IMP_core.AllSameTripletPredicate__set_from_binary(self, p)
13167 def __getstate__(self):
13168 p = self._get_as_binary()
13169 if len(self.__dict__) > 1:
13170 d = self.__dict__.copy()
13175 def __setstate__(self, p):
13176 if not hasattr(self,
'this'):
13178 if isinstance(p, tuple):
13180 self.__dict__.update(d)
13181 return self._set_from_binary(p)
13185 _IMP_core.AllSameTripletPredicate_swigregister(AllSameTripletPredicate)
13187 r"""Proxy of C++ IMP::core::CoinFlipTripletPredicate class."""
13189 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13191 def __init__(self, *args):
13192 r"""__init__(CoinFlipTripletPredicate self, double p, std::string name="CoinFlipTripletPredicate%1%") -> CoinFlipTripletPredicate"""
13193 _IMP_core.CoinFlipTripletPredicate_swiginit(self, _IMP_core.new_CoinFlipTripletPredicate(*args))
13195 def do_get_inputs(self, arg2, arg3):
13196 r"""do_get_inputs(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13197 return _IMP_core.CoinFlipTripletPredicate_do_get_inputs(self, arg2, arg3)
13199 def get_value(self, *args):
13201 get_value(CoinFlipTripletPredicate self, IMP::ParticleTriplet const & a) -> int
13202 get_value(CoinFlipTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
13204 return _IMP_core.CoinFlipTripletPredicate_get_value(self, *args)
13206 def get_value_index(self, *args):
13208 get_value_index(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
13209 get_value_index(CoinFlipTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
13211 return _IMP_core.CoinFlipTripletPredicate_get_value_index(self, *args)
13213 def get_version_info(self):
13214 r"""get_version_info(CoinFlipTripletPredicate self) -> VersionInfo"""
13215 return _IMP_core.CoinFlipTripletPredicate_get_version_info(self)
13216 __swig_destroy__ = _IMP_core.delete_CoinFlipTripletPredicate
13219 r"""__str__(CoinFlipTripletPredicate self) -> std::string"""
13220 return _IMP_core.CoinFlipTripletPredicate___str__(self)
13222 def __repr__(self):
13223 r"""__repr__(CoinFlipTripletPredicate self) -> std::string"""
13224 return _IMP_core.CoinFlipTripletPredicate___repr__(self)
13228 return _object_cast_to_CoinFlipTripletPredicate(o)
13232 _IMP_core.CoinFlipTripletPredicate_swigregister(CoinFlipTripletPredicate)
13234 r"""Proxy of C++ IMP::core::ConstantQuadPredicate class."""
13236 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13238 def __init__(self, *args):
13240 __init__(ConstantQuadPredicate self, int v, std::string name="ConstQuadPredicate%1%") -> ConstantQuadPredicate
13241 __init__(ConstantQuadPredicate self) -> ConstantQuadPredicate
13243 _IMP_core.ConstantQuadPredicate_swiginit(self, _IMP_core.new_ConstantQuadPredicate(*args))
13245 def do_get_inputs(self, arg2, arg3):
13246 r"""do_get_inputs(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13247 return _IMP_core.ConstantQuadPredicate_do_get_inputs(self, arg2, arg3)
13249 def get_value(self, *args):
13251 get_value(ConstantQuadPredicate self, IMP::ParticleQuad const & a) -> int
13252 get_value(ConstantQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13254 return _IMP_core.ConstantQuadPredicate_get_value(self, *args)
13256 def get_value_index(self, *args):
13258 get_value_index(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
13259 get_value_index(ConstantQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13261 return _IMP_core.ConstantQuadPredicate_get_value_index(self, *args)
13263 def get_version_info(self):
13264 r"""get_version_info(ConstantQuadPredicate self) -> VersionInfo"""
13265 return _IMP_core.ConstantQuadPredicate_get_version_info(self)
13266 __swig_destroy__ = _IMP_core.delete_ConstantQuadPredicate
13269 r"""__str__(ConstantQuadPredicate self) -> std::string"""
13270 return _IMP_core.ConstantQuadPredicate___str__(self)
13272 def __repr__(self):
13273 r"""__repr__(ConstantQuadPredicate self) -> std::string"""
13274 return _IMP_core.ConstantQuadPredicate___repr__(self)
13278 return _object_cast_to_ConstantQuadPredicate(o)
13281 def _get_as_binary(self):
13282 r"""_get_as_binary(ConstantQuadPredicate self) -> PyObject *"""
13283 return _IMP_core.ConstantQuadPredicate__get_as_binary(self)
13285 def _set_from_binary(self, p):
13286 r"""_set_from_binary(ConstantQuadPredicate self, PyObject * p)"""
13287 return _IMP_core.ConstantQuadPredicate__set_from_binary(self, p)
13289 def __getstate__(self):
13290 p = self._get_as_binary()
13291 if len(self.__dict__) > 1:
13292 d = self.__dict__.copy()
13297 def __setstate__(self, p):
13298 if not hasattr(self,
'this'):
13300 if isinstance(p, tuple):
13302 self.__dict__.update(d)
13303 return self._set_from_binary(p)
13307 _IMP_core.ConstantQuadPredicate_swigregister(ConstantQuadPredicate)
13309 r"""Proxy of C++ IMP::core::UnorderedTypeQuadPredicate class."""
13311 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13313 def __init__(self, *args):
13314 r"""__init__(UnorderedTypeQuadPredicate self, std::string name="UnorderedTypeQuadPredicate%1%") -> UnorderedTypeQuadPredicate"""
13315 _IMP_core.UnorderedTypeQuadPredicate_swiginit(self, _IMP_core.new_UnorderedTypeQuadPredicate(*args))
13317 def do_get_inputs(self, m, pis):
13318 r"""do_get_inputs(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13319 return _IMP_core.UnorderedTypeQuadPredicate_do_get_inputs(self, m, pis)
13321 def get_value(self, *args):
13323 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
13324 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13326 return _IMP_core.UnorderedTypeQuadPredicate_get_value(self, *args)
13328 def get_value_index(self, *args):
13330 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13331 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13333 return _IMP_core.UnorderedTypeQuadPredicate_get_value_index(self, *args)
13335 def get_version_info(self):
13336 r"""get_version_info(UnorderedTypeQuadPredicate self) -> VersionInfo"""
13337 return _IMP_core.UnorderedTypeQuadPredicate_get_version_info(self)
13338 __swig_destroy__ = _IMP_core.delete_UnorderedTypeQuadPredicate
13341 r"""__str__(UnorderedTypeQuadPredicate self) -> std::string"""
13342 return _IMP_core.UnorderedTypeQuadPredicate___str__(self)
13344 def __repr__(self):
13345 r"""__repr__(UnorderedTypeQuadPredicate self) -> std::string"""
13346 return _IMP_core.UnorderedTypeQuadPredicate___repr__(self)
13350 return _object_cast_to_UnorderedTypeQuadPredicate(o)
13353 def _get_as_binary(self):
13354 r"""_get_as_binary(UnorderedTypeQuadPredicate self) -> PyObject *"""
13355 return _IMP_core.UnorderedTypeQuadPredicate__get_as_binary(self)
13357 def _set_from_binary(self, p):
13358 r"""_set_from_binary(UnorderedTypeQuadPredicate self, PyObject * p)"""
13359 return _IMP_core.UnorderedTypeQuadPredicate__set_from_binary(self, p)
13361 def __getstate__(self):
13362 p = self._get_as_binary()
13363 if len(self.__dict__) > 1:
13364 d = self.__dict__.copy()
13369 def __setstate__(self, p):
13370 if not hasattr(self,
'this'):
13372 if isinstance(p, tuple):
13374 self.__dict__.update(d)
13375 return self._set_from_binary(p)
13379 _IMP_core.UnorderedTypeQuadPredicate_swigregister(UnorderedTypeQuadPredicate)
13381 r"""Proxy of C++ IMP::core::OrderedTypeQuadPredicate class."""
13383 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13385 def __init__(self, *args):
13386 r"""__init__(OrderedTypeQuadPredicate self, std::string name="OrderedTypeQuadPredicate%1%") -> OrderedTypeQuadPredicate"""
13387 _IMP_core.OrderedTypeQuadPredicate_swiginit(self, _IMP_core.new_OrderedTypeQuadPredicate(*args))
13389 def do_get_inputs(self, m, pis):
13390 r"""do_get_inputs(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13391 return _IMP_core.OrderedTypeQuadPredicate_do_get_inputs(self, m, pis)
13393 def get_value(self, *args):
13395 get_value(OrderedTypeQuadPredicate self, IMP::core::ParticleTypes const & types) -> int
13396 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
13397 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13399 return _IMP_core.OrderedTypeQuadPredicate_get_value(self, *args)
13401 def get_value_index(self, *args):
13403 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13404 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13406 return _IMP_core.OrderedTypeQuadPredicate_get_value_index(self, *args)
13408 def get_version_info(self):
13409 r"""get_version_info(OrderedTypeQuadPredicate self) -> VersionInfo"""
13410 return _IMP_core.OrderedTypeQuadPredicate_get_version_info(self)
13411 __swig_destroy__ = _IMP_core.delete_OrderedTypeQuadPredicate
13414 r"""__str__(OrderedTypeQuadPredicate self) -> std::string"""
13415 return _IMP_core.OrderedTypeQuadPredicate___str__(self)
13417 def __repr__(self):
13418 r"""__repr__(OrderedTypeQuadPredicate self) -> std::string"""
13419 return _IMP_core.OrderedTypeQuadPredicate___repr__(self)
13423 return _object_cast_to_OrderedTypeQuadPredicate(o)
13427 _IMP_core.OrderedTypeQuadPredicate_swigregister(OrderedTypeQuadPredicate)
13429 r"""Proxy of C++ IMP::core::AllSameQuadPredicate class."""
13431 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13433 def __init__(self, *args):
13434 r"""__init__(AllSameQuadPredicate self, std::string name="AllSameQuadPredicate%1%") -> AllSameQuadPredicate"""
13435 _IMP_core.AllSameQuadPredicate_swiginit(self, _IMP_core.new_AllSameQuadPredicate(*args))
13437 def do_get_inputs(self, arg2, arg3):
13438 r"""do_get_inputs(AllSameQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13439 return _IMP_core.AllSameQuadPredicate_do_get_inputs(self, arg2, arg3)
13441 def get_value(self, *args):
13443 get_value(AllSameQuadPredicate self, IMP::ParticleQuad const & a) -> int
13444 get_value(AllSameQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13446 return _IMP_core.AllSameQuadPredicate_get_value(self, *args)
13448 def get_value_index(self, *args):
13450 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13451 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13453 return _IMP_core.AllSameQuadPredicate_get_value_index(self, *args)
13455 def get_version_info(self):
13456 r"""get_version_info(AllSameQuadPredicate self) -> VersionInfo"""
13457 return _IMP_core.AllSameQuadPredicate_get_version_info(self)
13458 __swig_destroy__ = _IMP_core.delete_AllSameQuadPredicate
13461 r"""__str__(AllSameQuadPredicate self) -> std::string"""
13462 return _IMP_core.AllSameQuadPredicate___str__(self)
13464 def __repr__(self):
13465 r"""__repr__(AllSameQuadPredicate self) -> std::string"""
13466 return _IMP_core.AllSameQuadPredicate___repr__(self)
13470 return _object_cast_to_AllSameQuadPredicate(o)
13473 def _get_as_binary(self):
13474 r"""_get_as_binary(AllSameQuadPredicate self) -> PyObject *"""
13475 return _IMP_core.AllSameQuadPredicate__get_as_binary(self)
13477 def _set_from_binary(self, p):
13478 r"""_set_from_binary(AllSameQuadPredicate self, PyObject * p)"""
13479 return _IMP_core.AllSameQuadPredicate__set_from_binary(self, p)
13481 def __getstate__(self):
13482 p = self._get_as_binary()
13483 if len(self.__dict__) > 1:
13484 d = self.__dict__.copy()
13489 def __setstate__(self, p):
13490 if not hasattr(self,
'this'):
13492 if isinstance(p, tuple):
13494 self.__dict__.update(d)
13495 return self._set_from_binary(p)
13499 _IMP_core.AllSameQuadPredicate_swigregister(AllSameQuadPredicate)
13501 r"""Proxy of C++ IMP::core::CoinFlipQuadPredicate class."""
13503 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13505 def __init__(self, *args):
13506 r"""__init__(CoinFlipQuadPredicate self, double p, std::string name="CoinFlipQuadPredicate%1%") -> CoinFlipQuadPredicate"""
13507 _IMP_core.CoinFlipQuadPredicate_swiginit(self, _IMP_core.new_CoinFlipQuadPredicate(*args))
13509 def do_get_inputs(self, arg2, arg3):
13510 r"""do_get_inputs(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13511 return _IMP_core.CoinFlipQuadPredicate_do_get_inputs(self, arg2, arg3)
13513 def get_value(self, *args):
13515 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuad const & a) -> int
13516 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13518 return _IMP_core.CoinFlipQuadPredicate_get_value(self, *args)
13520 def get_value_index(self, *args):
13522 get_value_index(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
13523 get_value_index(CoinFlipQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13525 return _IMP_core.CoinFlipQuadPredicate_get_value_index(self, *args)
13527 def get_version_info(self):
13528 r"""get_version_info(CoinFlipQuadPredicate self) -> VersionInfo"""
13529 return _IMP_core.CoinFlipQuadPredicate_get_version_info(self)
13530 __swig_destroy__ = _IMP_core.delete_CoinFlipQuadPredicate
13533 r"""__str__(CoinFlipQuadPredicate self) -> std::string"""
13534 return _IMP_core.CoinFlipQuadPredicate___str__(self)
13536 def __repr__(self):
13537 r"""__repr__(CoinFlipQuadPredicate self) -> std::string"""
13538 return _IMP_core.CoinFlipQuadPredicate___repr__(self)
13542 return _object_cast_to_CoinFlipQuadPredicate(o)
13546 _IMP_core.CoinFlipQuadPredicate_swigregister(CoinFlipQuadPredicate)
13548 r"""Proxy of C++ IMP::core::InBoundingBox3DSingletonPredicate class."""
13550 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13552 def __init__(self, *args):
13553 r"""__init__(InBoundingBox3DSingletonPredicate self, BoundingBox3D bb, std::string name="InBoundingBox3DSingletonPredicate%1%") -> InBoundingBox3DSingletonPredicate"""
13554 _IMP_core.InBoundingBox3DSingletonPredicate_swiginit(self, _IMP_core.new_InBoundingBox3DSingletonPredicate(*args))
13556 def do_get_inputs(self, m, pi):
13557 r"""do_get_inputs(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13558 return _IMP_core.InBoundingBox3DSingletonPredicate_do_get_inputs(self, m, pi)
13560 def get_value(self, *args):
13562 get_value(InBoundingBox3DSingletonPredicate self, Particle a) -> int
13563 get_value(InBoundingBox3DSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
13565 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value(self, *args)
13567 def get_value_index(self, *args):
13569 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, ParticleIndex pi) -> int
13570 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
13572 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value_index(self, *args)
13574 def get_version_info(self):
13575 r"""get_version_info(InBoundingBox3DSingletonPredicate self) -> VersionInfo"""
13576 return _IMP_core.InBoundingBox3DSingletonPredicate_get_version_info(self)
13577 __swig_destroy__ = _IMP_core.delete_InBoundingBox3DSingletonPredicate
13580 r"""__str__(InBoundingBox3DSingletonPredicate self) -> std::string"""
13581 return _IMP_core.InBoundingBox3DSingletonPredicate___str__(self)
13583 def __repr__(self):
13584 r"""__repr__(InBoundingBox3DSingletonPredicate self) -> std::string"""
13585 return _IMP_core.InBoundingBox3DSingletonPredicate___repr__(self)
13589 return _object_cast_to_InBoundingBox3DSingletonPredicate(o)
13593 _IMP_core.InBoundingBox3DSingletonPredicate_swigregister(InBoundingBox3DSingletonPredicate)
13595 r"""Proxy of C++ IMP::core::AttributeSingletonPredicate class."""
13597 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13599 def __init__(self, *args):
13600 r"""__init__(AttributeSingletonPredicate self, IntKey bb, std::string name="AttributeSingletonPredicate%1%") -> AttributeSingletonPredicate"""
13601 _IMP_core.AttributeSingletonPredicate_swiginit(self, _IMP_core.new_AttributeSingletonPredicate(*args))
13603 def do_get_inputs(self, m, pi):
13604 r"""do_get_inputs(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13605 return _IMP_core.AttributeSingletonPredicate_do_get_inputs(self, m, pi)
13607 def get_value(self, *args):
13609 get_value(AttributeSingletonPredicate self, Particle a) -> int
13610 get_value(AttributeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
13612 return _IMP_core.AttributeSingletonPredicate_get_value(self, *args)
13614 def get_value_index(self, *args):
13616 get_value_index(AttributeSingletonPredicate self, Model m, ParticleIndex pi) -> int
13617 get_value_index(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
13619 return _IMP_core.AttributeSingletonPredicate_get_value_index(self, *args)
13621 def get_version_info(self):
13622 r"""get_version_info(AttributeSingletonPredicate self) -> VersionInfo"""
13623 return _IMP_core.AttributeSingletonPredicate_get_version_info(self)
13624 __swig_destroy__ = _IMP_core.delete_AttributeSingletonPredicate
13627 r"""__str__(AttributeSingletonPredicate self) -> std::string"""
13628 return _IMP_core.AttributeSingletonPredicate___str__(self)
13630 def __repr__(self):
13631 r"""__repr__(AttributeSingletonPredicate self) -> std::string"""
13632 return _IMP_core.AttributeSingletonPredicate___repr__(self)
13636 return _object_cast_to_AttributeSingletonPredicate(o)
13640 _IMP_core.AttributeSingletonPredicate_swigregister(AttributeSingletonPredicate)
13642 r"""Proxy of C++ IMP::core::IsCollisionPairPredicate class."""
13644 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13646 def __init__(self, *args):
13647 r"""__init__(IsCollisionPairPredicate self, std::string name="CollisionPairPredicate%1%") -> IsCollisionPairPredicate"""
13648 _IMP_core.IsCollisionPairPredicate_swiginit(self, _IMP_core.new_IsCollisionPairPredicate(*args))
13650 def do_get_inputs(self, m, pi):
13651 r"""do_get_inputs(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13652 return _IMP_core.IsCollisionPairPredicate_do_get_inputs(self, m, pi)
13654 def get_value(self, *args):
13656 get_value(IsCollisionPairPredicate self, IMP::ParticlePair const & a) -> int
13657 get_value(IsCollisionPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
13659 return _IMP_core.IsCollisionPairPredicate_get_value(self, *args)
13661 def get_value_index(self, *args):
13663 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
13664 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
13666 return _IMP_core.IsCollisionPairPredicate_get_value_index(self, *args)
13668 def get_version_info(self):
13669 r"""get_version_info(IsCollisionPairPredicate self) -> VersionInfo"""
13670 return _IMP_core.IsCollisionPairPredicate_get_version_info(self)
13671 __swig_destroy__ = _IMP_core.delete_IsCollisionPairPredicate
13674 r"""__str__(IsCollisionPairPredicate self) -> std::string"""
13675 return _IMP_core.IsCollisionPairPredicate___str__(self)
13677 def __repr__(self):
13678 r"""__repr__(IsCollisionPairPredicate self) -> std::string"""
13679 return _IMP_core.IsCollisionPairPredicate___repr__(self)
13683 return _object_cast_to_IsCollisionPairPredicate(o)
13687 _IMP_core.IsCollisionPairPredicate_swigregister(IsCollisionPairPredicate)
13688 class AngleRestraint(TripletRestraint):
13689 r"""Proxy of C++ IMP::core::AngleRestraint class."""
13691 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13693 def __init__(self, *args):
13695 __init__(AngleRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3) -> AngleRestraint
13696 __init__(AngleRestraint self) -> AngleRestraint
13698 _IMP_core.AngleRestraint_swiginit(self, _IMP_core.new_AngleRestraint(*args))
13699 __swig_destroy__ = _IMP_core.delete_AngleRestraint
13702 r"""__str__(AngleRestraint self) -> std::string"""
13703 return _IMP_core.AngleRestraint___str__(self)
13705 def __repr__(self):
13706 r"""__repr__(AngleRestraint self) -> std::string"""
13707 return _IMP_core.AngleRestraint___repr__(self)
13711 return _object_cast_to_AngleRestraint(o)
13714 def _get_as_binary(self):
13715 r"""_get_as_binary(AngleRestraint self) -> PyObject *"""
13716 return _IMP_core.AngleRestraint__get_as_binary(self)
13718 def _set_from_binary(self, p):
13719 r"""_set_from_binary(AngleRestraint self, PyObject * p)"""
13720 return _IMP_core.AngleRestraint__set_from_binary(self, p)
13722 def __getstate__(self):
13723 p = self._get_as_binary()
13724 if len(self.__dict__) > 1:
13725 d = self.__dict__.copy()
13730 def __setstate__(self, p):
13731 if not hasattr(self,
'this'):
13733 if isinstance(p, tuple):
13735 self.__dict__.update(d)
13736 return self._set_from_binary(p)
13740 _IMP_core.AngleRestraint_swigregister(AngleRestraint)
13741 class DihedralRestraint(QuadRestraint):
13742 r"""Proxy of C++ IMP::core::DihedralRestraint class."""
13744 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13746 def __init__(self, *args):
13748 __init__(DihedralRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3, _ParticleIndexAdaptor p4) -> DihedralRestraint
13749 __init__(DihedralRestraint self) -> DihedralRestraint
13751 _IMP_core.DihedralRestraint_swiginit(self, _IMP_core.new_DihedralRestraint(*args))
13752 __swig_destroy__ = _IMP_core.delete_DihedralRestraint
13755 r"""__str__(DihedralRestraint self) -> std::string"""
13756 return _IMP_core.DihedralRestraint___str__(self)
13758 def __repr__(self):
13759 r"""__repr__(DihedralRestraint self) -> std::string"""
13760 return _IMP_core.DihedralRestraint___repr__(self)
13764 return _object_cast_to_DihedralRestraint(o)
13767 def _get_as_binary(self):
13768 r"""_get_as_binary(DihedralRestraint self) -> PyObject *"""
13769 return _IMP_core.DihedralRestraint__get_as_binary(self)
13771 def _set_from_binary(self, p):
13772 r"""_set_from_binary(DihedralRestraint self, PyObject * p)"""
13773 return _IMP_core.DihedralRestraint__set_from_binary(self, p)
13775 def __getstate__(self):
13776 p = self._get_as_binary()
13777 if len(self.__dict__) > 1:
13778 d = self.__dict__.copy()
13783 def __setstate__(self, p):
13784 if not hasattr(self,
'this'):
13786 if isinstance(p, tuple):
13788 self.__dict__.update(d)
13789 return self._set_from_binary(p)
13793 _IMP_core.DihedralRestraint_swigregister(DihedralRestraint)
13794 class RigidBodyMover(MonteCarloMover):
13795 r"""Proxy of C++ IMP::core::RigidBodyMover class."""
13797 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13799 def __init__(self, *args):
13801 __init__(RigidBodyMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation) -> RigidBodyMover
13802 __init__(RigidBodyMover self) -> RigidBodyMover
13804 _IMP_core.RigidBodyMover_swiginit(self, _IMP_core.new_RigidBodyMover(*args))
13806 def set_maximum_translation(self, mt):
13807 r"""set_maximum_translation(RigidBodyMover self, IMP::Float mt)"""
13808 return _IMP_core.RigidBodyMover_set_maximum_translation(self, mt)
13810 def set_maximum_rotation(self, mr):
13811 r"""set_maximum_rotation(RigidBodyMover self, IMP::Float mr)"""
13812 return _IMP_core.RigidBodyMover_set_maximum_rotation(self, mr)
13814 def get_maximum_translation(self):
13815 r"""get_maximum_translation(RigidBodyMover self) -> IMP::Float"""
13816 return _IMP_core.RigidBodyMover_get_maximum_translation(self)
13818 def get_maximum_rotation(self):
13819 r"""get_maximum_rotation(RigidBodyMover self) -> IMP::Float"""
13820 return _IMP_core.RigidBodyMover_get_maximum_rotation(self)
13823 r"""get_index(RigidBodyMover self) -> ParticleIndex"""
13824 return _IMP_core.RigidBodyMover_get_index(self)
13826 def get_version_info(self):
13827 r"""get_version_info(RigidBodyMover self) -> VersionInfo"""
13828 return _IMP_core.RigidBodyMover_get_version_info(self)
13829 __swig_destroy__ = _IMP_core.delete_RigidBodyMover
13832 r"""__str__(RigidBodyMover self) -> std::string"""
13833 return _IMP_core.RigidBodyMover___str__(self)
13835 def __repr__(self):
13836 r"""__repr__(RigidBodyMover self) -> std::string"""
13837 return _IMP_core.RigidBodyMover___repr__(self)
13841 return _object_cast_to_RigidBodyMover(o)
13844 def _get_as_binary(self):
13845 r"""_get_as_binary(RigidBodyMover self) -> PyObject *"""
13846 return _IMP_core.RigidBodyMover__get_as_binary(self)
13848 def _set_from_binary(self, p):
13849 r"""_set_from_binary(RigidBodyMover self, PyObject * p)"""
13850 return _IMP_core.RigidBodyMover__set_from_binary(self, p)
13852 def __getstate__(self):
13853 p = self._get_as_binary()
13854 if len(self.__dict__) > 1:
13855 d = self.__dict__.copy()
13860 def __setstate__(self, p):
13861 if not hasattr(self,
'this'):
13863 if isinstance(p, tuple):
13865 self.__dict__.update(d)
13866 return self._set_from_binary(p)
13869 def _get_jax(self, space):
13871 import IMP.core._jax_rigid
13873 get_random_vector_in_3d_sphere,
13874 get_rotation_about_normalized_axis,
13875 _quaternion_multiply)
13876 max_angle = self.get_maximum_rotation()
13877 max_translation = self.get_maximum_translation()
13878 particle_index = self.get_index()
13879 body_index = IMP.core._jax_rigid._get_rigid_body_index(
13880 self.get_model(), self.get_index())
13882 def init_func(key):
13885 def propose_func(jm, key):
13886 body = jm[
'rigid_bodies'].bodies[body_index]
13887 tf = body.get_transformation(jm)
13889 if max_translation > 0:
13890 key, subkey = jax.random.split(key)
13891 tf.translation = space.shift(
13893 get_random_vector_in_3d_sphere(subkey, max_translation)[0])
13895 key, subkey1, subkey2 = jax.random.split(key, 3)
13896 axis_norm = get_random_vector_on_3d_sphere(subkey1, 1.0)[0]
13897 angle = jax.random.uniform(
13898 subkey2, minval=-max_angle, maxval=max_angle)
13900 tf.rotation = _quaternion_multiply(rotation, tf.rotation)
13901 jm = body.set_transformation_lazy(tf, jm)
13902 return jm, key, 1.0
13904 return self._wrap_jax(init_func, propose_func, keys=[
'rigid_bodies'])
13908 _IMP_core.RigidBodyMover_swigregister(RigidBodyMover)
13909 class RigidBodyTunneler(MonteCarloMover):
13910 r"""Proxy of C++ IMP::core::RigidBodyTunneler class."""
13912 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13914 def __init__(self, m, pis, ref, k, move_probability=1.):
13915 r"""__init__(RigidBodyTunneler self, Model m, IMP::ParticleIndexes pis, ParticleIndex ref, double k, double move_probability=1.) -> RigidBodyTunneler"""
13916 _IMP_core.RigidBodyTunneler_swiginit(self, _IMP_core.new_RigidBodyTunneler(m, pis, ref, k, move_probability))
13918 def add_entry_point(self, fl):
13919 r"""add_entry_point(RigidBodyTunneler self, IMP::Floats fl)"""
13920 return _IMP_core.RigidBodyTunneler_add_entry_point(self, fl)
13922 def reset_stats(self):
13923 r"""reset_stats(RigidBodyTunneler self)"""
13924 return _IMP_core.RigidBodyTunneler_reset_stats(self)
13926 def get_number_of_rejected_moves(self):
13927 r"""get_number_of_rejected_moves(RigidBodyTunneler self) -> unsigned int"""
13928 return _IMP_core.RigidBodyTunneler_get_number_of_rejected_moves(self)
13930 def get_number_of_proposed_moves(self):
13931 r"""get_number_of_proposed_moves(RigidBodyTunneler self) -> unsigned int"""
13932 return _IMP_core.RigidBodyTunneler_get_number_of_proposed_moves(self)
13934 def get_number_of_impossible_moves(self):
13935 r"""get_number_of_impossible_moves(RigidBodyTunneler self) -> unsigned int"""
13936 return _IMP_core.RigidBodyTunneler_get_number_of_impossible_moves(self)
13938 def get_number_of_calls(self):
13939 r"""get_number_of_calls(RigidBodyTunneler self) -> unsigned int"""
13940 return _IMP_core.RigidBodyTunneler_get_number_of_calls(self)
13943 def get_reduced_coordinates(*args):
13945 get_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref) -> IMP::Floats
13946 get_reduced_coordinates(Model m, ParticleIndex pi) -> IMP::Floats
13948 return _IMP_core.RigidBodyTunneler_get_reduced_coordinates(*args)
13951 def set_reduced_coordinates(m, target, ref, coords):
13952 r"""set_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref, IMP::Floats coords)"""
13953 return _IMP_core.RigidBodyTunneler_set_reduced_coordinates(m, target, ref, coords)
13955 def get_version_info(self):
13956 r"""get_version_info(RigidBodyTunneler self) -> VersionInfo"""
13957 return _IMP_core.RigidBodyTunneler_get_version_info(self)
13958 __swig_destroy__ = _IMP_core.delete_RigidBodyTunneler
13961 r"""__str__(RigidBodyTunneler self) -> std::string"""
13962 return _IMP_core.RigidBodyTunneler___str__(self)
13964 def __repr__(self):
13965 r"""__repr__(RigidBodyTunneler self) -> std::string"""
13966 return _IMP_core.RigidBodyTunneler___repr__(self)
13970 return _object_cast_to_RigidBodyTunneler(o)
13974 _IMP_core.RigidBodyTunneler_swigregister(RigidBodyTunneler)
13976 r"""Proxy of C++ IMP::core::RigidBodyUmbrella class."""
13978 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13980 def __init__(self, *args):
13982 __init__(RigidBodyUmbrella self, Model m, ParticleIndex pi, ParticleIndex ref, IMP::Floats x0, double alpha, double k, std::string name="RigidBodyUmbrella %1%") -> RigidBodyUmbrella
13983 __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
13985 _IMP_core.RigidBodyUmbrella_swiginit(self, _IMP_core.new_RigidBodyUmbrella(*args))
13987 def set_x0(self, *args):
13989 set_x0(RigidBodyUmbrella self, IMP::Floats x0)
13990 set_x0(RigidBodyUmbrella self, double _lambda, IMP::Floats x1, IMP::Floats x2)
13992 return _IMP_core.RigidBodyUmbrella_set_x0(self, *args)
13995 r"""get_x0(RigidBodyUmbrella self) -> IMP::Floats"""
13996 return _IMP_core.RigidBodyUmbrella_get_x0(self)
13999 r"""get_x(RigidBodyUmbrella self) -> IMP::Floats"""
14000 return _IMP_core.RigidBodyUmbrella_get_x(self)
14002 def set_alpha(self, alpha):
14003 r"""set_alpha(RigidBodyUmbrella self, double alpha)"""
14004 return _IMP_core.RigidBodyUmbrella_set_alpha(self, alpha)
14006 def set_k(self, k):
14007 r"""set_k(RigidBodyUmbrella self, double k)"""
14008 return _IMP_core.RigidBodyUmbrella_set_k(self, k)
14010 def get_version_info(self):
14011 r"""get_version_info(RigidBodyUmbrella self) -> VersionInfo"""
14012 return _IMP_core.RigidBodyUmbrella_get_version_info(self)
14013 __swig_destroy__ = _IMP_core.delete_RigidBodyUmbrella
14016 r"""__str__(RigidBodyUmbrella self) -> std::string"""
14017 return _IMP_core.RigidBodyUmbrella___str__(self)
14019 def __repr__(self):
14020 r"""__repr__(RigidBodyUmbrella self) -> std::string"""
14021 return _IMP_core.RigidBodyUmbrella___repr__(self)
14025 return _object_cast_to_RigidBodyUmbrella(o)
14029 _IMP_core.RigidBodyUmbrella_swigregister(RigidBodyUmbrella)
14031 r"""Proxy of C++ IMP::core::VolumeRestraint class."""
14033 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14035 def __init__(self, f, sc, volume):
14036 r"""__init__(VolumeRestraint self, UnaryFunction f, SingletonContainer sc, double volume) -> VolumeRestraint"""
14037 _IMP_core.VolumeRestraint_swiginit(self, _IMP_core.new_VolumeRestraint(f, sc, volume))
14039 def do_get_inputs(self):
14040 r"""do_get_inputs(VolumeRestraint self) -> IMP::ModelObjectsTemp"""
14041 return _IMP_core.VolumeRestraint_do_get_inputs(self)
14043 def get_version_info(self):
14044 r"""get_version_info(VolumeRestraint self) -> VersionInfo"""
14045 return _IMP_core.VolumeRestraint_get_version_info(self)
14046 __swig_destroy__ = _IMP_core.delete_VolumeRestraint
14049 r"""__str__(VolumeRestraint self) -> std::string"""
14050 return _IMP_core.VolumeRestraint___str__(self)
14052 def __repr__(self):
14053 r"""__repr__(VolumeRestraint self) -> std::string"""
14054 return _IMP_core.VolumeRestraint___repr__(self)
14058 return _object_cast_to_VolumeRestraint(o)
14062 _IMP_core.VolumeRestraint_swigregister(VolumeRestraint)
14065 r"""get_centroid(IMP::core::XYZs const & ps) -> Vector3D"""
14066 return _IMP_core.get_centroid(ps)
14069 r"""get_bounding_box(IMP::core::XYZRs const & ps) -> BoundingBox3D"""
14070 return _IMP_core.get_bounding_box(ps)
14072 r"""Proxy of C++ IMP::core::MoveStatisticsScoreState class."""
14074 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14076 def __init__(self, ps):
14077 r"""__init__(MoveStatisticsScoreState self, IMP::ParticlesTemp const & ps) -> MoveStatisticsScoreState"""
14078 _IMP_core.MoveStatisticsScoreState_swiginit(self, _IMP_core.new_MoveStatisticsScoreState(ps))
14080 def show_statistics(self, *args):
14081 r"""show_statistics(MoveStatisticsScoreState self, _ostream out=std::cout)"""
14082 return _IMP_core.MoveStatisticsScoreState_show_statistics(self, *args)
14085 r"""reset(MoveStatisticsScoreState self)"""
14086 return _IMP_core.MoveStatisticsScoreState_reset(self)
14088 def do_before_evaluate(self):
14089 r"""do_before_evaluate(MoveStatisticsScoreState self)"""
14090 return _IMP_core.MoveStatisticsScoreState_do_before_evaluate(self)
14092 def do_after_evaluate(self, da):
14093 r"""do_after_evaluate(MoveStatisticsScoreState self, DerivativeAccumulator da)"""
14094 return _IMP_core.MoveStatisticsScoreState_do_after_evaluate(self, da)
14096 def do_get_inputs(self):
14097 r"""do_get_inputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
14098 return _IMP_core.MoveStatisticsScoreState_do_get_inputs(self)
14100 def do_get_outputs(self):
14101 r"""do_get_outputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
14102 return _IMP_core.MoveStatisticsScoreState_do_get_outputs(self)
14104 def get_version_info(self):
14105 r"""get_version_info(MoveStatisticsScoreState self) -> VersionInfo"""
14106 return _IMP_core.MoveStatisticsScoreState_get_version_info(self)
14107 __swig_destroy__ = _IMP_core.delete_MoveStatisticsScoreState
14110 r"""__str__(MoveStatisticsScoreState self) -> std::string"""
14111 return _IMP_core.MoveStatisticsScoreState___str__(self)
14113 def __repr__(self):
14114 r"""__repr__(MoveStatisticsScoreState self) -> std::string"""
14115 return _IMP_core.MoveStatisticsScoreState___repr__(self)
14119 return _object_cast_to_MoveStatisticsScoreState(o)
14123 _IMP_core.MoveStatisticsScoreState_swigregister(MoveStatisticsScoreState)
14124 IMP_PARTICLE_TYPE_INDEX = _IMP_core.IMP_PARTICLE_TYPE_INDEX
14127 r"""Proxy of C++ IMP::core::Typed class."""
14129 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14132 def get_type_key():
14133 r"""get_type_key() -> IntKey"""
14134 return _IMP_core.Typed_get_type_key()
14136 def __init__(self, *args):
14138 __init__(Typed self) -> Typed
14139 __init__(Typed self, Model m, ParticleIndex id) -> Typed
14140 __init__(Typed self, _ParticleAdaptor d) -> Typed
14142 _IMP_core.Typed_swiginit(self, _IMP_core.new_Typed(*args))
14144 def show(self, *args):
14145 r"""show(Typed self, _ostream out=std::cout)"""
14146 return _IMP_core.Typed_show(self, *args)
14149 def setup_particle(*args):
14151 setup_particle(Model m, ParticleIndex pi, ParticleType t) -> Typed
14152 setup_particle(_ParticleAdaptor pa, ParticleType t) -> Typed
14154 return _IMP_core.Typed_setup_particle(*args)
14157 def get_is_setup(*args):
14159 get_is_setup(_ParticleAdaptor p) -> bool
14160 get_is_setup(Model m, ParticleIndex pi) -> bool
14162 return _IMP_core.Typed_get_is_setup(*args)
14164 def get_type(self):
14165 r"""get_type(Typed self) -> ParticleType"""
14166 return _IMP_core.Typed_get_type(self)
14168 def set_type(self, pt):
14169 r"""set_type(Typed self, ParticleType pt)"""
14170 return _IMP_core.Typed_set_type(self, pt)
14172 def add_attribute(self, *args):
14174 add_attribute(Typed self, FloatKey k, IMP::Float v, bool opt)
14175 add_attribute(Typed self, FloatKey a0, IMP::Float a1)
14176 add_attribute(Typed self, IntKey a0, IMP::Int a1)
14177 add_attribute(Typed self, FloatsKey a0, IMP::Floats a1)
14178 add_attribute(Typed self, IntsKey a0, IMP::Ints a1)
14179 add_attribute(Typed self, StringKey a0, IMP::String a1)
14180 add_attribute(Typed self, ParticleIndexKey a0, Particle a1)
14181 add_attribute(Typed self, ObjectKey a0, Object a1)
14182 add_attribute(Typed self, SparseFloatKey a0, IMP::Float a1)
14183 add_attribute(Typed self, SparseIntKey a0, IMP::Int a1)
14184 add_attribute(Typed self, SparseStringKey a0, IMP::String a1)
14185 add_attribute(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
14187 return _IMP_core.Typed_add_attribute(self, *args)
14189 def get_value(self, *args):
14191 get_value(Typed self, FloatKey a0) -> IMP::Float
14192 get_value(Typed self, IntKey a0) -> IMP::Int
14193 get_value(Typed self, FloatsKey a0) -> IMP::Floats
14194 get_value(Typed self, IntsKey a0) -> IMP::Ints
14195 get_value(Typed self, StringKey a0) -> IMP::String
14196 get_value(Typed self, ParticleIndexKey a0) -> Particle
14197 get_value(Typed self, ObjectKey a0) -> Object
14198 get_value(Typed self, SparseFloatKey a0) -> IMP::Float
14199 get_value(Typed self, SparseIntKey a0) -> IMP::Int
14200 get_value(Typed self, SparseStringKey a0) -> IMP::String
14201 get_value(Typed self, SparseParticleIndexKey a0) -> ParticleIndex
14203 return _IMP_core.Typed_get_value(self, *args)
14205 def set_value(self, *args):
14207 set_value(Typed self, FloatKey a0, IMP::Float a1)
14208 set_value(Typed self, IntKey a0, IMP::Int a1)
14209 set_value(Typed self, FloatsKey a0, IMP::Floats a1)
14210 set_value(Typed self, IntsKey a0, IMP::Ints a1)
14211 set_value(Typed self, StringKey a0, IMP::String a1)
14212 set_value(Typed self, ParticleIndexKey a0, Particle a1)
14213 set_value(Typed self, ObjectKey a0, Object a1)
14214 set_value(Typed self, SparseFloatKey a0, IMP::Float a1)
14215 set_value(Typed self, SparseIntKey a0, IMP::Int a1)
14216 set_value(Typed self, SparseStringKey a0, IMP::String a1)
14217 set_value(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
14219 return _IMP_core.Typed_set_value(self, *args)
14221 def remove_attribute(self, *args):
14223 remove_attribute(Typed self, FloatKey a0)
14224 remove_attribute(Typed self, IntKey a0)
14225 remove_attribute(Typed self, FloatsKey a0)
14226 remove_attribute(Typed self, IntsKey a0)
14227 remove_attribute(Typed self, StringKey a0)
14228 remove_attribute(Typed self, ParticleIndexKey a0)
14229 remove_attribute(Typed self, ObjectKey a0)
14230 remove_attribute(Typed self, SparseFloatKey a0)
14231 remove_attribute(Typed self, SparseIntKey a0)
14232 remove_attribute(Typed self, SparseStringKey a0)
14233 remove_attribute(Typed self, SparseParticleIndexKey a0)
14235 return _IMP_core.Typed_remove_attribute(self, *args)
14237 def has_attribute(self, *args):
14239 has_attribute(Typed self, FloatKey a0) -> bool
14240 has_attribute(Typed self, IntKey a0) -> bool
14241 has_attribute(Typed self, FloatsKey a0) -> bool
14242 has_attribute(Typed self, IntsKey a0) -> bool
14243 has_attribute(Typed self, StringKey a0) -> bool
14244 has_attribute(Typed self, ParticleIndexKey a0) -> bool
14245 has_attribute(Typed self, ObjectKey a0) -> bool
14246 has_attribute(Typed self, SparseFloatKey a0) -> bool
14247 has_attribute(Typed self, SparseIntKey a0) -> bool
14248 has_attribute(Typed self, SparseStringKey a0) -> bool
14249 has_attribute(Typed self, SparseParticleIndexKey a0) -> bool
14251 return _IMP_core.Typed_has_attribute(self, *args)
14253 def get_derivative(self, a0):
14254 r"""get_derivative(Typed self, FloatKey a0) -> double"""
14255 return _IMP_core.Typed_get_derivative(self, a0)
14257 def get_name(self):
14258 r"""get_name(Typed self) -> std::string"""
14259 return _IMP_core.Typed_get_name(self)
14261 def clear_caches(self):
14262 r"""clear_caches(Typed self)"""
14263 return _IMP_core.Typed_clear_caches(self)
14265 def set_name(self, a0):
14266 r"""set_name(Typed self, std::string a0)"""
14267 return _IMP_core.Typed_set_name(self, a0)
14270 r"""set_check_level(Typed self, IMP::CheckLevel a0)"""
14271 return _IMP_core.Typed_set_check_level(self, a0)
14273 def add_to_derivative(self, a0, a1, a2):
14274 r"""add_to_derivative(Typed self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14275 return _IMP_core.Typed_add_to_derivative(self, a0, a1, a2)
14277 def set_is_optimized(self, a0, a1):
14278 r"""set_is_optimized(Typed self, FloatKey a0, bool a1)"""
14279 return _IMP_core.Typed_set_is_optimized(self, a0, a1)
14281 def get_is_optimized(self, a0):
14282 r"""get_is_optimized(Typed self, FloatKey a0) -> bool"""
14283 return _IMP_core.Typed_get_is_optimized(self, a0)
14286 r"""get_check_level(Typed self) -> IMP::CheckLevel"""
14287 return _IMP_core.Typed_get_check_level(self)
14289 def __eq__(self, *args):
14291 __eq__(Typed self, Typed o) -> bool
14292 __eq__(Typed self, Particle d) -> bool
14294 return _IMP_core.Typed___eq__(self, *args)
14296 def __ne__(self, *args):
14298 __ne__(Typed self, Typed o) -> bool
14299 __ne__(Typed self, Particle d) -> bool
14301 return _IMP_core.Typed___ne__(self, *args)
14303 def __le__(self, *args):
14305 __le__(Typed self, Typed o) -> bool
14306 __le__(Typed self, Particle d) -> bool
14308 return _IMP_core.Typed___le__(self, *args)
14310 def __lt__(self, *args):
14312 __lt__(Typed self, Typed o) -> bool
14313 __lt__(Typed self, Particle d) -> bool
14315 return _IMP_core.Typed___lt__(self, *args)
14317 def __ge__(self, *args):
14319 __ge__(Typed self, Typed o) -> bool
14320 __ge__(Typed self, Particle d) -> bool
14322 return _IMP_core.Typed___ge__(self, *args)
14324 def __gt__(self, *args):
14326 __gt__(Typed self, Typed o) -> bool
14327 __gt__(Typed self, Particle d) -> bool
14329 return _IMP_core.Typed___gt__(self, *args)
14331 def __hash__(self):
14332 r"""__hash__(Typed self) -> std::size_t"""
14333 return _IMP_core.Typed___hash__(self)
14336 r"""__str__(Typed self) -> std::string"""
14337 return _IMP_core.Typed___str__(self)
14339 def __repr__(self):
14340 r"""__repr__(Typed self) -> std::string"""
14341 return _IMP_core.Typed___repr__(self)
14343 def _get_as_binary(self):
14344 r"""_get_as_binary(Typed self) -> PyObject *"""
14345 return _IMP_core.Typed__get_as_binary(self)
14347 def _set_from_binary(self, p):
14348 r"""_set_from_binary(Typed self, PyObject * p)"""
14349 return _IMP_core.Typed__set_from_binary(self, p)
14351 def __getstate__(self):
14352 p = self._get_as_binary()
14353 if len(self.__dict__) > 1:
14354 d = self.__dict__.copy()
14359 def __setstate__(self, p):
14360 if not hasattr(self,
'this'):
14362 if isinstance(p, tuple):
14364 self.__dict__.update(d)
14365 return self._set_from_binary(p)
14367 __swig_destroy__ = _IMP_core.delete_Typed
14370 _IMP_core.Typed_swigregister(Typed)
14372 def __lshift__(*args):
14374 __lshift__(_ostream out, XYZ n) -> _ostream
14375 __lshift__(_ostream out, XYZR n) -> _ostream
14376 __lshift__(_ostream out, Direction n) -> _ostream
14377 __lshift__(_ostream out, DirectionAngle n) -> _ostream
14378 __lshift__(_ostream out, Surface n) -> _ostream
14379 __lshift__(_ostream out, Centroid n) -> _ostream
14380 __lshift__(_ostream out, Cover n) -> _ostream
14381 __lshift__(_ostream out, Reference n) -> _ostream
14382 __lshift__(_ostream out, RigidMember n) -> _ostream
14383 __lshift__(_ostream out, RigidBody n) -> _ostream
14384 __lshift__(_ostream out, Gaussian n) -> _ostream
14385 __lshift__(_ostream out, Typed n) -> _ostream
14387 return _IMP_core.__lshift__(*args)
14389 r"""Proxy of C++ IMP::core::WriteRestraintScoresOptimizerState class."""
14391 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14393 def __init__(self, rs, out):
14394 r"""__init__(WriteRestraintScoresOptimizerState self, IMP::Restraints const & rs, TextOutput out) -> WriteRestraintScoresOptimizerState"""
14395 _IMP_core.WriteRestraintScoresOptimizerState_swiginit(self, _IMP_core.new_WriteRestraintScoresOptimizerState(rs, out))
14397 def get_version_info(self):
14398 r"""get_version_info(WriteRestraintScoresOptimizerState self) -> VersionInfo"""
14399 return _IMP_core.WriteRestraintScoresOptimizerState_get_version_info(self)
14400 __swig_destroy__ = _IMP_core.delete_WriteRestraintScoresOptimizerState
14403 r"""__str__(WriteRestraintScoresOptimizerState self) -> std::string"""
14404 return _IMP_core.WriteRestraintScoresOptimizerState___str__(self)
14406 def __repr__(self):
14407 r"""__repr__(WriteRestraintScoresOptimizerState self) -> std::string"""
14408 return _IMP_core.WriteRestraintScoresOptimizerState___repr__(self)
14412 return _object_cast_to_WriteRestraintScoresOptimizerState(o)
14416 _IMP_core.WriteRestraintScoresOptimizerState_swigregister(WriteRestraintScoresOptimizerState)
14419 r"""assign_blame(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, FloatKey attribute)"""
14420 return _IMP_core.assign_blame(rs, ps, attribute)
14423 r"""create_blame_geometries(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, double max=NO_MAX, std::string name=std::string()) -> IMP::display::Geometries"""
14424 return _IMP_core.create_blame_geometries(*args)
14426 r"""Proxy of C++ IMP::core::MultipleBinormalRestraint class."""
14428 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14430 def __init__(self, m, q1, q2):
14431 r"""__init__(MultipleBinormalRestraint self, Model m, IMP::ParticleIndexQuad const & q1, IMP::ParticleIndexQuad const & q2) -> MultipleBinormalRestraint"""
14432 _IMP_core.MultipleBinormalRestraint_swiginit(self, _IMP_core.new_MultipleBinormalRestraint(m, q1, q2))
14434 def add_term(self, term):
14435 r"""add_term(MultipleBinormalRestraint self, BinormalTerm term)"""
14436 return _IMP_core.MultipleBinormalRestraint_add_term(self, term)
14438 def do_get_inputs(self):
14439 r"""do_get_inputs(MultipleBinormalRestraint self) -> IMP::ModelObjectsTemp"""
14440 return _IMP_core.MultipleBinormalRestraint_do_get_inputs(self)
14442 def get_version_info(self):
14443 r"""get_version_info(MultipleBinormalRestraint self) -> VersionInfo"""
14444 return _IMP_core.MultipleBinormalRestraint_get_version_info(self)
14445 __swig_destroy__ = _IMP_core.delete_MultipleBinormalRestraint
14448 r"""__str__(MultipleBinormalRestraint self) -> std::string"""
14449 return _IMP_core.MultipleBinormalRestraint___str__(self)
14451 def __repr__(self):
14452 r"""__repr__(MultipleBinormalRestraint self) -> std::string"""
14453 return _IMP_core.MultipleBinormalRestraint___repr__(self)
14457 return _object_cast_to_MultipleBinormalRestraint(o)
14461 _IMP_core.MultipleBinormalRestraint_swigregister(MultipleBinormalRestraint)
14462 class BinormalTerm(object):
14463 r"""Proxy of C++ IMP::core::BinormalTerm class."""
14465 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14467 def __init__(self):
14468 r"""__init__(BinormalTerm self) -> BinormalTerm"""
14469 _IMP_core.BinormalTerm_swiginit(self, _IMP_core.new_BinormalTerm())
14471 def set_correlation(self, correlation):
14472 r"""set_correlation(BinormalTerm self, double correlation)"""
14473 return _IMP_core.BinormalTerm_set_correlation(self, correlation)
14475 def set_weight(self, weight):
14476 r"""set_weight(BinormalTerm self, double weight)"""
14477 return _IMP_core.BinormalTerm_set_weight(self, weight)
14479 def set_means(self, means):
14480 r"""set_means(BinormalTerm self, IMP::FloatPair means)"""
14481 return _IMP_core.BinormalTerm_set_means(self, means)
14483 def set_standard_deviations(self, stdevs):
14484 r"""set_standard_deviations(BinormalTerm self, IMP::FloatPair stdevs)"""
14485 return _IMP_core.BinormalTerm_set_standard_deviations(self, stdevs)
14487 def show(self, *args):
14488 r"""show(BinormalTerm self, _ostream out=std::cout)"""
14489 return _IMP_core.BinormalTerm_show(self, *args)
14492 r"""__str__(BinormalTerm self) -> std::string"""
14493 return _IMP_core.BinormalTerm___str__(self)
14495 def __repr__(self):
14496 r"""__repr__(BinormalTerm self) -> std::string"""
14497 return _IMP_core.BinormalTerm___repr__(self)
14499 def _get_as_binary(self):
14500 r"""_get_as_binary(BinormalTerm self) -> PyObject *"""
14501 return _IMP_core.BinormalTerm__get_as_binary(self)
14503 def _set_from_binary(self, p):
14504 r"""_set_from_binary(BinormalTerm self, PyObject * p)"""
14505 return _IMP_core.BinormalTerm__set_from_binary(self, p)
14507 def __getstate__(self):
14508 p = self._get_as_binary()
14509 if len(self.__dict__) > 1:
14510 d = self.__dict__.copy()
14515 def __setstate__(self, p):
14516 if not hasattr(self,
'this'):
14518 if isinstance(p, tuple):
14520 self.__dict__.update(d)
14521 return self._set_from_binary(p)
14523 __swig_destroy__ = _IMP_core.delete_BinormalTerm
14526 _IMP_core.BinormalTerm_swigregister(BinormalTerm)
14528 r"""Proxy of C++ IMP::core::Provenance class."""
14530 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14532 def get_previous(self):
14533 r"""get_previous(Provenance self) -> Provenance"""
14534 return _IMP_core.Provenance_get_previous(self)
14536 def set_previous(self, p):
14537 r"""set_previous(Provenance self, Provenance p)"""
14538 return _IMP_core.Provenance_set_previous(self, p)
14540 def __init__(self, *args):
14542 __init__(Provenance self) -> Provenance
14543 __init__(Provenance self, Model m, ParticleIndex id) -> Provenance
14544 __init__(Provenance self, _ParticleAdaptor d) -> Provenance
14546 _IMP_core.Provenance_swiginit(self, _IMP_core.new_Provenance(*args))
14549 def get_is_setup(*args):
14551 get_is_setup(Model m, ParticleIndex pi) -> bool
14552 get_is_setup(_ParticleAdaptor p) -> bool
14554 return _IMP_core.Provenance_get_is_setup(*args)
14556 def show(self, *args):
14557 r"""show(Provenance self, _ostream out=std::cout)"""
14558 return _IMP_core.Provenance_show(self, *args)
14561 def setup_particle(*args):
14563 setup_particle(Model m, ParticleIndex pi) -> Provenance
14564 setup_particle(_ParticleAdaptor pa) -> Provenance
14566 return _IMP_core.Provenance_setup_particle(*args)
14568 def add_attribute(self, *args):
14570 add_attribute(Provenance self, FloatKey k, IMP::Float v, bool opt)
14571 add_attribute(Provenance self, FloatKey a0, IMP::Float a1)
14572 add_attribute(Provenance self, IntKey a0, IMP::Int a1)
14573 add_attribute(Provenance self, FloatsKey a0, IMP::Floats a1)
14574 add_attribute(Provenance self, IntsKey a0, IMP::Ints a1)
14575 add_attribute(Provenance self, StringKey a0, IMP::String a1)
14576 add_attribute(Provenance self, ParticleIndexKey a0, Particle a1)
14577 add_attribute(Provenance self, ObjectKey a0, Object a1)
14578 add_attribute(Provenance self, SparseFloatKey a0, IMP::Float a1)
14579 add_attribute(Provenance self, SparseIntKey a0, IMP::Int a1)
14580 add_attribute(Provenance self, SparseStringKey a0, IMP::String a1)
14581 add_attribute(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14583 return _IMP_core.Provenance_add_attribute(self, *args)
14585 def get_value(self, *args):
14587 get_value(Provenance self, FloatKey a0) -> IMP::Float
14588 get_value(Provenance self, IntKey a0) -> IMP::Int
14589 get_value(Provenance self, FloatsKey a0) -> IMP::Floats
14590 get_value(Provenance self, IntsKey a0) -> IMP::Ints
14591 get_value(Provenance self, StringKey a0) -> IMP::String
14592 get_value(Provenance self, ParticleIndexKey a0) -> Particle
14593 get_value(Provenance self, ObjectKey a0) -> Object
14594 get_value(Provenance self, SparseFloatKey a0) -> IMP::Float
14595 get_value(Provenance self, SparseIntKey a0) -> IMP::Int
14596 get_value(Provenance self, SparseStringKey a0) -> IMP::String
14597 get_value(Provenance self, SparseParticleIndexKey a0) -> ParticleIndex
14599 return _IMP_core.Provenance_get_value(self, *args)
14601 def set_value(self, *args):
14603 set_value(Provenance self, FloatKey a0, IMP::Float a1)
14604 set_value(Provenance self, IntKey a0, IMP::Int a1)
14605 set_value(Provenance self, FloatsKey a0, IMP::Floats a1)
14606 set_value(Provenance self, IntsKey a0, IMP::Ints a1)
14607 set_value(Provenance self, StringKey a0, IMP::String a1)
14608 set_value(Provenance self, ParticleIndexKey a0, Particle a1)
14609 set_value(Provenance self, ObjectKey a0, Object a1)
14610 set_value(Provenance self, SparseFloatKey a0, IMP::Float a1)
14611 set_value(Provenance self, SparseIntKey a0, IMP::Int a1)
14612 set_value(Provenance self, SparseStringKey a0, IMP::String a1)
14613 set_value(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14615 return _IMP_core.Provenance_set_value(self, *args)
14617 def remove_attribute(self, *args):
14619 remove_attribute(Provenance self, FloatKey a0)
14620 remove_attribute(Provenance self, IntKey a0)
14621 remove_attribute(Provenance self, FloatsKey a0)
14622 remove_attribute(Provenance self, IntsKey a0)
14623 remove_attribute(Provenance self, StringKey a0)
14624 remove_attribute(Provenance self, ParticleIndexKey a0)
14625 remove_attribute(Provenance self, ObjectKey a0)
14626 remove_attribute(Provenance self, SparseFloatKey a0)
14627 remove_attribute(Provenance self, SparseIntKey a0)
14628 remove_attribute(Provenance self, SparseStringKey a0)
14629 remove_attribute(Provenance self, SparseParticleIndexKey a0)
14631 return _IMP_core.Provenance_remove_attribute(self, *args)
14633 def has_attribute(self, *args):
14635 has_attribute(Provenance self, FloatKey a0) -> bool
14636 has_attribute(Provenance self, IntKey a0) -> bool
14637 has_attribute(Provenance self, FloatsKey a0) -> bool
14638 has_attribute(Provenance self, IntsKey a0) -> bool
14639 has_attribute(Provenance self, StringKey a0) -> bool
14640 has_attribute(Provenance self, ParticleIndexKey a0) -> bool
14641 has_attribute(Provenance self, ObjectKey a0) -> bool
14642 has_attribute(Provenance self, SparseFloatKey a0) -> bool
14643 has_attribute(Provenance self, SparseIntKey a0) -> bool
14644 has_attribute(Provenance self, SparseStringKey a0) -> bool
14645 has_attribute(Provenance self, SparseParticleIndexKey a0) -> bool
14647 return _IMP_core.Provenance_has_attribute(self, *args)
14649 def get_derivative(self, a0):
14650 r"""get_derivative(Provenance self, FloatKey a0) -> double"""
14651 return _IMP_core.Provenance_get_derivative(self, a0)
14653 def get_name(self):
14654 r"""get_name(Provenance self) -> std::string"""
14655 return _IMP_core.Provenance_get_name(self)
14657 def clear_caches(self):
14658 r"""clear_caches(Provenance self)"""
14659 return _IMP_core.Provenance_clear_caches(self)
14661 def set_name(self, a0):
14662 r"""set_name(Provenance self, std::string a0)"""
14663 return _IMP_core.Provenance_set_name(self, a0)
14666 r"""set_check_level(Provenance self, IMP::CheckLevel a0)"""
14667 return _IMP_core.Provenance_set_check_level(self, a0)
14669 def add_to_derivative(self, a0, a1, a2):
14670 r"""add_to_derivative(Provenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14671 return _IMP_core.Provenance_add_to_derivative(self, a0, a1, a2)
14673 def set_is_optimized(self, a0, a1):
14674 r"""set_is_optimized(Provenance self, FloatKey a0, bool a1)"""
14675 return _IMP_core.Provenance_set_is_optimized(self, a0, a1)
14677 def get_is_optimized(self, a0):
14678 r"""get_is_optimized(Provenance self, FloatKey a0) -> bool"""
14679 return _IMP_core.Provenance_get_is_optimized(self, a0)
14682 r"""get_check_level(Provenance self) -> IMP::CheckLevel"""
14683 return _IMP_core.Provenance_get_check_level(self)
14685 def __eq__(self, *args):
14687 __eq__(Provenance self, Provenance o) -> bool
14688 __eq__(Provenance self, Particle d) -> bool
14690 return _IMP_core.Provenance___eq__(self, *args)
14692 def __ne__(self, *args):
14694 __ne__(Provenance self, Provenance o) -> bool
14695 __ne__(Provenance self, Particle d) -> bool
14697 return _IMP_core.Provenance___ne__(self, *args)
14699 def __le__(self, *args):
14701 __le__(Provenance self, Provenance o) -> bool
14702 __le__(Provenance self, Particle d) -> bool
14704 return _IMP_core.Provenance___le__(self, *args)
14706 def __lt__(self, *args):
14708 __lt__(Provenance self, Provenance o) -> bool
14709 __lt__(Provenance self, Particle d) -> bool
14711 return _IMP_core.Provenance___lt__(self, *args)
14713 def __ge__(self, *args):
14715 __ge__(Provenance self, Provenance o) -> bool
14716 __ge__(Provenance self, Particle d) -> bool
14718 return _IMP_core.Provenance___ge__(self, *args)
14720 def __gt__(self, *args):
14722 __gt__(Provenance self, Provenance o) -> bool
14723 __gt__(Provenance self, Particle d) -> bool
14725 return _IMP_core.Provenance___gt__(self, *args)
14727 def __hash__(self):
14728 r"""__hash__(Provenance self) -> std::size_t"""
14729 return _IMP_core.Provenance___hash__(self)
14732 r"""__str__(Provenance self) -> std::string"""
14733 return _IMP_core.Provenance___str__(self)
14735 def __repr__(self):
14736 r"""__repr__(Provenance self) -> std::string"""
14737 return _IMP_core.Provenance___repr__(self)
14739 def _get_as_binary(self):
14740 r"""_get_as_binary(Provenance self) -> PyObject *"""
14741 return _IMP_core.Provenance__get_as_binary(self)
14743 def _set_from_binary(self, p):
14744 r"""_set_from_binary(Provenance self, PyObject * p)"""
14745 return _IMP_core.Provenance__set_from_binary(self, p)
14747 def __getstate__(self):
14748 p = self._get_as_binary()
14749 if len(self.__dict__) > 1:
14750 d = self.__dict__.copy()
14755 def __setstate__(self, p):
14756 if not hasattr(self,
'this'):
14758 if isinstance(p, tuple):
14760 self.__dict__.update(d)
14761 return self._set_from_binary(p)
14763 __swig_destroy__ = _IMP_core.delete_Provenance
14766 _IMP_core.Provenance_swigregister(Provenance)
14767 class StructureProvenance(Provenance):
14768 r"""Proxy of C++ IMP::core::StructureProvenance class."""
14770 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14772 def set_filename(self, filename):
14773 r"""set_filename(StructureProvenance self, std::string filename)"""
14774 return _IMP_core.StructureProvenance_set_filename(self, filename)
14776 def get_filename(self):
14777 r"""get_filename(StructureProvenance self) -> std::string"""
14778 return _IMP_core.StructureProvenance_get_filename(self)
14780 def set_chain_id(self, chain_id):
14781 r"""set_chain_id(StructureProvenance self, std::string chain_id)"""
14782 return _IMP_core.StructureProvenance_set_chain_id(self, chain_id)
14785 r"""get_chain_id(StructureProvenance self) -> std::string"""
14786 return _IMP_core.StructureProvenance_get_chain_id(self)
14788 def set_residue_offset(self, residue_offset):
14789 r"""set_residue_offset(StructureProvenance self, int residue_offset)"""
14790 return _IMP_core.StructureProvenance_set_residue_offset(self, residue_offset)
14792 def get_residue_offset(self):
14793 r"""get_residue_offset(StructureProvenance self) -> int"""
14794 return _IMP_core.StructureProvenance_get_residue_offset(self)
14796 def __init__(self, *args):
14798 __init__(StructureProvenance self) -> StructureProvenance
14799 __init__(StructureProvenance self, Model m, ParticleIndex id) -> StructureProvenance
14800 __init__(StructureProvenance self, _ParticleAdaptor d) -> StructureProvenance
14802 _IMP_core.StructureProvenance_swiginit(self, _IMP_core.new_StructureProvenance(*args))
14805 def get_is_setup(*args):
14807 get_is_setup(Model m, ParticleIndex pi) -> bool
14808 get_is_setup(_ParticleAdaptor p) -> bool
14810 return _IMP_core.StructureProvenance_get_is_setup(*args)
14812 def show(self, *args):
14813 r"""show(StructureProvenance self, _ostream out=std::cout)"""
14814 return _IMP_core.StructureProvenance_show(self, *args)
14817 def setup_particle(*args):
14819 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14820 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14821 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id) -> StructureProvenance
14822 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id) -> StructureProvenance
14823 setup_particle(Model m, ParticleIndex pi, StructureProvenance o) -> StructureProvenance
14824 setup_particle(_ParticleAdaptor pa, StructureProvenance o) -> StructureProvenance
14826 return _IMP_core.StructureProvenance_setup_particle(*args)
14828 def add_attribute(self, *args):
14830 add_attribute(StructureProvenance self, FloatKey k, IMP::Float v, bool opt)
14831 add_attribute(StructureProvenance self, FloatKey a0, IMP::Float a1)
14832 add_attribute(StructureProvenance self, IntKey a0, IMP::Int a1)
14833 add_attribute(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14834 add_attribute(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14835 add_attribute(StructureProvenance self, StringKey a0, IMP::String a1)
14836 add_attribute(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14837 add_attribute(StructureProvenance self, ObjectKey a0, Object a1)
14838 add_attribute(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14839 add_attribute(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14840 add_attribute(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14841 add_attribute(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14843 return _IMP_core.StructureProvenance_add_attribute(self, *args)
14845 def get_value(self, *args):
14847 get_value(StructureProvenance self, FloatKey a0) -> IMP::Float
14848 get_value(StructureProvenance self, IntKey a0) -> IMP::Int
14849 get_value(StructureProvenance self, FloatsKey a0) -> IMP::Floats
14850 get_value(StructureProvenance self, IntsKey a0) -> IMP::Ints
14851 get_value(StructureProvenance self, StringKey a0) -> IMP::String
14852 get_value(StructureProvenance self, ParticleIndexKey a0) -> Particle
14853 get_value(StructureProvenance self, ObjectKey a0) -> Object
14854 get_value(StructureProvenance self, SparseFloatKey a0) -> IMP::Float
14855 get_value(StructureProvenance self, SparseIntKey a0) -> IMP::Int
14856 get_value(StructureProvenance self, SparseStringKey a0) -> IMP::String
14857 get_value(StructureProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14859 return _IMP_core.StructureProvenance_get_value(self, *args)
14861 def set_value(self, *args):
14863 set_value(StructureProvenance self, FloatKey a0, IMP::Float a1)
14864 set_value(StructureProvenance self, IntKey a0, IMP::Int a1)
14865 set_value(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14866 set_value(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14867 set_value(StructureProvenance self, StringKey a0, IMP::String a1)
14868 set_value(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14869 set_value(StructureProvenance self, ObjectKey a0, Object a1)
14870 set_value(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14871 set_value(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14872 set_value(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14873 set_value(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14875 return _IMP_core.StructureProvenance_set_value(self, *args)
14877 def remove_attribute(self, *args):
14879 remove_attribute(StructureProvenance self, FloatKey a0)
14880 remove_attribute(StructureProvenance self, IntKey a0)
14881 remove_attribute(StructureProvenance self, FloatsKey a0)
14882 remove_attribute(StructureProvenance self, IntsKey a0)
14883 remove_attribute(StructureProvenance self, StringKey a0)
14884 remove_attribute(StructureProvenance self, ParticleIndexKey a0)
14885 remove_attribute(StructureProvenance self, ObjectKey a0)
14886 remove_attribute(StructureProvenance self, SparseFloatKey a0)
14887 remove_attribute(StructureProvenance self, SparseIntKey a0)
14888 remove_attribute(StructureProvenance self, SparseStringKey a0)
14889 remove_attribute(StructureProvenance self, SparseParticleIndexKey a0)
14891 return _IMP_core.StructureProvenance_remove_attribute(self, *args)
14893 def has_attribute(self, *args):
14895 has_attribute(StructureProvenance self, FloatKey a0) -> bool
14896 has_attribute(StructureProvenance self, IntKey a0) -> bool
14897 has_attribute(StructureProvenance self, FloatsKey a0) -> bool
14898 has_attribute(StructureProvenance self, IntsKey a0) -> bool
14899 has_attribute(StructureProvenance self, StringKey a0) -> bool
14900 has_attribute(StructureProvenance self, ParticleIndexKey a0) -> bool
14901 has_attribute(StructureProvenance self, ObjectKey a0) -> bool
14902 has_attribute(StructureProvenance self, SparseFloatKey a0) -> bool
14903 has_attribute(StructureProvenance self, SparseIntKey a0) -> bool
14904 has_attribute(StructureProvenance self, SparseStringKey a0) -> bool
14905 has_attribute(StructureProvenance self, SparseParticleIndexKey a0) -> bool
14907 return _IMP_core.StructureProvenance_has_attribute(self, *args)
14909 def get_derivative(self, a0):
14910 r"""get_derivative(StructureProvenance self, FloatKey a0) -> double"""
14911 return _IMP_core.StructureProvenance_get_derivative(self, a0)
14913 def get_name(self):
14914 r"""get_name(StructureProvenance self) -> std::string"""
14915 return _IMP_core.StructureProvenance_get_name(self)
14917 def clear_caches(self):
14918 r"""clear_caches(StructureProvenance self)"""
14919 return _IMP_core.StructureProvenance_clear_caches(self)
14921 def set_name(self, a0):
14922 r"""set_name(StructureProvenance self, std::string a0)"""
14923 return _IMP_core.StructureProvenance_set_name(self, a0)
14926 r"""set_check_level(StructureProvenance self, IMP::CheckLevel a0)"""
14927 return _IMP_core.StructureProvenance_set_check_level(self, a0)
14929 def add_to_derivative(self, a0, a1, a2):
14930 r"""add_to_derivative(StructureProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14931 return _IMP_core.StructureProvenance_add_to_derivative(self, a0, a1, a2)
14933 def set_is_optimized(self, a0, a1):
14934 r"""set_is_optimized(StructureProvenance self, FloatKey a0, bool a1)"""
14935 return _IMP_core.StructureProvenance_set_is_optimized(self, a0, a1)
14937 def get_is_optimized(self, a0):
14938 r"""get_is_optimized(StructureProvenance self, FloatKey a0) -> bool"""
14939 return _IMP_core.StructureProvenance_get_is_optimized(self, a0)
14942 r"""get_check_level(StructureProvenance self) -> IMP::CheckLevel"""
14943 return _IMP_core.StructureProvenance_get_check_level(self)
14945 def __eq__(self, *args):
14947 __eq__(StructureProvenance self, StructureProvenance o) -> bool
14948 __eq__(StructureProvenance self, Particle d) -> bool
14950 return _IMP_core.StructureProvenance___eq__(self, *args)
14952 def __ne__(self, *args):
14954 __ne__(StructureProvenance self, StructureProvenance o) -> bool
14955 __ne__(StructureProvenance self, Particle d) -> bool
14957 return _IMP_core.StructureProvenance___ne__(self, *args)
14959 def __le__(self, *args):
14961 __le__(StructureProvenance self, StructureProvenance o) -> bool
14962 __le__(StructureProvenance self, Particle d) -> bool
14964 return _IMP_core.StructureProvenance___le__(self, *args)
14966 def __lt__(self, *args):
14968 __lt__(StructureProvenance self, StructureProvenance o) -> bool
14969 __lt__(StructureProvenance self, Particle d) -> bool
14971 return _IMP_core.StructureProvenance___lt__(self, *args)
14973 def __ge__(self, *args):
14975 __ge__(StructureProvenance self, StructureProvenance o) -> bool
14976 __ge__(StructureProvenance self, Particle d) -> bool
14978 return _IMP_core.StructureProvenance___ge__(self, *args)
14980 def __gt__(self, *args):
14982 __gt__(StructureProvenance self, StructureProvenance o) -> bool
14983 __gt__(StructureProvenance self, Particle d) -> bool
14985 return _IMP_core.StructureProvenance___gt__(self, *args)
14987 def __hash__(self):
14988 r"""__hash__(StructureProvenance self) -> std::size_t"""
14989 return _IMP_core.StructureProvenance___hash__(self)
14992 r"""__str__(StructureProvenance self) -> std::string"""
14993 return _IMP_core.StructureProvenance___str__(self)
14995 def __repr__(self):
14996 r"""__repr__(StructureProvenance self) -> std::string"""
14997 return _IMP_core.StructureProvenance___repr__(self)
14999 def _get_as_binary(self):
15000 r"""_get_as_binary(StructureProvenance self) -> PyObject *"""
15001 return _IMP_core.StructureProvenance__get_as_binary(self)
15003 def _set_from_binary(self, p):
15004 r"""_set_from_binary(StructureProvenance self, PyObject * p)"""
15005 return _IMP_core.StructureProvenance__set_from_binary(self, p)
15007 def __getstate__(self):
15008 p = self._get_as_binary()
15009 if len(self.__dict__) > 1:
15010 d = self.__dict__.copy()
15015 def __setstate__(self, p):
15016 if not hasattr(self,
'this'):
15018 if isinstance(p, tuple):
15020 self.__dict__.update(d)
15021 return self._set_from_binary(p)
15023 __swig_destroy__ = _IMP_core.delete_StructureProvenance
15026 _IMP_core.StructureProvenance_swigregister(StructureProvenance)
15027 class SampleProvenance(Provenance):
15028 r"""Proxy of C++ IMP::core::SampleProvenance class."""
15030 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15032 def set_method(self, method):
15033 r"""set_method(SampleProvenance self, std::string method)"""
15034 return _IMP_core.SampleProvenance_set_method(self, method)
15036 def get_method(self):
15037 r"""get_method(SampleProvenance self) -> std::string"""
15038 return _IMP_core.SampleProvenance_get_method(self)
15040 def set_number_of_frames(self, frames):
15041 r"""set_number_of_frames(SampleProvenance self, int frames)"""
15042 return _IMP_core.SampleProvenance_set_number_of_frames(self, frames)
15045 r"""get_number_of_frames(SampleProvenance self) -> int"""
15046 return _IMP_core.SampleProvenance_get_number_of_frames(self)
15048 def set_number_of_iterations(self, iterations):
15049 r"""set_number_of_iterations(SampleProvenance self, int iterations)"""
15050 return _IMP_core.SampleProvenance_set_number_of_iterations(self, iterations)
15052 def get_number_of_iterations(self):
15053 r"""get_number_of_iterations(SampleProvenance self) -> int"""
15054 return _IMP_core.SampleProvenance_get_number_of_iterations(self)
15056 def set_number_of_replicas(self, replicas):
15057 r"""set_number_of_replicas(SampleProvenance self, int replicas)"""
15058 return _IMP_core.SampleProvenance_set_number_of_replicas(self, replicas)
15060 def get_number_of_replicas(self):
15061 r"""get_number_of_replicas(SampleProvenance self) -> int"""
15062 return _IMP_core.SampleProvenance_get_number_of_replicas(self)
15064 def __init__(self, *args):
15066 __init__(SampleProvenance self) -> SampleProvenance
15067 __init__(SampleProvenance self, Model m, ParticleIndex id) -> SampleProvenance
15068 __init__(SampleProvenance self, _ParticleAdaptor d) -> SampleProvenance
15070 _IMP_core.SampleProvenance_swiginit(self, _IMP_core.new_SampleProvenance(*args))
15073 def get_is_setup(*args):
15075 get_is_setup(Model m, ParticleIndex pi) -> bool
15076 get_is_setup(_ParticleAdaptor p) -> bool
15078 return _IMP_core.SampleProvenance_get_is_setup(*args)
15080 def show(self, *args):
15081 r"""show(SampleProvenance self, _ostream out=std::cout)"""
15082 return _IMP_core.SampleProvenance_show(self, *args)
15085 def setup_particle(*args):
15087 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
15088 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
15089 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations) -> SampleProvenance
15090 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations) -> SampleProvenance
15091 setup_particle(Model m, ParticleIndex pi, SampleProvenance o) -> SampleProvenance
15092 setup_particle(_ParticleAdaptor pa, SampleProvenance o) -> SampleProvenance
15094 return _IMP_core.SampleProvenance_setup_particle(*args)
15096 def add_attribute(self, *args):
15098 add_attribute(SampleProvenance self, FloatKey k, IMP::Float v, bool opt)
15099 add_attribute(SampleProvenance self, FloatKey a0, IMP::Float a1)
15100 add_attribute(SampleProvenance self, IntKey a0, IMP::Int a1)
15101 add_attribute(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
15102 add_attribute(SampleProvenance self, IntsKey a0, IMP::Ints a1)
15103 add_attribute(SampleProvenance self, StringKey a0, IMP::String a1)
15104 add_attribute(SampleProvenance self, ParticleIndexKey a0, Particle a1)
15105 add_attribute(SampleProvenance self, ObjectKey a0, Object a1)
15106 add_attribute(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
15107 add_attribute(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
15108 add_attribute(SampleProvenance self, SparseStringKey a0, IMP::String a1)
15109 add_attribute(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15111 return _IMP_core.SampleProvenance_add_attribute(self, *args)
15113 def get_value(self, *args):
15115 get_value(SampleProvenance self, FloatKey a0) -> IMP::Float
15116 get_value(SampleProvenance self, IntKey a0) -> IMP::Int
15117 get_value(SampleProvenance self, FloatsKey a0) -> IMP::Floats
15118 get_value(SampleProvenance self, IntsKey a0) -> IMP::Ints
15119 get_value(SampleProvenance self, StringKey a0) -> IMP::String
15120 get_value(SampleProvenance self, ParticleIndexKey a0) -> Particle
15121 get_value(SampleProvenance self, ObjectKey a0) -> Object
15122 get_value(SampleProvenance self, SparseFloatKey a0) -> IMP::Float
15123 get_value(SampleProvenance self, SparseIntKey a0) -> IMP::Int
15124 get_value(SampleProvenance self, SparseStringKey a0) -> IMP::String
15125 get_value(SampleProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15127 return _IMP_core.SampleProvenance_get_value(self, *args)
15129 def set_value(self, *args):
15131 set_value(SampleProvenance self, FloatKey a0, IMP::Float a1)
15132 set_value(SampleProvenance self, IntKey a0, IMP::Int a1)
15133 set_value(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
15134 set_value(SampleProvenance self, IntsKey a0, IMP::Ints a1)
15135 set_value(SampleProvenance self, StringKey a0, IMP::String a1)
15136 set_value(SampleProvenance self, ParticleIndexKey a0, Particle a1)
15137 set_value(SampleProvenance self, ObjectKey a0, Object a1)
15138 set_value(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
15139 set_value(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
15140 set_value(SampleProvenance self, SparseStringKey a0, IMP::String a1)
15141 set_value(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15143 return _IMP_core.SampleProvenance_set_value(self, *args)
15145 def remove_attribute(self, *args):
15147 remove_attribute(SampleProvenance self, FloatKey a0)
15148 remove_attribute(SampleProvenance self, IntKey a0)
15149 remove_attribute(SampleProvenance self, FloatsKey a0)
15150 remove_attribute(SampleProvenance self, IntsKey a0)
15151 remove_attribute(SampleProvenance self, StringKey a0)
15152 remove_attribute(SampleProvenance self, ParticleIndexKey a0)
15153 remove_attribute(SampleProvenance self, ObjectKey a0)
15154 remove_attribute(SampleProvenance self, SparseFloatKey a0)
15155 remove_attribute(SampleProvenance self, SparseIntKey a0)
15156 remove_attribute(SampleProvenance self, SparseStringKey a0)
15157 remove_attribute(SampleProvenance self, SparseParticleIndexKey a0)
15159 return _IMP_core.SampleProvenance_remove_attribute(self, *args)
15161 def has_attribute(self, *args):
15163 has_attribute(SampleProvenance self, FloatKey a0) -> bool
15164 has_attribute(SampleProvenance self, IntKey a0) -> bool
15165 has_attribute(SampleProvenance self, FloatsKey a0) -> bool
15166 has_attribute(SampleProvenance self, IntsKey a0) -> bool
15167 has_attribute(SampleProvenance self, StringKey a0) -> bool
15168 has_attribute(SampleProvenance self, ParticleIndexKey a0) -> bool
15169 has_attribute(SampleProvenance self, ObjectKey a0) -> bool
15170 has_attribute(SampleProvenance self, SparseFloatKey a0) -> bool
15171 has_attribute(SampleProvenance self, SparseIntKey a0) -> bool
15172 has_attribute(SampleProvenance self, SparseStringKey a0) -> bool
15173 has_attribute(SampleProvenance self, SparseParticleIndexKey a0) -> bool
15175 return _IMP_core.SampleProvenance_has_attribute(self, *args)
15177 def get_derivative(self, a0):
15178 r"""get_derivative(SampleProvenance self, FloatKey a0) -> double"""
15179 return _IMP_core.SampleProvenance_get_derivative(self, a0)
15181 def get_name(self):
15182 r"""get_name(SampleProvenance self) -> std::string"""
15183 return _IMP_core.SampleProvenance_get_name(self)
15185 def clear_caches(self):
15186 r"""clear_caches(SampleProvenance self)"""
15187 return _IMP_core.SampleProvenance_clear_caches(self)
15189 def set_name(self, a0):
15190 r"""set_name(SampleProvenance self, std::string a0)"""
15191 return _IMP_core.SampleProvenance_set_name(self, a0)
15194 r"""set_check_level(SampleProvenance self, IMP::CheckLevel a0)"""
15195 return _IMP_core.SampleProvenance_set_check_level(self, a0)
15197 def add_to_derivative(self, a0, a1, a2):
15198 r"""add_to_derivative(SampleProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15199 return _IMP_core.SampleProvenance_add_to_derivative(self, a0, a1, a2)
15201 def set_is_optimized(self, a0, a1):
15202 r"""set_is_optimized(SampleProvenance self, FloatKey a0, bool a1)"""
15203 return _IMP_core.SampleProvenance_set_is_optimized(self, a0, a1)
15205 def get_is_optimized(self, a0):
15206 r"""get_is_optimized(SampleProvenance self, FloatKey a0) -> bool"""
15207 return _IMP_core.SampleProvenance_get_is_optimized(self, a0)
15210 r"""get_check_level(SampleProvenance self) -> IMP::CheckLevel"""
15211 return _IMP_core.SampleProvenance_get_check_level(self)
15213 def __eq__(self, *args):
15215 __eq__(SampleProvenance self, SampleProvenance o) -> bool
15216 __eq__(SampleProvenance self, Particle d) -> bool
15218 return _IMP_core.SampleProvenance___eq__(self, *args)
15220 def __ne__(self, *args):
15222 __ne__(SampleProvenance self, SampleProvenance o) -> bool
15223 __ne__(SampleProvenance self, Particle d) -> bool
15225 return _IMP_core.SampleProvenance___ne__(self, *args)
15227 def __le__(self, *args):
15229 __le__(SampleProvenance self, SampleProvenance o) -> bool
15230 __le__(SampleProvenance self, Particle d) -> bool
15232 return _IMP_core.SampleProvenance___le__(self, *args)
15234 def __lt__(self, *args):
15236 __lt__(SampleProvenance self, SampleProvenance o) -> bool
15237 __lt__(SampleProvenance self, Particle d) -> bool
15239 return _IMP_core.SampleProvenance___lt__(self, *args)
15241 def __ge__(self, *args):
15243 __ge__(SampleProvenance self, SampleProvenance o) -> bool
15244 __ge__(SampleProvenance self, Particle d) -> bool
15246 return _IMP_core.SampleProvenance___ge__(self, *args)
15248 def __gt__(self, *args):
15250 __gt__(SampleProvenance self, SampleProvenance o) -> bool
15251 __gt__(SampleProvenance self, Particle d) -> bool
15253 return _IMP_core.SampleProvenance___gt__(self, *args)
15255 def __hash__(self):
15256 r"""__hash__(SampleProvenance self) -> std::size_t"""
15257 return _IMP_core.SampleProvenance___hash__(self)
15260 r"""__str__(SampleProvenance self) -> std::string"""
15261 return _IMP_core.SampleProvenance___str__(self)
15263 def __repr__(self):
15264 r"""__repr__(SampleProvenance self) -> std::string"""
15265 return _IMP_core.SampleProvenance___repr__(self)
15267 def _get_as_binary(self):
15268 r"""_get_as_binary(SampleProvenance self) -> PyObject *"""
15269 return _IMP_core.SampleProvenance__get_as_binary(self)
15271 def _set_from_binary(self, p):
15272 r"""_set_from_binary(SampleProvenance self, PyObject * p)"""
15273 return _IMP_core.SampleProvenance__set_from_binary(self, p)
15275 def __getstate__(self):
15276 p = self._get_as_binary()
15277 if len(self.__dict__) > 1:
15278 d = self.__dict__.copy()
15283 def __setstate__(self, p):
15284 if not hasattr(self,
'this'):
15286 if isinstance(p, tuple):
15288 self.__dict__.update(d)
15289 return self._set_from_binary(p)
15291 __swig_destroy__ = _IMP_core.delete_SampleProvenance
15294 _IMP_core.SampleProvenance_swigregister(SampleProvenance)
15295 class CombineProvenance(Provenance):
15296 r"""Proxy of C++ IMP::core::CombineProvenance class."""
15298 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15300 def set_number_of_frames(self, frames):
15301 r"""set_number_of_frames(CombineProvenance self, int frames)"""
15302 return _IMP_core.CombineProvenance_set_number_of_frames(self, frames)
15305 r"""get_number_of_frames(CombineProvenance self) -> int"""
15306 return _IMP_core.CombineProvenance_get_number_of_frames(self)
15308 def set_number_of_runs(self, runs):
15309 r"""set_number_of_runs(CombineProvenance self, int runs)"""
15310 return _IMP_core.CombineProvenance_set_number_of_runs(self, runs)
15312 def get_number_of_runs(self):
15313 r"""get_number_of_runs(CombineProvenance self) -> int"""
15314 return _IMP_core.CombineProvenance_get_number_of_runs(self)
15316 def __init__(self, *args):
15318 __init__(CombineProvenance self) -> CombineProvenance
15319 __init__(CombineProvenance self, Model m, ParticleIndex id) -> CombineProvenance
15320 __init__(CombineProvenance self, _ParticleAdaptor d) -> CombineProvenance
15322 _IMP_core.CombineProvenance_swiginit(self, _IMP_core.new_CombineProvenance(*args))
15325 def get_is_setup(*args):
15327 get_is_setup(Model m, ParticleIndex pi) -> bool
15328 get_is_setup(_ParticleAdaptor p) -> bool
15330 return _IMP_core.CombineProvenance_get_is_setup(*args)
15332 def show(self, *args):
15333 r"""show(CombineProvenance self, _ostream out=std::cout)"""
15334 return _IMP_core.CombineProvenance_show(self, *args)
15337 def setup_particle(*args):
15339 setup_particle(Model m, ParticleIndex pi, int runs, int frames) -> CombineProvenance
15340 setup_particle(_ParticleAdaptor pa, int runs, int frames) -> CombineProvenance
15341 setup_particle(Model m, ParticleIndex pi, CombineProvenance o) -> CombineProvenance
15342 setup_particle(_ParticleAdaptor pa, CombineProvenance o) -> CombineProvenance
15344 return _IMP_core.CombineProvenance_setup_particle(*args)
15346 def add_attribute(self, *args):
15348 add_attribute(CombineProvenance self, FloatKey k, IMP::Float v, bool opt)
15349 add_attribute(CombineProvenance self, FloatKey a0, IMP::Float a1)
15350 add_attribute(CombineProvenance self, IntKey a0, IMP::Int a1)
15351 add_attribute(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
15352 add_attribute(CombineProvenance self, IntsKey a0, IMP::Ints a1)
15353 add_attribute(CombineProvenance self, StringKey a0, IMP::String a1)
15354 add_attribute(CombineProvenance self, ParticleIndexKey a0, Particle a1)
15355 add_attribute(CombineProvenance self, ObjectKey a0, Object a1)
15356 add_attribute(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
15357 add_attribute(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
15358 add_attribute(CombineProvenance self, SparseStringKey a0, IMP::String a1)
15359 add_attribute(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15361 return _IMP_core.CombineProvenance_add_attribute(self, *args)
15363 def get_value(self, *args):
15365 get_value(CombineProvenance self, FloatKey a0) -> IMP::Float
15366 get_value(CombineProvenance self, IntKey a0) -> IMP::Int
15367 get_value(CombineProvenance self, FloatsKey a0) -> IMP::Floats
15368 get_value(CombineProvenance self, IntsKey a0) -> IMP::Ints
15369 get_value(CombineProvenance self, StringKey a0) -> IMP::String
15370 get_value(CombineProvenance self, ParticleIndexKey a0) -> Particle
15371 get_value(CombineProvenance self, ObjectKey a0) -> Object
15372 get_value(CombineProvenance self, SparseFloatKey a0) -> IMP::Float
15373 get_value(CombineProvenance self, SparseIntKey a0) -> IMP::Int
15374 get_value(CombineProvenance self, SparseStringKey a0) -> IMP::String
15375 get_value(CombineProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15377 return _IMP_core.CombineProvenance_get_value(self, *args)
15379 def set_value(self, *args):
15381 set_value(CombineProvenance self, FloatKey a0, IMP::Float a1)
15382 set_value(CombineProvenance self, IntKey a0, IMP::Int a1)
15383 set_value(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
15384 set_value(CombineProvenance self, IntsKey a0, IMP::Ints a1)
15385 set_value(CombineProvenance self, StringKey a0, IMP::String a1)
15386 set_value(CombineProvenance self, ParticleIndexKey a0, Particle a1)
15387 set_value(CombineProvenance self, ObjectKey a0, Object a1)
15388 set_value(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
15389 set_value(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
15390 set_value(CombineProvenance self, SparseStringKey a0, IMP::String a1)
15391 set_value(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15393 return _IMP_core.CombineProvenance_set_value(self, *args)
15395 def remove_attribute(self, *args):
15397 remove_attribute(CombineProvenance self, FloatKey a0)
15398 remove_attribute(CombineProvenance self, IntKey a0)
15399 remove_attribute(CombineProvenance self, FloatsKey a0)
15400 remove_attribute(CombineProvenance self, IntsKey a0)
15401 remove_attribute(CombineProvenance self, StringKey a0)
15402 remove_attribute(CombineProvenance self, ParticleIndexKey a0)
15403 remove_attribute(CombineProvenance self, ObjectKey a0)
15404 remove_attribute(CombineProvenance self, SparseFloatKey a0)
15405 remove_attribute(CombineProvenance self, SparseIntKey a0)
15406 remove_attribute(CombineProvenance self, SparseStringKey a0)
15407 remove_attribute(CombineProvenance self, SparseParticleIndexKey a0)
15409 return _IMP_core.CombineProvenance_remove_attribute(self, *args)
15411 def has_attribute(self, *args):
15413 has_attribute(CombineProvenance self, FloatKey a0) -> bool
15414 has_attribute(CombineProvenance self, IntKey a0) -> bool
15415 has_attribute(CombineProvenance self, FloatsKey a0) -> bool
15416 has_attribute(CombineProvenance self, IntsKey a0) -> bool
15417 has_attribute(CombineProvenance self, StringKey a0) -> bool
15418 has_attribute(CombineProvenance self, ParticleIndexKey a0) -> bool
15419 has_attribute(CombineProvenance self, ObjectKey a0) -> bool
15420 has_attribute(CombineProvenance self, SparseFloatKey a0) -> bool
15421 has_attribute(CombineProvenance self, SparseIntKey a0) -> bool
15422 has_attribute(CombineProvenance self, SparseStringKey a0) -> bool
15423 has_attribute(CombineProvenance self, SparseParticleIndexKey a0) -> bool
15425 return _IMP_core.CombineProvenance_has_attribute(self, *args)
15427 def get_derivative(self, a0):
15428 r"""get_derivative(CombineProvenance self, FloatKey a0) -> double"""
15429 return _IMP_core.CombineProvenance_get_derivative(self, a0)
15431 def get_name(self):
15432 r"""get_name(CombineProvenance self) -> std::string"""
15433 return _IMP_core.CombineProvenance_get_name(self)
15435 def clear_caches(self):
15436 r"""clear_caches(CombineProvenance self)"""
15437 return _IMP_core.CombineProvenance_clear_caches(self)
15439 def set_name(self, a0):
15440 r"""set_name(CombineProvenance self, std::string a0)"""
15441 return _IMP_core.CombineProvenance_set_name(self, a0)
15444 r"""set_check_level(CombineProvenance self, IMP::CheckLevel a0)"""
15445 return _IMP_core.CombineProvenance_set_check_level(self, a0)
15447 def add_to_derivative(self, a0, a1, a2):
15448 r"""add_to_derivative(CombineProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15449 return _IMP_core.CombineProvenance_add_to_derivative(self, a0, a1, a2)
15451 def set_is_optimized(self, a0, a1):
15452 r"""set_is_optimized(CombineProvenance self, FloatKey a0, bool a1)"""
15453 return _IMP_core.CombineProvenance_set_is_optimized(self, a0, a1)
15455 def get_is_optimized(self, a0):
15456 r"""get_is_optimized(CombineProvenance self, FloatKey a0) -> bool"""
15457 return _IMP_core.CombineProvenance_get_is_optimized(self, a0)
15460 r"""get_check_level(CombineProvenance self) -> IMP::CheckLevel"""
15461 return _IMP_core.CombineProvenance_get_check_level(self)
15463 def __eq__(self, *args):
15465 __eq__(CombineProvenance self, CombineProvenance o) -> bool
15466 __eq__(CombineProvenance self, Particle d) -> bool
15468 return _IMP_core.CombineProvenance___eq__(self, *args)
15470 def __ne__(self, *args):
15472 __ne__(CombineProvenance self, CombineProvenance o) -> bool
15473 __ne__(CombineProvenance self, Particle d) -> bool
15475 return _IMP_core.CombineProvenance___ne__(self, *args)
15477 def __le__(self, *args):
15479 __le__(CombineProvenance self, CombineProvenance o) -> bool
15480 __le__(CombineProvenance self, Particle d) -> bool
15482 return _IMP_core.CombineProvenance___le__(self, *args)
15484 def __lt__(self, *args):
15486 __lt__(CombineProvenance self, CombineProvenance o) -> bool
15487 __lt__(CombineProvenance self, Particle d) -> bool
15489 return _IMP_core.CombineProvenance___lt__(self, *args)
15491 def __ge__(self, *args):
15493 __ge__(CombineProvenance self, CombineProvenance o) -> bool
15494 __ge__(CombineProvenance self, Particle d) -> bool
15496 return _IMP_core.CombineProvenance___ge__(self, *args)
15498 def __gt__(self, *args):
15500 __gt__(CombineProvenance self, CombineProvenance o) -> bool
15501 __gt__(CombineProvenance self, Particle d) -> bool
15503 return _IMP_core.CombineProvenance___gt__(self, *args)
15505 def __hash__(self):
15506 r"""__hash__(CombineProvenance self) -> std::size_t"""
15507 return _IMP_core.CombineProvenance___hash__(self)
15510 r"""__str__(CombineProvenance self) -> std::string"""
15511 return _IMP_core.CombineProvenance___str__(self)
15513 def __repr__(self):
15514 r"""__repr__(CombineProvenance self) -> std::string"""
15515 return _IMP_core.CombineProvenance___repr__(self)
15517 def _get_as_binary(self):
15518 r"""_get_as_binary(CombineProvenance self) -> PyObject *"""
15519 return _IMP_core.CombineProvenance__get_as_binary(self)
15521 def _set_from_binary(self, p):
15522 r"""_set_from_binary(CombineProvenance self, PyObject * p)"""
15523 return _IMP_core.CombineProvenance__set_from_binary(self, p)
15525 def __getstate__(self):
15526 p = self._get_as_binary()
15527 if len(self.__dict__) > 1:
15528 d = self.__dict__.copy()
15533 def __setstate__(self, p):
15534 if not hasattr(self,
'this'):
15536 if isinstance(p, tuple):
15538 self.__dict__.update(d)
15539 return self._set_from_binary(p)
15541 __swig_destroy__ = _IMP_core.delete_CombineProvenance
15544 _IMP_core.CombineProvenance_swigregister(CombineProvenance)
15545 class FilterProvenance(Provenance):
15546 r"""Proxy of C++ IMP::core::FilterProvenance class."""
15548 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15550 def set_method(self, method):
15551 r"""set_method(FilterProvenance self, std::string method)"""
15552 return _IMP_core.FilterProvenance_set_method(self, method)
15554 def get_method(self):
15555 r"""get_method(FilterProvenance self) -> std::string"""
15556 return _IMP_core.FilterProvenance_get_method(self)
15558 def set_number_of_frames(self, frames):
15559 r"""set_number_of_frames(FilterProvenance self, int frames)"""
15560 return _IMP_core.FilterProvenance_set_number_of_frames(self, frames)
15563 r"""get_number_of_frames(FilterProvenance self) -> int"""
15564 return _IMP_core.FilterProvenance_get_number_of_frames(self)
15566 def set_threshold(self, threshold):
15567 r"""set_threshold(FilterProvenance self, double threshold)"""
15568 return _IMP_core.FilterProvenance_set_threshold(self, threshold)
15570 def get_threshold(self):
15571 r"""get_threshold(FilterProvenance self) -> double"""
15572 return _IMP_core.FilterProvenance_get_threshold(self)
15574 def __init__(self, *args):
15576 __init__(FilterProvenance self) -> FilterProvenance
15577 __init__(FilterProvenance self, Model m, ParticleIndex id) -> FilterProvenance
15578 __init__(FilterProvenance self, _ParticleAdaptor d) -> FilterProvenance
15580 _IMP_core.FilterProvenance_swiginit(self, _IMP_core.new_FilterProvenance(*args))
15583 def get_is_setup(*args):
15585 get_is_setup(Model m, ParticleIndex pi) -> bool
15586 get_is_setup(_ParticleAdaptor p) -> bool
15588 return _IMP_core.FilterProvenance_get_is_setup(*args)
15590 def show(self, *args):
15591 r"""show(FilterProvenance self, _ostream out=std::cout)"""
15592 return _IMP_core.FilterProvenance_show(self, *args)
15595 def setup_particle(*args):
15597 setup_particle(Model m, ParticleIndex pi, std::string method, double threshold, int frames) -> FilterProvenance
15598 setup_particle(_ParticleAdaptor pa, std::string method, double threshold, int frames) -> FilterProvenance
15599 setup_particle(Model m, ParticleIndex pi, FilterProvenance o) -> FilterProvenance
15600 setup_particle(_ParticleAdaptor pa, FilterProvenance o) -> FilterProvenance
15602 return _IMP_core.FilterProvenance_setup_particle(*args)
15604 def add_attribute(self, *args):
15606 add_attribute(FilterProvenance self, FloatKey k, IMP::Float v, bool opt)
15607 add_attribute(FilterProvenance self, FloatKey a0, IMP::Float a1)
15608 add_attribute(FilterProvenance self, IntKey a0, IMP::Int a1)
15609 add_attribute(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
15610 add_attribute(FilterProvenance self, IntsKey a0, IMP::Ints a1)
15611 add_attribute(FilterProvenance self, StringKey a0, IMP::String a1)
15612 add_attribute(FilterProvenance self, ParticleIndexKey a0, Particle a1)
15613 add_attribute(FilterProvenance self, ObjectKey a0, Object a1)
15614 add_attribute(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
15615 add_attribute(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
15616 add_attribute(FilterProvenance self, SparseStringKey a0, IMP::String a1)
15617 add_attribute(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15619 return _IMP_core.FilterProvenance_add_attribute(self, *args)
15621 def get_value(self, *args):
15623 get_value(FilterProvenance self, FloatKey a0) -> IMP::Float
15624 get_value(FilterProvenance self, IntKey a0) -> IMP::Int
15625 get_value(FilterProvenance self, FloatsKey a0) -> IMP::Floats
15626 get_value(FilterProvenance self, IntsKey a0) -> IMP::Ints
15627 get_value(FilterProvenance self, StringKey a0) -> IMP::String
15628 get_value(FilterProvenance self, ParticleIndexKey a0) -> Particle
15629 get_value(FilterProvenance self, ObjectKey a0) -> Object
15630 get_value(FilterProvenance self, SparseFloatKey a0) -> IMP::Float
15631 get_value(FilterProvenance self, SparseIntKey a0) -> IMP::Int
15632 get_value(FilterProvenance self, SparseStringKey a0) -> IMP::String
15633 get_value(FilterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15635 return _IMP_core.FilterProvenance_get_value(self, *args)
15637 def set_value(self, *args):
15639 set_value(FilterProvenance self, FloatKey a0, IMP::Float a1)
15640 set_value(FilterProvenance self, IntKey a0, IMP::Int a1)
15641 set_value(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
15642 set_value(FilterProvenance self, IntsKey a0, IMP::Ints a1)
15643 set_value(FilterProvenance self, StringKey a0, IMP::String a1)
15644 set_value(FilterProvenance self, ParticleIndexKey a0, Particle a1)
15645 set_value(FilterProvenance self, ObjectKey a0, Object a1)
15646 set_value(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
15647 set_value(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
15648 set_value(FilterProvenance self, SparseStringKey a0, IMP::String a1)
15649 set_value(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15651 return _IMP_core.FilterProvenance_set_value(self, *args)
15653 def remove_attribute(self, *args):
15655 remove_attribute(FilterProvenance self, FloatKey a0)
15656 remove_attribute(FilterProvenance self, IntKey a0)
15657 remove_attribute(FilterProvenance self, FloatsKey a0)
15658 remove_attribute(FilterProvenance self, IntsKey a0)
15659 remove_attribute(FilterProvenance self, StringKey a0)
15660 remove_attribute(FilterProvenance self, ParticleIndexKey a0)
15661 remove_attribute(FilterProvenance self, ObjectKey a0)
15662 remove_attribute(FilterProvenance self, SparseFloatKey a0)
15663 remove_attribute(FilterProvenance self, SparseIntKey a0)
15664 remove_attribute(FilterProvenance self, SparseStringKey a0)
15665 remove_attribute(FilterProvenance self, SparseParticleIndexKey a0)
15667 return _IMP_core.FilterProvenance_remove_attribute(self, *args)
15669 def has_attribute(self, *args):
15671 has_attribute(FilterProvenance self, FloatKey a0) -> bool
15672 has_attribute(FilterProvenance self, IntKey a0) -> bool
15673 has_attribute(FilterProvenance self, FloatsKey a0) -> bool
15674 has_attribute(FilterProvenance self, IntsKey a0) -> bool
15675 has_attribute(FilterProvenance self, StringKey a0) -> bool
15676 has_attribute(FilterProvenance self, ParticleIndexKey a0) -> bool
15677 has_attribute(FilterProvenance self, ObjectKey a0) -> bool
15678 has_attribute(FilterProvenance self, SparseFloatKey a0) -> bool
15679 has_attribute(FilterProvenance self, SparseIntKey a0) -> bool
15680 has_attribute(FilterProvenance self, SparseStringKey a0) -> bool
15681 has_attribute(FilterProvenance self, SparseParticleIndexKey a0) -> bool
15683 return _IMP_core.FilterProvenance_has_attribute(self, *args)
15685 def get_derivative(self, a0):
15686 r"""get_derivative(FilterProvenance self, FloatKey a0) -> double"""
15687 return _IMP_core.FilterProvenance_get_derivative(self, a0)
15689 def get_name(self):
15690 r"""get_name(FilterProvenance self) -> std::string"""
15691 return _IMP_core.FilterProvenance_get_name(self)
15693 def clear_caches(self):
15694 r"""clear_caches(FilterProvenance self)"""
15695 return _IMP_core.FilterProvenance_clear_caches(self)
15697 def set_name(self, a0):
15698 r"""set_name(FilterProvenance self, std::string a0)"""
15699 return _IMP_core.FilterProvenance_set_name(self, a0)
15702 r"""set_check_level(FilterProvenance self, IMP::CheckLevel a0)"""
15703 return _IMP_core.FilterProvenance_set_check_level(self, a0)
15705 def add_to_derivative(self, a0, a1, a2):
15706 r"""add_to_derivative(FilterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15707 return _IMP_core.FilterProvenance_add_to_derivative(self, a0, a1, a2)
15709 def set_is_optimized(self, a0, a1):
15710 r"""set_is_optimized(FilterProvenance self, FloatKey a0, bool a1)"""
15711 return _IMP_core.FilterProvenance_set_is_optimized(self, a0, a1)
15713 def get_is_optimized(self, a0):
15714 r"""get_is_optimized(FilterProvenance self, FloatKey a0) -> bool"""
15715 return _IMP_core.FilterProvenance_get_is_optimized(self, a0)
15718 r"""get_check_level(FilterProvenance self) -> IMP::CheckLevel"""
15719 return _IMP_core.FilterProvenance_get_check_level(self)
15721 def __eq__(self, *args):
15723 __eq__(FilterProvenance self, FilterProvenance o) -> bool
15724 __eq__(FilterProvenance self, Particle d) -> bool
15726 return _IMP_core.FilterProvenance___eq__(self, *args)
15728 def __ne__(self, *args):
15730 __ne__(FilterProvenance self, FilterProvenance o) -> bool
15731 __ne__(FilterProvenance self, Particle d) -> bool
15733 return _IMP_core.FilterProvenance___ne__(self, *args)
15735 def __le__(self, *args):
15737 __le__(FilterProvenance self, FilterProvenance o) -> bool
15738 __le__(FilterProvenance self, Particle d) -> bool
15740 return _IMP_core.FilterProvenance___le__(self, *args)
15742 def __lt__(self, *args):
15744 __lt__(FilterProvenance self, FilterProvenance o) -> bool
15745 __lt__(FilterProvenance self, Particle d) -> bool
15747 return _IMP_core.FilterProvenance___lt__(self, *args)
15749 def __ge__(self, *args):
15751 __ge__(FilterProvenance self, FilterProvenance o) -> bool
15752 __ge__(FilterProvenance self, Particle d) -> bool
15754 return _IMP_core.FilterProvenance___ge__(self, *args)
15756 def __gt__(self, *args):
15758 __gt__(FilterProvenance self, FilterProvenance o) -> bool
15759 __gt__(FilterProvenance self, Particle d) -> bool
15761 return _IMP_core.FilterProvenance___gt__(self, *args)
15763 def __hash__(self):
15764 r"""__hash__(FilterProvenance self) -> std::size_t"""
15765 return _IMP_core.FilterProvenance___hash__(self)
15768 r"""__str__(FilterProvenance self) -> std::string"""
15769 return _IMP_core.FilterProvenance___str__(self)
15771 def __repr__(self):
15772 r"""__repr__(FilterProvenance self) -> std::string"""
15773 return _IMP_core.FilterProvenance___repr__(self)
15775 def _get_as_binary(self):
15776 r"""_get_as_binary(FilterProvenance self) -> PyObject *"""
15777 return _IMP_core.FilterProvenance__get_as_binary(self)
15779 def _set_from_binary(self, p):
15780 r"""_set_from_binary(FilterProvenance self, PyObject * p)"""
15781 return _IMP_core.FilterProvenance__set_from_binary(self, p)
15783 def __getstate__(self):
15784 p = self._get_as_binary()
15785 if len(self.__dict__) > 1:
15786 d = self.__dict__.copy()
15791 def __setstate__(self, p):
15792 if not hasattr(self,
'this'):
15794 if isinstance(p, tuple):
15796 self.__dict__.update(d)
15797 return self._set_from_binary(p)
15799 __swig_destroy__ = _IMP_core.delete_FilterProvenance
15802 _IMP_core.FilterProvenance_swigregister(FilterProvenance)
15803 class ClusterProvenance(Provenance):
15804 r"""Proxy of C++ IMP::core::ClusterProvenance class."""
15806 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15808 def set_number_of_members(self, members):
15809 r"""set_number_of_members(ClusterProvenance self, int members)"""
15810 return _IMP_core.ClusterProvenance_set_number_of_members(self, members)
15812 def get_number_of_members(self):
15813 r"""get_number_of_members(ClusterProvenance self) -> int"""
15814 return _IMP_core.ClusterProvenance_get_number_of_members(self)
15816 def set_precision(self, precision):
15817 r"""set_precision(ClusterProvenance self, double precision)"""
15818 return _IMP_core.ClusterProvenance_set_precision(self, precision)
15820 def get_precision(self):
15821 r"""get_precision(ClusterProvenance self) -> double"""
15822 return _IMP_core.ClusterProvenance_get_precision(self)
15824 def set_density(self, density):
15825 r"""set_density(ClusterProvenance self, std::string density)"""
15826 return _IMP_core.ClusterProvenance_set_density(self, density)
15828 def get_density(self):
15829 r"""get_density(ClusterProvenance self) -> std::string"""
15830 return _IMP_core.ClusterProvenance_get_density(self)
15832 def __init__(self, *args):
15834 __init__(ClusterProvenance self) -> ClusterProvenance
15835 __init__(ClusterProvenance self, Model m, ParticleIndex id) -> ClusterProvenance
15836 __init__(ClusterProvenance self, _ParticleAdaptor d) -> ClusterProvenance
15838 _IMP_core.ClusterProvenance_swiginit(self, _IMP_core.new_ClusterProvenance(*args))
15841 def get_is_setup(*args):
15843 get_is_setup(Model m, ParticleIndex pi) -> bool
15844 get_is_setup(_ParticleAdaptor p) -> bool
15846 return _IMP_core.ClusterProvenance_get_is_setup(*args)
15848 def show(self, *args):
15849 r"""show(ClusterProvenance self, _ostream out=std::cout)"""
15850 return _IMP_core.ClusterProvenance_show(self, *args)
15853 def setup_particle(*args):
15855 setup_particle(Model m, ParticleIndex pi, int members) -> ClusterProvenance
15856 setup_particle(_ParticleAdaptor pa, int members) -> ClusterProvenance
15857 setup_particle(Model m, ParticleIndex pi, int members, double precision) -> ClusterProvenance
15858 setup_particle(_ParticleAdaptor pa, int members, double precision) -> ClusterProvenance
15859 setup_particle(Model m, ParticleIndex pi, int members, double precision, std::string density) -> ClusterProvenance
15860 setup_particle(_ParticleAdaptor pa, int members, double precision, std::string density) -> ClusterProvenance
15861 setup_particle(Model m, ParticleIndex pi, ClusterProvenance o) -> ClusterProvenance
15862 setup_particle(_ParticleAdaptor pa, ClusterProvenance o) -> ClusterProvenance
15864 return _IMP_core.ClusterProvenance_setup_particle(*args)
15866 def add_attribute(self, *args):
15868 add_attribute(ClusterProvenance self, FloatKey k, IMP::Float v, bool opt)
15869 add_attribute(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15870 add_attribute(ClusterProvenance self, IntKey a0, IMP::Int a1)
15871 add_attribute(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15872 add_attribute(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15873 add_attribute(ClusterProvenance self, StringKey a0, IMP::String a1)
15874 add_attribute(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15875 add_attribute(ClusterProvenance self, ObjectKey a0, Object a1)
15876 add_attribute(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15877 add_attribute(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15878 add_attribute(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15879 add_attribute(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15881 return _IMP_core.ClusterProvenance_add_attribute(self, *args)
15883 def get_value(self, *args):
15885 get_value(ClusterProvenance self, FloatKey a0) -> IMP::Float
15886 get_value(ClusterProvenance self, IntKey a0) -> IMP::Int
15887 get_value(ClusterProvenance self, FloatsKey a0) -> IMP::Floats
15888 get_value(ClusterProvenance self, IntsKey a0) -> IMP::Ints
15889 get_value(ClusterProvenance self, StringKey a0) -> IMP::String
15890 get_value(ClusterProvenance self, ParticleIndexKey a0) -> Particle
15891 get_value(ClusterProvenance self, ObjectKey a0) -> Object
15892 get_value(ClusterProvenance self, SparseFloatKey a0) -> IMP::Float
15893 get_value(ClusterProvenance self, SparseIntKey a0) -> IMP::Int
15894 get_value(ClusterProvenance self, SparseStringKey a0) -> IMP::String
15895 get_value(ClusterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15897 return _IMP_core.ClusterProvenance_get_value(self, *args)
15899 def set_value(self, *args):
15901 set_value(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15902 set_value(ClusterProvenance self, IntKey a0, IMP::Int a1)
15903 set_value(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15904 set_value(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15905 set_value(ClusterProvenance self, StringKey a0, IMP::String a1)
15906 set_value(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15907 set_value(ClusterProvenance self, ObjectKey a0, Object a1)
15908 set_value(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15909 set_value(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15910 set_value(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15911 set_value(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15913 return _IMP_core.ClusterProvenance_set_value(self, *args)
15915 def remove_attribute(self, *args):
15917 remove_attribute(ClusterProvenance self, FloatKey a0)
15918 remove_attribute(ClusterProvenance self, IntKey a0)
15919 remove_attribute(ClusterProvenance self, FloatsKey a0)
15920 remove_attribute(ClusterProvenance self, IntsKey a0)
15921 remove_attribute(ClusterProvenance self, StringKey a0)
15922 remove_attribute(ClusterProvenance self, ParticleIndexKey a0)
15923 remove_attribute(ClusterProvenance self, ObjectKey a0)
15924 remove_attribute(ClusterProvenance self, SparseFloatKey a0)
15925 remove_attribute(ClusterProvenance self, SparseIntKey a0)
15926 remove_attribute(ClusterProvenance self, SparseStringKey a0)
15927 remove_attribute(ClusterProvenance self, SparseParticleIndexKey a0)
15929 return _IMP_core.ClusterProvenance_remove_attribute(self, *args)
15931 def has_attribute(self, *args):
15933 has_attribute(ClusterProvenance self, FloatKey a0) -> bool
15934 has_attribute(ClusterProvenance self, IntKey a0) -> bool
15935 has_attribute(ClusterProvenance self, FloatsKey a0) -> bool
15936 has_attribute(ClusterProvenance self, IntsKey a0) -> bool
15937 has_attribute(ClusterProvenance self, StringKey a0) -> bool
15938 has_attribute(ClusterProvenance self, ParticleIndexKey a0) -> bool
15939 has_attribute(ClusterProvenance self, ObjectKey a0) -> bool
15940 has_attribute(ClusterProvenance self, SparseFloatKey a0) -> bool
15941 has_attribute(ClusterProvenance self, SparseIntKey a0) -> bool
15942 has_attribute(ClusterProvenance self, SparseStringKey a0) -> bool
15943 has_attribute(ClusterProvenance self, SparseParticleIndexKey a0) -> bool
15945 return _IMP_core.ClusterProvenance_has_attribute(self, *args)
15947 def get_derivative(self, a0):
15948 r"""get_derivative(ClusterProvenance self, FloatKey a0) -> double"""
15949 return _IMP_core.ClusterProvenance_get_derivative(self, a0)
15951 def get_name(self):
15952 r"""get_name(ClusterProvenance self) -> std::string"""
15953 return _IMP_core.ClusterProvenance_get_name(self)
15955 def clear_caches(self):
15956 r"""clear_caches(ClusterProvenance self)"""
15957 return _IMP_core.ClusterProvenance_clear_caches(self)
15959 def set_name(self, a0):
15960 r"""set_name(ClusterProvenance self, std::string a0)"""
15961 return _IMP_core.ClusterProvenance_set_name(self, a0)
15964 r"""set_check_level(ClusterProvenance self, IMP::CheckLevel a0)"""
15965 return _IMP_core.ClusterProvenance_set_check_level(self, a0)
15967 def add_to_derivative(self, a0, a1, a2):
15968 r"""add_to_derivative(ClusterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15969 return _IMP_core.ClusterProvenance_add_to_derivative(self, a0, a1, a2)
15971 def set_is_optimized(self, a0, a1):
15972 r"""set_is_optimized(ClusterProvenance self, FloatKey a0, bool a1)"""
15973 return _IMP_core.ClusterProvenance_set_is_optimized(self, a0, a1)
15975 def get_is_optimized(self, a0):
15976 r"""get_is_optimized(ClusterProvenance self, FloatKey a0) -> bool"""
15977 return _IMP_core.ClusterProvenance_get_is_optimized(self, a0)
15980 r"""get_check_level(ClusterProvenance self) -> IMP::CheckLevel"""
15981 return _IMP_core.ClusterProvenance_get_check_level(self)
15983 def __eq__(self, *args):
15985 __eq__(ClusterProvenance self, ClusterProvenance o) -> bool
15986 __eq__(ClusterProvenance self, Particle d) -> bool
15988 return _IMP_core.ClusterProvenance___eq__(self, *args)
15990 def __ne__(self, *args):
15992 __ne__(ClusterProvenance self, ClusterProvenance o) -> bool
15993 __ne__(ClusterProvenance self, Particle d) -> bool
15995 return _IMP_core.ClusterProvenance___ne__(self, *args)
15997 def __le__(self, *args):
15999 __le__(ClusterProvenance self, ClusterProvenance o) -> bool
16000 __le__(ClusterProvenance self, Particle d) -> bool
16002 return _IMP_core.ClusterProvenance___le__(self, *args)
16004 def __lt__(self, *args):
16006 __lt__(ClusterProvenance self, ClusterProvenance o) -> bool
16007 __lt__(ClusterProvenance self, Particle d) -> bool
16009 return _IMP_core.ClusterProvenance___lt__(self, *args)
16011 def __ge__(self, *args):
16013 __ge__(ClusterProvenance self, ClusterProvenance o) -> bool
16014 __ge__(ClusterProvenance self, Particle d) -> bool
16016 return _IMP_core.ClusterProvenance___ge__(self, *args)
16018 def __gt__(self, *args):
16020 __gt__(ClusterProvenance self, ClusterProvenance o) -> bool
16021 __gt__(ClusterProvenance self, Particle d) -> bool
16023 return _IMP_core.ClusterProvenance___gt__(self, *args)
16025 def __hash__(self):
16026 r"""__hash__(ClusterProvenance self) -> std::size_t"""
16027 return _IMP_core.ClusterProvenance___hash__(self)
16030 r"""__str__(ClusterProvenance self) -> std::string"""
16031 return _IMP_core.ClusterProvenance___str__(self)
16033 def __repr__(self):
16034 r"""__repr__(ClusterProvenance self) -> std::string"""
16035 return _IMP_core.ClusterProvenance___repr__(self)
16037 def _get_as_binary(self):
16038 r"""_get_as_binary(ClusterProvenance self) -> PyObject *"""
16039 return _IMP_core.ClusterProvenance__get_as_binary(self)
16041 def _set_from_binary(self, p):
16042 r"""_set_from_binary(ClusterProvenance self, PyObject * p)"""
16043 return _IMP_core.ClusterProvenance__set_from_binary(self, p)
16045 def __getstate__(self):
16046 p = self._get_as_binary()
16047 if len(self.__dict__) > 1:
16048 d = self.__dict__.copy()
16053 def __setstate__(self, p):
16054 if not hasattr(self,
'this'):
16056 if isinstance(p, tuple):
16058 self.__dict__.update(d)
16059 return self._set_from_binary(p)
16061 __swig_destroy__ = _IMP_core.delete_ClusterProvenance
16064 _IMP_core.ClusterProvenance_swigregister(ClusterProvenance)
16065 class ScriptProvenance(Provenance):
16066 r"""Proxy of C++ IMP::core::ScriptProvenance class."""
16068 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16070 def set_filename(self, filename):
16071 r"""set_filename(ScriptProvenance self, std::string filename)"""
16072 return _IMP_core.ScriptProvenance_set_filename(self, filename)
16074 def get_filename(self):
16075 r"""get_filename(ScriptProvenance self) -> std::string"""
16076 return _IMP_core.ScriptProvenance_get_filename(self)
16078 def __init__(self, *args):
16080 __init__(ScriptProvenance self) -> ScriptProvenance
16081 __init__(ScriptProvenance self, Model m, ParticleIndex id) -> ScriptProvenance
16082 __init__(ScriptProvenance self, _ParticleAdaptor d) -> ScriptProvenance
16084 _IMP_core.ScriptProvenance_swiginit(self, _IMP_core.new_ScriptProvenance(*args))
16087 def get_is_setup(*args):
16089 get_is_setup(Model m, ParticleIndex pi) -> bool
16090 get_is_setup(_ParticleAdaptor p) -> bool
16092 return _IMP_core.ScriptProvenance_get_is_setup(*args)
16094 def show(self, *args):
16095 r"""show(ScriptProvenance self, _ostream out=std::cout)"""
16096 return _IMP_core.ScriptProvenance_show(self, *args)
16099 def setup_particle(*args):
16101 setup_particle(Model m, ParticleIndex pi, std::string filename) -> ScriptProvenance
16102 setup_particle(_ParticleAdaptor pa, std::string filename) -> ScriptProvenance
16103 setup_particle(Model m, ParticleIndex pi, ScriptProvenance o) -> ScriptProvenance
16104 setup_particle(_ParticleAdaptor pa, ScriptProvenance o) -> ScriptProvenance
16106 return _IMP_core.ScriptProvenance_setup_particle(*args)
16108 def add_attribute(self, *args):
16110 add_attribute(ScriptProvenance self, FloatKey k, IMP::Float v, bool opt)
16111 add_attribute(ScriptProvenance self, FloatKey a0, IMP::Float a1)
16112 add_attribute(ScriptProvenance self, IntKey a0, IMP::Int a1)
16113 add_attribute(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
16114 add_attribute(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
16115 add_attribute(ScriptProvenance self, StringKey a0, IMP::String a1)
16116 add_attribute(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
16117 add_attribute(ScriptProvenance self, ObjectKey a0, Object a1)
16118 add_attribute(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
16119 add_attribute(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
16120 add_attribute(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
16121 add_attribute(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16123 return _IMP_core.ScriptProvenance_add_attribute(self, *args)
16125 def get_value(self, *args):
16127 get_value(ScriptProvenance self, FloatKey a0) -> IMP::Float
16128 get_value(ScriptProvenance self, IntKey a0) -> IMP::Int
16129 get_value(ScriptProvenance self, FloatsKey a0) -> IMP::Floats
16130 get_value(ScriptProvenance self, IntsKey a0) -> IMP::Ints
16131 get_value(ScriptProvenance self, StringKey a0) -> IMP::String
16132 get_value(ScriptProvenance self, ParticleIndexKey a0) -> Particle
16133 get_value(ScriptProvenance self, ObjectKey a0) -> Object
16134 get_value(ScriptProvenance self, SparseFloatKey a0) -> IMP::Float
16135 get_value(ScriptProvenance self, SparseIntKey a0) -> IMP::Int
16136 get_value(ScriptProvenance self, SparseStringKey a0) -> IMP::String
16137 get_value(ScriptProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
16139 return _IMP_core.ScriptProvenance_get_value(self, *args)
16141 def set_value(self, *args):
16143 set_value(ScriptProvenance self, FloatKey a0, IMP::Float a1)
16144 set_value(ScriptProvenance self, IntKey a0, IMP::Int a1)
16145 set_value(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
16146 set_value(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
16147 set_value(ScriptProvenance self, StringKey a0, IMP::String a1)
16148 set_value(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
16149 set_value(ScriptProvenance self, ObjectKey a0, Object a1)
16150 set_value(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
16151 set_value(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
16152 set_value(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
16153 set_value(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16155 return _IMP_core.ScriptProvenance_set_value(self, *args)
16157 def remove_attribute(self, *args):
16159 remove_attribute(ScriptProvenance self, FloatKey a0)
16160 remove_attribute(ScriptProvenance self, IntKey a0)
16161 remove_attribute(ScriptProvenance self, FloatsKey a0)
16162 remove_attribute(ScriptProvenance self, IntsKey a0)
16163 remove_attribute(ScriptProvenance self, StringKey a0)
16164 remove_attribute(ScriptProvenance self, ParticleIndexKey a0)
16165 remove_attribute(ScriptProvenance self, ObjectKey a0)
16166 remove_attribute(ScriptProvenance self, SparseFloatKey a0)
16167 remove_attribute(ScriptProvenance self, SparseIntKey a0)
16168 remove_attribute(ScriptProvenance self, SparseStringKey a0)
16169 remove_attribute(ScriptProvenance self, SparseParticleIndexKey a0)
16171 return _IMP_core.ScriptProvenance_remove_attribute(self, *args)
16173 def has_attribute(self, *args):
16175 has_attribute(ScriptProvenance self, FloatKey a0) -> bool
16176 has_attribute(ScriptProvenance self, IntKey a0) -> bool
16177 has_attribute(ScriptProvenance self, FloatsKey a0) -> bool
16178 has_attribute(ScriptProvenance self, IntsKey a0) -> bool
16179 has_attribute(ScriptProvenance self, StringKey a0) -> bool
16180 has_attribute(ScriptProvenance self, ParticleIndexKey a0) -> bool
16181 has_attribute(ScriptProvenance self, ObjectKey a0) -> bool
16182 has_attribute(ScriptProvenance self, SparseFloatKey a0) -> bool
16183 has_attribute(ScriptProvenance self, SparseIntKey a0) -> bool
16184 has_attribute(ScriptProvenance self, SparseStringKey a0) -> bool
16185 has_attribute(ScriptProvenance self, SparseParticleIndexKey a0) -> bool
16187 return _IMP_core.ScriptProvenance_has_attribute(self, *args)
16189 def get_derivative(self, a0):
16190 r"""get_derivative(ScriptProvenance self, FloatKey a0) -> double"""
16191 return _IMP_core.ScriptProvenance_get_derivative(self, a0)
16193 def get_name(self):
16194 r"""get_name(ScriptProvenance self) -> std::string"""
16195 return _IMP_core.ScriptProvenance_get_name(self)
16197 def clear_caches(self):
16198 r"""clear_caches(ScriptProvenance self)"""
16199 return _IMP_core.ScriptProvenance_clear_caches(self)
16201 def set_name(self, a0):
16202 r"""set_name(ScriptProvenance self, std::string a0)"""
16203 return _IMP_core.ScriptProvenance_set_name(self, a0)
16206 r"""set_check_level(ScriptProvenance self, IMP::CheckLevel a0)"""
16207 return _IMP_core.ScriptProvenance_set_check_level(self, a0)
16209 def add_to_derivative(self, a0, a1, a2):
16210 r"""add_to_derivative(ScriptProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16211 return _IMP_core.ScriptProvenance_add_to_derivative(self, a0, a1, a2)
16213 def set_is_optimized(self, a0, a1):
16214 r"""set_is_optimized(ScriptProvenance self, FloatKey a0, bool a1)"""
16215 return _IMP_core.ScriptProvenance_set_is_optimized(self, a0, a1)
16217 def get_is_optimized(self, a0):
16218 r"""get_is_optimized(ScriptProvenance self, FloatKey a0) -> bool"""
16219 return _IMP_core.ScriptProvenance_get_is_optimized(self, a0)
16222 r"""get_check_level(ScriptProvenance self) -> IMP::CheckLevel"""
16223 return _IMP_core.ScriptProvenance_get_check_level(self)
16225 def __eq__(self, *args):
16227 __eq__(ScriptProvenance self, ScriptProvenance o) -> bool
16228 __eq__(ScriptProvenance self, Particle d) -> bool
16230 return _IMP_core.ScriptProvenance___eq__(self, *args)
16232 def __ne__(self, *args):
16234 __ne__(ScriptProvenance self, ScriptProvenance o) -> bool
16235 __ne__(ScriptProvenance self, Particle d) -> bool
16237 return _IMP_core.ScriptProvenance___ne__(self, *args)
16239 def __le__(self, *args):
16241 __le__(ScriptProvenance self, ScriptProvenance o) -> bool
16242 __le__(ScriptProvenance self, Particle d) -> bool
16244 return _IMP_core.ScriptProvenance___le__(self, *args)
16246 def __lt__(self, *args):
16248 __lt__(ScriptProvenance self, ScriptProvenance o) -> bool
16249 __lt__(ScriptProvenance self, Particle d) -> bool
16251 return _IMP_core.ScriptProvenance___lt__(self, *args)
16253 def __ge__(self, *args):
16255 __ge__(ScriptProvenance self, ScriptProvenance o) -> bool
16256 __ge__(ScriptProvenance self, Particle d) -> bool
16258 return _IMP_core.ScriptProvenance___ge__(self, *args)
16260 def __gt__(self, *args):
16262 __gt__(ScriptProvenance self, ScriptProvenance o) -> bool
16263 __gt__(ScriptProvenance self, Particle d) -> bool
16265 return _IMP_core.ScriptProvenance___gt__(self, *args)
16267 def __hash__(self):
16268 r"""__hash__(ScriptProvenance self) -> std::size_t"""
16269 return _IMP_core.ScriptProvenance___hash__(self)
16272 r"""__str__(ScriptProvenance self) -> std::string"""
16273 return _IMP_core.ScriptProvenance___str__(self)
16275 def __repr__(self):
16276 r"""__repr__(ScriptProvenance self) -> std::string"""
16277 return _IMP_core.ScriptProvenance___repr__(self)
16279 def _get_as_binary(self):
16280 r"""_get_as_binary(ScriptProvenance self) -> PyObject *"""
16281 return _IMP_core.ScriptProvenance__get_as_binary(self)
16283 def _set_from_binary(self, p):
16284 r"""_set_from_binary(ScriptProvenance self, PyObject * p)"""
16285 return _IMP_core.ScriptProvenance__set_from_binary(self, p)
16287 def __getstate__(self):
16288 p = self._get_as_binary()
16289 if len(self.__dict__) > 1:
16290 d = self.__dict__.copy()
16295 def __setstate__(self, p):
16296 if not hasattr(self,
'this'):
16298 if isinstance(p, tuple):
16300 self.__dict__.update(d)
16301 return self._set_from_binary(p)
16303 __swig_destroy__ = _IMP_core.delete_ScriptProvenance
16306 _IMP_core.ScriptProvenance_swigregister(ScriptProvenance)
16307 class SoftwareProvenance(Provenance):
16308 r"""Proxy of C++ IMP::core::SoftwareProvenance class."""
16310 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16312 def set_software_name(self, name):
16313 r"""set_software_name(SoftwareProvenance self, std::string name)"""
16314 return _IMP_core.SoftwareProvenance_set_software_name(self, name)
16316 def get_software_name(self):
16317 r"""get_software_name(SoftwareProvenance self) -> std::string"""
16318 return _IMP_core.SoftwareProvenance_get_software_name(self)
16320 def set_version(self, version):
16321 r"""set_version(SoftwareProvenance self, std::string version)"""
16322 return _IMP_core.SoftwareProvenance_set_version(self, version)
16324 def get_version(self):
16325 r"""get_version(SoftwareProvenance self) -> std::string"""
16326 return _IMP_core.SoftwareProvenance_get_version(self)
16328 def set_location(self, location):
16329 r"""set_location(SoftwareProvenance self, std::string location)"""
16330 return _IMP_core.SoftwareProvenance_set_location(self, location)
16332 def get_location(self):
16333 r"""get_location(SoftwareProvenance self) -> std::string"""
16334 return _IMP_core.SoftwareProvenance_get_location(self)
16336 def __init__(self, *args):
16338 __init__(SoftwareProvenance self) -> SoftwareProvenance
16339 __init__(SoftwareProvenance self, Model m, ParticleIndex id) -> SoftwareProvenance
16340 __init__(SoftwareProvenance self, _ParticleAdaptor d) -> SoftwareProvenance
16342 _IMP_core.SoftwareProvenance_swiginit(self, _IMP_core.new_SoftwareProvenance(*args))
16345 def get_is_setup(*args):
16347 get_is_setup(Model m, ParticleIndex pi) -> bool
16348 get_is_setup(_ParticleAdaptor p) -> bool
16350 return _IMP_core.SoftwareProvenance_get_is_setup(*args)
16352 def show(self, *args):
16353 r"""show(SoftwareProvenance self, _ostream out=std::cout)"""
16354 return _IMP_core.SoftwareProvenance_show(self, *args)
16357 def setup_particle(*args):
16359 setup_particle(Model m, ParticleIndex pi, std::string name, std::string version, std::string location) -> SoftwareProvenance
16360 setup_particle(_ParticleAdaptor pa, std::string name, std::string version, std::string location) -> SoftwareProvenance
16361 setup_particle(Model m, ParticleIndex pi, SoftwareProvenance o) -> SoftwareProvenance
16362 setup_particle(_ParticleAdaptor pa, SoftwareProvenance o) -> SoftwareProvenance
16364 return _IMP_core.SoftwareProvenance_setup_particle(*args)
16366 def add_attribute(self, *args):
16368 add_attribute(SoftwareProvenance self, FloatKey k, IMP::Float v, bool opt)
16369 add_attribute(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
16370 add_attribute(SoftwareProvenance self, IntKey a0, IMP::Int a1)
16371 add_attribute(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
16372 add_attribute(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
16373 add_attribute(SoftwareProvenance self, StringKey a0, IMP::String a1)
16374 add_attribute(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
16375 add_attribute(SoftwareProvenance self, ObjectKey a0, Object a1)
16376 add_attribute(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
16377 add_attribute(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
16378 add_attribute(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
16379 add_attribute(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16381 return _IMP_core.SoftwareProvenance_add_attribute(self, *args)
16383 def get_value(self, *args):
16385 get_value(SoftwareProvenance self, FloatKey a0) -> IMP::Float
16386 get_value(SoftwareProvenance self, IntKey a0) -> IMP::Int
16387 get_value(SoftwareProvenance self, FloatsKey a0) -> IMP::Floats
16388 get_value(SoftwareProvenance self, IntsKey a0) -> IMP::Ints
16389 get_value(SoftwareProvenance self, StringKey a0) -> IMP::String
16390 get_value(SoftwareProvenance self, ParticleIndexKey a0) -> Particle
16391 get_value(SoftwareProvenance self, ObjectKey a0) -> Object
16392 get_value(SoftwareProvenance self, SparseFloatKey a0) -> IMP::Float
16393 get_value(SoftwareProvenance self, SparseIntKey a0) -> IMP::Int
16394 get_value(SoftwareProvenance self, SparseStringKey a0) -> IMP::String
16395 get_value(SoftwareProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
16397 return _IMP_core.SoftwareProvenance_get_value(self, *args)
16399 def set_value(self, *args):
16401 set_value(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
16402 set_value(SoftwareProvenance self, IntKey a0, IMP::Int a1)
16403 set_value(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
16404 set_value(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
16405 set_value(SoftwareProvenance self, StringKey a0, IMP::String a1)
16406 set_value(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
16407 set_value(SoftwareProvenance self, ObjectKey a0, Object a1)
16408 set_value(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
16409 set_value(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
16410 set_value(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
16411 set_value(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16413 return _IMP_core.SoftwareProvenance_set_value(self, *args)
16415 def remove_attribute(self, *args):
16417 remove_attribute(SoftwareProvenance self, FloatKey a0)
16418 remove_attribute(SoftwareProvenance self, IntKey a0)
16419 remove_attribute(SoftwareProvenance self, FloatsKey a0)
16420 remove_attribute(SoftwareProvenance self, IntsKey a0)
16421 remove_attribute(SoftwareProvenance self, StringKey a0)
16422 remove_attribute(SoftwareProvenance self, ParticleIndexKey a0)
16423 remove_attribute(SoftwareProvenance self, ObjectKey a0)
16424 remove_attribute(SoftwareProvenance self, SparseFloatKey a0)
16425 remove_attribute(SoftwareProvenance self, SparseIntKey a0)
16426 remove_attribute(SoftwareProvenance self, SparseStringKey a0)
16427 remove_attribute(SoftwareProvenance self, SparseParticleIndexKey a0)
16429 return _IMP_core.SoftwareProvenance_remove_attribute(self, *args)
16431 def has_attribute(self, *args):
16433 has_attribute(SoftwareProvenance self, FloatKey a0) -> bool
16434 has_attribute(SoftwareProvenance self, IntKey a0) -> bool
16435 has_attribute(SoftwareProvenance self, FloatsKey a0) -> bool
16436 has_attribute(SoftwareProvenance self, IntsKey a0) -> bool
16437 has_attribute(SoftwareProvenance self, StringKey a0) -> bool
16438 has_attribute(SoftwareProvenance self, ParticleIndexKey a0) -> bool
16439 has_attribute(SoftwareProvenance self, ObjectKey a0) -> bool
16440 has_attribute(SoftwareProvenance self, SparseFloatKey a0) -> bool
16441 has_attribute(SoftwareProvenance self, SparseIntKey a0) -> bool
16442 has_attribute(SoftwareProvenance self, SparseStringKey a0) -> bool
16443 has_attribute(SoftwareProvenance self, SparseParticleIndexKey a0) -> bool
16445 return _IMP_core.SoftwareProvenance_has_attribute(self, *args)
16447 def get_derivative(self, a0):
16448 r"""get_derivative(SoftwareProvenance self, FloatKey a0) -> double"""
16449 return _IMP_core.SoftwareProvenance_get_derivative(self, a0)
16451 def get_name(self):
16452 r"""get_name(SoftwareProvenance self) -> std::string"""
16453 return _IMP_core.SoftwareProvenance_get_name(self)
16455 def clear_caches(self):
16456 r"""clear_caches(SoftwareProvenance self)"""
16457 return _IMP_core.SoftwareProvenance_clear_caches(self)
16459 def set_name(self, a0):
16460 r"""set_name(SoftwareProvenance self, std::string a0)"""
16461 return _IMP_core.SoftwareProvenance_set_name(self, a0)
16464 r"""set_check_level(SoftwareProvenance self, IMP::CheckLevel a0)"""
16465 return _IMP_core.SoftwareProvenance_set_check_level(self, a0)
16467 def add_to_derivative(self, a0, a1, a2):
16468 r"""add_to_derivative(SoftwareProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16469 return _IMP_core.SoftwareProvenance_add_to_derivative(self, a0, a1, a2)
16471 def set_is_optimized(self, a0, a1):
16472 r"""set_is_optimized(SoftwareProvenance self, FloatKey a0, bool a1)"""
16473 return _IMP_core.SoftwareProvenance_set_is_optimized(self, a0, a1)
16475 def get_is_optimized(self, a0):
16476 r"""get_is_optimized(SoftwareProvenance self, FloatKey a0) -> bool"""
16477 return _IMP_core.SoftwareProvenance_get_is_optimized(self, a0)
16480 r"""get_check_level(SoftwareProvenance self) -> IMP::CheckLevel"""
16481 return _IMP_core.SoftwareProvenance_get_check_level(self)
16483 def __eq__(self, *args):
16485 __eq__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16486 __eq__(SoftwareProvenance self, Particle d) -> bool
16488 return _IMP_core.SoftwareProvenance___eq__(self, *args)
16490 def __ne__(self, *args):
16492 __ne__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16493 __ne__(SoftwareProvenance self, Particle d) -> bool
16495 return _IMP_core.SoftwareProvenance___ne__(self, *args)
16497 def __le__(self, *args):
16499 __le__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16500 __le__(SoftwareProvenance self, Particle d) -> bool
16502 return _IMP_core.SoftwareProvenance___le__(self, *args)
16504 def __lt__(self, *args):
16506 __lt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16507 __lt__(SoftwareProvenance self, Particle d) -> bool
16509 return _IMP_core.SoftwareProvenance___lt__(self, *args)
16511 def __ge__(self, *args):
16513 __ge__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16514 __ge__(SoftwareProvenance self, Particle d) -> bool
16516 return _IMP_core.SoftwareProvenance___ge__(self, *args)
16518 def __gt__(self, *args):
16520 __gt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16521 __gt__(SoftwareProvenance self, Particle d) -> bool
16523 return _IMP_core.SoftwareProvenance___gt__(self, *args)
16525 def __hash__(self):
16526 r"""__hash__(SoftwareProvenance self) -> std::size_t"""
16527 return _IMP_core.SoftwareProvenance___hash__(self)
16530 r"""__str__(SoftwareProvenance self) -> std::string"""
16531 return _IMP_core.SoftwareProvenance___str__(self)
16533 def __repr__(self):
16534 r"""__repr__(SoftwareProvenance self) -> std::string"""
16535 return _IMP_core.SoftwareProvenance___repr__(self)
16537 def _get_as_binary(self):
16538 r"""_get_as_binary(SoftwareProvenance self) -> PyObject *"""
16539 return _IMP_core.SoftwareProvenance__get_as_binary(self)
16541 def _set_from_binary(self, p):
16542 r"""_set_from_binary(SoftwareProvenance self, PyObject * p)"""
16543 return _IMP_core.SoftwareProvenance__set_from_binary(self, p)
16545 def __getstate__(self):
16546 p = self._get_as_binary()
16547 if len(self.__dict__) > 1:
16548 d = self.__dict__.copy()
16553 def __setstate__(self, p):
16554 if not hasattr(self,
'this'):
16556 if isinstance(p, tuple):
16558 self.__dict__.update(d)
16559 return self._set_from_binary(p)
16561 __swig_destroy__ = _IMP_core.delete_SoftwareProvenance
16564 _IMP_core.SoftwareProvenance_swigregister(SoftwareProvenance)
16566 r"""Proxy of C++ IMP::core::Provenanced class."""
16568 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16570 def get_provenance(self):
16571 r"""get_provenance(Provenanced self) -> Provenance"""
16572 return _IMP_core.Provenanced_get_provenance(self)
16574 def set_provenance(self, p):
16575 r"""set_provenance(Provenanced self, Provenance p)"""
16576 return _IMP_core.Provenanced_set_provenance(self, p)
16578 def __init__(self, *args):
16580 __init__(Provenanced self) -> Provenanced
16581 __init__(Provenanced self, Model m, ParticleIndex id) -> Provenanced
16582 __init__(Provenanced self, _ParticleAdaptor d) -> Provenanced
16584 _IMP_core.Provenanced_swiginit(self, _IMP_core.new_Provenanced(*args))
16587 def get_is_setup(*args):
16589 get_is_setup(Model m, ParticleIndex pi) -> bool
16590 get_is_setup(_ParticleAdaptor p) -> bool
16592 return _IMP_core.Provenanced_get_is_setup(*args)
16594 def show(self, *args):
16595 r"""show(Provenanced self, _ostream out=std::cout)"""
16596 return _IMP_core.Provenanced_show(self, *args)
16599 def setup_particle(*args):
16601 setup_particle(Model m, ParticleIndex pi, Provenance p) -> Provenanced
16602 setup_particle(_ParticleAdaptor pa, Provenance p) -> Provenanced
16604 return _IMP_core.Provenanced_setup_particle(*args)
16606 def add_attribute(self, *args):
16608 add_attribute(Provenanced self, FloatKey k, IMP::Float v, bool opt)
16609 add_attribute(Provenanced self, FloatKey a0, IMP::Float a1)
16610 add_attribute(Provenanced self, IntKey a0, IMP::Int a1)
16611 add_attribute(Provenanced self, FloatsKey a0, IMP::Floats a1)
16612 add_attribute(Provenanced self, IntsKey a0, IMP::Ints a1)
16613 add_attribute(Provenanced self, StringKey a0, IMP::String a1)
16614 add_attribute(Provenanced self, ParticleIndexKey a0, Particle a1)
16615 add_attribute(Provenanced self, ObjectKey a0, Object a1)
16616 add_attribute(Provenanced self, SparseFloatKey a0, IMP::Float a1)
16617 add_attribute(Provenanced self, SparseIntKey a0, IMP::Int a1)
16618 add_attribute(Provenanced self, SparseStringKey a0, IMP::String a1)
16619 add_attribute(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
16621 return _IMP_core.Provenanced_add_attribute(self, *args)
16623 def get_value(self, *args):
16625 get_value(Provenanced self, FloatKey a0) -> IMP::Float
16626 get_value(Provenanced self, IntKey a0) -> IMP::Int
16627 get_value(Provenanced self, FloatsKey a0) -> IMP::Floats
16628 get_value(Provenanced self, IntsKey a0) -> IMP::Ints
16629 get_value(Provenanced self, StringKey a0) -> IMP::String
16630 get_value(Provenanced self, ParticleIndexKey a0) -> Particle
16631 get_value(Provenanced self, ObjectKey a0) -> Object
16632 get_value(Provenanced self, SparseFloatKey a0) -> IMP::Float
16633 get_value(Provenanced self, SparseIntKey a0) -> IMP::Int
16634 get_value(Provenanced self, SparseStringKey a0) -> IMP::String
16635 get_value(Provenanced self, SparseParticleIndexKey a0) -> ParticleIndex
16637 return _IMP_core.Provenanced_get_value(self, *args)
16639 def set_value(self, *args):
16641 set_value(Provenanced self, FloatKey a0, IMP::Float a1)
16642 set_value(Provenanced self, IntKey a0, IMP::Int a1)
16643 set_value(Provenanced self, FloatsKey a0, IMP::Floats a1)
16644 set_value(Provenanced self, IntsKey a0, IMP::Ints a1)
16645 set_value(Provenanced self, StringKey a0, IMP::String a1)
16646 set_value(Provenanced self, ParticleIndexKey a0, Particle a1)
16647 set_value(Provenanced self, ObjectKey a0, Object a1)
16648 set_value(Provenanced self, SparseFloatKey a0, IMP::Float a1)
16649 set_value(Provenanced self, SparseIntKey a0, IMP::Int a1)
16650 set_value(Provenanced self, SparseStringKey a0, IMP::String a1)
16651 set_value(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
16653 return _IMP_core.Provenanced_set_value(self, *args)
16655 def remove_attribute(self, *args):
16657 remove_attribute(Provenanced self, FloatKey a0)
16658 remove_attribute(Provenanced self, IntKey a0)
16659 remove_attribute(Provenanced self, FloatsKey a0)
16660 remove_attribute(Provenanced self, IntsKey a0)
16661 remove_attribute(Provenanced self, StringKey a0)
16662 remove_attribute(Provenanced self, ParticleIndexKey a0)
16663 remove_attribute(Provenanced self, ObjectKey a0)
16664 remove_attribute(Provenanced self, SparseFloatKey a0)
16665 remove_attribute(Provenanced self, SparseIntKey a0)
16666 remove_attribute(Provenanced self, SparseStringKey a0)
16667 remove_attribute(Provenanced self, SparseParticleIndexKey a0)
16669 return _IMP_core.Provenanced_remove_attribute(self, *args)
16671 def has_attribute(self, *args):
16673 has_attribute(Provenanced self, FloatKey a0) -> bool
16674 has_attribute(Provenanced self, IntKey a0) -> bool
16675 has_attribute(Provenanced self, FloatsKey a0) -> bool
16676 has_attribute(Provenanced self, IntsKey a0) -> bool
16677 has_attribute(Provenanced self, StringKey a0) -> bool
16678 has_attribute(Provenanced self, ParticleIndexKey a0) -> bool
16679 has_attribute(Provenanced self, ObjectKey a0) -> bool
16680 has_attribute(Provenanced self, SparseFloatKey a0) -> bool
16681 has_attribute(Provenanced self, SparseIntKey a0) -> bool
16682 has_attribute(Provenanced self, SparseStringKey a0) -> bool
16683 has_attribute(Provenanced self, SparseParticleIndexKey a0) -> bool
16685 return _IMP_core.Provenanced_has_attribute(self, *args)
16687 def get_derivative(self, a0):
16688 r"""get_derivative(Provenanced self, FloatKey a0) -> double"""
16689 return _IMP_core.Provenanced_get_derivative(self, a0)
16691 def get_name(self):
16692 r"""get_name(Provenanced self) -> std::string"""
16693 return _IMP_core.Provenanced_get_name(self)
16695 def clear_caches(self):
16696 r"""clear_caches(Provenanced self)"""
16697 return _IMP_core.Provenanced_clear_caches(self)
16699 def set_name(self, a0):
16700 r"""set_name(Provenanced self, std::string a0)"""
16701 return _IMP_core.Provenanced_set_name(self, a0)
16704 r"""set_check_level(Provenanced self, IMP::CheckLevel a0)"""
16705 return _IMP_core.Provenanced_set_check_level(self, a0)
16707 def add_to_derivative(self, a0, a1, a2):
16708 r"""add_to_derivative(Provenanced self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16709 return _IMP_core.Provenanced_add_to_derivative(self, a0, a1, a2)
16711 def set_is_optimized(self, a0, a1):
16712 r"""set_is_optimized(Provenanced self, FloatKey a0, bool a1)"""
16713 return _IMP_core.Provenanced_set_is_optimized(self, a0, a1)
16715 def get_is_optimized(self, a0):
16716 r"""get_is_optimized(Provenanced self, FloatKey a0) -> bool"""
16717 return _IMP_core.Provenanced_get_is_optimized(self, a0)
16720 r"""get_check_level(Provenanced self) -> IMP::CheckLevel"""
16721 return _IMP_core.Provenanced_get_check_level(self)
16723 def __eq__(self, *args):
16725 __eq__(Provenanced self, Provenanced o) -> bool
16726 __eq__(Provenanced self, Particle d) -> bool
16728 return _IMP_core.Provenanced___eq__(self, *args)
16730 def __ne__(self, *args):
16732 __ne__(Provenanced self, Provenanced o) -> bool
16733 __ne__(Provenanced self, Particle d) -> bool
16735 return _IMP_core.Provenanced___ne__(self, *args)
16737 def __le__(self, *args):
16739 __le__(Provenanced self, Provenanced o) -> bool
16740 __le__(Provenanced self, Particle d) -> bool
16742 return _IMP_core.Provenanced___le__(self, *args)
16744 def __lt__(self, *args):
16746 __lt__(Provenanced self, Provenanced o) -> bool
16747 __lt__(Provenanced self, Particle d) -> bool
16749 return _IMP_core.Provenanced___lt__(self, *args)
16751 def __ge__(self, *args):
16753 __ge__(Provenanced self, Provenanced o) -> bool
16754 __ge__(Provenanced self, Particle d) -> bool
16756 return _IMP_core.Provenanced___ge__(self, *args)
16758 def __gt__(self, *args):
16760 __gt__(Provenanced self, Provenanced o) -> bool
16761 __gt__(Provenanced self, Particle d) -> bool
16763 return _IMP_core.Provenanced___gt__(self, *args)
16765 def __hash__(self):
16766 r"""__hash__(Provenanced self) -> std::size_t"""
16767 return _IMP_core.Provenanced___hash__(self)
16770 r"""__str__(Provenanced self) -> std::string"""
16771 return _IMP_core.Provenanced___str__(self)
16773 def __repr__(self):
16774 r"""__repr__(Provenanced self) -> std::string"""
16775 return _IMP_core.Provenanced___repr__(self)
16777 def _get_as_binary(self):
16778 r"""_get_as_binary(Provenanced self) -> PyObject *"""
16779 return _IMP_core.Provenanced__get_as_binary(self)
16781 def _set_from_binary(self, p):
16782 r"""_set_from_binary(Provenanced self, PyObject * p)"""
16783 return _IMP_core.Provenanced__set_from_binary(self, p)
16785 def __getstate__(self):
16786 p = self._get_as_binary()
16787 if len(self.__dict__) > 1:
16788 d = self.__dict__.copy()
16793 def __setstate__(self, p):
16794 if not hasattr(self,
'this'):
16796 if isinstance(p, tuple):
16798 self.__dict__.update(d)
16799 return self._set_from_binary(p)
16801 __swig_destroy__ = _IMP_core.delete_Provenanced
16804 _IMP_core.Provenanced_swigregister(Provenanced)
16807 r"""add_provenance(Model m, ParticleIndex pi, Provenance p)"""
16808 return _IMP_core.add_provenance(m, pi, p)
16811 r"""create_clone(Provenance p, Model m=None) -> Provenance"""
16812 return _IMP_core.create_clone(p, m)
16816 get_transformation_aligning_first_to_second(IMP::ParticlesTemp const & a, IMP::ParticlesTemp const & b) -> Transformation3D
16817 get_transformation_aligning_first_to_second(IMP::ParticlesTemp const & a, IMP::Vector< IMP::VectorD< 3 >,std::allocator< IMP::VectorD< 3 > > > const & b) -> Transformation3D
16818 get_transformation_aligning_first_to_second(IMP::Vector< IMP::VectorD< 3 >,std::allocator< IMP::VectorD< 3 > > > const & a, IMP::ParticlesTemp const & b) -> Transformation3D
16820 return _IMP_core.get_transformation_aligning_first_to_second(*args)
16823 r"""create_restraint(PairScore ps, IMP::ParticlePair pp) -> Restraint"""
16824 return _IMP_core.create_restraint(ps, pp)
16826 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::LOWER > class."""
16828 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16830 def __init__(self, *args):
16832 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicLowerBound
16833 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicLowerBound
16835 _IMP_core.TruncatedHarmonicLowerBound_swiginit(self, _IMP_core.new_TruncatedHarmonicLowerBound(*args))
16837 def get_version_info(self):
16838 r"""get_version_info(TruncatedHarmonicLowerBound self) -> VersionInfo"""
16839 return _IMP_core.TruncatedHarmonicLowerBound_get_version_info(self)
16840 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicLowerBound
16843 r"""__str__(TruncatedHarmonicLowerBound self) -> std::string"""
16844 return _IMP_core.TruncatedHarmonicLowerBound___str__(self)
16846 def __repr__(self):
16847 r"""__repr__(TruncatedHarmonicLowerBound self) -> std::string"""
16848 return _IMP_core.TruncatedHarmonicLowerBound___repr__(self)
16852 return _object_cast_to_TruncatedHarmonic(o)
16856 _IMP_core.TruncatedHarmonicLowerBound_swigregister(TruncatedHarmonicLowerBound)
16858 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::UPPER > class."""
16860 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16862 def __init__(self, *args):
16864 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicUpperBound
16865 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicUpperBound
16867 _IMP_core.TruncatedHarmonicUpperBound_swiginit(self, _IMP_core.new_TruncatedHarmonicUpperBound(*args))
16869 def get_version_info(self):
16870 r"""get_version_info(TruncatedHarmonicUpperBound self) -> VersionInfo"""
16871 return _IMP_core.TruncatedHarmonicUpperBound_get_version_info(self)
16872 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicUpperBound
16875 r"""__str__(TruncatedHarmonicUpperBound self) -> std::string"""
16876 return _IMP_core.TruncatedHarmonicUpperBound___str__(self)
16878 def __repr__(self):
16879 r"""__repr__(TruncatedHarmonicUpperBound self) -> std::string"""
16880 return _IMP_core.TruncatedHarmonicUpperBound___repr__(self)
16884 return _object_cast_to_TruncatedHarmonic(o)
16888 _IMP_core.TruncatedHarmonicUpperBound_swigregister(TruncatedHarmonicUpperBound)
16890 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::BOTH > class."""
16892 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16894 def __init__(self, *args):
16896 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicBound
16897 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicBound
16899 _IMP_core.TruncatedHarmonicBound_swiginit(self, _IMP_core.new_TruncatedHarmonicBound(*args))
16901 def get_version_info(self):
16902 r"""get_version_info(TruncatedHarmonicBound self) -> VersionInfo"""
16903 return _IMP_core.TruncatedHarmonicBound_get_version_info(self)
16904 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicBound
16907 r"""__str__(TruncatedHarmonicBound self) -> std::string"""
16908 return _IMP_core.TruncatedHarmonicBound___str__(self)
16910 def __repr__(self):
16911 r"""__repr__(TruncatedHarmonicBound self) -> std::string"""
16912 return _IMP_core.TruncatedHarmonicBound___repr__(self)
16916 return _object_cast_to_TruncatedHarmonic(o)
16920 _IMP_core.TruncatedHarmonicBound_swigregister(TruncatedHarmonicBound)
16922 r"""Proxy of C++ IMP::Key< 34897493 > class."""
16924 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16926 def __init__(self, *args):
16928 __init__(ParticleType self) -> ParticleType
16929 __init__(ParticleType self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleType
16930 __init__(ParticleType self, unsigned int i) -> ParticleType
16932 _IMP_core.ParticleType_swiginit(self, _IMP_core.new_ParticleType(*args))
16936 r"""add_key(std::string sc) -> unsigned int"""
16937 return _IMP_core.ParticleType_add_key(sc)
16940 def get_key_exists(sc):
16941 r"""get_key_exists(std::string sc) -> bool"""
16942 return _IMP_core.ParticleType_get_key_exists(sc)
16944 def get_string(self):
16945 r"""get_string(ParticleType self) -> std::string const"""
16946 return _IMP_core.ParticleType_get_string(self)
16948 def __cmp__(self, o):
16949 r"""__cmp__(ParticleType self, ParticleType o) -> int"""
16950 return _IMP_core.ParticleType___cmp__(self, o)
16952 def __eq__(self, o):
16953 r"""__eq__(ParticleType self, ParticleType o) -> bool"""
16954 return _IMP_core.ParticleType___eq__(self, o)
16956 def __ne__(self, o):
16957 r"""__ne__(ParticleType self, ParticleType o) -> bool"""
16958 return _IMP_core.ParticleType___ne__(self, o)
16960 def __lt__(self, o):
16961 r"""__lt__(ParticleType self, ParticleType o) -> bool"""
16962 return _IMP_core.ParticleType___lt__(self, o)
16964 def __gt__(self, o):
16965 r"""__gt__(ParticleType self, ParticleType o) -> bool"""
16966 return _IMP_core.ParticleType___gt__(self, o)
16968 def __ge__(self, o):
16969 r"""__ge__(ParticleType self, ParticleType o) -> bool"""
16970 return _IMP_core.ParticleType___ge__(self, o)
16972 def __le__(self, o):
16973 r"""__le__(ParticleType self, ParticleType o) -> bool"""
16974 return _IMP_core.ParticleType___le__(self, o)
16976 def __hash__(self):
16977 r"""__hash__(ParticleType self) -> std::size_t"""
16978 return _IMP_core.ParticleType___hash__(self)
16980 def show(self, *args):
16981 r"""show(ParticleType self, _ostream out=std::cout)"""
16982 return _IMP_core.ParticleType_show(self, *args)
16985 def add_alias(old_key, new_name):
16986 r"""add_alias(ParticleType old_key, std::string new_name) -> ParticleType"""
16987 return _IMP_core.ParticleType_add_alias(old_key, new_name)
16990 def get_number_of_keys():
16991 r"""get_number_of_keys() -> unsigned int"""
16992 return _IMP_core.ParticleType_get_number_of_keys()
16995 r"""get_index(ParticleType self) -> unsigned int"""
16996 return _IMP_core.ParticleType_get_index(self)
17000 r"""show_all(_ostream out)"""
17001 return _IMP_core.ParticleType_show_all(out)
17004 def get_all_strings():
17005 r"""get_all_strings() -> IMP::Vector< std::string >"""
17006 return _IMP_core.ParticleType_get_all_strings()
17009 def get_number_unique():
17010 r"""get_number_unique() -> unsigned int"""
17011 return _IMP_core.ParticleType_get_number_unique()
17014 r"""__str__(ParticleType self) -> std::string"""
17015 return _IMP_core.ParticleType___str__(self)
17017 def __repr__(self):
17018 r"""__repr__(ParticleType self) -> std::string"""
17019 return _IMP_core.ParticleType___repr__(self)
17020 __swig_destroy__ = _IMP_core.delete_ParticleType
17023 _IMP_core.ParticleType_swigregister(ParticleType)
17025 r"""Proxy of C++ IMP::core::GenericAttributeSingletonScore< UnaryFunction > class."""
17027 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
17028 __repr__ = _swig_repr
17030 def __init__(self, f, k):
17031 r"""__init__(AttributeSingletonScore self, UnaryFunction f, FloatKey k) -> AttributeSingletonScore"""
17032 _IMP_core.AttributeSingletonScore_swiginit(self, _IMP_core.new_AttributeSingletonScore(f, k))
17034 def do_get_inputs(self, m, pis):
17035 r"""do_get_inputs(AttributeSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
17036 return _IMP_core.AttributeSingletonScore_do_get_inputs(self, m, pis)
17038 def get_unary_function(self):
17039 r"""get_unary_function(AttributeSingletonScore self) -> UnaryFunction"""
17040 return _IMP_core.AttributeSingletonScore_get_unary_function(self)
17043 r"""get_key(AttributeSingletonScore self) -> FloatKey"""
17044 return _IMP_core.AttributeSingletonScore_get_key(self)
17046 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
17047 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"""
17048 return _IMP_core.AttributeSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
17050 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
17051 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"""
17052 return _IMP_core.AttributeSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
17054 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
17055 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"""
17056 return _IMP_core.AttributeSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
17058 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
17059 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"""
17060 return _IMP_core.AttributeSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
17062 def get_version_info(self):
17063 r"""get_version_info(AttributeSingletonScore self) -> VersionInfo"""
17064 return _IMP_core.AttributeSingletonScore_get_version_info(self)
17065 __swig_destroy__ = _IMP_core.delete_AttributeSingletonScore
17069 return _object_cast_to_AttributeSingletonScore(o)
17072 def _get_jax(self, m, indexes, space):
17073 def score_float_key(jm, key, uf):
17074 return uf(jm[key][indexes])
17076 def score_xyz_key(jm, xyz_index, uf):
17077 return uf(jm[
'xyz'][indexes, xyz_index])
17079 uf = self.get_unary_function().get_derived_object()._get_jax()
17080 key = self.get_key()
17083 if key.get_index() >= 7:
17085 f = functools.partial(score_float_key, key=key.get_string(), uf=uf)
17086 elif key == XYZR.get_radius_key():
17088 f = functools.partial(score_float_key, key=
'r', uf=uf)
17089 elif key
in XYZ.get_xyz_keys():
17091 xyz_index = XYZ.get_xyz_keys().index(key)
17092 f = functools.partial(score_xyz_key, xyz_index=xyz_index, uf=uf)
17094 raise NotImplementedError(
"No support for key %s" % key)
17095 return self._wrap_jax(m, f, keys=need_keys)
17099 _IMP_core.AttributeSingletonScore_swigregister(AttributeSingletonScore)
17102 r"""create_generic_attribute_singleton_score(UnaryFunction uf, FloatKey k) -> AttributeSingletonScore"""
17103 return _IMP_core.create_generic_attribute_singleton_score(uf, k)
17105 r"""Proxy of C++ IMP::core::GenericBoundingBox3DSingletonScore< UnaryFunction > class."""
17107 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
17108 __repr__ = _swig_repr
17110 def __init__(self, f, bb):
17111 r"""__init__(BoundingBox3DSingletonScore self, UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
17112 _IMP_core.BoundingBox3DSingletonScore_swiginit(self, _IMP_core.new_BoundingBox3DSingletonScore(f, bb))
17114 def get_unary_function(self):
17115 r"""get_unary_function(BoundingBox3DSingletonScore self) -> UnaryFunction"""
17116 return _IMP_core.BoundingBox3DSingletonScore_get_unary_function(self)
17119 r"""get_bounding_box(BoundingBox3DSingletonScore self) -> BoundingBox3D"""
17120 return _IMP_core.BoundingBox3DSingletonScore_get_bounding_box(self)
17122 def do_get_inputs(self, m, pis):
17123 r"""do_get_inputs(BoundingBox3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
17124 return _IMP_core.BoundingBox3DSingletonScore_do_get_inputs(self, m, pis)
17126 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
17127 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"""
17128 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
17130 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
17131 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"""
17132 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
17134 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
17135 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"""
17136 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
17138 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
17139 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"""
17140 return _IMP_core.BoundingBox3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
17142 def get_version_info(self):
17143 r"""get_version_info(BoundingBox3DSingletonScore self) -> VersionInfo"""
17144 return _IMP_core.BoundingBox3DSingletonScore_get_version_info(self)
17145 __swig_destroy__ = _IMP_core.delete_BoundingBox3DSingletonScore
17149 return _object_cast_to_BoundingBox3DSingletonScore(o)
17152 def _get_jax(self, m, indexes, space):
17153 import jax.numpy
as jnp
17154 def score(jm, box_min, box_max, uf):
17155 xyzs = jm[
'xyz'][indexes]
17162 drs = space.distance(xyzs - jnp.clip(xyzs, box_min, box_max))
17164 uf = self.get_unary_function().get_derived_object()
17165 bb = self.get_bounding_box()
17166 f = functools.partial(score, box_min=jnp.asarray(bb.get_corner(0)),
17167 box_max=jnp.asarray(bb.get_corner(1)),
17169 return self._wrap_jax(m, f)
17173 _IMP_core.BoundingBox3DSingletonScore_swigregister(BoundingBox3DSingletonScore)
17175 def create_bounding_box_3d_singleton_score(f, bb):
17176 r"""create_bounding_box_3d_singleton_score(UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
17177 return _IMP_core.create_bounding_box_3d_singleton_score(f, bb)
17179 r"""Proxy of C++ IMP::core::GenericBoundingSphere3DSingletonScore< UnaryFunction > class."""
17181 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
17182 __repr__ = _swig_repr
17184 def __init__(self, f, sphere):
17185 r"""__init__(BoundingSphere3DSingletonScore self, UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
17186 _IMP_core.BoundingSphere3DSingletonScore_swiginit(self, _IMP_core.new_BoundingSphere3DSingletonScore(f, sphere))
17188 def do_get_inputs(self, m, pis):
17189 r"""do_get_inputs(BoundingSphere3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
17190 return _IMP_core.BoundingSphere3DSingletonScore_do_get_inputs(self, m, pis)
17192 def get_unary_function(self):
17193 r"""get_unary_function(BoundingSphere3DSingletonScore self) -> UnaryFunction"""
17194 return _IMP_core.BoundingSphere3DSingletonScore_get_unary_function(self)
17196 def get_sphere(self):
17197 r"""get_sphere(BoundingSphere3DSingletonScore self) -> Sphere3D"""
17198 return _IMP_core.BoundingSphere3DSingletonScore_get_sphere(self)
17200 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
17201 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"""
17202 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
17204 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
17205 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"""
17206 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
17208 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
17209 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"""
17210 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
17212 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
17213 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"""
17214 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
17216 def get_version_info(self):
17217 r"""get_version_info(BoundingSphere3DSingletonScore self) -> VersionInfo"""
17218 return _IMP_core.BoundingSphere3DSingletonScore_get_version_info(self)
17219 __swig_destroy__ = _IMP_core.delete_BoundingSphere3DSingletonScore
17223 return _object_cast_to_BoundingSphere3DSingletonScore(o)
17226 def _get_jax(self, m, indexes, space):
17228 import jax.numpy
as jnp
17229 def score(jm, use_radii, center, radius, uf):
17230 xyzs = jm[
'xyz'][indexes]
17231 radii = jnp.where(use_radii, jm[
'r'][indexes], 0.0)
17232 drs = space.distance(xyzs - center) + radii - radius
17233 return jnp.where(drs < 0.000001, 0.0, uf(drs))
17235 for ind
in indexes])
17236 uf = self.get_unary_function().get_derived_object()
17237 sphere = self.get_sphere()
17238 f = functools.partial(score, use_radii=use_radii,
17239 center=jnp.asarray(sphere.get_center()),
17240 radius=sphere.get_radius(), uf=uf._get_jax())
17241 return self._wrap_jax(m, f)
17245 _IMP_core.BoundingSphere3DSingletonScore_swigregister(BoundingSphere3DSingletonScore)
17247 def create_bounding_sphere_3d_singleton_score(f, sphere):
17248 r"""create_bounding_sphere_3d_singleton_score(UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
17249 return _IMP_core.create_bounding_sphere_3d_singleton_score(f, sphere)
17251 r"""Proxy of C++ IMP::core::GenericDistanceToSingletonScore< UnaryFunction > class."""
17253 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
17254 __repr__ = _swig_repr
17256 def __init__(self, *args):
17258 __init__(DistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore
17259 __init__(DistanceToSingletonScore self) -> DistanceToSingletonScore
17261 _IMP_core.DistanceToSingletonScore_swiginit(self, _IMP_core.new_DistanceToSingletonScore(*args))
17263 def do_get_inputs(self, m, pis):
17264 r"""do_get_inputs(DistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
17265 return _IMP_core.DistanceToSingletonScore_do_get_inputs(self, m, pis)
17267 def get_unary_function(self):
17268 r"""get_unary_function(DistanceToSingletonScore self) -> UnaryFunction"""
17269 return _IMP_core.DistanceToSingletonScore_get_unary_function(self)
17271 def get_point(self):
17272 r"""get_point(DistanceToSingletonScore self) -> Vector3D"""
17273 return _IMP_core.DistanceToSingletonScore_get_point(self)
17275 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
17276 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"""
17277 return _IMP_core.DistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
17279 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
17280 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"""
17281 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
17283 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
17284 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"""
17285 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
17287 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
17288 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"""
17289 return _IMP_core.DistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
17291 def get_version_info(self):
17292 r"""get_version_info(DistanceToSingletonScore self) -> VersionInfo"""
17293 return _IMP_core.DistanceToSingletonScore_get_version_info(self)
17294 __swig_destroy__ = _IMP_core.delete_DistanceToSingletonScore
17298 return _object_cast_to_DistanceToSingletonScore(o)
17301 def _get_as_binary(self):
17302 r"""_get_as_binary(DistanceToSingletonScore self) -> PyObject *"""
17303 return _IMP_core.DistanceToSingletonScore__get_as_binary(self)
17305 def _set_from_binary(self, p):
17306 r"""_set_from_binary(DistanceToSingletonScore self, PyObject * p)"""
17307 return _IMP_core.DistanceToSingletonScore__set_from_binary(self, p)
17309 def __getstate__(self):
17310 p = self._get_as_binary()
17311 if len(self.__dict__) > 1:
17312 d = self.__dict__.copy()
17317 def __setstate__(self, p):
17318 if not hasattr(self,
'this'):
17320 if isinstance(p, tuple):
17322 self.__dict__.update(d)
17323 return self._set_from_binary(p)
17326 def _get_jax(self, m, indexes, space):
17327 import jax.numpy
as jnp
17328 def score(jm, point, uf):
17329 xyzs = jm[
'xyz'][indexes]
17330 drs = space.distance(xyzs - point)
17332 uf = self.get_unary_function().get_derived_object()
17333 f = functools.partial(score, point=jnp.array(self.get_point()),
17335 return self._wrap_jax(m, f)
17339 _IMP_core.DistanceToSingletonScore_swigregister(DistanceToSingletonScore)
17341 def create_distance_to_singleton_score(f, pt):
17342 r"""create_distance_to_singleton_score(UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore"""
17343 return _IMP_core.create_distance_to_singleton_score(f, pt)
17345 class SphereDistancePairScore(_SphereDistancePairScore.__bases__[0]):
17346 def __init__(self, uf):
17347 if isinstance(uf, HarmonicUpperBound):
17348 p = HarmonicUpperBoundSphereDistancePairScore(
17349 uf.get_mean(), uf.get_k())
17350 elif isinstance(uf, HarmonicLowerBound):
17351 if uf.get_mean() == 0.0:
17352 p = SoftSpherePairScore(uf.get_k())
17354 p = _SphereDistancePairScore(uf)
17355 elif isinstance(uf, Harmonic):
17356 p = HarmonicSphereDistancePairScore(
17357 uf.get_mean(), uf.get_k())
17359 p = _SphereDistancePairScore(uf)
17360 self.__dict__[
'_proxied'] = p
17361 def __getattr__(self, key):
17362 return getattr(self._proxied, key)
17363 def __setattr__(self, key, val):
17364 return setattr(self._proxied, key, val)
17366 def __getstate__(self):
17367 return self.__dict__[
'_proxied']
17369 def __setstate__(self, p):
17370 self.__dict__[
'_proxied'] = p
17372 def _get_jax(self, *args, **kwargs):
17373 return self._proxied._get_jax(*args, **kwargs)
17378 p = HarmonicUpperBoundSphereDistancePairScore.get_from(o)
17381 p = HarmonicSphereDistancePairScore.get_from(o)
17384 p = SoftSpherePairScore.get_from(o)
17386 p = _SphereDistancePairScore.get_from(o)
17387 obj = object.__new__(SphereDistancePairScore)
17388 obj.__dict__[
'_proxied'] = p
17394 CombineProvenance, FilterProvenance,
17395 ClusterProvenance, ScriptProvenance,
17396 SoftwareProvenance]):
17397 """Yield all provenance decorators of the given types for the particle.
17398 By default, all provenance types are returned. Provenance is returned
17399 in order, most recent first. If the particle has no provenance
17400 information, an empty generator is returned."""
17401 if Provenanced.get_is_setup(p):
17405 if c.get_is_setup(prov):
17407 prov = prov.get_previous()
17410 """Tag the given particle with the current Python script.
17411 This is a noop if the particle is already so tagged."""
17412 main = sys.modules[
'__main__']
17414 if not hasattr(main,
'__file__'):
17418 if prov.get_filename() == f:
17422 provp.set_name(
'script')
17423 prov = ScriptProvenance.setup_particle(provp, f)
17427 """Tag the given particle with the software used to create it.
17428 This is a noop if the particle is already so tagged."""
17430 if prov.get_software_name() == name
and prov.get_version() == version \
17431 and prov.get_location() == location:
17435 provp.set_name(
'software')
17436 prov = SoftwareProvenance.setup_particle(provp, name, version, location)
17440 """Tag the given particle as being created by the current version of IMP."""
17443 location=
"https://integrativemodeling.org")
17446 def get_module_name():
17447 r"""get_module_name() -> std::string const"""
17448 return _IMP_core.get_module_name()
17451 r"""get_module_version() -> std::string const"""
17452 return _IMP_core.get_module_version()
17455 r"""get_example_path(std::string fname) -> std::string"""
17456 return _IMP_core.get_example_path(fname)
17459 r"""get_data_path(std::string fname) -> std::string"""
17460 return _IMP_core.get_data_path(fname)
17462 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.
Utility functions for the JAX Python library.
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.