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(
"AttributeSingletonScore")
356 def _object_cast_to_AttributeSingletonScore(o):
357 r"""_object_cast_to_AttributeSingletonScore(Object o) -> AttributeSingletonScore"""
358 return _IMP_core._object_cast_to_AttributeSingletonScore(o)
360 _object_types.append(
"BallMover")
363 def _object_cast_to_BallMover(o):
364 r"""_object_cast_to_BallMover(Object o) -> BallMover"""
365 return _IMP_core._object_cast_to_BallMover(o)
367 _object_types.append(
"SerialMover")
370 def _object_cast_to_SerialMover(o):
371 r"""_object_cast_to_SerialMover(Object o) -> SerialMover"""
372 return _IMP_core._object_cast_to_SerialMover(o)
374 _object_types.append(
"SubsetMover")
377 def _object_cast_to_SubsetMover(o):
378 r"""_object_cast_to_SubsetMover(Object o) -> SubsetMover"""
379 return _IMP_core._object_cast_to_SubsetMover(o)
381 _object_types.append(
"DirectionMover")
384 def _object_cast_to_DirectionMover(o):
385 r"""_object_cast_to_DirectionMover(Object o) -> DirectionMover"""
386 return _IMP_core._object_cast_to_DirectionMover(o)
388 _object_types.append(
"SurfaceMover")
391 def _object_cast_to_SurfaceMover(o):
392 r"""_object_cast_to_SurfaceMover(Object o) -> SurfaceMover"""
393 return _IMP_core._object_cast_to_SurfaceMover(o)
395 _object_types.append(
"BoundingBox3DSingletonScore")
398 def _object_cast_to_BoundingBox3DSingletonScore(o):
399 r"""_object_cast_to_BoundingBox3DSingletonScore(Object o) -> BoundingBox3DSingletonScore"""
400 return _IMP_core._object_cast_to_BoundingBox3DSingletonScore(o)
402 _object_types.append(
"BoundingSphere3DSingletonScore")
405 def _object_cast_to_BoundingSphere3DSingletonScore(o):
406 r"""_object_cast_to_BoundingSphere3DSingletonScore(Object o) -> BoundingSphere3DSingletonScore"""
407 return _IMP_core._object_cast_to_BoundingSphere3DSingletonScore(o)
409 _object_types.append(
"BoxSweepClosePairsFinder")
412 def _object_cast_to_BoxSweepClosePairsFinder(o):
413 r"""_object_cast_to_BoxSweepClosePairsFinder(Object o) -> BoxSweepClosePairsFinder"""
414 return _IMP_core._object_cast_to_BoxSweepClosePairsFinder(o)
416 _object_types.append(
"NearestNeighborsClosePairsFinder")
419 def _object_cast_to_NearestNeighborsClosePairsFinder(o):
420 r"""_object_cast_to_NearestNeighborsClosePairsFinder(Object o) -> NearestNeighborsClosePairsFinder"""
421 return _IMP_core._object_cast_to_NearestNeighborsClosePairsFinder(o)
423 _object_types.append(
"CentroidOfRefined")
426 def _object_cast_to_CentroidOfRefined(o):
427 r"""_object_cast_to_CentroidOfRefined(Object o) -> CentroidOfRefined"""
428 return _IMP_core._object_cast_to_CentroidOfRefined(o)
430 _object_types.append(
"ChecksScoreState")
433 def _object_cast_to_ChecksScoreState(o):
434 r"""_object_cast_to_ChecksScoreState(Object o) -> ChecksScoreState"""
435 return _IMP_core._object_cast_to_ChecksScoreState(o)
437 _object_types.append(
"ChildrenRefiner")
440 def _object_cast_to_ChildrenRefiner(o):
441 r"""_object_cast_to_ChildrenRefiner(Object o) -> ChildrenRefiner"""
442 return _IMP_core._object_cast_to_ChildrenRefiner(o)
444 _object_types.append(
"ClosePairsFinder")
447 def _object_cast_to_ClosePairsFinder(o):
448 r"""_object_cast_to_ClosePairsFinder(Object o) -> ClosePairsFinder"""
449 return _IMP_core._object_cast_to_ClosePairsFinder(o)
451 _object_types.append(
"ClosePairsPairScore")
454 def _object_cast_to_ClosePairsPairScore(o):
455 r"""_object_cast_to_ClosePairsPairScore(Object o) -> ClosePairsPairScore"""
456 return _IMP_core._object_cast_to_ClosePairsPairScore(o)
458 _object_types.append(
"ClosedCubicSpline")
461 def _object_cast_to_ClosedCubicSpline(o):
462 r"""_object_cast_to_ClosedCubicSpline(Object o) -> ClosedCubicSpline"""
463 return _IMP_core._object_cast_to_ClosedCubicSpline(o)
465 _object_types.append(
"ConjugateGradients")
468 def _object_cast_to_ConjugateGradients(o):
469 r"""_object_cast_to_ConjugateGradients(Object o) -> ConjugateGradients"""
470 return _IMP_core._object_cast_to_ConjugateGradients(o)
472 _object_types.append(
"ConnectivityRestraint")
475 def _object_cast_to_ConnectivityRestraint(o):
476 r"""_object_cast_to_ConnectivityRestraint(Object o) -> ConnectivityRestraint"""
477 return _IMP_core._object_cast_to_ConnectivityRestraint(o)
479 _object_types.append(
"ConstantRestraint")
482 def _object_cast_to_ConstantRestraint(o):
483 r"""_object_cast_to_ConstantRestraint(Object o) -> ConstantRestraint"""
484 return _IMP_core._object_cast_to_ConstantRestraint(o)
486 _object_types.append(
"Cosine")
489 def _object_cast_to_Cosine(o):
490 r"""_object_cast_to_Cosine(Object o) -> Cosine"""
491 return _IMP_core._object_cast_to_Cosine(o)
493 _object_types.append(
"CoverRefined")
496 def _object_cast_to_CoverRefined(o):
497 r"""_object_cast_to_CoverRefined(Object o) -> CoverRefined"""
498 return _IMP_core._object_cast_to_CoverRefined(o)
500 _object_types.append(
"DerivativesFromRefined")
503 def _object_cast_to_DerivativesFromRefined(o):
504 r"""_object_cast_to_DerivativesFromRefined(Object o) -> DerivativesFromRefined"""
505 return _IMP_core._object_cast_to_DerivativesFromRefined(o)
507 _object_types.append(
"DerivativesToRefined")
510 def _object_cast_to_DerivativesToRefined(o):
511 r"""_object_cast_to_DerivativesToRefined(Object o) -> DerivativesToRefined"""
512 return _IMP_core._object_cast_to_DerivativesToRefined(o)
514 _object_types.append(
"WeightedDerivativesToRefined")
517 def _object_cast_to_WeightedDerivativesToRefined(o):
518 r"""_object_cast_to_WeightedDerivativesToRefined(Object o) -> IMP::core::WeightedDerivativesToRefined *"""
519 return _IMP_core._object_cast_to_WeightedDerivativesToRefined(o)
521 _object_types.append(
"DiameterRestraint")
524 def _object_cast_to_DiameterRestraint(o):
525 r"""_object_cast_to_DiameterRestraint(Object o) -> DiameterRestraint"""
526 return _IMP_core._object_cast_to_DiameterRestraint(o)
528 _object_types.append(
"DihedralRestraint")
531 def _object_cast_to_DihedralRestraint(o):
532 r"""_object_cast_to_DihedralRestraint(Object o) -> DihedralRestraint"""
533 return _IMP_core._object_cast_to_DihedralRestraint(o)
535 _object_types.append(
"DistanceRestraint")
538 def _object_cast_to_DistanceRestraint(o):
539 r"""_object_cast_to_DistanceRestraint(Object o) -> DistanceRestraint"""
540 return _IMP_core._object_cast_to_DistanceRestraint(o)
542 _object_types.append(
"DistanceToSingletonScore")
545 def _object_cast_to_DistanceToSingletonScore(o):
546 r"""_object_cast_to_DistanceToSingletonScore(Object o) -> DistanceToSingletonScore"""
547 return _IMP_core._object_cast_to_DistanceToSingletonScore(o)
549 _object_types.append(
"ExcludedVolumeRestraint")
552 def _object_cast_to_ExcludedVolumeRestraint(o):
553 r"""_object_cast_to_ExcludedVolumeRestraint(Object o) -> ExcludedVolumeRestraint"""
554 return _IMP_core._object_cast_to_ExcludedVolumeRestraint(o)
556 _object_types.append(
"FixedRefiner")
559 def _object_cast_to_FixedRefiner(o):
560 r"""_object_cast_to_FixedRefiner(Object o) -> FixedRefiner"""
561 return _IMP_core._object_cast_to_FixedRefiner(o)
563 _object_types.append(
"GridClosePairsFinder")
566 def _object_cast_to_GridClosePairsFinder(o):
567 r"""_object_cast_to_GridClosePairsFinder(Object o) -> GridClosePairsFinder"""
568 return _IMP_core._object_cast_to_GridClosePairsFinder(o)
570 _object_types.append(
"Harmonic")
573 def _object_cast_to_Harmonic(o):
574 r"""_object_cast_to_Harmonic(Object o) -> Harmonic"""
575 return _IMP_core._object_cast_to_Harmonic(o)
577 _object_types.append(
"HarmonicWell")
580 def _object_cast_to_HarmonicWell(o):
581 r"""_object_cast_to_HarmonicWell(Object o) -> HarmonicWell"""
582 return _IMP_core._object_cast_to_HarmonicWell(o)
584 _object_types.append(
"HarmonicLowerBound")
587 def _object_cast_to_HarmonicLowerBound(o):
588 r"""_object_cast_to_HarmonicLowerBound(Object o) -> HarmonicLowerBound"""
589 return _IMP_core._object_cast_to_HarmonicLowerBound(o)
591 _object_types.append(
"HarmonicUpperBound")
594 def _object_cast_to_HarmonicUpperBound(o):
595 r"""_object_cast_to_HarmonicUpperBound(Object o) -> HarmonicUpperBound"""
596 return _IMP_core._object_cast_to_HarmonicUpperBound(o)
598 _object_types.append(
"HarmonicSphereDistancePairScore")
601 def _object_cast_to_HarmonicSphereDistancePairScore(o):
602 r"""_object_cast_to_HarmonicSphereDistancePairScore(Object o) -> HarmonicSphereDistancePairScore"""
603 return _IMP_core._object_cast_to_HarmonicSphereDistancePairScore(o)
605 _object_types.append(
"HarmonicUpperBoundSphereDistancePairScore")
608 def _object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o):
609 r"""_object_cast_to_HarmonicUpperBoundSphereDistancePairScore(Object o) -> HarmonicUpperBoundSphereDistancePairScore"""
610 return _IMP_core._object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o)
612 _object_types.append(
"HarmonicUpperBoundSphereDiameterPairScore")
615 def _object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o):
616 r"""_object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(Object o) -> HarmonicUpperBoundSphereDiameterPairScore"""
617 return _IMP_core._object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o)
619 _object_types.append(
"HarmonicSurfaceDistancePairScore")
622 def _object_cast_to_HarmonicSurfaceDistancePairScore(o):
623 r"""_object_cast_to_HarmonicSurfaceDistancePairScore(Object o) -> HarmonicSurfaceDistancePairScore"""
624 return _IMP_core._object_cast_to_HarmonicSurfaceDistancePairScore(o)
626 _object_types.append(
"HarmonicSurfaceHeightPairScore")
629 def _object_cast_to_HarmonicSurfaceHeightPairScore(o):
630 r"""_object_cast_to_HarmonicSurfaceHeightPairScore(Object o) -> HarmonicSurfaceHeightPairScore"""
631 return _IMP_core._object_cast_to_HarmonicSurfaceHeightPairScore(o)
633 _object_types.append(
"HarmonicSurfaceDepthPairScore")
636 def _object_cast_to_HarmonicSurfaceDepthPairScore(o):
637 r"""_object_cast_to_HarmonicSurfaceDepthPairScore(Object o) -> HarmonicSurfaceDepthPairScore"""
638 return _IMP_core._object_cast_to_HarmonicSurfaceDepthPairScore(o)
640 _object_types.append(
"WeightedSum")
643 def _object_cast_to_WeightedSum(o):
644 r"""_object_cast_to_WeightedSum(Object o) -> WeightedSum"""
645 return _IMP_core._object_cast_to_WeightedSum(o)
647 _object_types.append(
"WeightedSumOfExponential")
650 def _object_cast_to_WeightedSumOfExponential(o):
651 r"""_object_cast_to_WeightedSumOfExponential(Object o) -> WeightedSumOfExponential"""
652 return _IMP_core._object_cast_to_WeightedSumOfExponential(o)
654 _object_types.append(
"KClosePairsPairScore")
657 def _object_cast_to_KClosePairsPairScore(o):
658 r"""_object_cast_to_KClosePairsPairScore(Object o) -> KClosePairsPairScore"""
659 return _IMP_core._object_cast_to_KClosePairsPairScore(o)
661 _object_types.append(
"LeavesRefiner")
664 def _object_cast_to_LeavesRefiner(o):
665 r"""_object_cast_to_LeavesRefiner(Object o) -> LeavesRefiner"""
666 return _IMP_core._object_cast_to_LeavesRefiner(o)
668 _object_types.append(
"Linear")
671 def _object_cast_to_Linear(o):
672 r"""_object_cast_to_Linear(Object o) -> Linear"""
673 return _IMP_core._object_cast_to_Linear(o)
675 _object_types.append(
"LogNormalMover")
678 def _object_cast_to_LogNormalMover(o):
679 r"""_object_cast_to_LogNormalMover(Object o) -> LogNormalMover"""
680 return _IMP_core._object_cast_to_LogNormalMover(o)
682 _object_types.append(
"MCCGSampler")
685 def _object_cast_to_MCCGSampler(o):
686 r"""_object_cast_to_MCCGSampler(Object o) -> MCCGSampler"""
687 return _IMP_core._object_cast_to_MCCGSampler(o)
689 _object_types.append(
"MonteCarlo")
692 def _object_cast_to_MonteCarlo(o):
693 r"""_object_cast_to_MonteCarlo(Object o) -> MonteCarlo"""
694 return _IMP_core._object_cast_to_MonteCarlo(o)
696 _object_types.append(
"MonteCarloWithLocalOptimization")
699 def _object_cast_to_MonteCarloWithLocalOptimization(o):
700 r"""_object_cast_to_MonteCarloWithLocalOptimization(Object o) -> MonteCarloWithLocalOptimization"""
701 return _IMP_core._object_cast_to_MonteCarloWithLocalOptimization(o)
703 _object_types.append(
"MonteCarloWithBasinHopping")
706 def _object_cast_to_MonteCarloWithBasinHopping(o):
707 r"""_object_cast_to_MonteCarloWithBasinHopping(Object o) -> MonteCarloWithBasinHopping"""
708 return _IMP_core._object_cast_to_MonteCarloWithBasinHopping(o)
710 _object_types.append(
"MSConnectivityRestraint")
713 def _object_cast_to_MSConnectivityRestraint(o):
714 r"""_object_cast_to_MSConnectivityRestraint(Object o) -> MSConnectivityRestraint"""
715 return _IMP_core._object_cast_to_MSConnectivityRestraint(o)
717 _object_types.append(
"NeighborsTable")
720 def _object_cast_to_NeighborsTable(o):
721 r"""_object_cast_to_NeighborsTable(Object o) -> NeighborsTable"""
722 return _IMP_core._object_cast_to_NeighborsTable(o)
724 _object_types.append(
"NormalMover")
727 def _object_cast_to_NormalMover(o):
728 r"""_object_cast_to_NormalMover(Object o) -> NormalMover"""
729 return _IMP_core._object_cast_to_NormalMover(o)
731 _object_types.append(
"NormalizedSphereDistancePairScore")
734 def _object_cast_to_NormalizedSphereDistancePairScore(o):
735 r"""_object_cast_to_NormalizedSphereDistancePairScore(Object o) -> NormalizedSphereDistancePairScore"""
736 return _IMP_core._object_cast_to_NormalizedSphereDistancePairScore(o)
738 _object_types.append(
"OpenCubicSpline")
741 def _object_cast_to_OpenCubicSpline(o):
742 r"""_object_cast_to_OpenCubicSpline(Object o) -> OpenCubicSpline"""
743 return _IMP_core._object_cast_to_OpenCubicSpline(o)
745 _object_types.append(
"PairConstraint")
748 def _object_cast_to_PairConstraint(o):
749 r"""_object_cast_to_PairConstraint(Object o) -> PairConstraint"""
750 return _IMP_core._object_cast_to_PairConstraint(o)
752 _object_types.append(
"PairRestraint")
755 def _object_cast_to_PairRestraint(o):
756 r"""_object_cast_to_PairRestraint(Object o) -> PairRestraint"""
757 return _IMP_core._object_cast_to_PairRestraint(o)
759 _object_types.append(
"QuadConstraint")
762 def _object_cast_to_QuadConstraint(o):
763 r"""_object_cast_to_QuadConstraint(Object o) -> QuadConstraint"""
764 return _IMP_core._object_cast_to_QuadConstraint(o)
766 _object_types.append(
"QuadRestraint")
769 def _object_cast_to_QuadRestraint(o):
770 r"""_object_cast_to_QuadRestraint(Object o) -> QuadRestraint"""
771 return _IMP_core._object_cast_to_QuadRestraint(o)
773 _object_types.append(
"QuadraticClosePairsFinder")
776 def _object_cast_to_QuadraticClosePairsFinder(o):
777 r"""_object_cast_to_QuadraticClosePairsFinder(Object o) -> QuadraticClosePairsFinder"""
778 return _IMP_core._object_cast_to_QuadraticClosePairsFinder(o)
780 _object_types.append(
"RefinedPairsPairScore")
783 def _object_cast_to_RefinedPairsPairScore(o):
784 r"""_object_cast_to_RefinedPairsPairScore(Object o) -> RefinedPairsPairScore"""
785 return _IMP_core._object_cast_to_RefinedPairsPairScore(o)
787 _object_types.append(
"RestraintsScoringFunction")
790 def _object_cast_to_RestraintsScoringFunction(o):
791 r"""_object_cast_to_RestraintsScoringFunction(Object o) -> RestraintsScoringFunction"""
792 return _IMP_core._object_cast_to_RestraintsScoringFunction(o)
794 _object_types.append(
"RigidBodyDistancePairScore")
797 def _object_cast_to_RigidBodyDistancePairScore(o):
798 r"""_object_cast_to_RigidBodyDistancePairScore(Object o) -> RigidBodyDistancePairScore"""
799 return _IMP_core._object_cast_to_RigidBodyDistancePairScore(o)
801 _object_types.append(
"RigidBodyAnglePairScore")
804 def _object_cast_to_RigidBodyAnglePairScore(o):
805 r"""_object_cast_to_RigidBodyAnglePairScore(Object o) -> RigidBodyAnglePairScore"""
806 return _IMP_core._object_cast_to_RigidBodyAnglePairScore(o)
808 _object_types.append(
"RigidBodyMover")
811 def _object_cast_to_RigidBodyMover(o):
812 r"""_object_cast_to_RigidBodyMover(Object o) -> RigidBodyMover"""
813 return _IMP_core._object_cast_to_RigidBodyMover(o)
815 _object_types.append(
"RigidBodyTunneler")
818 def _object_cast_to_RigidBodyTunneler(o):
819 r"""_object_cast_to_RigidBodyTunneler(Object o) -> RigidBodyTunneler"""
820 return _IMP_core._object_cast_to_RigidBodyTunneler(o)
822 _object_types.append(
"RigidBodyUmbrella")
825 def _object_cast_to_RigidBodyUmbrella(o):
826 r"""_object_cast_to_RigidBodyUmbrella(Object o) -> RigidBodyUmbrella"""
827 return _IMP_core._object_cast_to_RigidBodyUmbrella(o)
829 _object_types.append(
"_UpdateRigidBodyMembers")
832 def _object_cast_to__UpdateRigidBodyMembers(o):
833 r"""_object_cast_to__UpdateRigidBodyMembers(Object o) -> _UpdateRigidBodyMembers"""
834 return _IMP_core._object_cast_to__UpdateRigidBodyMembers(o)
836 _object_types.append(
"_AccumulateRigidBodyDerivatives")
839 def _object_cast_to__AccumulateRigidBodyDerivatives(o):
840 r"""_object_cast_to__AccumulateRigidBodyDerivatives(Object o) -> _AccumulateRigidBodyDerivatives"""
841 return _IMP_core._object_cast_to__AccumulateRigidBodyDerivatives(o)
843 _object_types.append(
"_RigidBodyNormalizeConstraint")
846 def _object_cast_to__RigidBodyNormalizeConstraint(o):
847 r"""_object_cast_to__RigidBodyNormalizeConstraint(Object o) -> _RigidBodyNormalizeConstraint"""
848 return _IMP_core._object_cast_to__RigidBodyNormalizeConstraint(o)
850 _object_types.append(
"_NormalizeRotation")
853 def _object_cast_to__NormalizeRotation(o):
854 r"""_object_cast_to__NormalizeRotation(Object o) -> _NormalizeRotation"""
855 return _IMP_core._object_cast_to__NormalizeRotation(o)
857 _object_types.append(
"_RigidBodyPositionConstraint")
860 def _object_cast_to__RigidBodyPositionConstraint(o):
861 r"""_object_cast_to__RigidBodyPositionConstraint(Object o) -> _RigidBodyPositionConstraint"""
862 return _IMP_core._object_cast_to__RigidBodyPositionConstraint(o)
864 _object_types.append(
"RigidClosePairsFinder")
867 def _object_cast_to_RigidClosePairsFinder(o):
868 r"""_object_cast_to_RigidClosePairsFinder(Object o) -> RigidClosePairsFinder"""
869 return _IMP_core._object_cast_to_RigidClosePairsFinder(o)
871 _object_types.append(
"RigidMembersRefiner")
874 def _object_cast_to_RigidMembersRefiner(o):
875 r"""_object_cast_to_RigidMembersRefiner(Object o) -> RigidMembersRefiner"""
876 return _IMP_core._object_cast_to_RigidMembersRefiner(o)
878 _object_types.append(
"SingletonConstraint")
881 def _object_cast_to_SingletonConstraint(o):
882 r"""_object_cast_to_SingletonConstraint(Object o) -> SingletonConstraint"""
883 return _IMP_core._object_cast_to_SingletonConstraint(o)
885 _object_types.append(
"SingletonRestraint")
888 def _object_cast_to_SingletonRestraint(o):
889 r"""_object_cast_to_SingletonRestraint(Object o) -> SingletonRestraint"""
890 return _IMP_core._object_cast_to_SingletonRestraint(o)
892 _object_types.append(
"SoftSpherePairScore")
895 def _object_cast_to_SoftSpherePairScore(o):
896 r"""_object_cast_to_SoftSpherePairScore(Object o) -> SoftSpherePairScore"""
897 return _IMP_core._object_cast_to_SoftSpherePairScore(o)
899 _object_types.append(
"_SphereDistancePairScore")
902 def _object_cast_to__SphereDistancePairScore(o):
903 r"""_object_cast_to__SphereDistancePairScore(Object o) -> _SphereDistancePairScore"""
904 return _IMP_core._object_cast_to__SphereDistancePairScore(o)
906 _object_types.append(
"SphereDistanceToSingletonScore")
909 def _object_cast_to_SphereDistanceToSingletonScore(o):
910 r"""_object_cast_to_SphereDistanceToSingletonScore(Object o) -> SphereDistanceToSingletonScore"""
911 return _IMP_core._object_cast_to_SphereDistanceToSingletonScore(o)
913 _object_types.append(
"SoftSubSurfacePairScore")
916 def _object_cast_to_SoftSubSurfacePairScore(o):
917 r"""_object_cast_to_SoftSubSurfacePairScore(Object o) -> SoftSubSurfacePairScore"""
918 return _IMP_core._object_cast_to_SoftSubSurfacePairScore(o)
920 _object_types.append(
"SoftSuperSurfacePairScore")
923 def _object_cast_to_SoftSuperSurfacePairScore(o):
924 r"""_object_cast_to_SoftSuperSurfacePairScore(Object o) -> SoftSuperSurfacePairScore"""
925 return _IMP_core._object_cast_to_SoftSuperSurfacePairScore(o)
927 _object_types.append(
"SurfaceDistancePairScore")
930 def _object_cast_to_SurfaceDistancePairScore(o):
931 r"""_object_cast_to_SurfaceDistancePairScore(Object o) -> SurfaceDistancePairScore"""
932 return _IMP_core._object_cast_to_SurfaceDistancePairScore(o)
934 _object_types.append(
"SurfaceHeightPairScore")
937 def _object_cast_to_SurfaceHeightPairScore(o):
938 r"""_object_cast_to_SurfaceHeightPairScore(Object o) -> SurfaceHeightPairScore"""
939 return _IMP_core._object_cast_to_SurfaceHeightPairScore(o)
941 _object_types.append(
"SurfaceDepthPairScore")
944 def _object_cast_to_SurfaceDepthPairScore(o):
945 r"""_object_cast_to_SurfaceDepthPairScore(Object o) -> SurfaceDepthPairScore"""
946 return _IMP_core._object_cast_to_SurfaceDepthPairScore(o)
948 _object_types.append(
"SurfaceTetheredChain")
951 def _object_cast_to_SurfaceTetheredChain(o):
952 r"""_object_cast_to_SurfaceTetheredChain(Object o) -> SurfaceTetheredChain"""
953 return _IMP_core._object_cast_to_SurfaceTetheredChain(o)
955 _object_types.append(
"SurfaceSymmetryConstraint")
958 def _object_cast_to_SurfaceSymmetryConstraint(o):
959 r"""_object_cast_to_SurfaceSymmetryConstraint(Object o) -> SurfaceSymmetryConstraint"""
960 return _IMP_core._object_cast_to_SurfaceSymmetryConstraint(o)
962 _object_types.append(
"SteepestDescent")
965 def _object_cast_to_SteepestDescent(o):
966 r"""_object_cast_to_SteepestDescent(Object o) -> SteepestDescent"""
967 return _IMP_core._object_cast_to_SteepestDescent(o)
969 _object_types.append(
"TableRefiner")
972 def _object_cast_to_TableRefiner(o):
973 r"""_object_cast_to_TableRefiner(Object o) -> TableRefiner"""
974 return _IMP_core._object_cast_to_TableRefiner(o)
976 _object_types.append(
"Transform")
979 def _object_cast_to_Transform(o):
980 r"""_object_cast_to_Transform(Object o) -> Transform"""
981 return _IMP_core._object_cast_to_Transform(o)
983 _object_types.append(
"TransformationAndReflectionSymmetry")
986 def _object_cast_to_TransformationAndReflectionSymmetry(o):
987 r"""_object_cast_to_TransformationAndReflectionSymmetry(Object o) -> TransformationAndReflectionSymmetry"""
988 return _IMP_core._object_cast_to_TransformationAndReflectionSymmetry(o)
990 _object_types.append(
"TransformationSymmetry")
993 def _object_cast_to_TransformationSymmetry(o):
994 r"""_object_cast_to_TransformationSymmetry(Object o) -> TransformationSymmetry"""
995 return _IMP_core._object_cast_to_TransformationSymmetry(o)
997 _object_types.append(
"TransformationSymmetryMover")
1000 def _object_cast_to_TransformationSymmetryMover(o):
1001 r"""_object_cast_to_TransformationSymmetryMover(Object o) -> TransformationSymmetryMover"""
1002 return _IMP_core._object_cast_to_TransformationSymmetryMover(o)
1004 _object_types.append(
"TransformedDistancePairScore")
1007 def _object_cast_to_TransformedDistancePairScore(o):
1008 r"""_object_cast_to_TransformedDistancePairScore(Object o) -> TransformedDistancePairScore"""
1009 return _IMP_core._object_cast_to_TransformedDistancePairScore(o)
1011 _object_types.append(
"TripletConstraint")
1014 def _object_cast_to_TripletConstraint(o):
1015 r"""_object_cast_to_TripletConstraint(Object o) -> TripletConstraint"""
1016 return _IMP_core._object_cast_to_TripletConstraint(o)
1018 _object_types.append(
"TripletRestraint")
1021 def _object_cast_to_TripletRestraint(o):
1022 r"""_object_cast_to_TripletRestraint(Object o) -> TripletRestraint"""
1023 return _IMP_core._object_cast_to_TripletRestraint(o)
1025 _object_types.append(
"TypedPairScore")
1028 def _object_cast_to_TypedPairScore(o):
1029 r"""_object_cast_to_TypedPairScore(Object o) -> TypedPairScore"""
1030 return _IMP_core._object_cast_to_TypedPairScore(o)
1032 _object_types.append(
"VolumeRestraint")
1035 def _object_cast_to_VolumeRestraint(o):
1036 r"""_object_cast_to_VolumeRestraint(Object o) -> VolumeRestraint"""
1037 return _IMP_core._object_cast_to_VolumeRestraint(o)
1039 _object_types.append(
"WeightedSphereDistancePairScore")
1042 def _object_cast_to_WeightedSphereDistancePairScore(o):
1043 r"""_object_cast_to_WeightedSphereDistancePairScore(Object o) -> WeightedSphereDistancePairScore"""
1044 return _IMP_core._object_cast_to_WeightedSphereDistancePairScore(o)
1046 _object_types.append(
"MoveStatisticsScoreState")
1049 def _object_cast_to_MoveStatisticsScoreState(o):
1050 r"""_object_cast_to_MoveStatisticsScoreState(Object o) -> MoveStatisticsScoreState"""
1051 return _IMP_core._object_cast_to_MoveStatisticsScoreState(o)
1053 _object_types.append(
"MinimumRestraint")
1056 def _object_cast_to_MinimumRestraint(o):
1057 r"""_object_cast_to_MinimumRestraint(Object o) -> MinimumRestraint"""
1058 return _IMP_core._object_cast_to_MinimumRestraint(o)
1060 _object_types.append(
"WriteRestraintScoresOptimizerState")
1063 def _object_cast_to_WriteRestraintScoresOptimizerState(o):
1064 r"""_object_cast_to_WriteRestraintScoresOptimizerState(Object o) -> WriteRestraintScoresOptimizerState"""
1065 return _IMP_core._object_cast_to_WriteRestraintScoresOptimizerState(o)
1067 _object_types.append(
"LateralSurfaceConstraint")
1070 def _object_cast_to_LateralSurfaceConstraint(o):
1071 r"""_object_cast_to_LateralSurfaceConstraint(Object o) -> LateralSurfaceConstraint"""
1072 return _IMP_core._object_cast_to_LateralSurfaceConstraint(o)
1074 _object_types.append(
"ConstantSingletonPredicate")
1077 def _object_cast_to_ConstantSingletonPredicate(o):
1078 r"""_object_cast_to_ConstantSingletonPredicate(Object o) -> ConstantSingletonPredicate"""
1079 return _IMP_core._object_cast_to_ConstantSingletonPredicate(o)
1081 _object_types.append(
"ConstantPairPredicate")
1084 def _object_cast_to_ConstantPairPredicate(o):
1085 r"""_object_cast_to_ConstantPairPredicate(Object o) -> ConstantPairPredicate"""
1086 return _IMP_core._object_cast_to_ConstantPairPredicate(o)
1088 _object_types.append(
"ConstantTripletPredicate")
1091 def _object_cast_to_ConstantTripletPredicate(o):
1092 r"""_object_cast_to_ConstantTripletPredicate(Object o) -> ConstantTripletPredicate"""
1093 return _IMP_core._object_cast_to_ConstantTripletPredicate(o)
1095 _object_types.append(
"ConstantQuadPredicate")
1098 def _object_cast_to_ConstantQuadPredicate(o):
1099 r"""_object_cast_to_ConstantQuadPredicate(Object o) -> ConstantQuadPredicate"""
1100 return _IMP_core._object_cast_to_ConstantQuadPredicate(o)
1102 _object_types.append(
"CoinFlipSingletonPredicate")
1105 def _object_cast_to_CoinFlipSingletonPredicate(o):
1106 r"""_object_cast_to_CoinFlipSingletonPredicate(Object o) -> CoinFlipSingletonPredicate"""
1107 return _IMP_core._object_cast_to_CoinFlipSingletonPredicate(o)
1109 _object_types.append(
"CoinFlipPairPredicate")
1112 def _object_cast_to_CoinFlipPairPredicate(o):
1113 r"""_object_cast_to_CoinFlipPairPredicate(Object o) -> CoinFlipPairPredicate"""
1114 return _IMP_core._object_cast_to_CoinFlipPairPredicate(o)
1116 _object_types.append(
"CoinFlipTripletPredicate")
1119 def _object_cast_to_CoinFlipTripletPredicate(o):
1120 r"""_object_cast_to_CoinFlipTripletPredicate(Object o) -> CoinFlipTripletPredicate"""
1121 return _IMP_core._object_cast_to_CoinFlipTripletPredicate(o)
1123 _object_types.append(
"CoinFlipQuadPredicate")
1126 def _object_cast_to_CoinFlipQuadPredicate(o):
1127 r"""_object_cast_to_CoinFlipQuadPredicate(Object o) -> CoinFlipQuadPredicate"""
1128 return _IMP_core._object_cast_to_CoinFlipQuadPredicate(o)
1130 _object_types.append(
"UnorderedTypeSingletonPredicate")
1133 def _object_cast_to_UnorderedTypeSingletonPredicate(o):
1134 r"""_object_cast_to_UnorderedTypeSingletonPredicate(Object o) -> UnorderedTypeSingletonPredicate"""
1135 return _IMP_core._object_cast_to_UnorderedTypeSingletonPredicate(o)
1137 _object_types.append(
"UnorderedTypePairPredicate")
1140 def _object_cast_to_UnorderedTypePairPredicate(o):
1141 r"""_object_cast_to_UnorderedTypePairPredicate(Object o) -> UnorderedTypePairPredicate"""
1142 return _IMP_core._object_cast_to_UnorderedTypePairPredicate(o)
1144 _object_types.append(
"UnorderedTypeTripletPredicate")
1147 def _object_cast_to_UnorderedTypeTripletPredicate(o):
1148 r"""_object_cast_to_UnorderedTypeTripletPredicate(Object o) -> UnorderedTypeTripletPredicate"""
1149 return _IMP_core._object_cast_to_UnorderedTypeTripletPredicate(o)
1151 _object_types.append(
"UnorderedTypeQuadPredicate")
1154 def _object_cast_to_UnorderedTypeQuadPredicate(o):
1155 r"""_object_cast_to_UnorderedTypeQuadPredicate(Object o) -> UnorderedTypeQuadPredicate"""
1156 return _IMP_core._object_cast_to_UnorderedTypeQuadPredicate(o)
1158 _object_types.append(
"OrderedTypeSingletonPredicate")
1161 def _object_cast_to_OrderedTypeSingletonPredicate(o):
1162 r"""_object_cast_to_OrderedTypeSingletonPredicate(Object o) -> OrderedTypeSingletonPredicate"""
1163 return _IMP_core._object_cast_to_OrderedTypeSingletonPredicate(o)
1165 _object_types.append(
"OrderedTypePairPredicate")
1168 def _object_cast_to_OrderedTypePairPredicate(o):
1169 r"""_object_cast_to_OrderedTypePairPredicate(Object o) -> OrderedTypePairPredicate"""
1170 return _IMP_core._object_cast_to_OrderedTypePairPredicate(o)
1172 _object_types.append(
"OrderedTypeTripletPredicate")
1175 def _object_cast_to_OrderedTypeTripletPredicate(o):
1176 r"""_object_cast_to_OrderedTypeTripletPredicate(Object o) -> OrderedTypeTripletPredicate"""
1177 return _IMP_core._object_cast_to_OrderedTypeTripletPredicate(o)
1179 _object_types.append(
"OrderedTypeQuadPredicate")
1182 def _object_cast_to_OrderedTypeQuadPredicate(o):
1183 r"""_object_cast_to_OrderedTypeQuadPredicate(Object o) -> OrderedTypeQuadPredicate"""
1184 return _IMP_core._object_cast_to_OrderedTypeQuadPredicate(o)
1186 _object_types.append(
"AllSameSingletonPredicate")
1189 def _object_cast_to_AllSameSingletonPredicate(o):
1190 r"""_object_cast_to_AllSameSingletonPredicate(Object o) -> AllSameSingletonPredicate"""
1191 return _IMP_core._object_cast_to_AllSameSingletonPredicate(o)
1193 _object_types.append(
"AllSamePairPredicate")
1196 def _object_cast_to_AllSamePairPredicate(o):
1197 r"""_object_cast_to_AllSamePairPredicate(Object o) -> AllSamePairPredicate"""
1198 return _IMP_core._object_cast_to_AllSamePairPredicate(o)
1200 _object_types.append(
"AllSameTripletPredicate")
1203 def _object_cast_to_AllSameTripletPredicate(o):
1204 r"""_object_cast_to_AllSameTripletPredicate(Object o) -> AllSameTripletPredicate"""
1205 return _IMP_core._object_cast_to_AllSameTripletPredicate(o)
1207 _object_types.append(
"AllSameQuadPredicate")
1210 def _object_cast_to_AllSameQuadPredicate(o):
1211 r"""_object_cast_to_AllSameQuadPredicate(Object o) -> AllSameQuadPredicate"""
1212 return _IMP_core._object_cast_to_AllSameQuadPredicate(o)
1215 return [XYZ(x)
for x
in l]
1216 _plural_types.append(
"XYZs")
1219 _value_types.append(
"XYZ")
1223 return [XYZR(x)
for x
in l]
1224 _plural_types.append(
"XYZRs")
1227 _value_types.append(
"XYZR")
1230 def RigidBodies(l=[]):
1231 return [RigidBody(x)
for x
in l]
1232 _plural_types.append(
"RigidBodies")
1235 _value_types.append(
"RigidBody")
1238 def RigidBodyMembers(l=[]):
1239 return [RigidBodyMember(x)
for x
in l]
1240 _plural_types.append(
"RigidBodyMembers")
1243 _value_types.append(
"RigidBodyMember")
1246 def RigidMembers(l=[]):
1247 return [RigidMember(x)
for x
in l]
1248 _plural_types.append(
"RigidMembers")
1251 _value_types.append(
"RigidMember")
1254 def NonRigidMembers(l=[]):
1255 return [NonRigidMember(x)
for x
in l]
1256 _plural_types.append(
"NonRigidMembers")
1259 _value_types.append(
"NonRigidMember")
1262 def Centroids(l=[]):
1263 return [Centroid(x)
for x
in l]
1264 _plural_types.append(
"Centroids")
1267 _value_types.append(
"Centroid")
1271 return [Cover(x)
for x
in l]
1272 _plural_types.append(
"Covers")
1275 _value_types.append(
"Cover")
1278 def References(l=[]):
1279 return [Reference(x)
for x
in l]
1280 _plural_types.append(
"References")
1283 _value_types.append(
"Reference")
1287 _plural_types.append(
"ParticleTypes")
1288 _value_types.append(
"ParticleType")
1292 return [Typed(x)
for x
in l]
1293 _plural_types.append(
"Typeds")
1296 _value_types.append(
"Typed")
1299 def GenericHierarchies(l=[]):
1300 return [Hierarchy(x)
for x
in l]
1301 _plural_types.append(
"GenericHierarchies")
1304 _value_types.append(
"Hierarchy")
1307 def Gaussians(l=[]):
1308 return [Gaussian(x)
for x
in l]
1309 _plural_types.append(
"Gaussians")
1312 _value_types.append(
"Gaussian")
1315 def Directions(l=[]):
1316 return [Direction(x)
for x
in l]
1317 _plural_types.append(
"Directions")
1320 _value_types.append(
"Direction")
1323 def DirectionAngles(l=[]):
1324 return [DirectionAngle(x)
for x
in l]
1325 _plural_types.append(
"DirectionAngles")
1328 _value_types.append(
"DirectionAngle")
1332 return [Surface(x)
for x
in l]
1333 _plural_types.append(
"Surfaces")
1336 _value_types.append(
"Surface")
1339 def Provenances(l=[]):
1340 return [Provenance(x)
for x
in l]
1341 _plural_types.append(
"Provenances")
1344 _value_types.append(
"Provenance")
1347 def StructureProvenances(l=[]):
1348 return [StructureProvenance(x)
for x
in l]
1349 _plural_types.append(
"StructureProvenances")
1352 _value_types.append(
"StructureProvenance")
1355 def SampleProvenances(l=[]):
1356 return [SampleProvenance(x)
for x
in l]
1357 _plural_types.append(
"SampleProvenances")
1360 _value_types.append(
"SampleProvenance")
1363 def ClusterProvenances(l=[]):
1364 return [ClusterProvenance(x)
for x
in l]
1365 _plural_types.append(
"ClusterProvenances")
1368 _value_types.append(
"ClusterProvenance")
1371 def CombineProvenances(l=[]):
1372 return [CombineProvenance(x)
for x
in l]
1373 _plural_types.append(
"CombineProvenances")
1376 _value_types.append(
"CombineProvenance")
1379 def FilterProvenances(l=[]):
1380 return [FilterProvenance(x)
for x
in l]
1381 _plural_types.append(
"FilterProvenances")
1384 _value_types.append(
"FilterProvenance")
1387 def ScriptProvenances(l=[]):
1388 return [ScriptProvenance(x)
for x
in l]
1389 _plural_types.append(
"ScriptProvenances")
1392 _value_types.append(
"ScriptProvenance")
1395 def SoftwareProvenances(l=[]):
1396 return [SoftwareProvenance(x)
for x
in l]
1397 _plural_types.append(
"SoftwareProvenances")
1400 _value_types.append(
"SoftwareProvenance")
1403 def Provenanceds(l=[]):
1404 return [Provenanced(x)
for x
in l]
1405 _plural_types.append(
"Provenanceds")
1408 _value_types.append(
"Provenanced")
1411 HierarchyCounters=list
1412 _plural_types.append(
"HierarchyCounters")
1413 _value_types.append(
"HierarchyCounter")
1416 HierarchyTraitsList=list
1417 _plural_types.append(
"HierarchyTraitsList")
1418 _value_types.append(
"HierarchyTraits")
1421 _object_types.append(
"TruncatedHarmonicBound")
1424 def _object_cast_to_TruncatedHarmonicBound(o):
1425 r"""_object_cast_to_TruncatedHarmonicBound(Object o) -> TruncatedHarmonicBound"""
1426 return _IMP_core._object_cast_to_TruncatedHarmonicBound(o)
1428 _object_types.append(
"TruncatedHarmonicLowerBound")
1431 def _object_cast_to_TruncatedHarmonicLowerBound(o):
1432 r"""_object_cast_to_TruncatedHarmonicLowerBound(Object o) -> TruncatedHarmonicLowerBound"""
1433 return _IMP_core._object_cast_to_TruncatedHarmonicLowerBound(o)
1435 _object_types.append(
"TruncatedHarmonicUpperBound")
1438 def _object_cast_to_TruncatedHarmonicUpperBound(o):
1439 r"""_object_cast_to_TruncatedHarmonicUpperBound(Object o) -> TruncatedHarmonicUpperBound"""
1440 return _IMP_core._object_cast_to_TruncatedHarmonicUpperBound(o)
1442 _object_types.append(
"HarmonicDistancePairScore")
1445 def _object_cast_to_HarmonicDistancePairScore(o):
1446 r"""_object_cast_to_HarmonicDistancePairScore(Object o) -> HarmonicDistancePairScore"""
1447 return _IMP_core._object_cast_to_HarmonicDistancePairScore(o)
1449 _object_types.append(
"DistancePairScore")
1452 def _object_cast_to_DistancePairScore(o):
1453 r"""_object_cast_to_DistancePairScore(Object o) -> DistancePairScore"""
1454 return _IMP_core._object_cast_to_DistancePairScore(o)
1456 _object_types.append(
"XYZRGeometry")
1459 def _object_cast_to_XYZRGeometry(o):
1460 r"""_object_cast_to_XYZRGeometry(Object o) -> XYZRGeometry"""
1461 return _IMP_core._object_cast_to_XYZRGeometry(o)
1463 _object_types.append(
"XYZRsGeometry")
1466 def _object_cast_to_XYZRsGeometry(o):
1467 r"""_object_cast_to_XYZRsGeometry(Object o) -> XYZRsGeometry"""
1468 return _IMP_core._object_cast_to_XYZRsGeometry(o)
1470 _object_types.append(
"XYZDerivativeGeometry")
1473 def _object_cast_to_XYZDerivativeGeometry(o):
1474 r"""_object_cast_to_XYZDerivativeGeometry(Object o) -> XYZDerivativeGeometry"""
1475 return _IMP_core._object_cast_to_XYZDerivativeGeometry(o)
1477 _object_types.append(
"XYZDerivativesGeometry")
1480 def _object_cast_to_XYZDerivativesGeometry(o):
1481 r"""_object_cast_to_XYZDerivativesGeometry(Object o) -> XYZDerivativesGeometry"""
1482 return _IMP_core._object_cast_to_XYZDerivativesGeometry(o)
1484 _object_types.append(
"RigidBodyDerivativeGeometry")
1487 def _object_cast_to_RigidBodyDerivativeGeometry(o):
1488 r"""_object_cast_to_RigidBodyDerivativeGeometry(Object o) -> RigidBodyDerivativeGeometry"""
1489 return _IMP_core._object_cast_to_RigidBodyDerivativeGeometry(o)
1491 _object_types.append(
"RigidBodyDerivativesGeometry")
1494 def _object_cast_to_RigidBodyDerivativesGeometry(o):
1495 r"""_object_cast_to_RigidBodyDerivativesGeometry(Object o) -> RigidBodyDerivativesGeometry"""
1496 return _IMP_core._object_cast_to_RigidBodyDerivativesGeometry(o)
1498 _object_types.append(
"RigidBodyHierarchyGeometry")
1501 def _object_cast_to_RigidBodyHierarchyGeometry(o):
1502 r"""_object_cast_to_RigidBodyHierarchyGeometry(Object o) -> RigidBodyHierarchyGeometry"""
1503 return _IMP_core._object_cast_to_RigidBodyHierarchyGeometry(o)
1505 _object_types.append(
"RigidBodyFrameGeometry")
1508 def _object_cast_to_RigidBodyFrameGeometry(o):
1509 r"""_object_cast_to_RigidBodyFrameGeometry(Object o) -> RigidBodyFrameGeometry"""
1510 return _IMP_core._object_cast_to_RigidBodyFrameGeometry(o)
1512 _object_types.append(
"RigidBodyFramesGeometry")
1515 def _object_cast_to_RigidBodyFramesGeometry(o):
1516 r"""_object_cast_to_RigidBodyFramesGeometry(Object o) -> RigidBodyFramesGeometry"""
1517 return _IMP_core._object_cast_to_RigidBodyFramesGeometry(o)
1519 _object_types.append(
"RigidBodyTorque")
1522 def _object_cast_to_RigidBodyTorque(o):
1523 r"""_object_cast_to_RigidBodyTorque(Object o) -> RigidBodyTorque"""
1524 return _IMP_core._object_cast_to_RigidBodyTorque(o)
1526 _object_types.append(
"EdgePairGeometry")
1529 def _object_cast_to_EdgePairGeometry(o):
1530 r"""_object_cast_to_EdgePairGeometry(Object o) -> EdgePairGeometry"""
1531 return _IMP_core._object_cast_to_EdgePairGeometry(o)
1533 _object_types.append(
"EdgePairsGeometry")
1536 def _object_cast_to_EdgePairsGeometry(o):
1537 r"""_object_cast_to_EdgePairsGeometry(Object o) -> EdgePairsGeometry"""
1538 return _IMP_core._object_cast_to_EdgePairsGeometry(o)
1540 _object_types.append(
"SurfaceGeometry")
1543 def _object_cast_to_SurfaceGeometry(o):
1544 r"""_object_cast_to_SurfaceGeometry(Object o) -> SurfaceGeometry"""
1545 return _IMP_core._object_cast_to_SurfaceGeometry(o)
1547 _object_types.append(
"SurfaceGeometryConstraint")
1550 def _object_cast_to_SurfaceGeometryConstraint(o):
1551 r"""_object_cast_to_SurfaceGeometryConstraint(Object o) -> SurfaceGeometryConstraint"""
1552 return _IMP_core._object_cast_to_SurfaceGeometryConstraint(o)
1554 _object_types.append(
"AttributeSingletonPredicate")
1557 def _object_cast_to_AttributeSingletonPredicate(o):
1558 r"""_object_cast_to_AttributeSingletonPredicate(Object o) -> AttributeSingletonPredicate"""
1559 return _IMP_core._object_cast_to_AttributeSingletonPredicate(o)
1561 _object_types.append(
"InBoundingBox3DSingletonPredicate")
1564 def _object_cast_to_InBoundingBox3DSingletonPredicate(o):
1565 r"""_object_cast_to_InBoundingBox3DSingletonPredicate(Object o) -> InBoundingBox3DSingletonPredicate"""
1566 return _IMP_core._object_cast_to_InBoundingBox3DSingletonPredicate(o)
1568 _object_types.append(
"IsCollisionPairPredicate")
1571 def _object_cast_to_IsCollisionPairPredicate(o):
1572 r"""_object_cast_to_IsCollisionPairPredicate(Object o) -> IsCollisionPairPredicate"""
1573 return _IMP_core._object_cast_to_IsCollisionPairPredicate(o)
1575 BinormalTermList=list
1576 _plural_types.append(
"BinormalTermList")
1577 _value_types.append(
"BinormalTerm")
1580 _object_types.append(
"MultipleBinormalRestraint")
1583 def _object_cast_to_MultipleBinormalRestraint(o):
1584 r"""_object_cast_to_MultipleBinormalRestraint(Object o) -> MultipleBinormalRestraint"""
1585 return _IMP_core._object_cast_to_MultipleBinormalRestraint(o)
1586 class ClosePairsFinder(IMP._ParticleInputs,
IMP.Object):
1587 r"""Proxy of C++ IMP::core::ClosePairsFinder class."""
1589 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1591 def __init__(self, *args, **kwargs):
1592 raise AttributeError(
"No constructor defined - class is abstract")
1593 __swig_destroy__ = _IMP_core.delete_ClosePairsFinder
1595 def get_close_pairs(self, *args):
1597 get_close_pairs(ClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
1598 get_close_pairs(ClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
1599 get_close_pairs(ClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
1600 get_close_pairs(ClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
1602 return _IMP_core.ClosePairsFinder_get_close_pairs(self, *args)
1604 def set_distance(self, d):
1605 r"""set_distance(ClosePairsFinder self, double d)"""
1606 return _IMP_core.ClosePairsFinder_set_distance(self, d)
1609 r"""get_distance(ClosePairsFinder self) -> double"""
1610 return _IMP_core.ClosePairsFinder_get_distance(self)
1611 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)
1612 def __set_pair_filters(self, obj): IMP._list_util.set_varlist(self.pair_filters, obj)
1613 def __del_pair_filters(self): IMP._list_util.del_varlist(self.pair_filters)
1614 pair_filters = property(__get_pair_filters, __set_pair_filters, __del_pair_filters, doc=
"List of ##ucnames")
1616 def remove_pair_filter(self, d):
1617 r"""remove_pair_filter(ClosePairsFinder self, PairPredicate d)"""
1618 return _IMP_core.ClosePairsFinder_remove_pair_filter(self, d)
1620 def _python_index_pair_filter(self, d, start, stop):
1621 r"""_python_index_pair_filter(ClosePairsFinder self, PairPredicate d, unsigned int start, unsigned int stop) -> unsigned int"""
1622 return _IMP_core.ClosePairsFinder__python_index_pair_filter(self, d, start, stop)
1624 def remove_pair_filters(self, d):
1625 r"""remove_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & d)"""
1626 return _IMP_core.ClosePairsFinder_remove_pair_filters(self, d)
1628 def set_pair_filters(self, ps):
1629 r"""set_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & ps)"""
1630 return _IMP_core.ClosePairsFinder_set_pair_filters(self, ps)
1632 def set_pair_filters_order(self, objs):
1633 r"""set_pair_filters_order(ClosePairsFinder self, IMP::PairPredicates const & objs)"""
1634 return _IMP_core.ClosePairsFinder_set_pair_filters_order(self, objs)
1636 def add_pair_filter(self, obj):
1637 r"""add_pair_filter(ClosePairsFinder self, PairPredicate obj) -> unsigned int"""
1638 return _IMP_core.ClosePairsFinder_add_pair_filter(self, obj)
1640 def add_pair_filters(self, objs):
1641 r"""add_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & objs)"""
1642 return _IMP_core.ClosePairsFinder_add_pair_filters(self, objs)
1644 def clear_pair_filters(self):
1645 r"""clear_pair_filters(ClosePairsFinder self)"""
1646 return _IMP_core.ClosePairsFinder_clear_pair_filters(self)
1648 def get_number_of_pair_filters(self):
1649 r"""get_number_of_pair_filters(ClosePairsFinder self) -> unsigned int"""
1650 return _IMP_core.ClosePairsFinder_get_number_of_pair_filters(self)
1652 def get_has_pair_filters(self):
1653 r"""get_has_pair_filters(ClosePairsFinder self) -> bool"""
1654 return _IMP_core.ClosePairsFinder_get_has_pair_filters(self)
1656 def get_pair_filter(self, i):
1657 r"""get_pair_filter(ClosePairsFinder self, unsigned int i) -> PairPredicate"""
1658 return _IMP_core.ClosePairsFinder_get_pair_filter(self, i)
1660 def get_pair_filters(self):
1661 r"""get_pair_filters(ClosePairsFinder self) -> IMP::PairPredicates"""
1662 return _IMP_core.ClosePairsFinder_get_pair_filters(self)
1664 def erase_pair_filter(self, i):
1665 r"""erase_pair_filter(ClosePairsFinder self, unsigned int i)"""
1666 return _IMP_core.ClosePairsFinder_erase_pair_filter(self, i)
1668 def reserve_pair_filters(self, sz):
1669 r"""reserve_pair_filters(ClosePairsFinder self, unsigned int sz)"""
1670 return _IMP_core.ClosePairsFinder_reserve_pair_filters(self, sz)
1673 r"""__str__(ClosePairsFinder self) -> std::string"""
1674 return _IMP_core.ClosePairsFinder___str__(self)
1677 r"""__repr__(ClosePairsFinder self) -> std::string"""
1678 return _IMP_core.ClosePairsFinder___repr__(self)
1682 return _object_cast_to_ClosePairsFinder(o)
1686 _IMP_core.ClosePairsFinder_swigregister(ClosePairsFinder)
1687 class MonteCarloMoverResult(IMP._Value):
1688 r"""Proxy of C++ IMP::core::MonteCarloMoverResult class."""
1690 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1692 def __init__(self, *args):
1693 r"""__init__(MonteCarloMoverResult self, IMP::ParticleIndexes i0=IMP::ParticleIndexes(), double i1=double()) -> MonteCarloMoverResult"""
1694 _IMP_core.MonteCarloMoverResult_swiginit(self, _IMP_core.new_MonteCarloMoverResult(*args))
1697 r"""__hash__(MonteCarloMoverResult self) -> std::size_t"""
1698 return _IMP_core.MonteCarloMoverResult___hash__(self)
1700 def show(self, *args):
1701 r"""show(MonteCarloMoverResult self, _ostream out=std::cout)"""
1702 return _IMP_core.MonteCarloMoverResult_show(self, *args)
1704 def __cmp__(self, o):
1705 r"""__cmp__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> int"""
1706 return _IMP_core.MonteCarloMoverResult___cmp__(self, o)
1708 def __eq__(self, o):
1709 r"""__eq__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1710 return _IMP_core.MonteCarloMoverResult___eq__(self, o)
1712 def __ne__(self, o):
1713 r"""__ne__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1714 return _IMP_core.MonteCarloMoverResult___ne__(self, o)
1716 def __lt__(self, o):
1717 r"""__lt__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1718 return _IMP_core.MonteCarloMoverResult___lt__(self, o)
1720 def __gt__(self, o):
1721 r"""__gt__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1722 return _IMP_core.MonteCarloMoverResult___gt__(self, o)
1724 def __ge__(self, o):
1725 r"""__ge__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1726 return _IMP_core.MonteCarloMoverResult___ge__(self, o)
1728 def __le__(self, o):
1729 r"""__le__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1730 return _IMP_core.MonteCarloMoverResult___le__(self, o)
1732 def get_moved_particles(self):
1733 r"""get_moved_particles(MonteCarloMoverResult self) -> IMP::ParticleIndexes const &"""
1734 return _IMP_core.MonteCarloMoverResult_get_moved_particles(self)
1736 def set_moved_particles(self, v):
1737 r"""set_moved_particles(MonteCarloMoverResult self, IMP::ParticleIndexes const & v)"""
1738 return _IMP_core.MonteCarloMoverResult_set_moved_particles(self, v)
1740 def get_proposal_ratio(self):
1741 r"""get_proposal_ratio(MonteCarloMoverResult self) -> double const &"""
1742 return _IMP_core.MonteCarloMoverResult_get_proposal_ratio(self)
1744 def set_proposal_ratio(self, v):
1745 r"""set_proposal_ratio(MonteCarloMoverResult self, double const & v)"""
1746 return _IMP_core.MonteCarloMoverResult_set_proposal_ratio(self, v)
1749 r"""__str__(MonteCarloMoverResult self) -> std::string"""
1750 return _IMP_core.MonteCarloMoverResult___str__(self)
1753 r"""__repr__(MonteCarloMoverResult self) -> std::string"""
1754 return _IMP_core.MonteCarloMoverResult___repr__(self)
1755 __swig_destroy__ = _IMP_core.delete_MonteCarloMoverResult
1758 _IMP_core.MonteCarloMoverResult_swigregister(MonteCarloMoverResult)
1760 r"""Proxy of C++ IMP::core::MonteCarloMover class."""
1762 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1764 def __init__(self, *args):
1766 __init__(MonteCarloMover self, Model m, std::string name) -> MonteCarloMover
1767 __init__(MonteCarloMover self) -> MonteCarloMover
1769 if self.__class__ == MonteCarloMover:
1773 _IMP_core.MonteCarloMover_swiginit(self, _IMP_core.new_MonteCarloMover(_self, *args))
1775 if self.__class__ != MonteCarloMover:
1776 _director_objects.register(self)
1782 r"""propose(MonteCarloMover self) -> MonteCarloMoverResult"""
1783 return _IMP_core.MonteCarloMover_propose(self)
1786 r"""reject(MonteCarloMover self)"""
1787 return _IMP_core.MonteCarloMover_reject(self)
1790 r"""accept(MonteCarloMover self)"""
1791 return _IMP_core.MonteCarloMover_accept(self)
1793 def get_number_of_proposed(self):
1794 r"""get_number_of_proposed(MonteCarloMover self) -> unsigned int"""
1795 return _IMP_core.MonteCarloMover_get_number_of_proposed(self)
1797 def get_number_of_accepted(self):
1798 r"""get_number_of_accepted(MonteCarloMover self) -> unsigned int"""
1799 return _IMP_core.MonteCarloMover_get_number_of_accepted(self)
1801 def reset_statistics(self):
1802 r"""reset_statistics(MonteCarloMover self)"""
1803 return _IMP_core.MonteCarloMover_reset_statistics(self)
1805 def add_to_statistics(self, num_proposed, num_rejected):
1806 r"""add_to_statistics(MonteCarloMover self, unsigned int num_proposed, unsigned int num_rejected)"""
1807 return _IMP_core.MonteCarloMover_add_to_statistics(self, num_proposed, num_rejected)
1809 def do_propose(self):
1810 r"""do_propose(MonteCarloMover self) -> MonteCarloMoverResult"""
1811 return _IMP_core.MonteCarloMover_do_propose(self)
1813 def do_reject(self):
1814 r"""do_reject(MonteCarloMover self)"""
1815 return _IMP_core.MonteCarloMover_do_reject(self)
1817 def do_accept(self):
1818 r"""do_accept(MonteCarloMover self)"""
1819 return _IMP_core.MonteCarloMover_do_accept(self)
1821 def do_get_outputs(self):
1822 r"""do_get_outputs(MonteCarloMover self) -> IMP::ModelObjectsTemp"""
1823 return _IMP_core.MonteCarloMover_do_get_outputs(self)
1826 r"""__str__(MonteCarloMover self) -> std::string"""
1827 return _IMP_core.MonteCarloMover___str__(self)
1830 r"""__repr__(MonteCarloMover self) -> std::string"""
1831 return _IMP_core.MonteCarloMover___repr__(self)
1835 return _object_cast_to_MonteCarloMover(o)
1838 def do_show(self, out):
1843 return _object_cast_to_MonteCarloMover(o)
1847 """Return a JAX implementation of this mover.
1848 Implement this method in a MonteCarloMover subclass to provide
1849 equivalent functionality using [JAX](https://docs.jax.dev/).
1850 See _wrap_jax for more information.
1852 raise NotImplementedError(f
"No JAX implementation for {self}")
1854 def _wrap_jax(self, init_func, propose_func, accept_func=None,
1855 sync_func=
None, keys=
None):
1856 """Create the return value for _get_jax.
1857 Use this method in _get_jax() to wrap the JAX functions
1858 with other mover-specific information.
1860 @param init_func a JAX function which is used to initialize this
1861 mover. It is called with a single argument, a fresh JAX
1862 random key, and should return a persistent state object.
1863 This object may be the key itself, or any other Python object
1864 that JAX understands.
1865 @param propose_func a JAX function which is called with the current
1866 JAX Model and the mover's persistent state object.
1867 It should return a new JAX Model with the move applied,
1868 a new persistent state, and the proposal ratio. If the move
1869 is rejected then the new JAX Model will be discarded.
1870 However, the mover's persistent state is updated for both
1871 accepted and rejected moves.
1872 @param accept_func if provided, a JAX function which is called
1873 after each accepted Monte Carlo move, with the persistent
1874 state object. It should return a new persistent state.
1875 @param sync_func If provided, a Python function which is called
1876 at the end of a Monte Carlo sampling run to sync mover
1877 data back to IMP. It is called with the persistent state
1878 and the IMP Mover object.
1879 @param keys If given, a set of IMP::Key objects describing Model
1880 attributes (other than xyz and radius) that are altered
1883 from IMP.core._jax_util
import JAXMoverInfo
1884 return JAXMoverInfo(init_func, propose_func, accept_func, sync_func,
1887 __swig_destroy__ = _IMP_core.delete_MonteCarloMover
1888 def __disown__(self):
1890 _IMP_core.disown_MonteCarloMover(self)
1891 return weakref.proxy(self)
1893 def do_destroy(self):
1894 r"""do_destroy(MonteCarloMover self)"""
1895 return _IMP_core.MonteCarloMover_do_destroy(self)
1897 def handle_set_has_required_score_states(self, arg0):
1898 r"""handle_set_has_required_score_states(MonteCarloMover self, bool arg0)"""
1899 return _IMP_core.MonteCarloMover_handle_set_has_required_score_states(self, arg0)
1901 def do_get_inputs(self):
1902 r"""do_get_inputs(MonteCarloMover self) -> IMP::ModelObjectsTemp"""
1903 return _IMP_core.MonteCarloMover_do_get_inputs(self)
1905 def do_get_interactions(self):
1906 r"""do_get_interactions(MonteCarloMover self) -> IMP::ModelObjectsTemps"""
1907 return _IMP_core.MonteCarloMover_do_get_interactions(self)
1910 _IMP_core.MonteCarloMover_swigregister(MonteCarloMover)
1912 r"""Proxy of C++ IMP::core::XYZ class."""
1914 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1917 def get_coordinate_key(i):
1918 r"""get_coordinate_key(unsigned int i) -> FloatKey"""
1919 return _IMP_core.XYZ_get_coordinate_key(i)
1921 def __init__(self, *args):
1923 __init__(XYZ self) -> XYZ
1924 __init__(XYZ self, Model m, ParticleIndex id) -> XYZ
1925 __init__(XYZ self, _ParticleAdaptor d) -> XYZ
1927 _IMP_core.XYZ_swiginit(self, _IMP_core.new_XYZ(*args))
1929 def show(self, *args):
1930 r"""show(XYZ self, _ostream out=std::cout)"""
1931 return _IMP_core.XYZ_show(self, *args)
1934 def setup_particle(*args):
1936 setup_particle(Model m, ParticleIndex pi) -> XYZ
1937 setup_particle(_ParticleAdaptor pa) -> XYZ
1938 setup_particle(Model m, ParticleIndex pi, Vector3D v) -> XYZ
1939 setup_particle(_ParticleAdaptor pa, Vector3D v) -> XYZ
1941 return _IMP_core.XYZ_setup_particle(*args)
1944 r"""get_x(XYZ self) -> IMP::Float"""
1945 return _IMP_core.XYZ_get_x(self)
1948 r"""set_x(XYZ self, IMP::Float t)"""
1949 return _IMP_core.XYZ_set_x(self, t)
1952 r"""get_y(XYZ self) -> IMP::Float"""
1953 return _IMP_core.XYZ_get_y(self)
1956 r"""set_y(XYZ self, IMP::Float t)"""
1957 return _IMP_core.XYZ_set_y(self, t)
1960 r"""get_z(XYZ self) -> IMP::Float"""
1961 return _IMP_core.XYZ_get_z(self)
1964 r"""set_z(XYZ self, IMP::Float t)"""
1965 return _IMP_core.XYZ_set_z(self, t)
1967 def set_coordinate(self, i, v):
1968 r"""set_coordinate(XYZ self, unsigned int i, IMP::Float v)"""
1969 return _IMP_core.XYZ_set_coordinate(self, i, v)
1971 def set_coordinates(self, v):
1972 r"""set_coordinates(XYZ self, Vector3D v)"""
1973 return _IMP_core.XYZ_set_coordinates(self, v)
1975 def get_coordinate(self, i):
1976 r"""get_coordinate(XYZ self, int i) -> IMP::Float"""
1977 return _IMP_core.XYZ_get_coordinate(self, i)
1979 def add_to_derivatives(self, v, d):
1980 r"""add_to_derivatives(XYZ self, Vector3D v, DerivativeAccumulator d)"""
1981 return _IMP_core.XYZ_add_to_derivatives(self, v, d)
1983 def get_coordinates_are_optimized(self):
1984 r"""get_coordinates_are_optimized(XYZ self) -> bool"""
1985 return _IMP_core.XYZ_get_coordinates_are_optimized(self)
1987 def set_coordinates_are_optimized(self, tf):
1988 r"""set_coordinates_are_optimized(XYZ self, bool tf)"""
1989 return _IMP_core.XYZ_set_coordinates_are_optimized(self, tf)
1991 def get_vector_to(self, b):
1992 r"""get_vector_to(XYZ self, XYZ b) -> Vector3D"""
1993 return _IMP_core.XYZ_get_vector_to(self, b)
1995 def get_coordinates(self):
1996 r"""get_coordinates(XYZ self) -> Vector3D"""
1997 return _IMP_core.XYZ_get_coordinates(self)
1999 def get_derivatives(self):
2000 r"""get_derivatives(XYZ self) -> Vector3D"""
2001 return _IMP_core.XYZ_get_derivatives(self)
2004 def get_is_setup(*args):
2006 get_is_setup(_ParticleAdaptor p) -> bool
2007 get_is_setup(Model m, ParticleIndex pi) -> bool
2009 return _IMP_core.XYZ_get_is_setup(*args)
2013 r"""get_xyz_keys() -> IMP::FloatKeys const &"""
2014 return _IMP_core.XYZ_get_xyz_keys()
2016 def add_attribute(self, *args):
2018 add_attribute(XYZ self, FloatKey k, IMP::Float v, bool opt)
2019 add_attribute(XYZ self, FloatKey a0, IMP::Float a1)
2020 add_attribute(XYZ self, IntKey a0, IMP::Int a1)
2021 add_attribute(XYZ self, FloatsKey a0, IMP::Floats a1)
2022 add_attribute(XYZ self, IntsKey a0, IMP::Ints a1)
2023 add_attribute(XYZ self, StringKey a0, IMP::String a1)
2024 add_attribute(XYZ self, ParticleIndexKey a0, Particle a1)
2025 add_attribute(XYZ self, ObjectKey a0, Object a1)
2026 add_attribute(XYZ self, SparseFloatKey a0, IMP::Float a1)
2027 add_attribute(XYZ self, SparseIntKey a0, IMP::Int a1)
2028 add_attribute(XYZ self, SparseStringKey a0, IMP::String a1)
2029 add_attribute(XYZ self, SparseParticleIndexKey a0, ParticleIndex a1)
2031 return _IMP_core.XYZ_add_attribute(self, *args)
2033 def get_value(self, *args):
2035 get_value(XYZ self, FloatKey a0) -> IMP::Float
2036 get_value(XYZ self, IntKey a0) -> IMP::Int
2037 get_value(XYZ self, FloatsKey a0) -> IMP::Floats
2038 get_value(XYZ self, IntsKey a0) -> IMP::Ints
2039 get_value(XYZ self, StringKey a0) -> IMP::String
2040 get_value(XYZ self, ParticleIndexKey a0) -> Particle
2041 get_value(XYZ self, ObjectKey a0) -> Object
2042 get_value(XYZ self, SparseFloatKey a0) -> IMP::Float
2043 get_value(XYZ self, SparseIntKey a0) -> IMP::Int
2044 get_value(XYZ self, SparseStringKey a0) -> IMP::String
2045 get_value(XYZ self, SparseParticleIndexKey a0) -> ParticleIndex
2047 return _IMP_core.XYZ_get_value(self, *args)
2049 def set_value(self, *args):
2051 set_value(XYZ self, FloatKey a0, IMP::Float a1)
2052 set_value(XYZ self, IntKey a0, IMP::Int a1)
2053 set_value(XYZ self, FloatsKey a0, IMP::Floats a1)
2054 set_value(XYZ self, IntsKey a0, IMP::Ints a1)
2055 set_value(XYZ self, StringKey a0, IMP::String a1)
2056 set_value(XYZ self, ParticleIndexKey a0, Particle a1)
2057 set_value(XYZ self, ObjectKey a0, Object a1)
2058 set_value(XYZ self, SparseFloatKey a0, IMP::Float a1)
2059 set_value(XYZ self, SparseIntKey a0, IMP::Int a1)
2060 set_value(XYZ self, SparseStringKey a0, IMP::String a1)
2061 set_value(XYZ self, SparseParticleIndexKey a0, ParticleIndex a1)
2063 return _IMP_core.XYZ_set_value(self, *args)
2065 def remove_attribute(self, *args):
2067 remove_attribute(XYZ self, FloatKey a0)
2068 remove_attribute(XYZ self, IntKey a0)
2069 remove_attribute(XYZ self, FloatsKey a0)
2070 remove_attribute(XYZ self, IntsKey a0)
2071 remove_attribute(XYZ self, StringKey a0)
2072 remove_attribute(XYZ self, ParticleIndexKey a0)
2073 remove_attribute(XYZ self, ObjectKey a0)
2074 remove_attribute(XYZ self, SparseFloatKey a0)
2075 remove_attribute(XYZ self, SparseIntKey a0)
2076 remove_attribute(XYZ self, SparseStringKey a0)
2077 remove_attribute(XYZ self, SparseParticleIndexKey a0)
2079 return _IMP_core.XYZ_remove_attribute(self, *args)
2081 def has_attribute(self, *args):
2083 has_attribute(XYZ self, FloatKey a0) -> bool
2084 has_attribute(XYZ self, IntKey a0) -> bool
2085 has_attribute(XYZ self, FloatsKey a0) -> bool
2086 has_attribute(XYZ self, IntsKey a0) -> bool
2087 has_attribute(XYZ self, StringKey a0) -> bool
2088 has_attribute(XYZ self, ParticleIndexKey a0) -> bool
2089 has_attribute(XYZ self, ObjectKey a0) -> bool
2090 has_attribute(XYZ self, SparseFloatKey a0) -> bool
2091 has_attribute(XYZ self, SparseIntKey a0) -> bool
2092 has_attribute(XYZ self, SparseStringKey a0) -> bool
2093 has_attribute(XYZ self, SparseParticleIndexKey a0) -> bool
2095 return _IMP_core.XYZ_has_attribute(self, *args)
2097 def get_derivative(self, *args):
2099 get_derivative(XYZ self, int i) -> IMP::Float
2100 get_derivative(XYZ self, FloatKey a0) -> double
2102 return _IMP_core.XYZ_get_derivative(self, *args)
2105 r"""get_name(XYZ self) -> std::string"""
2106 return _IMP_core.XYZ_get_name(self)
2108 def clear_caches(self):
2109 r"""clear_caches(XYZ self)"""
2110 return _IMP_core.XYZ_clear_caches(self)
2112 def set_name(self, a0):
2113 r"""set_name(XYZ self, std::string a0)"""
2114 return _IMP_core.XYZ_set_name(self, a0)
2117 r"""set_check_level(XYZ self, IMP::CheckLevel a0)"""
2118 return _IMP_core.XYZ_set_check_level(self, a0)
2120 def add_to_derivative(self, *args):
2122 add_to_derivative(XYZ self, int i, IMP::Float v, DerivativeAccumulator d)
2123 add_to_derivative(XYZ self, FloatKey a0, double a1, DerivativeAccumulator a2)
2125 return _IMP_core.XYZ_add_to_derivative(self, *args)
2127 def set_is_optimized(self, a0, a1):
2128 r"""set_is_optimized(XYZ self, FloatKey a0, bool a1)"""
2129 return _IMP_core.XYZ_set_is_optimized(self, a0, a1)
2131 def get_is_optimized(self, a0):
2132 r"""get_is_optimized(XYZ self, FloatKey a0) -> bool"""
2133 return _IMP_core.XYZ_get_is_optimized(self, a0)
2136 r"""get_check_level(XYZ self) -> IMP::CheckLevel"""
2137 return _IMP_core.XYZ_get_check_level(self)
2139 def __eq__(self, *args):
2141 __eq__(XYZ self, XYZ o) -> bool
2142 __eq__(XYZ self, Particle d) -> bool
2144 return _IMP_core.XYZ___eq__(self, *args)
2146 def __ne__(self, *args):
2148 __ne__(XYZ self, XYZ o) -> bool
2149 __ne__(XYZ self, Particle d) -> bool
2151 return _IMP_core.XYZ___ne__(self, *args)
2153 def __le__(self, *args):
2155 __le__(XYZ self, XYZ o) -> bool
2156 __le__(XYZ self, Particle d) -> bool
2158 return _IMP_core.XYZ___le__(self, *args)
2160 def __lt__(self, *args):
2162 __lt__(XYZ self, XYZ o) -> bool
2163 __lt__(XYZ self, Particle d) -> bool
2165 return _IMP_core.XYZ___lt__(self, *args)
2167 def __ge__(self, *args):
2169 __ge__(XYZ self, XYZ o) -> bool
2170 __ge__(XYZ self, Particle d) -> bool
2172 return _IMP_core.XYZ___ge__(self, *args)
2174 def __gt__(self, *args):
2176 __gt__(XYZ self, XYZ o) -> bool
2177 __gt__(XYZ self, Particle d) -> bool
2179 return _IMP_core.XYZ___gt__(self, *args)
2182 r"""__hash__(XYZ self) -> std::size_t"""
2183 return _IMP_core.XYZ___hash__(self)
2186 r"""__str__(XYZ self) -> std::string"""
2187 return _IMP_core.XYZ___str__(self)
2190 r"""__repr__(XYZ self) -> std::string"""
2191 return _IMP_core.XYZ___repr__(self)
2193 def _get_as_binary(self):
2194 r"""_get_as_binary(XYZ self) -> PyObject *"""
2195 return _IMP_core.XYZ__get_as_binary(self)
2197 def _set_from_binary(self, p):
2198 r"""_set_from_binary(XYZ self, PyObject * p)"""
2199 return _IMP_core.XYZ__set_from_binary(self, p)
2201 def __getstate__(self):
2202 p = self._get_as_binary()
2203 if len(self.__dict__) > 1:
2204 d = self.__dict__.copy()
2209 def __setstate__(self, p):
2210 if not hasattr(self,
'this'):
2212 if isinstance(p, tuple):
2214 self.__dict__.update(d)
2215 return self._set_from_binary(p)
2217 __swig_destroy__ = _IMP_core.delete_XYZ
2220 _IMP_core.XYZ_swigregister(XYZ)
2223 r"""set_vector_geometry(XYZ d, Vector3D v)"""
2224 return _IMP_core.set_vector_geometry(d, v)
2227 r"""get_vector_geometry(XYZ d) -> Vector3D"""
2228 return _IMP_core.get_vector_geometry(d)
2231 r"""get_dihedral(XYZ a, XYZ b, XYZ c, XYZ d) -> double"""
2232 return _IMP_core.get_dihedral(a, b, c, d)
2234 r"""Proxy of C++ IMP::core::XYZR class."""
2236 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2238 def __init__(self, *args):
2240 __init__(XYZR self) -> XYZR
2241 __init__(XYZR self, Model m, ParticleIndex id) -> XYZR
2242 __init__(XYZR self, _ParticleAdaptor d) -> XYZR
2244 _IMP_core.XYZR_swiginit(self, _IMP_core.new_XYZR(*args))
2246 def show(self, *args):
2247 r"""show(XYZR self, _ostream out=std::cout)"""
2248 return _IMP_core.XYZR_show(self, *args)
2251 def setup_particle(*args):
2253 setup_particle(Model m, ParticleIndex pi) -> XYZR
2254 setup_particle(_ParticleAdaptor pa) -> XYZR
2255 setup_particle(Model m, ParticleIndex pi, IMP::Float radius) -> XYZR
2256 setup_particle(_ParticleAdaptor pa, IMP::Float radius) -> XYZR
2257 setup_particle(Model m, ParticleIndex pi, Sphere3D ball) -> XYZR
2258 setup_particle(_ParticleAdaptor pa, Sphere3D ball) -> XYZR
2260 return _IMP_core.XYZR_setup_particle(*args)
2263 def get_is_setup(*args):
2265 get_is_setup(_ParticleAdaptor p) -> bool
2266 get_is_setup(Model m, ParticleIndex pi) -> bool
2268 return _IMP_core.XYZR_get_is_setup(*args)
2270 def get_radius(self):
2271 r"""get_radius(XYZR self) -> double"""
2272 return _IMP_core.XYZR_get_radius(self)
2274 def set_radius(self, r):
2275 r"""set_radius(XYZR self, double r)"""
2276 return _IMP_core.XYZR_set_radius(self, r)
2278 def get_sphere(self):
2279 r"""get_sphere(XYZR self) -> Sphere3D"""
2280 return _IMP_core.XYZR_get_sphere(self)
2282 def set_sphere(self, s):
2283 r"""set_sphere(XYZR self, Sphere3D s)"""
2284 return _IMP_core.XYZR_set_sphere(self, s)
2287 def get_radius_key():
2288 r"""get_radius_key() -> FloatKey"""
2289 return _IMP_core.XYZR_get_radius_key()
2291 def add_to_radius_derivative(self, v, d):
2292 r"""add_to_radius_derivative(XYZR self, double v, DerivativeAccumulator d)"""
2293 return _IMP_core.XYZR_add_to_radius_derivative(self, v, d)
2295 def add_attribute(self, *args):
2297 add_attribute(XYZR self, FloatKey k, IMP::Float v, bool opt)
2298 add_attribute(XYZR self, FloatKey a0, IMP::Float a1)
2299 add_attribute(XYZR self, IntKey a0, IMP::Int a1)
2300 add_attribute(XYZR self, FloatsKey a0, IMP::Floats a1)
2301 add_attribute(XYZR self, IntsKey a0, IMP::Ints a1)
2302 add_attribute(XYZR self, StringKey a0, IMP::String a1)
2303 add_attribute(XYZR self, ParticleIndexKey a0, Particle a1)
2304 add_attribute(XYZR self, ObjectKey a0, Object a1)
2305 add_attribute(XYZR self, SparseFloatKey a0, IMP::Float a1)
2306 add_attribute(XYZR self, SparseIntKey a0, IMP::Int a1)
2307 add_attribute(XYZR self, SparseStringKey a0, IMP::String a1)
2308 add_attribute(XYZR self, SparseParticleIndexKey a0, ParticleIndex a1)
2310 return _IMP_core.XYZR_add_attribute(self, *args)
2312 def get_value(self, *args):
2314 get_value(XYZR self, FloatKey a0) -> IMP::Float
2315 get_value(XYZR self, IntKey a0) -> IMP::Int
2316 get_value(XYZR self, FloatsKey a0) -> IMP::Floats
2317 get_value(XYZR self, IntsKey a0) -> IMP::Ints
2318 get_value(XYZR self, StringKey a0) -> IMP::String
2319 get_value(XYZR self, ParticleIndexKey a0) -> Particle
2320 get_value(XYZR self, ObjectKey a0) -> Object
2321 get_value(XYZR self, SparseFloatKey a0) -> IMP::Float
2322 get_value(XYZR self, SparseIntKey a0) -> IMP::Int
2323 get_value(XYZR self, SparseStringKey a0) -> IMP::String
2324 get_value(XYZR self, SparseParticleIndexKey a0) -> ParticleIndex
2326 return _IMP_core.XYZR_get_value(self, *args)
2328 def set_value(self, *args):
2330 set_value(XYZR self, FloatKey a0, IMP::Float a1)
2331 set_value(XYZR self, IntKey a0, IMP::Int a1)
2332 set_value(XYZR self, FloatsKey a0, IMP::Floats a1)
2333 set_value(XYZR self, IntsKey a0, IMP::Ints a1)
2334 set_value(XYZR self, StringKey a0, IMP::String a1)
2335 set_value(XYZR self, ParticleIndexKey a0, Particle a1)
2336 set_value(XYZR self, ObjectKey a0, Object a1)
2337 set_value(XYZR self, SparseFloatKey a0, IMP::Float a1)
2338 set_value(XYZR self, SparseIntKey a0, IMP::Int a1)
2339 set_value(XYZR self, SparseStringKey a0, IMP::String a1)
2340 set_value(XYZR self, SparseParticleIndexKey a0, ParticleIndex a1)
2342 return _IMP_core.XYZR_set_value(self, *args)
2344 def remove_attribute(self, *args):
2346 remove_attribute(XYZR self, FloatKey a0)
2347 remove_attribute(XYZR self, IntKey a0)
2348 remove_attribute(XYZR self, FloatsKey a0)
2349 remove_attribute(XYZR self, IntsKey a0)
2350 remove_attribute(XYZR self, StringKey a0)
2351 remove_attribute(XYZR self, ParticleIndexKey a0)
2352 remove_attribute(XYZR self, ObjectKey a0)
2353 remove_attribute(XYZR self, SparseFloatKey a0)
2354 remove_attribute(XYZR self, SparseIntKey a0)
2355 remove_attribute(XYZR self, SparseStringKey a0)
2356 remove_attribute(XYZR self, SparseParticleIndexKey a0)
2358 return _IMP_core.XYZR_remove_attribute(self, *args)
2360 def has_attribute(self, *args):
2362 has_attribute(XYZR self, FloatKey a0) -> bool
2363 has_attribute(XYZR self, IntKey a0) -> bool
2364 has_attribute(XYZR self, FloatsKey a0) -> bool
2365 has_attribute(XYZR self, IntsKey a0) -> bool
2366 has_attribute(XYZR self, StringKey a0) -> bool
2367 has_attribute(XYZR self, ParticleIndexKey a0) -> bool
2368 has_attribute(XYZR self, ObjectKey a0) -> bool
2369 has_attribute(XYZR self, SparseFloatKey a0) -> bool
2370 has_attribute(XYZR self, SparseIntKey a0) -> bool
2371 has_attribute(XYZR self, SparseStringKey a0) -> bool
2372 has_attribute(XYZR self, SparseParticleIndexKey a0) -> bool
2374 return _IMP_core.XYZR_has_attribute(self, *args)
2376 def get_derivative(self, a0):
2377 r"""get_derivative(XYZR self, FloatKey a0) -> double"""
2378 return _IMP_core.XYZR_get_derivative(self, a0)
2381 r"""get_name(XYZR self) -> std::string"""
2382 return _IMP_core.XYZR_get_name(self)
2384 def clear_caches(self):
2385 r"""clear_caches(XYZR self)"""
2386 return _IMP_core.XYZR_clear_caches(self)
2388 def set_name(self, a0):
2389 r"""set_name(XYZR self, std::string a0)"""
2390 return _IMP_core.XYZR_set_name(self, a0)
2393 r"""set_check_level(XYZR self, IMP::CheckLevel a0)"""
2394 return _IMP_core.XYZR_set_check_level(self, a0)
2396 def add_to_derivative(self, a0, a1, a2):
2397 r"""add_to_derivative(XYZR self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2398 return _IMP_core.XYZR_add_to_derivative(self, a0, a1, a2)
2400 def set_is_optimized(self, a0, a1):
2401 r"""set_is_optimized(XYZR self, FloatKey a0, bool a1)"""
2402 return _IMP_core.XYZR_set_is_optimized(self, a0, a1)
2404 def get_is_optimized(self, a0):
2405 r"""get_is_optimized(XYZR self, FloatKey a0) -> bool"""
2406 return _IMP_core.XYZR_get_is_optimized(self, a0)
2409 r"""get_check_level(XYZR self) -> IMP::CheckLevel"""
2410 return _IMP_core.XYZR_get_check_level(self)
2412 def __eq__(self, *args):
2414 __eq__(XYZR self, XYZR o) -> bool
2415 __eq__(XYZR self, Particle d) -> bool
2417 return _IMP_core.XYZR___eq__(self, *args)
2419 def __ne__(self, *args):
2421 __ne__(XYZR self, XYZR o) -> bool
2422 __ne__(XYZR self, Particle d) -> bool
2424 return _IMP_core.XYZR___ne__(self, *args)
2426 def __le__(self, *args):
2428 __le__(XYZR self, XYZR o) -> bool
2429 __le__(XYZR self, Particle d) -> bool
2431 return _IMP_core.XYZR___le__(self, *args)
2433 def __lt__(self, *args):
2435 __lt__(XYZR self, XYZR o) -> bool
2436 __lt__(XYZR self, Particle d) -> bool
2438 return _IMP_core.XYZR___lt__(self, *args)
2440 def __ge__(self, *args):
2442 __ge__(XYZR self, XYZR o) -> bool
2443 __ge__(XYZR self, Particle d) -> bool
2445 return _IMP_core.XYZR___ge__(self, *args)
2447 def __gt__(self, *args):
2449 __gt__(XYZR self, XYZR o) -> bool
2450 __gt__(XYZR self, Particle d) -> bool
2452 return _IMP_core.XYZR___gt__(self, *args)
2455 r"""__hash__(XYZR self) -> std::size_t"""
2456 return _IMP_core.XYZR___hash__(self)
2459 r"""__str__(XYZR self) -> std::string"""
2460 return _IMP_core.XYZR___str__(self)
2463 r"""__repr__(XYZR self) -> std::string"""
2464 return _IMP_core.XYZR___repr__(self)
2466 def _get_as_binary(self):
2467 r"""_get_as_binary(XYZR self) -> PyObject *"""
2468 return _IMP_core.XYZR__get_as_binary(self)
2470 def _set_from_binary(self, p):
2471 r"""_set_from_binary(XYZR self, PyObject * p)"""
2472 return _IMP_core.XYZR__set_from_binary(self, p)
2474 def __getstate__(self):
2475 p = self._get_as_binary()
2476 if len(self.__dict__) > 1:
2477 d = self.__dict__.copy()
2482 def __setstate__(self, p):
2483 if not hasattr(self,
'this'):
2485 if isinstance(p, tuple):
2487 self.__dict__.update(d)
2488 return self._set_from_binary(p)
2490 __swig_destroy__ = _IMP_core.delete_XYZR
2493 _IMP_core.XYZR_swigregister(XYZR)
2496 r"""set_enclosing_sphere(XYZR b, IMP::core::XYZs const & v, double slack=0)"""
2497 return _IMP_core.set_enclosing_sphere(b, v, slack)
2500 r"""set_enclosing_radius(XYZR b, IMP::core::XYZs const & v)"""
2501 return _IMP_core.set_enclosing_radius(b, v)
2504 r"""get_enclosing_sphere(IMP::core::XYZs const & v) -> Sphere3D"""
2505 return _IMP_core.get_enclosing_sphere(v)
2508 r"""create_xyzr_particles(Model m, unsigned int num, IMP::Float radius, IMP::Float box_side=10) -> IMP::core::XYZRs"""
2509 return _IMP_core.create_xyzr_particles(m, num, radius, box_side)
2511 r"""Proxy of C++ IMP::core::XYZRGeometry class."""
2513 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2515 def __init__(self, *args):
2517 __init__(XYZRGeometry self, Particle p) -> XYZRGeometry
2518 __init__(XYZRGeometry self, XYZR d) -> XYZRGeometry
2520 _IMP_core.XYZRGeometry_swiginit(self, _IMP_core.new_XYZRGeometry(*args))
2522 def get_version_info(self):
2523 r"""get_version_info(XYZRGeometry self) -> VersionInfo"""
2524 return _IMP_core.XYZRGeometry_get_version_info(self)
2525 __swig_destroy__ = _IMP_core.delete_XYZRGeometry
2528 r"""__str__(XYZRGeometry self) -> std::string"""
2529 return _IMP_core.XYZRGeometry___str__(self)
2532 r"""__repr__(XYZRGeometry self) -> std::string"""
2533 return _IMP_core.XYZRGeometry___repr__(self)
2537 return _object_cast_to_XYZRGeometry(o)
2541 _IMP_core.XYZRGeometry_swigregister(XYZRGeometry)
2543 r"""Proxy of C++ IMP::core::XYZRsGeometry class."""
2545 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2547 def __init__(self, sc):
2548 r"""__init__(XYZRsGeometry self, SingletonContainer sc) -> XYZRsGeometry"""
2549 _IMP_core.XYZRsGeometry_swiginit(self, _IMP_core.new_XYZRsGeometry(sc))
2551 def get_version_info(self):
2552 r"""get_version_info(XYZRsGeometry self) -> VersionInfo"""
2553 return _IMP_core.XYZRsGeometry_get_version_info(self)
2554 __swig_destroy__ = _IMP_core.delete_XYZRsGeometry
2557 r"""__str__(XYZRsGeometry self) -> std::string"""
2558 return _IMP_core.XYZRsGeometry___str__(self)
2561 r"""__repr__(XYZRsGeometry self) -> std::string"""
2562 return _IMP_core.XYZRsGeometry___repr__(self)
2566 return _object_cast_to_XYZRsGeometry(o)
2570 _IMP_core.XYZRsGeometry_swigregister(XYZRsGeometry)
2572 r"""Proxy of C++ IMP::core::XYZDerivativeGeometry class."""
2574 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2576 def __init__(self, *args):
2578 __init__(XYZDerivativeGeometry self, Particle p) -> XYZDerivativeGeometry
2579 __init__(XYZDerivativeGeometry self, XYZ d) -> XYZDerivativeGeometry
2581 _IMP_core.XYZDerivativeGeometry_swiginit(self, _IMP_core.new_XYZDerivativeGeometry(*args))
2583 def get_version_info(self):
2584 r"""get_version_info(XYZDerivativeGeometry self) -> VersionInfo"""
2585 return _IMP_core.XYZDerivativeGeometry_get_version_info(self)
2586 __swig_destroy__ = _IMP_core.delete_XYZDerivativeGeometry
2589 r"""__str__(XYZDerivativeGeometry self) -> std::string"""
2590 return _IMP_core.XYZDerivativeGeometry___str__(self)
2593 r"""__repr__(XYZDerivativeGeometry self) -> std::string"""
2594 return _IMP_core.XYZDerivativeGeometry___repr__(self)
2598 return _object_cast_to_XYZDerivativeGeometry(o)
2602 _IMP_core.XYZDerivativeGeometry_swigregister(XYZDerivativeGeometry)
2604 r"""Proxy of C++ IMP::core::XYZDerivativesGeometry class."""
2606 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2608 def __init__(self, sc):
2609 r"""__init__(XYZDerivativesGeometry self, SingletonContainer sc) -> XYZDerivativesGeometry"""
2610 _IMP_core.XYZDerivativesGeometry_swiginit(self, _IMP_core.new_XYZDerivativesGeometry(sc))
2612 def get_version_info(self):
2613 r"""get_version_info(XYZDerivativesGeometry self) -> VersionInfo"""
2614 return _IMP_core.XYZDerivativesGeometry_get_version_info(self)
2615 __swig_destroy__ = _IMP_core.delete_XYZDerivativesGeometry
2618 r"""__str__(XYZDerivativesGeometry self) -> std::string"""
2619 return _IMP_core.XYZDerivativesGeometry___str__(self)
2622 r"""__repr__(XYZDerivativesGeometry self) -> std::string"""
2623 return _IMP_core.XYZDerivativesGeometry___repr__(self)
2627 return _object_cast_to_XYZDerivativesGeometry(o)
2631 _IMP_core.XYZDerivativesGeometry_swigregister(XYZDerivativesGeometry)
2633 r"""Proxy of C++ IMP::core::EdgePairGeometry class."""
2635 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2637 def __init__(self, pp):
2638 r"""__init__(EdgePairGeometry self, IMP::ParticlePair const & pp) -> EdgePairGeometry"""
2639 _IMP_core.EdgePairGeometry_swiginit(self, _IMP_core.new_EdgePairGeometry(pp))
2641 def get_version_info(self):
2642 r"""get_version_info(EdgePairGeometry self) -> VersionInfo"""
2643 return _IMP_core.EdgePairGeometry_get_version_info(self)
2644 __swig_destroy__ = _IMP_core.delete_EdgePairGeometry
2647 r"""__str__(EdgePairGeometry self) -> std::string"""
2648 return _IMP_core.EdgePairGeometry___str__(self)
2651 r"""__repr__(EdgePairGeometry self) -> std::string"""
2652 return _IMP_core.EdgePairGeometry___repr__(self)
2656 return _object_cast_to_EdgePairGeometry(o)
2660 _IMP_core.EdgePairGeometry_swigregister(EdgePairGeometry)
2662 r"""Proxy of C++ IMP::core::EdgePairsGeometry class."""
2664 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2666 def __init__(self, sc):
2667 r"""__init__(EdgePairsGeometry self, PairContainer sc) -> EdgePairsGeometry"""
2668 _IMP_core.EdgePairsGeometry_swiginit(self, _IMP_core.new_EdgePairsGeometry(sc))
2670 def get_version_info(self):
2671 r"""get_version_info(EdgePairsGeometry self) -> VersionInfo"""
2672 return _IMP_core.EdgePairsGeometry_get_version_info(self)
2673 __swig_destroy__ = _IMP_core.delete_EdgePairsGeometry
2676 r"""__str__(EdgePairsGeometry self) -> std::string"""
2677 return _IMP_core.EdgePairsGeometry___str__(self)
2680 r"""__repr__(EdgePairsGeometry self) -> std::string"""
2681 return _IMP_core.EdgePairsGeometry___repr__(self)
2685 return _object_cast_to_EdgePairsGeometry(o)
2689 _IMP_core.EdgePairsGeometry_swigregister(EdgePairsGeometry)
2691 r"""Proxy of C++ IMP::core::Direction class."""
2693 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2696 def do_setup_particle(m, pi, v):
2697 r"""do_setup_particle(Model m, ParticleIndex pi, Vector3D v)"""
2698 return _IMP_core.Direction_do_setup_particle(m, pi, v)
2700 def __init__(self, *args):
2702 __init__(Direction self) -> Direction
2703 __init__(Direction self, Model m, ParticleIndex id) -> Direction
2704 __init__(Direction self, _ParticleAdaptor d) -> Direction
2706 _IMP_core.Direction_swiginit(self, _IMP_core.new_Direction(*args))
2708 def show(self, *args):
2709 r"""show(Direction self, _ostream out=std::cout)"""
2710 return _IMP_core.Direction_show(self, *args)
2713 def setup_particle(*args):
2715 setup_particle(Model m, ParticleIndex pi, Vector3D v) -> Direction
2716 setup_particle(_ParticleAdaptor pa, Vector3D v) -> Direction
2718 return _IMP_core.Direction_setup_particle(*args)
2721 def get_is_setup(*args):
2723 get_is_setup(_ParticleAdaptor p) -> bool
2724 get_is_setup(Model m, ParticleIndex pi) -> bool
2726 return _IMP_core.Direction_get_is_setup(*args)
2729 def get_direction_key(i):
2730 r"""get_direction_key(unsigned int i) -> FloatKey"""
2731 return _IMP_core.Direction_get_direction_key(i)
2733 def get_direction_derivative(self, i):
2734 r"""get_direction_derivative(Direction self, int i) -> IMP::Float"""
2735 return _IMP_core.Direction_get_direction_derivative(self, i)
2737 def get_direction_derivatives(self):
2738 r"""get_direction_derivatives(Direction self) -> Vector3D"""
2739 return _IMP_core.Direction_get_direction_derivatives(self)
2741 def add_to_direction_derivative(self, i, v, d):
2742 r"""add_to_direction_derivative(Direction self, int i, IMP::Float v, DerivativeAccumulator d)"""
2743 return _IMP_core.Direction_add_to_direction_derivative(self, i, v, d)
2745 def add_to_direction_derivatives(self, v, d):
2746 r"""add_to_direction_derivatives(Direction self, Vector3D v, DerivativeAccumulator d)"""
2747 return _IMP_core.Direction_add_to_direction_derivatives(self, v, d)
2749 def get_direction_is_optimized(self):
2750 r"""get_direction_is_optimized(Direction self) -> bool"""
2751 return _IMP_core.Direction_get_direction_is_optimized(self)
2753 def set_direction_is_optimized(self, tf):
2754 r"""set_direction_is_optimized(Direction self, bool tf)"""
2755 return _IMP_core.Direction_set_direction_is_optimized(self, tf)
2757 def get_direction(self):
2758 r"""get_direction(Direction self) -> Vector3D"""
2759 return _IMP_core.Direction_get_direction(self)
2761 def set_direction(self, v):
2762 r"""set_direction(Direction self, Vector3D v)"""
2763 return _IMP_core.Direction_set_direction(self, v)
2766 r"""reflect(Direction self)"""
2767 return _IMP_core.Direction_reflect(self)
2769 def add_attribute(self, *args):
2771 add_attribute(Direction self, FloatKey k, IMP::Float v, bool opt)
2772 add_attribute(Direction self, FloatKey a0, IMP::Float a1)
2773 add_attribute(Direction self, IntKey a0, IMP::Int a1)
2774 add_attribute(Direction self, FloatsKey a0, IMP::Floats a1)
2775 add_attribute(Direction self, IntsKey a0, IMP::Ints a1)
2776 add_attribute(Direction self, StringKey a0, IMP::String a1)
2777 add_attribute(Direction self, ParticleIndexKey a0, Particle a1)
2778 add_attribute(Direction self, ObjectKey a0, Object a1)
2779 add_attribute(Direction self, SparseFloatKey a0, IMP::Float a1)
2780 add_attribute(Direction self, SparseIntKey a0, IMP::Int a1)
2781 add_attribute(Direction self, SparseStringKey a0, IMP::String a1)
2782 add_attribute(Direction self, SparseParticleIndexKey a0, ParticleIndex a1)
2784 return _IMP_core.Direction_add_attribute(self, *args)
2786 def get_value(self, *args):
2788 get_value(Direction self, FloatKey a0) -> IMP::Float
2789 get_value(Direction self, IntKey a0) -> IMP::Int
2790 get_value(Direction self, FloatsKey a0) -> IMP::Floats
2791 get_value(Direction self, IntsKey a0) -> IMP::Ints
2792 get_value(Direction self, StringKey a0) -> IMP::String
2793 get_value(Direction self, ParticleIndexKey a0) -> Particle
2794 get_value(Direction self, ObjectKey a0) -> Object
2795 get_value(Direction self, SparseFloatKey a0) -> IMP::Float
2796 get_value(Direction self, SparseIntKey a0) -> IMP::Int
2797 get_value(Direction self, SparseStringKey a0) -> IMP::String
2798 get_value(Direction self, SparseParticleIndexKey a0) -> ParticleIndex
2800 return _IMP_core.Direction_get_value(self, *args)
2802 def set_value(self, *args):
2804 set_value(Direction self, FloatKey a0, IMP::Float a1)
2805 set_value(Direction self, IntKey a0, IMP::Int a1)
2806 set_value(Direction self, FloatsKey a0, IMP::Floats a1)
2807 set_value(Direction self, IntsKey a0, IMP::Ints a1)
2808 set_value(Direction self, StringKey a0, IMP::String a1)
2809 set_value(Direction self, ParticleIndexKey a0, Particle a1)
2810 set_value(Direction self, ObjectKey a0, Object a1)
2811 set_value(Direction self, SparseFloatKey a0, IMP::Float a1)
2812 set_value(Direction self, SparseIntKey a0, IMP::Int a1)
2813 set_value(Direction self, SparseStringKey a0, IMP::String a1)
2814 set_value(Direction self, SparseParticleIndexKey a0, ParticleIndex a1)
2816 return _IMP_core.Direction_set_value(self, *args)
2818 def remove_attribute(self, *args):
2820 remove_attribute(Direction self, FloatKey a0)
2821 remove_attribute(Direction self, IntKey a0)
2822 remove_attribute(Direction self, FloatsKey a0)
2823 remove_attribute(Direction self, IntsKey a0)
2824 remove_attribute(Direction self, StringKey a0)
2825 remove_attribute(Direction self, ParticleIndexKey a0)
2826 remove_attribute(Direction self, ObjectKey a0)
2827 remove_attribute(Direction self, SparseFloatKey a0)
2828 remove_attribute(Direction self, SparseIntKey a0)
2829 remove_attribute(Direction self, SparseStringKey a0)
2830 remove_attribute(Direction self, SparseParticleIndexKey a0)
2832 return _IMP_core.Direction_remove_attribute(self, *args)
2834 def has_attribute(self, *args):
2836 has_attribute(Direction self, FloatKey a0) -> bool
2837 has_attribute(Direction self, IntKey a0) -> bool
2838 has_attribute(Direction self, FloatsKey a0) -> bool
2839 has_attribute(Direction self, IntsKey a0) -> bool
2840 has_attribute(Direction self, StringKey a0) -> bool
2841 has_attribute(Direction self, ParticleIndexKey a0) -> bool
2842 has_attribute(Direction self, ObjectKey a0) -> bool
2843 has_attribute(Direction self, SparseFloatKey a0) -> bool
2844 has_attribute(Direction self, SparseIntKey a0) -> bool
2845 has_attribute(Direction self, SparseStringKey a0) -> bool
2846 has_attribute(Direction self, SparseParticleIndexKey a0) -> bool
2848 return _IMP_core.Direction_has_attribute(self, *args)
2850 def get_derivative(self, a0):
2851 r"""get_derivative(Direction self, FloatKey a0) -> double"""
2852 return _IMP_core.Direction_get_derivative(self, a0)
2855 r"""get_name(Direction self) -> std::string"""
2856 return _IMP_core.Direction_get_name(self)
2858 def clear_caches(self):
2859 r"""clear_caches(Direction self)"""
2860 return _IMP_core.Direction_clear_caches(self)
2862 def set_name(self, a0):
2863 r"""set_name(Direction self, std::string a0)"""
2864 return _IMP_core.Direction_set_name(self, a0)
2867 r"""set_check_level(Direction self, IMP::CheckLevel a0)"""
2868 return _IMP_core.Direction_set_check_level(self, a0)
2870 def add_to_derivative(self, a0, a1, a2):
2871 r"""add_to_derivative(Direction self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2872 return _IMP_core.Direction_add_to_derivative(self, a0, a1, a2)
2874 def set_is_optimized(self, a0, a1):
2875 r"""set_is_optimized(Direction self, FloatKey a0, bool a1)"""
2876 return _IMP_core.Direction_set_is_optimized(self, a0, a1)
2878 def get_is_optimized(self, a0):
2879 r"""get_is_optimized(Direction self, FloatKey a0) -> bool"""
2880 return _IMP_core.Direction_get_is_optimized(self, a0)
2883 r"""get_check_level(Direction self) -> IMP::CheckLevel"""
2884 return _IMP_core.Direction_get_check_level(self)
2886 def __eq__(self, *args):
2888 __eq__(Direction self, Direction o) -> bool
2889 __eq__(Direction self, Particle d) -> bool
2891 return _IMP_core.Direction___eq__(self, *args)
2893 def __ne__(self, *args):
2895 __ne__(Direction self, Direction o) -> bool
2896 __ne__(Direction self, Particle d) -> bool
2898 return _IMP_core.Direction___ne__(self, *args)
2900 def __le__(self, *args):
2902 __le__(Direction self, Direction o) -> bool
2903 __le__(Direction self, Particle d) -> bool
2905 return _IMP_core.Direction___le__(self, *args)
2907 def __lt__(self, *args):
2909 __lt__(Direction self, Direction o) -> bool
2910 __lt__(Direction self, Particle d) -> bool
2912 return _IMP_core.Direction___lt__(self, *args)
2914 def __ge__(self, *args):
2916 __ge__(Direction self, Direction o) -> bool
2917 __ge__(Direction self, Particle d) -> bool
2919 return _IMP_core.Direction___ge__(self, *args)
2921 def __gt__(self, *args):
2923 __gt__(Direction self, Direction o) -> bool
2924 __gt__(Direction self, Particle d) -> bool
2926 return _IMP_core.Direction___gt__(self, *args)
2929 r"""__hash__(Direction self) -> std::size_t"""
2930 return _IMP_core.Direction___hash__(self)
2933 r"""__str__(Direction self) -> std::string"""
2934 return _IMP_core.Direction___str__(self)
2937 r"""__repr__(Direction self) -> std::string"""
2938 return _IMP_core.Direction___repr__(self)
2940 def _get_as_binary(self):
2941 r"""_get_as_binary(Direction self) -> PyObject *"""
2942 return _IMP_core.Direction__get_as_binary(self)
2944 def _set_from_binary(self, p):
2945 r"""_set_from_binary(Direction self, PyObject * p)"""
2946 return _IMP_core.Direction__set_from_binary(self, p)
2948 def __getstate__(self):
2949 p = self._get_as_binary()
2950 if len(self.__dict__) > 1:
2951 d = self.__dict__.copy()
2956 def __setstate__(self, p):
2957 if not hasattr(self,
'this'):
2959 if isinstance(p, tuple):
2961 self.__dict__.update(d)
2962 return self._set_from_binary(p)
2964 __swig_destroy__ = _IMP_core.delete_Direction
2967 _IMP_core.Direction_swigregister(Direction)
2970 r"""get_angle(Direction a, Direction b) -> double"""
2971 return _IMP_core.get_angle(a, b)
2973 r"""Proxy of C++ IMP::core::DirectionAngle class."""
2975 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2977 def __init__(self, *args):
2979 __init__(DirectionAngle self) -> DirectionAngle
2980 __init__(DirectionAngle self, Model m, ParticleIndex id) -> DirectionAngle
2981 __init__(DirectionAngle self, _ParticleAdaptor d) -> DirectionAngle
2983 _IMP_core.DirectionAngle_swiginit(self, _IMP_core.new_DirectionAngle(*args))
2985 def show(self, *args):
2986 r"""show(DirectionAngle self, _ostream out=std::cout)"""
2987 return _IMP_core.DirectionAngle_show(self, *args)
2990 def setup_particle(*args):
2992 setup_particle(Model m, ParticleIndex pi, IMP::ParticleIndexPair ds) -> DirectionAngle
2993 setup_particle(_ParticleAdaptor pa, IMP::ParticleIndexPair ds) -> DirectionAngle
2994 setup_particle(Model m, ParticleIndex pi, _ParticleIndexAdaptor d0, _ParticleIndexAdaptor d1) -> DirectionAngle
2995 setup_particle(_ParticleAdaptor pa, _ParticleIndexAdaptor d0, _ParticleIndexAdaptor d1) -> DirectionAngle
2997 return _IMP_core.DirectionAngle_setup_particle(*args)
3000 def get_is_setup(*args):
3002 get_is_setup(_ParticleAdaptor p) -> bool
3003 get_is_setup(Model m, ParticleIndex pi) -> bool
3005 return _IMP_core.DirectionAngle_get_is_setup(*args)
3008 def get_angle_key():
3009 r"""get_angle_key() -> FloatKey"""
3010 return _IMP_core.DirectionAngle_get_angle_key()
3013 def get_particle_key(i):
3014 r"""get_particle_key(unsigned int i) -> ParticleIndexKey"""
3015 return _IMP_core.DirectionAngle_get_particle_key(i)
3017 def get_particle(self, *args):
3019 get_particle(DirectionAngle self, unsigned int i) -> Particle
3020 get_particle(DirectionAngle self) -> Particle
3022 return _IMP_core.DirectionAngle_get_particle(self, *args)
3024 def get_particle_index(self, *args):
3026 get_particle_index(DirectionAngle self, unsigned int i) -> ParticleIndex
3027 get_particle_index(DirectionAngle self) -> ParticleIndex
3029 return _IMP_core.DirectionAngle_get_particle_index(self, *args)
3032 r"""get_angle(DirectionAngle self) -> IMP::Float"""
3033 return _IMP_core.DirectionAngle_get_angle(self)
3035 def get_angle_derivative(self):
3036 r"""get_angle_derivative(DirectionAngle self) -> IMP::Float"""
3037 return _IMP_core.DirectionAngle_get_angle_derivative(self)
3039 def add_to_angle_derivative(self, v, d):
3040 r"""add_to_angle_derivative(DirectionAngle self, IMP::Float v, DerivativeAccumulator d)"""
3041 return _IMP_core.DirectionAngle_add_to_angle_derivative(self, v, d)
3043 def add_attribute(self, *args):
3045 add_attribute(DirectionAngle self, FloatKey k, IMP::Float v, bool opt)
3046 add_attribute(DirectionAngle self, FloatKey a0, IMP::Float a1)
3047 add_attribute(DirectionAngle self, IntKey a0, IMP::Int a1)
3048 add_attribute(DirectionAngle self, FloatsKey a0, IMP::Floats a1)
3049 add_attribute(DirectionAngle self, IntsKey a0, IMP::Ints a1)
3050 add_attribute(DirectionAngle self, StringKey a0, IMP::String a1)
3051 add_attribute(DirectionAngle self, ParticleIndexKey a0, Particle a1)
3052 add_attribute(DirectionAngle self, ObjectKey a0, Object a1)
3053 add_attribute(DirectionAngle self, SparseFloatKey a0, IMP::Float a1)
3054 add_attribute(DirectionAngle self, SparseIntKey a0, IMP::Int a1)
3055 add_attribute(DirectionAngle self, SparseStringKey a0, IMP::String a1)
3056 add_attribute(DirectionAngle self, SparseParticleIndexKey a0, ParticleIndex a1)
3058 return _IMP_core.DirectionAngle_add_attribute(self, *args)
3060 def get_value(self, *args):
3062 get_value(DirectionAngle self, FloatKey a0) -> IMP::Float
3063 get_value(DirectionAngle self, IntKey a0) -> IMP::Int
3064 get_value(DirectionAngle self, FloatsKey a0) -> IMP::Floats
3065 get_value(DirectionAngle self, IntsKey a0) -> IMP::Ints
3066 get_value(DirectionAngle self, StringKey a0) -> IMP::String
3067 get_value(DirectionAngle self, ParticleIndexKey a0) -> Particle
3068 get_value(DirectionAngle self, ObjectKey a0) -> Object
3069 get_value(DirectionAngle self, SparseFloatKey a0) -> IMP::Float
3070 get_value(DirectionAngle self, SparseIntKey a0) -> IMP::Int
3071 get_value(DirectionAngle self, SparseStringKey a0) -> IMP::String
3072 get_value(DirectionAngle self, SparseParticleIndexKey a0) -> ParticleIndex
3074 return _IMP_core.DirectionAngle_get_value(self, *args)
3076 def set_value(self, *args):
3078 set_value(DirectionAngle self, FloatKey a0, IMP::Float a1)
3079 set_value(DirectionAngle self, IntKey a0, IMP::Int a1)
3080 set_value(DirectionAngle self, FloatsKey a0, IMP::Floats a1)
3081 set_value(DirectionAngle self, IntsKey a0, IMP::Ints a1)
3082 set_value(DirectionAngle self, StringKey a0, IMP::String a1)
3083 set_value(DirectionAngle self, ParticleIndexKey a0, Particle a1)
3084 set_value(DirectionAngle self, ObjectKey a0, Object a1)
3085 set_value(DirectionAngle self, SparseFloatKey a0, IMP::Float a1)
3086 set_value(DirectionAngle self, SparseIntKey a0, IMP::Int a1)
3087 set_value(DirectionAngle self, SparseStringKey a0, IMP::String a1)
3088 set_value(DirectionAngle self, SparseParticleIndexKey a0, ParticleIndex a1)
3090 return _IMP_core.DirectionAngle_set_value(self, *args)
3092 def remove_attribute(self, *args):
3094 remove_attribute(DirectionAngle self, FloatKey a0)
3095 remove_attribute(DirectionAngle self, IntKey a0)
3096 remove_attribute(DirectionAngle self, FloatsKey a0)
3097 remove_attribute(DirectionAngle self, IntsKey a0)
3098 remove_attribute(DirectionAngle self, StringKey a0)
3099 remove_attribute(DirectionAngle self, ParticleIndexKey a0)
3100 remove_attribute(DirectionAngle self, ObjectKey a0)
3101 remove_attribute(DirectionAngle self, SparseFloatKey a0)
3102 remove_attribute(DirectionAngle self, SparseIntKey a0)
3103 remove_attribute(DirectionAngle self, SparseStringKey a0)
3104 remove_attribute(DirectionAngle self, SparseParticleIndexKey a0)
3106 return _IMP_core.DirectionAngle_remove_attribute(self, *args)
3108 def has_attribute(self, *args):
3110 has_attribute(DirectionAngle self, FloatKey a0) -> bool
3111 has_attribute(DirectionAngle self, IntKey a0) -> bool
3112 has_attribute(DirectionAngle self, FloatsKey a0) -> bool
3113 has_attribute(DirectionAngle self, IntsKey a0) -> bool
3114 has_attribute(DirectionAngle self, StringKey a0) -> bool
3115 has_attribute(DirectionAngle self, ParticleIndexKey a0) -> bool
3116 has_attribute(DirectionAngle self, ObjectKey a0) -> bool
3117 has_attribute(DirectionAngle self, SparseFloatKey a0) -> bool
3118 has_attribute(DirectionAngle self, SparseIntKey a0) -> bool
3119 has_attribute(DirectionAngle self, SparseStringKey a0) -> bool
3120 has_attribute(DirectionAngle self, SparseParticleIndexKey a0) -> bool
3122 return _IMP_core.DirectionAngle_has_attribute(self, *args)
3124 def get_derivative(self, a0):
3125 r"""get_derivative(DirectionAngle self, FloatKey a0) -> double"""
3126 return _IMP_core.DirectionAngle_get_derivative(self, a0)
3129 r"""get_name(DirectionAngle self) -> std::string"""
3130 return _IMP_core.DirectionAngle_get_name(self)
3132 def clear_caches(self):
3133 r"""clear_caches(DirectionAngle self)"""
3134 return _IMP_core.DirectionAngle_clear_caches(self)
3136 def set_name(self, a0):
3137 r"""set_name(DirectionAngle self, std::string a0)"""
3138 return _IMP_core.DirectionAngle_set_name(self, a0)
3141 r"""set_check_level(DirectionAngle self, IMP::CheckLevel a0)"""
3142 return _IMP_core.DirectionAngle_set_check_level(self, a0)
3144 def add_to_derivative(self, a0, a1, a2):
3145 r"""add_to_derivative(DirectionAngle self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3146 return _IMP_core.DirectionAngle_add_to_derivative(self, a0, a1, a2)
3148 def set_is_optimized(self, a0, a1):
3149 r"""set_is_optimized(DirectionAngle self, FloatKey a0, bool a1)"""
3150 return _IMP_core.DirectionAngle_set_is_optimized(self, a0, a1)
3152 def get_is_optimized(self, a0):
3153 r"""get_is_optimized(DirectionAngle self, FloatKey a0) -> bool"""
3154 return _IMP_core.DirectionAngle_get_is_optimized(self, a0)
3157 r"""get_check_level(DirectionAngle self) -> IMP::CheckLevel"""
3158 return _IMP_core.DirectionAngle_get_check_level(self)
3160 def __eq__(self, *args):
3162 __eq__(DirectionAngle self, DirectionAngle o) -> bool
3163 __eq__(DirectionAngle self, Particle d) -> bool
3165 return _IMP_core.DirectionAngle___eq__(self, *args)
3167 def __ne__(self, *args):
3169 __ne__(DirectionAngle self, DirectionAngle o) -> bool
3170 __ne__(DirectionAngle self, Particle d) -> bool
3172 return _IMP_core.DirectionAngle___ne__(self, *args)
3174 def __le__(self, *args):
3176 __le__(DirectionAngle self, DirectionAngle o) -> bool
3177 __le__(DirectionAngle self, Particle d) -> bool
3179 return _IMP_core.DirectionAngle___le__(self, *args)
3181 def __lt__(self, *args):
3183 __lt__(DirectionAngle self, DirectionAngle o) -> bool
3184 __lt__(DirectionAngle self, Particle d) -> bool
3186 return _IMP_core.DirectionAngle___lt__(self, *args)
3188 def __ge__(self, *args):
3190 __ge__(DirectionAngle self, DirectionAngle o) -> bool
3191 __ge__(DirectionAngle self, Particle d) -> bool
3193 return _IMP_core.DirectionAngle___ge__(self, *args)
3195 def __gt__(self, *args):
3197 __gt__(DirectionAngle self, DirectionAngle o) -> bool
3198 __gt__(DirectionAngle self, Particle d) -> bool
3200 return _IMP_core.DirectionAngle___gt__(self, *args)
3203 r"""__hash__(DirectionAngle self) -> std::size_t"""
3204 return _IMP_core.DirectionAngle___hash__(self)
3207 r"""__str__(DirectionAngle self) -> std::string"""
3208 return _IMP_core.DirectionAngle___str__(self)
3211 r"""__repr__(DirectionAngle self) -> std::string"""
3212 return _IMP_core.DirectionAngle___repr__(self)
3214 def _get_as_binary(self):
3215 r"""_get_as_binary(DirectionAngle self) -> PyObject *"""
3216 return _IMP_core.DirectionAngle__get_as_binary(self)
3218 def _set_from_binary(self, p):
3219 r"""_set_from_binary(DirectionAngle self, PyObject * p)"""
3220 return _IMP_core.DirectionAngle__set_from_binary(self, p)
3222 def __getstate__(self):
3223 p = self._get_as_binary()
3224 if len(self.__dict__) > 1:
3225 d = self.__dict__.copy()
3230 def __setstate__(self, p):
3231 if not hasattr(self,
'this'):
3233 if isinstance(p, tuple):
3235 self.__dict__.update(d)
3236 return self._set_from_binary(p)
3238 __swig_destroy__ = _IMP_core.delete_DirectionAngle
3241 _IMP_core.DirectionAngle_swigregister(DirectionAngle)
3243 r"""Proxy of C++ IMP::core::Surface class."""
3245 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3248 def do_setup_particle(*args):
3250 do_setup_particle(Model m, ParticleIndex pi, Vector3D center=IMP::Vector3D(0, 0, 0), Vector3D normal=IMP::Vector3D(0, 0, 1))
3251 do_setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf)
3253 return _IMP_core.Surface_do_setup_particle(*args)
3255 def __init__(self, *args):
3257 __init__(Surface self) -> Surface
3258 __init__(Surface self, Model m, ParticleIndex id) -> Surface
3259 __init__(Surface self, _ParticleAdaptor d) -> Surface
3261 _IMP_core.Surface_swiginit(self, _IMP_core.new_Surface(*args))
3263 def show(self, *args):
3264 r"""show(Surface self, _ostream out=std::cout)"""
3265 return _IMP_core.Surface_show(self, *args)
3268 def setup_particle(*args):
3270 setup_particle(Model m, ParticleIndex pi) -> Surface
3271 setup_particle(_ParticleAdaptor pa) -> Surface
3272 setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf) -> Surface
3273 setup_particle(_ParticleAdaptor pa, ReferenceFrame3D rf) -> Surface
3274 setup_particle(Model m, ParticleIndex pi, Vector3D center) -> Surface
3275 setup_particle(_ParticleAdaptor pa, Vector3D center) -> Surface
3276 setup_particle(Model m, ParticleIndex pi, Vector3D center, Vector3D normal) -> Surface
3277 setup_particle(_ParticleAdaptor pa, Vector3D center, Vector3D normal) -> Surface
3279 return _IMP_core.Surface_setup_particle(*args)
3281 def get_normal_x(self):
3282 r"""get_normal_x(Surface self) -> IMP::Float"""
3283 return _IMP_core.Surface_get_normal_x(self)
3285 def set_normal_x(self, t):
3286 r"""set_normal_x(Surface self, IMP::Float t)"""
3287 return _IMP_core.Surface_set_normal_x(self, t)
3289 def get_normal_y(self):
3290 r"""get_normal_y(Surface self) -> IMP::Float"""
3291 return _IMP_core.Surface_get_normal_y(self)
3293 def set_normal_y(self, t):
3294 r"""set_normal_y(Surface self, IMP::Float t)"""
3295 return _IMP_core.Surface_set_normal_y(self, t)
3297 def get_normal_z(self):
3298 r"""get_normal_z(Surface self) -> IMP::Float"""
3299 return _IMP_core.Surface_get_normal_z(self)
3301 def set_normal_z(self, t):
3302 r"""set_normal_z(Surface self, IMP::Float t)"""
3303 return _IMP_core.Surface_set_normal_z(self, t)
3306 def get_is_setup(*args):
3308 get_is_setup(_ParticleAdaptor p) -> bool
3309 get_is_setup(Model m, ParticleIndex pi) -> bool
3311 return _IMP_core.Surface_get_is_setup(*args)
3314 def get_normal_key(i):
3315 r"""get_normal_key(unsigned int i) -> FloatKey"""
3316 return _IMP_core.Surface_get_normal_key(i)
3318 def get_normal_derivative(self, i):
3319 r"""get_normal_derivative(Surface self, int i) -> IMP::Float"""
3320 return _IMP_core.Surface_get_normal_derivative(self, i)
3322 def get_normal_derivatives(self):
3323 r"""get_normal_derivatives(Surface self) -> Vector3D"""
3324 return _IMP_core.Surface_get_normal_derivatives(self)
3326 def add_to_normal_derivative(self, i, v, d):
3327 r"""add_to_normal_derivative(Surface self, int i, IMP::Float v, DerivativeAccumulator d)"""
3328 return _IMP_core.Surface_add_to_normal_derivative(self, i, v, d)
3330 def add_to_normal_derivatives(self, v, d):
3331 r"""add_to_normal_derivatives(Surface self, Vector3D v, DerivativeAccumulator d)"""
3332 return _IMP_core.Surface_add_to_normal_derivatives(self, v, d)
3334 def get_normal_is_optimized(self):
3335 r"""get_normal_is_optimized(Surface self) -> bool"""
3336 return _IMP_core.Surface_get_normal_is_optimized(self)
3338 def set_normal_is_optimized(self, tf):
3339 r"""set_normal_is_optimized(Surface self, bool tf)"""
3340 return _IMP_core.Surface_set_normal_is_optimized(self, tf)
3342 def get_normal(self):
3343 r"""get_normal(Surface self) -> Vector3D"""
3344 return _IMP_core.Surface_get_normal(self)
3346 def set_normal(self, normal):
3347 r"""set_normal(Surface self, Vector3D normal)"""
3348 return _IMP_core.Surface_set_normal(self, normal)
3351 r"""reflect(Surface self)"""
3352 return _IMP_core.Surface_reflect(self)
3355 r"""get_height(Surface self, Vector3D v) -> double"""
3356 return _IMP_core.Surface_get_height(self, v)
3359 r"""get_depth(Surface self, Vector3D v) -> double"""
3360 return _IMP_core.Surface_get_depth(self, v)
3362 def get_distance_to(self, v):
3363 r"""get_distance_to(Surface self, Vector3D v) -> double"""
3364 return _IMP_core.Surface_get_distance_to(self, v)
3366 def get_distance_to_center(self, v):
3367 r"""get_distance_to_center(Surface self, Vector3D v) -> double"""
3368 return _IMP_core.Surface_get_distance_to_center(self, v)
3370 def set_reference_frame(self, rf):
3371 r"""set_reference_frame(Surface self, ReferenceFrame3D rf)"""
3372 return _IMP_core.Surface_set_reference_frame(self, rf)
3374 def get_reference_frame(self):
3375 r"""get_reference_frame(Surface self) -> ReferenceFrame3D"""
3376 return _IMP_core.Surface_get_reference_frame(self)
3378 def get_plane(self):
3379 r"""get_plane(Surface self) -> Plane3D"""
3380 return _IMP_core.Surface_get_plane(self)
3382 def add_attribute(self, *args):
3384 add_attribute(Surface self, FloatKey k, IMP::Float v, bool opt)
3385 add_attribute(Surface self, FloatKey a0, IMP::Float a1)
3386 add_attribute(Surface self, IntKey a0, IMP::Int a1)
3387 add_attribute(Surface self, FloatsKey a0, IMP::Floats a1)
3388 add_attribute(Surface self, IntsKey a0, IMP::Ints a1)
3389 add_attribute(Surface self, StringKey a0, IMP::String a1)
3390 add_attribute(Surface self, ParticleIndexKey a0, Particle a1)
3391 add_attribute(Surface self, ObjectKey a0, Object a1)
3392 add_attribute(Surface self, SparseFloatKey a0, IMP::Float a1)
3393 add_attribute(Surface self, SparseIntKey a0, IMP::Int a1)
3394 add_attribute(Surface self, SparseStringKey a0, IMP::String a1)
3395 add_attribute(Surface self, SparseParticleIndexKey a0, ParticleIndex a1)
3397 return _IMP_core.Surface_add_attribute(self, *args)
3399 def get_value(self, *args):
3401 get_value(Surface self, FloatKey a0) -> IMP::Float
3402 get_value(Surface self, IntKey a0) -> IMP::Int
3403 get_value(Surface self, FloatsKey a0) -> IMP::Floats
3404 get_value(Surface self, IntsKey a0) -> IMP::Ints
3405 get_value(Surface self, StringKey a0) -> IMP::String
3406 get_value(Surface self, ParticleIndexKey a0) -> Particle
3407 get_value(Surface self, ObjectKey a0) -> Object
3408 get_value(Surface self, SparseFloatKey a0) -> IMP::Float
3409 get_value(Surface self, SparseIntKey a0) -> IMP::Int
3410 get_value(Surface self, SparseStringKey a0) -> IMP::String
3411 get_value(Surface self, SparseParticleIndexKey a0) -> ParticleIndex
3413 return _IMP_core.Surface_get_value(self, *args)
3415 def set_value(self, *args):
3417 set_value(Surface self, FloatKey a0, IMP::Float a1)
3418 set_value(Surface self, IntKey a0, IMP::Int a1)
3419 set_value(Surface self, FloatsKey a0, IMP::Floats a1)
3420 set_value(Surface self, IntsKey a0, IMP::Ints a1)
3421 set_value(Surface self, StringKey a0, IMP::String a1)
3422 set_value(Surface self, ParticleIndexKey a0, Particle a1)
3423 set_value(Surface self, ObjectKey a0, Object a1)
3424 set_value(Surface self, SparseFloatKey a0, IMP::Float a1)
3425 set_value(Surface self, SparseIntKey a0, IMP::Int a1)
3426 set_value(Surface self, SparseStringKey a0, IMP::String a1)
3427 set_value(Surface self, SparseParticleIndexKey a0, ParticleIndex a1)
3429 return _IMP_core.Surface_set_value(self, *args)
3431 def remove_attribute(self, *args):
3433 remove_attribute(Surface self, FloatKey a0)
3434 remove_attribute(Surface self, IntKey a0)
3435 remove_attribute(Surface self, FloatsKey a0)
3436 remove_attribute(Surface self, IntsKey a0)
3437 remove_attribute(Surface self, StringKey a0)
3438 remove_attribute(Surface self, ParticleIndexKey a0)
3439 remove_attribute(Surface self, ObjectKey a0)
3440 remove_attribute(Surface self, SparseFloatKey a0)
3441 remove_attribute(Surface self, SparseIntKey a0)
3442 remove_attribute(Surface self, SparseStringKey a0)
3443 remove_attribute(Surface self, SparseParticleIndexKey a0)
3445 return _IMP_core.Surface_remove_attribute(self, *args)
3447 def has_attribute(self, *args):
3449 has_attribute(Surface self, FloatKey a0) -> bool
3450 has_attribute(Surface self, IntKey a0) -> bool
3451 has_attribute(Surface self, FloatsKey a0) -> bool
3452 has_attribute(Surface self, IntsKey a0) -> bool
3453 has_attribute(Surface self, StringKey a0) -> bool
3454 has_attribute(Surface self, ParticleIndexKey a0) -> bool
3455 has_attribute(Surface self, ObjectKey a0) -> bool
3456 has_attribute(Surface self, SparseFloatKey a0) -> bool
3457 has_attribute(Surface self, SparseIntKey a0) -> bool
3458 has_attribute(Surface self, SparseStringKey a0) -> bool
3459 has_attribute(Surface self, SparseParticleIndexKey a0) -> bool
3461 return _IMP_core.Surface_has_attribute(self, *args)
3463 def get_derivative(self, a0):
3464 r"""get_derivative(Surface self, FloatKey a0) -> double"""
3465 return _IMP_core.Surface_get_derivative(self, a0)
3468 r"""get_name(Surface self) -> std::string"""
3469 return _IMP_core.Surface_get_name(self)
3471 def clear_caches(self):
3472 r"""clear_caches(Surface self)"""
3473 return _IMP_core.Surface_clear_caches(self)
3475 def set_name(self, a0):
3476 r"""set_name(Surface self, std::string a0)"""
3477 return _IMP_core.Surface_set_name(self, a0)
3480 r"""set_check_level(Surface self, IMP::CheckLevel a0)"""
3481 return _IMP_core.Surface_set_check_level(self, a0)
3483 def add_to_derivative(self, a0, a1, a2):
3484 r"""add_to_derivative(Surface self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3485 return _IMP_core.Surface_add_to_derivative(self, a0, a1, a2)
3487 def set_is_optimized(self, a0, a1):
3488 r"""set_is_optimized(Surface self, FloatKey a0, bool a1)"""
3489 return _IMP_core.Surface_set_is_optimized(self, a0, a1)
3491 def get_is_optimized(self, a0):
3492 r"""get_is_optimized(Surface self, FloatKey a0) -> bool"""
3493 return _IMP_core.Surface_get_is_optimized(self, a0)
3496 r"""get_check_level(Surface self) -> IMP::CheckLevel"""
3497 return _IMP_core.Surface_get_check_level(self)
3499 def __eq__(self, *args):
3501 __eq__(Surface self, Surface o) -> bool
3502 __eq__(Surface self, Particle d) -> bool
3504 return _IMP_core.Surface___eq__(self, *args)
3506 def __ne__(self, *args):
3508 __ne__(Surface self, Surface o) -> bool
3509 __ne__(Surface self, Particle d) -> bool
3511 return _IMP_core.Surface___ne__(self, *args)
3513 def __le__(self, *args):
3515 __le__(Surface self, Surface o) -> bool
3516 __le__(Surface self, Particle d) -> bool
3518 return _IMP_core.Surface___le__(self, *args)
3520 def __lt__(self, *args):
3522 __lt__(Surface self, Surface o) -> bool
3523 __lt__(Surface self, Particle d) -> bool
3525 return _IMP_core.Surface___lt__(self, *args)
3527 def __ge__(self, *args):
3529 __ge__(Surface self, Surface o) -> bool
3530 __ge__(Surface self, Particle d) -> bool
3532 return _IMP_core.Surface___ge__(self, *args)
3534 def __gt__(self, *args):
3536 __gt__(Surface self, Surface o) -> bool
3537 __gt__(Surface self, Particle d) -> bool
3539 return _IMP_core.Surface___gt__(self, *args)
3542 r"""__hash__(Surface self) -> std::size_t"""
3543 return _IMP_core.Surface___hash__(self)
3546 r"""__str__(Surface self) -> std::string"""
3547 return _IMP_core.Surface___str__(self)
3550 r"""__repr__(Surface self) -> std::string"""
3551 return _IMP_core.Surface___repr__(self)
3553 def _get_as_binary(self):
3554 r"""_get_as_binary(Surface self) -> PyObject *"""
3555 return _IMP_core.Surface__get_as_binary(self)
3557 def _set_from_binary(self, p):
3558 r"""_set_from_binary(Surface self, PyObject * p)"""
3559 return _IMP_core.Surface__set_from_binary(self, p)
3561 def __getstate__(self):
3562 p = self._get_as_binary()
3563 if len(self.__dict__) > 1:
3564 d = self.__dict__.copy()
3569 def __setstate__(self, p):
3570 if not hasattr(self,
'this'):
3572 if isinstance(p, tuple):
3574 self.__dict__.update(d)
3575 return self._set_from_binary(p)
3577 __swig_destroy__ = _IMP_core.delete_Surface
3580 _IMP_core.Surface_swigregister(Surface)
3584 get_height(Surface s, XYZR d) -> double
3585 get_height(Surface s, XYZ d) -> double
3587 return _IMP_core.get_height(*args)
3591 get_depth(Surface s, XYZR d) -> double
3592 get_depth(Surface s, XYZ d) -> double
3594 return _IMP_core.get_depth(*args)
3598 get_distance(XYZ a, XYZ b) -> double
3599 get_distance(XYZR a, XYZR b) -> double
3600 get_distance(Surface s, XYZR d) -> double
3601 get_distance(Surface s, XYZ d) -> double
3603 return _IMP_core.get_distance(*args)
3605 r"""Proxy of C++ IMP::core::SurfaceGeometry class."""
3607 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3609 def __init__(self, *args):
3611 __init__(SurfaceGeometry self, std::string n="SurfaceGeometry") -> SurfaceGeometry
3612 __init__(SurfaceGeometry self, Surface s, std::string const n="SurfaceGeometry") -> SurfaceGeometry
3613 __init__(SurfaceGeometry self, Surface s, Color c, std::string n="SurfaceGeometry") -> SurfaceGeometry
3615 _IMP_core.SurfaceGeometry_swiginit(self, _IMP_core.new_SurfaceGeometry(*args))
3617 def get_geometry(self):
3618 r"""get_geometry(SurfaceGeometry self) -> Surface"""
3619 return _IMP_core.SurfaceGeometry_get_geometry(self)
3621 def set_geometry(self, s):
3622 r"""set_geometry(SurfaceGeometry self, Surface s)"""
3623 return _IMP_core.SurfaceGeometry_set_geometry(self, s)
3625 def get_version_info(self):
3626 r"""get_version_info(SurfaceGeometry self) -> VersionInfo"""
3627 return _IMP_core.SurfaceGeometry_get_version_info(self)
3628 __swig_destroy__ = _IMP_core.delete_SurfaceGeometry
3631 r"""__str__(SurfaceGeometry self) -> std::string"""
3632 return _IMP_core.SurfaceGeometry___str__(self)
3635 r"""__repr__(SurfaceGeometry self) -> std::string"""
3636 return _IMP_core.SurfaceGeometry___repr__(self)
3640 return _object_cast_to_SurfaceGeometry(o)
3644 _IMP_core.SurfaceGeometry_swigregister(SurfaceGeometry)
3647 r"""create_geometry(Surface s, std::string name=std::string("SurfaceGeometry%1%")) -> SurfaceGeometry"""
3648 return _IMP_core.create_geometry(*args)
3650 r"""Proxy of C++ IMP::core::SurfaceGeometryConstraint class."""
3652 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3654 def __init__(self, s, g):
3655 r"""__init__(SurfaceGeometryConstraint self, Surface s, SurfaceGeometry g) -> SurfaceGeometryConstraint"""
3656 _IMP_core.SurfaceGeometryConstraint_swiginit(self, _IMP_core.new_SurfaceGeometryConstraint(s, g))
3658 def get_surface(self):
3659 r"""get_surface(SurfaceGeometryConstraint self) -> Surface"""
3660 return _IMP_core.SurfaceGeometryConstraint_get_surface(self)
3662 def get_geometry(self):
3663 r"""get_geometry(SurfaceGeometryConstraint self) -> SurfaceGeometry"""
3664 return _IMP_core.SurfaceGeometryConstraint_get_geometry(self)
3666 def do_get_inputs(self):
3667 r"""do_get_inputs(SurfaceGeometryConstraint self) -> IMP::ModelObjectsTemp"""
3668 return _IMP_core.SurfaceGeometryConstraint_do_get_inputs(self)
3670 def do_get_outputs(self):
3671 r"""do_get_outputs(SurfaceGeometryConstraint self) -> IMP::ModelObjectsTemp"""
3672 return _IMP_core.SurfaceGeometryConstraint_do_get_outputs(self)
3674 def get_version_info(self):
3675 r"""get_version_info(SurfaceGeometryConstraint self) -> VersionInfo"""
3676 return _IMP_core.SurfaceGeometryConstraint_get_version_info(self)
3677 __swig_destroy__ = _IMP_core.delete_SurfaceGeometryConstraint
3680 r"""__str__(SurfaceGeometryConstraint self) -> std::string"""
3681 return _IMP_core.SurfaceGeometryConstraint___str__(self)
3684 r"""__repr__(SurfaceGeometryConstraint self) -> std::string"""
3685 return _IMP_core.SurfaceGeometryConstraint___repr__(self)
3689 return _object_cast_to_SurfaceGeometryConstraint(o)
3693 _IMP_core.SurfaceGeometryConstraint_swigregister(SurfaceGeometryConstraint)
3696 r"""get_constrained_surface_geometry(Surface s, std::string name="SurfaceGeometry%1%") -> SurfaceGeometry"""
3697 return _IMP_core.get_constrained_surface_geometry(*args)
3699 r"""Proxy of C++ IMP::core::LateralSurfaceConstraint class."""
3701 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3703 def __init__(self, s, d):
3704 r"""__init__(LateralSurfaceConstraint self, Surface s, XYZ d) -> LateralSurfaceConstraint"""
3705 _IMP_core.LateralSurfaceConstraint_swiginit(self, _IMP_core.new_LateralSurfaceConstraint(s, d))
3707 def do_get_inputs(self):
3708 r"""do_get_inputs(LateralSurfaceConstraint self) -> IMP::ModelObjectsTemp"""
3709 return _IMP_core.LateralSurfaceConstraint_do_get_inputs(self)
3711 def do_get_outputs(self):
3712 r"""do_get_outputs(LateralSurfaceConstraint self) -> IMP::ModelObjectsTemp"""
3713 return _IMP_core.LateralSurfaceConstraint_do_get_outputs(self)
3715 def get_version_info(self):
3716 r"""get_version_info(LateralSurfaceConstraint self) -> VersionInfo"""
3717 return _IMP_core.LateralSurfaceConstraint_get_version_info(self)
3718 __swig_destroy__ = _IMP_core.delete_LateralSurfaceConstraint
3721 r"""__str__(LateralSurfaceConstraint self) -> std::string"""
3722 return _IMP_core.LateralSurfaceConstraint___str__(self)
3725 r"""__repr__(LateralSurfaceConstraint self) -> std::string"""
3726 return _IMP_core.LateralSurfaceConstraint___repr__(self)
3730 return _object_cast_to_LateralSurfaceConstraint(o)
3734 _IMP_core.LateralSurfaceConstraint_swigregister(LateralSurfaceConstraint)
3736 r"""Proxy of C++ IMP::core::AngleTripletScore class."""
3738 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3740 def __init__(self, *args):
3742 __init__(AngleTripletScore self, UnaryFunction f) -> AngleTripletScore
3743 __init__(AngleTripletScore self) -> AngleTripletScore
3745 _IMP_core.AngleTripletScore_swiginit(self, _IMP_core.new_AngleTripletScore(*args))
3747 def do_get_inputs(self, m, pis):
3748 r"""do_get_inputs(AngleTripletScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3749 return _IMP_core.AngleTripletScore_do_get_inputs(self, m, pis)
3751 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
3752 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"""
3753 return _IMP_core.AngleTripletScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
3755 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
3756 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"""
3757 return _IMP_core.AngleTripletScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
3759 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
3760 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"""
3761 return _IMP_core.AngleTripletScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
3763 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3764 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"""
3765 return _IMP_core.AngleTripletScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3767 def get_version_info(self):
3768 r"""get_version_info(AngleTripletScore self) -> VersionInfo"""
3769 return _IMP_core.AngleTripletScore_get_version_info(self)
3770 __swig_destroy__ = _IMP_core.delete_AngleTripletScore
3773 r"""__str__(AngleTripletScore self) -> std::string"""
3774 return _IMP_core.AngleTripletScore___str__(self)
3777 r"""__repr__(AngleTripletScore self) -> std::string"""
3778 return _IMP_core.AngleTripletScore___repr__(self)
3782 return _object_cast_to_AngleTripletScore(o)
3785 def _get_as_binary(self):
3786 r"""_get_as_binary(AngleTripletScore self) -> PyObject *"""
3787 return _IMP_core.AngleTripletScore__get_as_binary(self)
3789 def _set_from_binary(self, p):
3790 r"""_set_from_binary(AngleTripletScore self, PyObject * p)"""
3791 return _IMP_core.AngleTripletScore__set_from_binary(self, p)
3793 def __getstate__(self):
3794 p = self._get_as_binary()
3795 if len(self.__dict__) > 1:
3796 d = self.__dict__.copy()
3801 def __setstate__(self, p):
3802 if not hasattr(self,
'this'):
3804 if isinstance(p, tuple):
3806 self.__dict__.update(d)
3807 return self._set_from_binary(p)
3811 _IMP_core.AngleTripletScore_swigregister(AngleTripletScore)
3812 class BallMover(MonteCarloMover):
3813 r"""Proxy of C++ IMP::core::BallMover class."""
3815 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3817 def __init__(self, *args):
3819 __init__(BallMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double radius) -> BallMover
3820 __init__(BallMover self, Model m, ParticleIndex pi, double radius) -> BallMover
3821 __init__(BallMover self, Model m, IMP::ParticleIndexes const & pis, IMP::FloatKeys const & vars, IMP::Float radius) -> BallMover
3822 __init__(BallMover self, Model m, IMP::ParticleIndexes const & pis, IMP::Float radius) -> BallMover
3823 __init__(BallMover self) -> BallMover
3825 _IMP_core.BallMover_swiginit(self, _IMP_core.new_BallMover(*args))
3827 def set_radius(self, radius):
3828 r"""set_radius(BallMover self, IMP::Float radius)"""
3829 return _IMP_core.BallMover_set_radius(self, radius)
3831 def get_radius(self):
3832 r"""get_radius(BallMover self) -> IMP::Float"""
3833 return _IMP_core.BallMover_get_radius(self)
3836 r"""get_indexes(BallMover self) -> IMP::ParticleIndexes"""
3837 return _IMP_core.BallMover_get_indexes(self)
3840 r"""get_keys(BallMover self) -> IMP::FloatKeys"""
3841 return _IMP_core.BallMover_get_keys(self)
3843 def get_version_info(self):
3844 r"""get_version_info(BallMover self) -> VersionInfo"""
3845 return _IMP_core.BallMover_get_version_info(self)
3846 __swig_destroy__ = _IMP_core.delete_BallMover
3849 r"""__str__(BallMover self) -> std::string"""
3850 return _IMP_core.BallMover___str__(self)
3853 r"""__repr__(BallMover self) -> std::string"""
3854 return _IMP_core.BallMover___repr__(self)
3858 return _object_cast_to_BallMover(o)
3861 def _get_as_binary(self):
3862 r"""_get_as_binary(BallMover self) -> PyObject *"""
3863 return _IMP_core.BallMover__get_as_binary(self)
3865 def _set_from_binary(self, p):
3866 r"""_set_from_binary(BallMover self, PyObject * p)"""
3867 return _IMP_core.BallMover__set_from_binary(self, p)
3869 def __getstate__(self):
3870 p = self._get_as_binary()
3871 if len(self.__dict__) > 1:
3872 d = self.__dict__.copy()
3877 def __setstate__(self, p):
3878 if not hasattr(self,
'this'):
3880 if isinstance(p, tuple):
3882 self.__dict__.update(d)
3883 return self._set_from_binary(p)
3888 from IMP.algebra._jax_util
import get_random_vector_in_3d_sphere
3889 indexes = self.get_indexes()
3890 keys = frozenset(self.get_keys())
3893 elif keys == frozenset(
3897 raise NotImplementedError(
3898 "Only works for XYZ or internal coordinates")
3899 radius = self.get_radius()
3904 def propose_func(jm, key):
3905 key, subkey = jax.random.split(key)
3906 v = get_random_vector_in_3d_sphere(subkey, radius)
3908 rbs = jm[
'rigid_bodies']
3909 rbs.intcoord = rbs.intcoord.at[indexes].add(v)
3911 jm[
'xyz'] = jm[
'xyz'].at[indexes].add(v)
3913 return self._wrap_jax(init_func, propose_func,
3914 keys=[
'rigid_bodies']
if intcoord
else None)
3918 _IMP_core.BallMover_swigregister(BallMover)
3919 class SerialMover(MonteCarloMover):
3920 r"""Proxy of C++ IMP::core::SerialMover class."""
3922 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3924 def __init__(self, *args):
3926 __init__(SerialMover self, IMP::core::MonteCarloMoversTemp const & mvs) -> SerialMover
3927 __init__(SerialMover self) -> SerialMover
3929 _IMP_core.SerialMover_swiginit(self, _IMP_core.new_SerialMover(*args))
3931 def get_movers(self):
3932 r"""get_movers(SerialMover self) -> IMP::core::MonteCarloMovers const &"""
3933 return _IMP_core.SerialMover_get_movers(self)
3935 def get_version_info(self):
3936 r"""get_version_info(SerialMover self) -> VersionInfo"""
3937 return _IMP_core.SerialMover_get_version_info(self)
3938 __swig_destroy__ = _IMP_core.delete_SerialMover
3941 r"""__str__(SerialMover self) -> std::string"""
3942 return _IMP_core.SerialMover___str__(self)
3945 r"""__repr__(SerialMover self) -> std::string"""
3946 return _IMP_core.SerialMover___repr__(self)
3950 return _object_cast_to_SerialMover(o)
3953 def _get_as_binary(self):
3954 r"""_get_as_binary(SerialMover self) -> PyObject *"""
3955 return _IMP_core.SerialMover__get_as_binary(self)
3957 def _set_from_binary(self, p):
3958 r"""_set_from_binary(SerialMover self, PyObject * p)"""
3959 return _IMP_core.SerialMover__set_from_binary(self, p)
3961 def __getstate__(self):
3962 p = self._get_as_binary()
3963 if len(self.__dict__) > 1:
3964 d = self.__dict__.copy()
3969 def __setstate__(self, p):
3970 if not hasattr(self,
'this'):
3972 if isinstance(p, tuple):
3974 self.__dict__.update(d)
3975 return self._set_from_binary(p)
3981 import jax.numpy
as jnp
3982 from IMP.core._jax_util
import _SerialMover
3983 movers = [m.get_derived_object()._get_jax()
3984 for m
in self.get_movers()]
3986 def sub_propose_func(jm, sms, i):
3987 """Call the propose_func of the ith mover"""
3988 jm, sms.mover_state[i], ratio = movers[i].propose_func(
3989 jm, sms.mover_state[i])
3990 sms.proposed_mover_steps = sms.proposed_mover_steps.at[i].add(1)
3991 return jm, sms, ratio
3993 sub_propose_funcs = [functools.partial(sub_propose_func, i=i)
3994 for i
in range(len(movers))]
4000 key, subkey = jax.random.split(key)
4001 mover_state.append(m.init_func(subkey))
4002 return _SerialMover(
4003 imov=-1, mover_state=mover_state,
4004 proposed_mover_steps=jnp.zeros(len(movers), dtype=int),
4005 accepted_mover_steps=jnp.zeros(len(movers), dtype=int))
4007 def propose_func(jm, sms):
4008 sms.imov = jnp.mod(sms.imov + 1, len(movers))
4009 return jax.lax.switch(sms.imov, sub_propose_funcs, jm, sms)
4011 def accept_func(sms):
4013 sms.accepted_mover_steps = \
4014 sms.accepted_mover_steps.at[sms.imov].add(1)
4017 def sync_func(imp_mover, sms):
4019 for i, mover
in enumerate(imp_mover.get_movers()):
4020 mover.add_to_statistics(
4021 sms.proposed_mover_steps[i],
4022 sms.proposed_mover_steps[i] - sms.accepted_mover_steps[i])
4024 return self._wrap_jax(
4025 init_func, propose_func, accept_func, sync_func,
4026 keys=frozenset(x
for m
in movers
for x
in m._keys))
4030 _IMP_core.SerialMover_swigregister(SerialMover)
4031 class SubsetMover(MonteCarloMover):
4032 r"""Proxy of C++ IMP::core::SubsetMover class."""
4034 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4036 def __init__(self, *args):
4038 __init__(SubsetMover self, IMP::core::MonteCarloMoversTemp const & mvs, unsigned int n) -> SubsetMover
4039 __init__(SubsetMover self) -> SubsetMover
4041 _IMP_core.SubsetMover_swiginit(self, _IMP_core.new_SubsetMover(*args))
4043 def get_movers(self):
4044 r"""get_movers(SubsetMover self) -> IMP::core::MonteCarloMovers const &"""
4045 return _IMP_core.SubsetMover_get_movers(self)
4047 def get_subset_size(self):
4048 r"""get_subset_size(SubsetMover self) -> unsigned int"""
4049 return _IMP_core.SubsetMover_get_subset_size(self)
4051 def get_version_info(self):
4052 r"""get_version_info(SubsetMover self) -> VersionInfo"""
4053 return _IMP_core.SubsetMover_get_version_info(self)
4054 __swig_destroy__ = _IMP_core.delete_SubsetMover
4057 r"""__str__(SubsetMover self) -> std::string"""
4058 return _IMP_core.SubsetMover___str__(self)
4061 r"""__repr__(SubsetMover self) -> std::string"""
4062 return _IMP_core.SubsetMover___repr__(self)
4066 return _object_cast_to_SubsetMover(o)
4069 def _get_as_binary(self):
4070 r"""_get_as_binary(SubsetMover self) -> PyObject *"""
4071 return _IMP_core.SubsetMover__get_as_binary(self)
4073 def _set_from_binary(self, p):
4074 r"""_set_from_binary(SubsetMover self, PyObject * p)"""
4075 return _IMP_core.SubsetMover__set_from_binary(self, p)
4077 def __getstate__(self):
4078 p = self._get_as_binary()
4079 if len(self.__dict__) > 1:
4080 d = self.__dict__.copy()
4085 def __setstate__(self, p):
4086 if not hasattr(self,
'this'):
4088 if isinstance(p, tuple):
4090 self.__dict__.update(d)
4091 return self._set_from_binary(p)
4095 _IMP_core.SubsetMover_swigregister(SubsetMover)
4096 class DirectionMover(MonteCarloMover):
4097 r"""Proxy of C++ IMP::core::DirectionMover class."""
4099 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4101 def __init__(self, *args):
4103 __init__(DirectionMover self, Model m, ParticleIndex pi, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4104 __init__(DirectionMover self, Direction d, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4105 __init__(DirectionMover self) -> DirectionMover
4107 _IMP_core.DirectionMover_swiginit(self, _IMP_core.new_DirectionMover(*args))
4109 def set_maximum_rotation(self, mr):
4110 r"""set_maximum_rotation(DirectionMover self, IMP::Float mr)"""
4111 return _IMP_core.DirectionMover_set_maximum_rotation(self, mr)
4113 def set_reflect_probability(self, rp):
4114 r"""set_reflect_probability(DirectionMover self, IMP::Float rp)"""
4115 return _IMP_core.DirectionMover_set_reflect_probability(self, rp)
4117 def get_maximum_rotation(self):
4118 r"""get_maximum_rotation(DirectionMover self) -> IMP::Float"""
4119 return _IMP_core.DirectionMover_get_maximum_rotation(self)
4121 def get_reflect_probability(self):
4122 r"""get_reflect_probability(DirectionMover self) -> IMP::Float"""
4123 return _IMP_core.DirectionMover_get_reflect_probability(self)
4125 def get_direction(self):
4126 r"""get_direction(DirectionMover self) -> Direction"""
4127 return _IMP_core.DirectionMover_get_direction(self)
4129 def get_version_info(self):
4130 r"""get_version_info(DirectionMover self) -> VersionInfo"""
4131 return _IMP_core.DirectionMover_get_version_info(self)
4132 __swig_destroy__ = _IMP_core.delete_DirectionMover
4135 r"""__str__(DirectionMover self) -> std::string"""
4136 return _IMP_core.DirectionMover___str__(self)
4139 r"""__repr__(DirectionMover self) -> std::string"""
4140 return _IMP_core.DirectionMover___repr__(self)
4144 return _object_cast_to_DirectionMover(o)
4147 def _get_as_binary(self):
4148 r"""_get_as_binary(DirectionMover self) -> PyObject *"""
4149 return _IMP_core.DirectionMover__get_as_binary(self)
4151 def _set_from_binary(self, p):
4152 r"""_set_from_binary(DirectionMover self, PyObject * p)"""
4153 return _IMP_core.DirectionMover__set_from_binary(self, p)
4155 def __getstate__(self):
4156 p = self._get_as_binary()
4157 if len(self.__dict__) > 1:
4158 d = self.__dict__.copy()
4163 def __setstate__(self, p):
4164 if not hasattr(self,
'this'):
4166 if isinstance(p, tuple):
4168 self.__dict__.update(d)
4169 return self._set_from_binary(p)
4173 _IMP_core.DirectionMover_swigregister(DirectionMover)
4174 class SurfaceMover(MonteCarloMover):
4175 r"""Proxy of C++ IMP::core::SurfaceMover class."""
4177 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4179 def __init__(self, *args):
4181 __init__(SurfaceMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4182 __init__(SurfaceMover self, Surface s, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4183 __init__(SurfaceMover self) -> SurfaceMover
4185 _IMP_core.SurfaceMover_swiginit(self, _IMP_core.new_SurfaceMover(*args))
4187 def set_maximum_translation(self, mt):
4188 r"""set_maximum_translation(SurfaceMover self, IMP::Float mt)"""
4189 return _IMP_core.SurfaceMover_set_maximum_translation(self, mt)
4191 def set_maximum_rotation(self, mr):
4192 r"""set_maximum_rotation(SurfaceMover self, IMP::Float mr)"""
4193 return _IMP_core.SurfaceMover_set_maximum_rotation(self, mr)
4195 def set_reflect_probability(self, rp):
4196 r"""set_reflect_probability(SurfaceMover self, IMP::Float rp)"""
4197 return _IMP_core.SurfaceMover_set_reflect_probability(self, rp)
4199 def get_maximum_translation(self):
4200 r"""get_maximum_translation(SurfaceMover self) -> IMP::Float"""
4201 return _IMP_core.SurfaceMover_get_maximum_translation(self)
4203 def get_maximum_rotation(self):
4204 r"""get_maximum_rotation(SurfaceMover self) -> IMP::Float"""
4205 return _IMP_core.SurfaceMover_get_maximum_rotation(self)
4207 def get_reflect_probability(self):
4208 r"""get_reflect_probability(SurfaceMover self) -> IMP::Float"""
4209 return _IMP_core.SurfaceMover_get_reflect_probability(self)
4211 def get_surface(self):
4212 r"""get_surface(SurfaceMover self) -> Surface"""
4213 return _IMP_core.SurfaceMover_get_surface(self)
4215 def get_version_info(self):
4216 r"""get_version_info(SurfaceMover self) -> VersionInfo"""
4217 return _IMP_core.SurfaceMover_get_version_info(self)
4218 __swig_destroy__ = _IMP_core.delete_SurfaceMover
4221 r"""__str__(SurfaceMover self) -> std::string"""
4222 return _IMP_core.SurfaceMover___str__(self)
4225 r"""__repr__(SurfaceMover self) -> std::string"""
4226 return _IMP_core.SurfaceMover___repr__(self)
4230 return _object_cast_to_SurfaceMover(o)
4233 def _get_as_binary(self):
4234 r"""_get_as_binary(SurfaceMover self) -> PyObject *"""
4235 return _IMP_core.SurfaceMover__get_as_binary(self)
4237 def _set_from_binary(self, p):
4238 r"""_set_from_binary(SurfaceMover self, PyObject * p)"""
4239 return _IMP_core.SurfaceMover__set_from_binary(self, p)
4241 def __getstate__(self):
4242 p = self._get_as_binary()
4243 if len(self.__dict__) > 1:
4244 d = self.__dict__.copy()
4249 def __setstate__(self, p):
4250 if not hasattr(self,
'this'):
4252 if isinstance(p, tuple):
4254 self.__dict__.update(d)
4255 return self._set_from_binary(p)
4259 _IMP_core.SurfaceMover_swigregister(SurfaceMover)
4260 class BoxSweepClosePairsFinder(ClosePairsFinder):
4261 r"""Proxy of C++ IMP::core::BoxSweepClosePairsFinder class."""
4263 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4266 r"""__init__(BoxSweepClosePairsFinder self) -> BoxSweepClosePairsFinder"""
4267 _IMP_core.BoxSweepClosePairsFinder_swiginit(self, _IMP_core.new_BoxSweepClosePairsFinder())
4269 def get_close_pairs(self, *args):
4271 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4272 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4273 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
4274 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
4276 return _IMP_core.BoxSweepClosePairsFinder_get_close_pairs(self, *args)
4278 def do_get_inputs(self, m, pis):
4279 r"""do_get_inputs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4280 return _IMP_core.BoxSweepClosePairsFinder_do_get_inputs(self, m, pis)
4282 def get_version_info(self):
4283 r"""get_version_info(BoxSweepClosePairsFinder self) -> VersionInfo"""
4284 return _IMP_core.BoxSweepClosePairsFinder_get_version_info(self)
4285 __swig_destroy__ = _IMP_core.delete_BoxSweepClosePairsFinder
4288 r"""__str__(BoxSweepClosePairsFinder self) -> std::string"""
4289 return _IMP_core.BoxSweepClosePairsFinder___str__(self)
4292 r"""__repr__(BoxSweepClosePairsFinder self) -> std::string"""
4293 return _IMP_core.BoxSweepClosePairsFinder___repr__(self)
4297 return _object_cast_to_BoxSweepClosePairsFinder(o)
4301 _IMP_core.BoxSweepClosePairsFinder_swigregister(BoxSweepClosePairsFinder)
4303 r"""Proxy of C++ IMP::core::CentroidOfRefined class."""
4305 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4307 def __init__(self, *args):
4309 __init__(CentroidOfRefined self, Refiner r, FloatKey weight=IMP::FloatKey(), IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> CentroidOfRefined
4310 __init__(CentroidOfRefined self) -> CentroidOfRefined
4312 _IMP_core.CentroidOfRefined_swiginit(self, _IMP_core.new_CentroidOfRefined(*args))
4314 def get_refiner(self):
4315 r"""get_refiner(CentroidOfRefined self) -> Refiner"""
4316 return _IMP_core.CentroidOfRefined_get_refiner(self)
4318 def get_weight(self):
4319 r"""get_weight(CentroidOfRefined self) -> FloatKey"""
4320 return _IMP_core.CentroidOfRefined_get_weight(self)
4323 r"""get_keys(CentroidOfRefined self) -> IMP::FloatKeys"""
4324 return _IMP_core.CentroidOfRefined_get_keys(self)
4326 def get_is_weight_null(self):
4327 r"""get_is_weight_null(CentroidOfRefined self) -> bool"""
4328 return _IMP_core.CentroidOfRefined_get_is_weight_null(self)
4330 def do_get_inputs(self, m, pis):
4331 r"""do_get_inputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4332 return _IMP_core.CentroidOfRefined_do_get_inputs(self, m, pis)
4334 def do_get_outputs(self, m, pis):
4335 r"""do_get_outputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4336 return _IMP_core.CentroidOfRefined_do_get_outputs(self, m, pis)
4338 def get_version_info(self):
4339 r"""get_version_info(CentroidOfRefined self) -> VersionInfo"""
4340 return _IMP_core.CentroidOfRefined_get_version_info(self)
4341 __swig_destroy__ = _IMP_core.delete_CentroidOfRefined
4344 r"""__str__(CentroidOfRefined self) -> std::string"""
4345 return _IMP_core.CentroidOfRefined___str__(self)
4348 r"""__repr__(CentroidOfRefined self) -> std::string"""
4349 return _IMP_core.CentroidOfRefined___repr__(self)
4353 return _object_cast_to_CentroidOfRefined(o)
4356 def _get_as_binary(self):
4357 r"""_get_as_binary(CentroidOfRefined self) -> PyObject *"""
4358 return _IMP_core.CentroidOfRefined__get_as_binary(self)
4360 def _set_from_binary(self, p):
4361 r"""_set_from_binary(CentroidOfRefined self, PyObject * p)"""
4362 return _IMP_core.CentroidOfRefined__set_from_binary(self, p)
4364 def __getstate__(self):
4365 p = self._get_as_binary()
4366 if len(self.__dict__) > 1:
4367 d = self.__dict__.copy()
4372 def __setstate__(self, p):
4373 if not hasattr(self,
'this'):
4375 if isinstance(p, tuple):
4377 self.__dict__.update(d)
4378 return self._set_from_binary(p)
4381 def _get_jax(self, m, indexes):
4382 import jax.numpy
as jnp
4385 for index
in indexes]
4387 def apply_func_unweighted(jm):
4388 for ind, ref
in zip(indexes, refined):
4390 jm[
'xyz'] = xyz.at[ind].set(jnp.average(xyz[ref], axis=0))
4393 def apply_func_weighted(jm, weight_key):
4394 for ind, ref
in zip(indexes, refined):
4396 weights = jm[weight_key][ref]
4397 jm[
'xyz'] = xyz.at[ind].set(
4398 jnp.average(xyz[ref], axis=0, weights=weights))
4401 keys = frozenset(self.get_keys())
4403 raise NotImplementedError(
"Only works for XYZ")
4405 if self.get_is_weight_null():
4406 return self._wrap_jax(apply_func_unweighted)
4408 weight_key = self.get_weight()
4409 return self._wrap_jax(
4410 functools.partial(apply_func_weighted,
4411 weight_key=weight_key.get_string()),
4416 _IMP_core.CentroidOfRefined_swigregister(CentroidOfRefined)
4417 class Centroid(XYZ):
4418 r"""Proxy of C++ IMP::core::Centroid class."""
4420 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4422 def get_constraint(self):
4423 r"""get_constraint(Centroid self) -> Constraint"""
4424 return _IMP_core.Centroid_get_constraint(self)
4426 def __init__(self, *args):
4428 __init__(Centroid self) -> Centroid
4429 __init__(Centroid self, Model m, ParticleIndex id) -> Centroid
4430 __init__(Centroid self, _ParticleAdaptor d) -> Centroid
4432 _IMP_core.Centroid_swiginit(self, _IMP_core.new_Centroid(*args))
4434 def show(self, *args):
4435 r"""show(Centroid self, _ostream out=std::cout)"""
4436 return _IMP_core.Centroid_show(self, *args)
4439 def setup_particle(*args):
4441 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Centroid
4442 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Centroid
4443 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Centroid
4444 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Centroid
4446 return _IMP_core.Centroid_setup_particle(*args)
4449 def get_is_setup(*args):
4451 get_is_setup(_ParticleAdaptor p) -> bool
4452 get_is_setup(Model m, ParticleIndex pi) -> bool
4454 return _IMP_core.Centroid_get_is_setup(*args)
4456 def add_attribute(self, *args):
4458 add_attribute(Centroid self, FloatKey k, IMP::Float v, bool opt)
4459 add_attribute(Centroid self, FloatKey a0, IMP::Float a1)
4460 add_attribute(Centroid self, IntKey a0, IMP::Int a1)
4461 add_attribute(Centroid self, FloatsKey a0, IMP::Floats a1)
4462 add_attribute(Centroid self, IntsKey a0, IMP::Ints a1)
4463 add_attribute(Centroid self, StringKey a0, IMP::String a1)
4464 add_attribute(Centroid self, ParticleIndexKey a0, Particle a1)
4465 add_attribute(Centroid self, ObjectKey a0, Object a1)
4466 add_attribute(Centroid self, SparseFloatKey a0, IMP::Float a1)
4467 add_attribute(Centroid self, SparseIntKey a0, IMP::Int a1)
4468 add_attribute(Centroid self, SparseStringKey a0, IMP::String a1)
4469 add_attribute(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4471 return _IMP_core.Centroid_add_attribute(self, *args)
4473 def get_value(self, *args):
4475 get_value(Centroid self, FloatKey a0) -> IMP::Float
4476 get_value(Centroid self, IntKey a0) -> IMP::Int
4477 get_value(Centroid self, FloatsKey a0) -> IMP::Floats
4478 get_value(Centroid self, IntsKey a0) -> IMP::Ints
4479 get_value(Centroid self, StringKey a0) -> IMP::String
4480 get_value(Centroid self, ParticleIndexKey a0) -> Particle
4481 get_value(Centroid self, ObjectKey a0) -> Object
4482 get_value(Centroid self, SparseFloatKey a0) -> IMP::Float
4483 get_value(Centroid self, SparseIntKey a0) -> IMP::Int
4484 get_value(Centroid self, SparseStringKey a0) -> IMP::String
4485 get_value(Centroid self, SparseParticleIndexKey a0) -> ParticleIndex
4487 return _IMP_core.Centroid_get_value(self, *args)
4489 def set_value(self, *args):
4491 set_value(Centroid self, FloatKey a0, IMP::Float a1)
4492 set_value(Centroid self, IntKey a0, IMP::Int a1)
4493 set_value(Centroid self, FloatsKey a0, IMP::Floats a1)
4494 set_value(Centroid self, IntsKey a0, IMP::Ints a1)
4495 set_value(Centroid self, StringKey a0, IMP::String a1)
4496 set_value(Centroid self, ParticleIndexKey a0, Particle a1)
4497 set_value(Centroid self, ObjectKey a0, Object a1)
4498 set_value(Centroid self, SparseFloatKey a0, IMP::Float a1)
4499 set_value(Centroid self, SparseIntKey a0, IMP::Int a1)
4500 set_value(Centroid self, SparseStringKey a0, IMP::String a1)
4501 set_value(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4503 return _IMP_core.Centroid_set_value(self, *args)
4505 def remove_attribute(self, *args):
4507 remove_attribute(Centroid self, FloatKey a0)
4508 remove_attribute(Centroid self, IntKey a0)
4509 remove_attribute(Centroid self, FloatsKey a0)
4510 remove_attribute(Centroid self, IntsKey a0)
4511 remove_attribute(Centroid self, StringKey a0)
4512 remove_attribute(Centroid self, ParticleIndexKey a0)
4513 remove_attribute(Centroid self, ObjectKey a0)
4514 remove_attribute(Centroid self, SparseFloatKey a0)
4515 remove_attribute(Centroid self, SparseIntKey a0)
4516 remove_attribute(Centroid self, SparseStringKey a0)
4517 remove_attribute(Centroid self, SparseParticleIndexKey a0)
4519 return _IMP_core.Centroid_remove_attribute(self, *args)
4521 def has_attribute(self, *args):
4523 has_attribute(Centroid self, FloatKey a0) -> bool
4524 has_attribute(Centroid self, IntKey a0) -> bool
4525 has_attribute(Centroid self, FloatsKey a0) -> bool
4526 has_attribute(Centroid self, IntsKey a0) -> bool
4527 has_attribute(Centroid self, StringKey a0) -> bool
4528 has_attribute(Centroid self, ParticleIndexKey a0) -> bool
4529 has_attribute(Centroid self, ObjectKey a0) -> bool
4530 has_attribute(Centroid self, SparseFloatKey a0) -> bool
4531 has_attribute(Centroid self, SparseIntKey a0) -> bool
4532 has_attribute(Centroid self, SparseStringKey a0) -> bool
4533 has_attribute(Centroid self, SparseParticleIndexKey a0) -> bool
4535 return _IMP_core.Centroid_has_attribute(self, *args)
4537 def get_derivative(self, a0):
4538 r"""get_derivative(Centroid self, FloatKey a0) -> double"""
4539 return _IMP_core.Centroid_get_derivative(self, a0)
4542 r"""get_name(Centroid self) -> std::string"""
4543 return _IMP_core.Centroid_get_name(self)
4545 def clear_caches(self):
4546 r"""clear_caches(Centroid self)"""
4547 return _IMP_core.Centroid_clear_caches(self)
4549 def set_name(self, a0):
4550 r"""set_name(Centroid self, std::string a0)"""
4551 return _IMP_core.Centroid_set_name(self, a0)
4554 r"""set_check_level(Centroid self, IMP::CheckLevel a0)"""
4555 return _IMP_core.Centroid_set_check_level(self, a0)
4557 def add_to_derivative(self, a0, a1, a2):
4558 r"""add_to_derivative(Centroid self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4559 return _IMP_core.Centroid_add_to_derivative(self, a0, a1, a2)
4561 def set_is_optimized(self, a0, a1):
4562 r"""set_is_optimized(Centroid self, FloatKey a0, bool a1)"""
4563 return _IMP_core.Centroid_set_is_optimized(self, a0, a1)
4565 def get_is_optimized(self, a0):
4566 r"""get_is_optimized(Centroid self, FloatKey a0) -> bool"""
4567 return _IMP_core.Centroid_get_is_optimized(self, a0)
4570 r"""get_check_level(Centroid self) -> IMP::CheckLevel"""
4571 return _IMP_core.Centroid_get_check_level(self)
4573 def __eq__(self, *args):
4575 __eq__(Centroid self, Centroid o) -> bool
4576 __eq__(Centroid self, Particle d) -> bool
4578 return _IMP_core.Centroid___eq__(self, *args)
4580 def __ne__(self, *args):
4582 __ne__(Centroid self, Centroid o) -> bool
4583 __ne__(Centroid self, Particle d) -> bool
4585 return _IMP_core.Centroid___ne__(self, *args)
4587 def __le__(self, *args):
4589 __le__(Centroid self, Centroid o) -> bool
4590 __le__(Centroid self, Particle d) -> bool
4592 return _IMP_core.Centroid___le__(self, *args)
4594 def __lt__(self, *args):
4596 __lt__(Centroid self, Centroid o) -> bool
4597 __lt__(Centroid self, Particle d) -> bool
4599 return _IMP_core.Centroid___lt__(self, *args)
4601 def __ge__(self, *args):
4603 __ge__(Centroid self, Centroid o) -> bool
4604 __ge__(Centroid self, Particle d) -> bool
4606 return _IMP_core.Centroid___ge__(self, *args)
4608 def __gt__(self, *args):
4610 __gt__(Centroid self, Centroid o) -> bool
4611 __gt__(Centroid self, Particle d) -> bool
4613 return _IMP_core.Centroid___gt__(self, *args)
4616 r"""__hash__(Centroid self) -> std::size_t"""
4617 return _IMP_core.Centroid___hash__(self)
4620 r"""__str__(Centroid self) -> std::string"""
4621 return _IMP_core.Centroid___str__(self)
4624 r"""__repr__(Centroid self) -> std::string"""
4625 return _IMP_core.Centroid___repr__(self)
4627 def _get_as_binary(self):
4628 r"""_get_as_binary(Centroid self) -> PyObject *"""
4629 return _IMP_core.Centroid__get_as_binary(self)
4631 def _set_from_binary(self, p):
4632 r"""_set_from_binary(Centroid self, PyObject * p)"""
4633 return _IMP_core.Centroid__set_from_binary(self, p)
4635 def __getstate__(self):
4636 p = self._get_as_binary()
4637 if len(self.__dict__) > 1:
4638 d = self.__dict__.copy()
4643 def __setstate__(self, p):
4644 if not hasattr(self,
'this'):
4646 if isinstance(p, tuple):
4648 self.__dict__.update(d)
4649 return self._set_from_binary(p)
4651 __swig_destroy__ = _IMP_core.delete_Centroid
4654 _IMP_core.Centroid_swigregister(Centroid)
4656 r"""Proxy of C++ IMP::core::ChecksScoreState class."""
4658 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4660 def __init__(self, *args):
4662 __init__(ChecksScoreState self, Model m, double probability) -> ChecksScoreState
4663 __init__(ChecksScoreState self) -> ChecksScoreState
4665 _IMP_core.ChecksScoreState_swiginit(self, _IMP_core.new_ChecksScoreState(*args))
4667 def get_number_of_checked(self):
4668 r"""get_number_of_checked(ChecksScoreState self) -> unsigned int"""
4669 return _IMP_core.ChecksScoreState_get_number_of_checked(self)
4671 def do_before_evaluate(self):
4672 r"""do_before_evaluate(ChecksScoreState self)"""
4673 return _IMP_core.ChecksScoreState_do_before_evaluate(self)
4675 def do_after_evaluate(self, da):
4676 r"""do_after_evaluate(ChecksScoreState self, DerivativeAccumulator da)"""
4677 return _IMP_core.ChecksScoreState_do_after_evaluate(self, da)
4679 def do_get_outputs(self):
4680 r"""do_get_outputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4681 return _IMP_core.ChecksScoreState_do_get_outputs(self)
4683 def do_get_inputs(self):
4684 r"""do_get_inputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4685 return _IMP_core.ChecksScoreState_do_get_inputs(self)
4687 def get_version_info(self):
4688 r"""get_version_info(ChecksScoreState self) -> VersionInfo"""
4689 return _IMP_core.ChecksScoreState_get_version_info(self)
4690 __swig_destroy__ = _IMP_core.delete_ChecksScoreState
4693 r"""__str__(ChecksScoreState self) -> std::string"""
4694 return _IMP_core.ChecksScoreState___str__(self)
4697 r"""__repr__(ChecksScoreState self) -> std::string"""
4698 return _IMP_core.ChecksScoreState___repr__(self)
4702 return _object_cast_to_ChecksScoreState(o)
4705 def _get_as_binary(self):
4706 r"""_get_as_binary(ChecksScoreState self) -> PyObject *"""
4707 return _IMP_core.ChecksScoreState__get_as_binary(self)
4709 def _set_from_binary(self, p):
4710 r"""_set_from_binary(ChecksScoreState self, PyObject * p)"""
4711 return _IMP_core.ChecksScoreState__set_from_binary(self, p)
4713 def __getstate__(self):
4714 p = self._get_as_binary()
4715 if len(self.__dict__) > 1:
4716 d = self.__dict__.copy()
4721 def __setstate__(self, p):
4722 if not hasattr(self,
'this'):
4724 if isinstance(p, tuple):
4726 self.__dict__.update(d)
4727 return self._set_from_binary(p)
4731 _IMP_core.ChecksScoreState_swigregister(ChecksScoreState)
4733 r"""Proxy of C++ IMP::core::ChildrenRefiner class."""
4735 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4737 def __init__(self, tr):
4738 r"""__init__(ChildrenRefiner self, HierarchyTraits tr) -> ChildrenRefiner"""
4739 _IMP_core.ChildrenRefiner_swiginit(self, _IMP_core.new_ChildrenRefiner(tr))
4741 def do_get_inputs(self, m, pis):
4742 r"""do_get_inputs(ChildrenRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4743 return _IMP_core.ChildrenRefiner_do_get_inputs(self, m, pis)
4745 def get_version_info(self):
4746 r"""get_version_info(ChildrenRefiner self) -> VersionInfo"""
4747 return _IMP_core.ChildrenRefiner_get_version_info(self)
4748 __swig_destroy__ = _IMP_core.delete_ChildrenRefiner
4751 r"""__str__(ChildrenRefiner self) -> std::string"""
4752 return _IMP_core.ChildrenRefiner___str__(self)
4755 r"""__repr__(ChildrenRefiner self) -> std::string"""
4756 return _IMP_core.ChildrenRefiner___repr__(self)
4760 return _object_cast_to_ChildrenRefiner(o)
4764 _IMP_core.ChildrenRefiner_swigregister(ChildrenRefiner)
4766 r"""Proxy of C++ IMP::core::ClosedCubicSpline class."""
4768 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4770 def __init__(self, values, minrange, spacing):
4771 r"""__init__(ClosedCubicSpline self, IMP::Floats const & values, double minrange, double spacing) -> ClosedCubicSpline"""
4772 _IMP_core.ClosedCubicSpline_swiginit(self, _IMP_core.new_ClosedCubicSpline(values, minrange, spacing))
4774 def get_version_info(self):
4775 r"""get_version_info(ClosedCubicSpline self) -> VersionInfo"""
4776 return _IMP_core.ClosedCubicSpline_get_version_info(self)
4777 __swig_destroy__ = _IMP_core.delete_ClosedCubicSpline
4779 def do_show(self, out):
4780 r"""do_show(ClosedCubicSpline self, _ostream out)"""
4781 return _IMP_core.ClosedCubicSpline_do_show(self, out)
4783 def get_minrange(self):
4784 r"""get_minrange(ClosedCubicSpline self) -> IMP::Float"""
4785 return _IMP_core.ClosedCubicSpline_get_minrange(self)
4787 def get_spacing(self):
4788 r"""get_spacing(ClosedCubicSpline self) -> IMP::Float"""
4789 return _IMP_core.ClosedCubicSpline_get_spacing(self)
4791 def get_values(self):
4792 r"""get_values(ClosedCubicSpline self) -> IMP::Floats"""
4793 return _IMP_core.ClosedCubicSpline_get_values(self)
4795 def get_second_derivatives(self):
4796 r"""get_second_derivatives(ClosedCubicSpline self) -> IMP::Floats"""
4797 return _IMP_core.ClosedCubicSpline_get_second_derivatives(self)
4800 r"""__str__(ClosedCubicSpline self) -> std::string"""
4801 return _IMP_core.ClosedCubicSpline___str__(self)
4804 r"""__repr__(ClosedCubicSpline self) -> std::string"""
4805 return _IMP_core.ClosedCubicSpline___repr__(self)
4809 return _object_cast_to_ClosedCubicSpline(o)
4813 import jax.numpy
as jnp
4814 from IMP.core._jax_util
import _spline
4815 def score(feature, minrange, spacing, values, second_derivs):
4817 lowbin = jnp.array((feature - minrange) / spacing, dtype=int)
4819 highbin = jnp.remainder(lowbin + 1, len(values))
4820 return _spline(feature, minrange, lowbin, highbin, spacing,
4821 values, second_derivs)
4822 return functools.partial(
4823 score, minrange=self.get_minrange(),
4824 spacing=self.get_spacing(), values=jnp.asarray(self.get_values()),
4825 second_derivs=jnp.asarray(self.get_second_derivatives()))
4829 _IMP_core.ClosedCubicSpline_swigregister(ClosedCubicSpline)
4831 r"""Proxy of C++ IMP::core::KClosePairsPairScore class."""
4833 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4835 def __init__(self, f, r, k=1):
4836 r"""__init__(KClosePairsPairScore self, PairScore f, Refiner r, int k=1) -> KClosePairsPairScore"""
4837 _IMP_core.KClosePairsPairScore_swiginit(self, _IMP_core.new_KClosePairsPairScore(f, r, k))
4839 def get_close_pairs(self, pp):
4840 r"""get_close_pairs(KClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
4841 return _IMP_core.KClosePairsPairScore_get_close_pairs(self, pp)
4843 def create_current_decomposition(self, m, vt):
4844 r"""create_current_decomposition(KClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
4845 return _IMP_core.KClosePairsPairScore_create_current_decomposition(self, m, vt)
4847 def do_get_inputs(self, m, pis):
4848 r"""do_get_inputs(KClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4849 return _IMP_core.KClosePairsPairScore_do_get_inputs(self, m, pis)
4851 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4852 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"""
4853 return _IMP_core.KClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4855 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4856 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"""
4857 return _IMP_core.KClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4859 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4860 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"""
4861 return _IMP_core.KClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4863 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4864 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"""
4865 return _IMP_core.KClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4867 def get_version_info(self):
4868 r"""get_version_info(KClosePairsPairScore self) -> VersionInfo"""
4869 return _IMP_core.KClosePairsPairScore_get_version_info(self)
4870 __swig_destroy__ = _IMP_core.delete_KClosePairsPairScore
4873 r"""__str__(KClosePairsPairScore self) -> std::string"""
4874 return _IMP_core.KClosePairsPairScore___str__(self)
4877 r"""__repr__(KClosePairsPairScore self) -> std::string"""
4878 return _IMP_core.KClosePairsPairScore___repr__(self)
4882 return _object_cast_to_KClosePairsPairScore(o)
4886 _IMP_core.KClosePairsPairScore_swigregister(KClosePairsPairScore)
4888 r"""Proxy of C++ IMP::core::ClosePairsPairScore class."""
4890 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4892 def __init__(self, f, r, max_distance):
4893 r"""__init__(ClosePairsPairScore self, PairScore f, Refiner r, IMP::Float max_distance) -> ClosePairsPairScore"""
4894 _IMP_core.ClosePairsPairScore_swiginit(self, _IMP_core.new_ClosePairsPairScore(f, r, max_distance))
4896 def get_close_pairs(self, pp):
4897 r"""get_close_pairs(ClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
4898 return _IMP_core.ClosePairsPairScore_get_close_pairs(self, pp)
4900 def create_current_decomposition(self, m, vt):
4901 r"""create_current_decomposition(ClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
4902 return _IMP_core.ClosePairsPairScore_create_current_decomposition(self, m, vt)
4904 def do_get_inputs(self, m, pis):
4905 r"""do_get_inputs(ClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4906 return _IMP_core.ClosePairsPairScore_do_get_inputs(self, m, pis)
4908 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4909 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"""
4910 return _IMP_core.ClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4912 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4913 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"""
4914 return _IMP_core.ClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4916 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4917 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"""
4918 return _IMP_core.ClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4920 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4921 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"""
4922 return _IMP_core.ClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4924 def get_version_info(self):
4925 r"""get_version_info(ClosePairsPairScore self) -> VersionInfo"""
4926 return _IMP_core.ClosePairsPairScore_get_version_info(self)
4927 __swig_destroy__ = _IMP_core.delete_ClosePairsPairScore
4930 r"""__str__(ClosePairsPairScore self) -> std::string"""
4931 return _IMP_core.ClosePairsPairScore___str__(self)
4934 r"""__repr__(ClosePairsPairScore self) -> std::string"""
4935 return _IMP_core.ClosePairsPairScore___repr__(self)
4939 return _object_cast_to_ClosePairsPairScore(o)
4943 _IMP_core.ClosePairsPairScore_swigregister(ClosePairsPairScore)
4945 r"""Proxy of C++ IMP::core::ConjugateGradients class."""
4947 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4949 def __init__(self, *args):
4951 __init__(ConjugateGradients self, Model m, std::string name="ConjugateGradients%1%") -> ConjugateGradients
4952 __init__(ConjugateGradients self) -> ConjugateGradients
4954 _IMP_core.ConjugateGradients_swiginit(self, _IMP_core.new_ConjugateGradients(*args))
4956 def set_gradient_threshold(self, t):
4957 r"""set_gradient_threshold(ConjugateGradients self, IMP::Float t)"""
4958 return _IMP_core.ConjugateGradients_set_gradient_threshold(self, t)
4960 def set_max_change(self, t):
4961 r"""set_max_change(ConjugateGradients self, IMP::Float t)"""
4962 return _IMP_core.ConjugateGradients_set_max_change(self, t)
4964 def do_optimize(self, max_steps):
4965 r"""do_optimize(ConjugateGradients self, unsigned int max_steps) -> IMP::Float"""
4966 return _IMP_core.ConjugateGradients_do_optimize(self, max_steps)
4968 def get_version_info(self):
4969 r"""get_version_info(ConjugateGradients self) -> VersionInfo"""
4970 return _IMP_core.ConjugateGradients_get_version_info(self)
4971 __swig_destroy__ = _IMP_core.delete_ConjugateGradients
4974 r"""__str__(ConjugateGradients self) -> std::string"""
4975 return _IMP_core.ConjugateGradients___str__(self)
4978 r"""__repr__(ConjugateGradients self) -> std::string"""
4979 return _IMP_core.ConjugateGradients___repr__(self)
4983 return _object_cast_to_ConjugateGradients(o)
4986 def _get_as_binary(self):
4987 r"""_get_as_binary(ConjugateGradients self) -> PyObject *"""
4988 return _IMP_core.ConjugateGradients__get_as_binary(self)
4990 def _set_from_binary(self, p):
4991 r"""_set_from_binary(ConjugateGradients self, PyObject * p)"""
4992 return _IMP_core.ConjugateGradients__set_from_binary(self, p)
4994 def __getstate__(self):
4995 p = self._get_as_binary()
4996 if len(self.__dict__) > 1:
4997 d = self.__dict__.copy()
5002 def __setstate__(self, p):
5003 if not hasattr(self,
'this'):
5005 if isinstance(p, tuple):
5007 self.__dict__.update(d)
5008 return self._set_from_binary(p)
5012 _IMP_core.ConjugateGradients_swigregister(ConjugateGradients)
5014 r"""Proxy of C++ IMP::core::ConnectivityRestraint class."""
5016 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5018 def __init__(self, ps, sc):
5019 r"""__init__(ConnectivityRestraint self, PairScore ps, _SingletonContainerAdaptor sc) -> ConnectivityRestraint"""
5020 _IMP_core.ConnectivityRestraint_swiginit(self, _IMP_core.new_ConnectivityRestraint(ps, sc))
5022 def get_connected_index_pairs(self):
5023 r"""get_connected_index_pairs(ConnectivityRestraint self) -> IMP::ParticleIndexPairs"""
5024 return _IMP_core.ConnectivityRestraint_get_connected_index_pairs(self)
5026 def get_pair_score(self):
5027 r"""get_pair_score(ConnectivityRestraint self) -> PairScore"""
5028 return _IMP_core.ConnectivityRestraint_get_pair_score(self)
5030 def do_create_current_decomposition(self):
5031 r"""do_create_current_decomposition(ConnectivityRestraint self) -> IMP::Restraints"""
5032 return _IMP_core.ConnectivityRestraint_do_create_current_decomposition(self)
5034 def do_get_inputs(self):
5035 r"""do_get_inputs(ConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
5036 return _IMP_core.ConnectivityRestraint_do_get_inputs(self)
5038 def get_version_info(self):
5039 r"""get_version_info(ConnectivityRestraint self) -> VersionInfo"""
5040 return _IMP_core.ConnectivityRestraint_get_version_info(self)
5041 __swig_destroy__ = _IMP_core.delete_ConnectivityRestraint
5044 r"""__str__(ConnectivityRestraint self) -> std::string"""
5045 return _IMP_core.ConnectivityRestraint___str__(self)
5048 r"""__repr__(ConnectivityRestraint self) -> std::string"""
5049 return _IMP_core.ConnectivityRestraint___repr__(self)
5053 return _object_cast_to_ConnectivityRestraint(o)
5057 _IMP_core.ConnectivityRestraint_swigregister(ConnectivityRestraint)
5059 r"""Proxy of C++ IMP::core::ConstantRestraint class."""
5061 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5063 def __init__(self, *args):
5065 __init__(ConstantRestraint self, Model m, IMP::Float v) -> ConstantRestraint
5066 __init__(ConstantRestraint self) -> ConstantRestraint
5068 _IMP_core.ConstantRestraint_swiginit(self, _IMP_core.new_ConstantRestraint(*args))
5070 def do_get_inputs(self):
5071 r"""do_get_inputs(ConstantRestraint self) -> IMP::ModelObjectsTemp"""
5072 return _IMP_core.ConstantRestraint_do_get_inputs(self)
5074 def get_version_info(self):
5075 r"""get_version_info(ConstantRestraint self) -> VersionInfo"""
5076 return _IMP_core.ConstantRestraint_get_version_info(self)
5077 __swig_destroy__ = _IMP_core.delete_ConstantRestraint
5080 r"""__str__(ConstantRestraint self) -> std::string"""
5081 return _IMP_core.ConstantRestraint___str__(self)
5084 r"""__repr__(ConstantRestraint self) -> std::string"""
5085 return _IMP_core.ConstantRestraint___repr__(self)
5089 return _object_cast_to_ConstantRestraint(o)
5092 def _get_as_binary(self):
5093 r"""_get_as_binary(ConstantRestraint self) -> PyObject *"""
5094 return _IMP_core.ConstantRestraint__get_as_binary(self)
5096 def _set_from_binary(self, p):
5097 r"""_set_from_binary(ConstantRestraint self, PyObject * p)"""
5098 return _IMP_core.ConstantRestraint__set_from_binary(self, p)
5100 def __getstate__(self):
5101 p = self._get_as_binary()
5102 if len(self.__dict__) > 1:
5103 d = self.__dict__.copy()
5108 def __setstate__(self, p):
5109 if not hasattr(self,
'this'):
5111 if isinstance(p, tuple):
5113 self.__dict__.update(d)
5114 return self._set_from_binary(p)
5118 _IMP_core.ConstantRestraint_swigregister(ConstantRestraint)
5120 r"""Proxy of C++ IMP::core::Cosine class."""
5122 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5124 def __init__(self, *args):
5126 __init__(Cosine self, IMP::Float force_constant, int periodicity, IMP::Float phase) -> Cosine
5127 __init__(Cosine self) -> Cosine
5129 _IMP_core.Cosine_swiginit(self, _IMP_core.new_Cosine(*args))
5131 def get_force_constant(self):
5132 r"""get_force_constant(Cosine self) -> IMP::Float"""
5133 return _IMP_core.Cosine_get_force_constant(self)
5135 def get_periodicity(self):
5136 r"""get_periodicity(Cosine self) -> int"""
5137 return _IMP_core.Cosine_get_periodicity(self)
5139 def get_phase(self):
5140 r"""get_phase(Cosine self) -> IMP::Float"""
5141 return _IMP_core.Cosine_get_phase(self)
5143 def get_version_info(self):
5144 r"""get_version_info(Cosine self) -> VersionInfo"""
5145 return _IMP_core.Cosine_get_version_info(self)
5146 __swig_destroy__ = _IMP_core.delete_Cosine
5148 def do_show(self, out):
5149 r"""do_show(Cosine self, _ostream out)"""
5150 return _IMP_core.Cosine_do_show(self, out)
5153 r"""__str__(Cosine self) -> std::string"""
5154 return _IMP_core.Cosine___str__(self)
5157 r"""__repr__(Cosine self) -> std::string"""
5158 return _IMP_core.Cosine___repr__(self)
5162 return _object_cast_to_Cosine(o)
5165 def _get_as_binary(self):
5166 r"""_get_as_binary(Cosine self) -> PyObject *"""
5167 return _IMP_core.Cosine__get_as_binary(self)
5169 def _set_from_binary(self, p):
5170 r"""_set_from_binary(Cosine self, PyObject * p)"""
5171 return _IMP_core.Cosine__set_from_binary(self, p)
5173 def __getstate__(self):
5174 p = self._get_as_binary()
5175 if len(self.__dict__) > 1:
5176 d = self.__dict__.copy()
5181 def __setstate__(self, p):
5182 if not hasattr(self,
'this'):
5184 if isinstance(p, tuple):
5186 self.__dict__.update(d)
5187 return self._set_from_binary(p)
5191 import jax.numpy
as jnp
5192 def score(val, k, period, phase):
5193 return jnp.abs(k) - k * jnp.cos(period * val + phase)
5194 return functools.partial(score, k=self.get_force_constant(),
5195 period=self.get_periodicity(),
5196 phase=self.get_phase())
5200 _IMP_core.Cosine_swigregister(Cosine)
5202 r"""Proxy of C++ IMP::core::CoverRefined class."""
5204 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5206 def __init__(self, ref, slack=0):
5207 r"""__init__(CoverRefined self, Refiner ref, IMP::Float slack=0) -> CoverRefined"""
5208 _IMP_core.CoverRefined_swiginit(self, _IMP_core.new_CoverRefined(ref, slack))
5210 def set_slack(self, slack):
5211 r"""set_slack(CoverRefined self, IMP::Float slack)"""
5212 return _IMP_core.CoverRefined_set_slack(self, slack)
5214 def do_get_inputs(self, m, pis):
5215 r"""do_get_inputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5216 return _IMP_core.CoverRefined_do_get_inputs(self, m, pis)
5218 def do_get_outputs(self, m, pis):
5219 r"""do_get_outputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5220 return _IMP_core.CoverRefined_do_get_outputs(self, m, pis)
5222 def get_version_info(self):
5223 r"""get_version_info(CoverRefined self) -> VersionInfo"""
5224 return _IMP_core.CoverRefined_get_version_info(self)
5225 __swig_destroy__ = _IMP_core.delete_CoverRefined
5228 r"""__str__(CoverRefined self) -> std::string"""
5229 return _IMP_core.CoverRefined___str__(self)
5232 r"""__repr__(CoverRefined self) -> std::string"""
5233 return _IMP_core.CoverRefined___repr__(self)
5237 return _object_cast_to_CoverRefined(o)
5241 _IMP_core.CoverRefined_swigregister(CoverRefined)
5243 r"""Proxy of C++ IMP::core::Cover class."""
5245 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5247 def get_constraint(self):
5248 r"""get_constraint(Cover self) -> Constraint"""
5249 return _IMP_core.Cover_get_constraint(self)
5251 def __init__(self, *args):
5253 __init__(Cover self) -> Cover
5254 __init__(Cover self, Model m, ParticleIndex id) -> Cover
5255 __init__(Cover self, _ParticleAdaptor d) -> Cover
5257 _IMP_core.Cover_swiginit(self, _IMP_core.new_Cover(*args))
5259 def show(self, *args):
5260 r"""show(Cover self, _ostream out=std::cout)"""
5261 return _IMP_core.Cover_show(self, *args)
5264 def setup_particle(*args):
5266 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Cover
5267 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Cover
5268 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Cover
5269 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Cover
5271 return _IMP_core.Cover_setup_particle(*args)
5274 def get_is_setup(*args):
5276 get_is_setup(_ParticleAdaptor p) -> bool
5277 get_is_setup(Model m, ParticleIndex pi) -> bool
5279 return _IMP_core.Cover_get_is_setup(*args)
5281 def add_attribute(self, *args):
5283 add_attribute(Cover self, FloatKey k, IMP::Float v, bool opt)
5284 add_attribute(Cover self, FloatKey a0, IMP::Float a1)
5285 add_attribute(Cover self, IntKey a0, IMP::Int a1)
5286 add_attribute(Cover self, FloatsKey a0, IMP::Floats a1)
5287 add_attribute(Cover self, IntsKey a0, IMP::Ints a1)
5288 add_attribute(Cover self, StringKey a0, IMP::String a1)
5289 add_attribute(Cover self, ParticleIndexKey a0, Particle a1)
5290 add_attribute(Cover self, ObjectKey a0, Object a1)
5291 add_attribute(Cover self, SparseFloatKey a0, IMP::Float a1)
5292 add_attribute(Cover self, SparseIntKey a0, IMP::Int a1)
5293 add_attribute(Cover self, SparseStringKey a0, IMP::String a1)
5294 add_attribute(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5296 return _IMP_core.Cover_add_attribute(self, *args)
5298 def get_value(self, *args):
5300 get_value(Cover self, FloatKey a0) -> IMP::Float
5301 get_value(Cover self, IntKey a0) -> IMP::Int
5302 get_value(Cover self, FloatsKey a0) -> IMP::Floats
5303 get_value(Cover self, IntsKey a0) -> IMP::Ints
5304 get_value(Cover self, StringKey a0) -> IMP::String
5305 get_value(Cover self, ParticleIndexKey a0) -> Particle
5306 get_value(Cover self, ObjectKey a0) -> Object
5307 get_value(Cover self, SparseFloatKey a0) -> IMP::Float
5308 get_value(Cover self, SparseIntKey a0) -> IMP::Int
5309 get_value(Cover self, SparseStringKey a0) -> IMP::String
5310 get_value(Cover self, SparseParticleIndexKey a0) -> ParticleIndex
5312 return _IMP_core.Cover_get_value(self, *args)
5314 def set_value(self, *args):
5316 set_value(Cover self, FloatKey a0, IMP::Float a1)
5317 set_value(Cover self, IntKey a0, IMP::Int a1)
5318 set_value(Cover self, FloatsKey a0, IMP::Floats a1)
5319 set_value(Cover self, IntsKey a0, IMP::Ints a1)
5320 set_value(Cover self, StringKey a0, IMP::String a1)
5321 set_value(Cover self, ParticleIndexKey a0, Particle a1)
5322 set_value(Cover self, ObjectKey a0, Object a1)
5323 set_value(Cover self, SparseFloatKey a0, IMP::Float a1)
5324 set_value(Cover self, SparseIntKey a0, IMP::Int a1)
5325 set_value(Cover self, SparseStringKey a0, IMP::String a1)
5326 set_value(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5328 return _IMP_core.Cover_set_value(self, *args)
5330 def remove_attribute(self, *args):
5332 remove_attribute(Cover self, FloatKey a0)
5333 remove_attribute(Cover self, IntKey a0)
5334 remove_attribute(Cover self, FloatsKey a0)
5335 remove_attribute(Cover self, IntsKey a0)
5336 remove_attribute(Cover self, StringKey a0)
5337 remove_attribute(Cover self, ParticleIndexKey a0)
5338 remove_attribute(Cover self, ObjectKey a0)
5339 remove_attribute(Cover self, SparseFloatKey a0)
5340 remove_attribute(Cover self, SparseIntKey a0)
5341 remove_attribute(Cover self, SparseStringKey a0)
5342 remove_attribute(Cover self, SparseParticleIndexKey a0)
5344 return _IMP_core.Cover_remove_attribute(self, *args)
5346 def has_attribute(self, *args):
5348 has_attribute(Cover self, FloatKey a0) -> bool
5349 has_attribute(Cover self, IntKey a0) -> bool
5350 has_attribute(Cover self, FloatsKey a0) -> bool
5351 has_attribute(Cover self, IntsKey a0) -> bool
5352 has_attribute(Cover self, StringKey a0) -> bool
5353 has_attribute(Cover self, ParticleIndexKey a0) -> bool
5354 has_attribute(Cover self, ObjectKey a0) -> bool
5355 has_attribute(Cover self, SparseFloatKey a0) -> bool
5356 has_attribute(Cover self, SparseIntKey a0) -> bool
5357 has_attribute(Cover self, SparseStringKey a0) -> bool
5358 has_attribute(Cover self, SparseParticleIndexKey a0) -> bool
5360 return _IMP_core.Cover_has_attribute(self, *args)
5362 def get_derivative(self, a0):
5363 r"""get_derivative(Cover self, FloatKey a0) -> double"""
5364 return _IMP_core.Cover_get_derivative(self, a0)
5367 r"""get_name(Cover self) -> std::string"""
5368 return _IMP_core.Cover_get_name(self)
5370 def clear_caches(self):
5371 r"""clear_caches(Cover self)"""
5372 return _IMP_core.Cover_clear_caches(self)
5374 def set_name(self, a0):
5375 r"""set_name(Cover self, std::string a0)"""
5376 return _IMP_core.Cover_set_name(self, a0)
5379 r"""set_check_level(Cover self, IMP::CheckLevel a0)"""
5380 return _IMP_core.Cover_set_check_level(self, a0)
5382 def add_to_derivative(self, a0, a1, a2):
5383 r"""add_to_derivative(Cover self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5384 return _IMP_core.Cover_add_to_derivative(self, a0, a1, a2)
5386 def set_is_optimized(self, a0, a1):
5387 r"""set_is_optimized(Cover self, FloatKey a0, bool a1)"""
5388 return _IMP_core.Cover_set_is_optimized(self, a0, a1)
5390 def get_is_optimized(self, a0):
5391 r"""get_is_optimized(Cover self, FloatKey a0) -> bool"""
5392 return _IMP_core.Cover_get_is_optimized(self, a0)
5395 r"""get_check_level(Cover self) -> IMP::CheckLevel"""
5396 return _IMP_core.Cover_get_check_level(self)
5398 def __eq__(self, *args):
5400 __eq__(Cover self, Cover o) -> bool
5401 __eq__(Cover self, Particle d) -> bool
5403 return _IMP_core.Cover___eq__(self, *args)
5405 def __ne__(self, *args):
5407 __ne__(Cover self, Cover o) -> bool
5408 __ne__(Cover self, Particle d) -> bool
5410 return _IMP_core.Cover___ne__(self, *args)
5412 def __le__(self, *args):
5414 __le__(Cover self, Cover o) -> bool
5415 __le__(Cover self, Particle d) -> bool
5417 return _IMP_core.Cover___le__(self, *args)
5419 def __lt__(self, *args):
5421 __lt__(Cover self, Cover o) -> bool
5422 __lt__(Cover self, Particle d) -> bool
5424 return _IMP_core.Cover___lt__(self, *args)
5426 def __ge__(self, *args):
5428 __ge__(Cover self, Cover o) -> bool
5429 __ge__(Cover self, Particle d) -> bool
5431 return _IMP_core.Cover___ge__(self, *args)
5433 def __gt__(self, *args):
5435 __gt__(Cover self, Cover o) -> bool
5436 __gt__(Cover self, Particle d) -> bool
5438 return _IMP_core.Cover___gt__(self, *args)
5441 r"""__hash__(Cover self) -> std::size_t"""
5442 return _IMP_core.Cover___hash__(self)
5445 r"""__str__(Cover self) -> std::string"""
5446 return _IMP_core.Cover___str__(self)
5449 r"""__repr__(Cover self) -> std::string"""
5450 return _IMP_core.Cover___repr__(self)
5452 def _get_as_binary(self):
5453 r"""_get_as_binary(Cover self) -> PyObject *"""
5454 return _IMP_core.Cover__get_as_binary(self)
5456 def _set_from_binary(self, p):
5457 r"""_set_from_binary(Cover self, PyObject * p)"""
5458 return _IMP_core.Cover__set_from_binary(self, p)
5460 def __getstate__(self):
5461 p = self._get_as_binary()
5462 if len(self.__dict__) > 1:
5463 d = self.__dict__.copy()
5468 def __setstate__(self, p):
5469 if not hasattr(self,
'this'):
5471 if isinstance(p, tuple):
5473 self.__dict__.update(d)
5474 return self._set_from_binary(p)
5476 __swig_destroy__ = _IMP_core.delete_Cover
5479 _IMP_core.Cover_swigregister(Cover)
5481 r"""Proxy of C++ IMP::core::DerivativesFromRefined class."""
5483 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5485 def __init__(self, *args):
5486 r"""__init__(DerivativesFromRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesFromRefined"""
5487 _IMP_core.DerivativesFromRefined_swiginit(self, _IMP_core.new_DerivativesFromRefined(*args))
5489 def do_get_inputs(self, m, pis):
5490 r"""do_get_inputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5491 return _IMP_core.DerivativesFromRefined_do_get_inputs(self, m, pis)
5493 def do_get_outputs(self, m, pis):
5494 r"""do_get_outputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5495 return _IMP_core.DerivativesFromRefined_do_get_outputs(self, m, pis)
5497 def get_version_info(self):
5498 r"""get_version_info(DerivativesFromRefined self) -> VersionInfo"""
5499 return _IMP_core.DerivativesFromRefined_get_version_info(self)
5500 __swig_destroy__ = _IMP_core.delete_DerivativesFromRefined
5503 r"""__str__(DerivativesFromRefined self) -> std::string"""
5504 return _IMP_core.DerivativesFromRefined___str__(self)
5507 r"""__repr__(DerivativesFromRefined self) -> std::string"""
5508 return _IMP_core.DerivativesFromRefined___repr__(self)
5512 return _object_cast_to_DerivativesFromRefined(o)
5516 _IMP_core.DerivativesFromRefined_swigregister(DerivativesFromRefined)
5518 r"""Proxy of C++ IMP::core::DerivativesToRefined class."""
5520 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5522 def __init__(self, *args):
5524 __init__(DerivativesToRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesToRefined
5525 __init__(DerivativesToRefined self) -> DerivativesToRefined
5527 _IMP_core.DerivativesToRefined_swiginit(self, _IMP_core.new_DerivativesToRefined(*args))
5529 def do_get_inputs(self, m, pis):
5530 r"""do_get_inputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5531 return _IMP_core.DerivativesToRefined_do_get_inputs(self, m, pis)
5533 def do_get_outputs(self, m, pis):
5534 r"""do_get_outputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5535 return _IMP_core.DerivativesToRefined_do_get_outputs(self, m, pis)
5537 def get_version_info(self):
5538 r"""get_version_info(DerivativesToRefined self) -> VersionInfo"""
5539 return _IMP_core.DerivativesToRefined_get_version_info(self)
5540 __swig_destroy__ = _IMP_core.delete_DerivativesToRefined
5543 r"""__str__(DerivativesToRefined self) -> std::string"""
5544 return _IMP_core.DerivativesToRefined___str__(self)
5547 r"""__repr__(DerivativesToRefined self) -> std::string"""
5548 return _IMP_core.DerivativesToRefined___repr__(self)
5552 return _object_cast_to_DerivativesToRefined(o)
5555 def _get_as_binary(self):
5556 r"""_get_as_binary(DerivativesToRefined self) -> PyObject *"""
5557 return _IMP_core.DerivativesToRefined__get_as_binary(self)
5559 def _set_from_binary(self, p):
5560 r"""_set_from_binary(DerivativesToRefined self, PyObject * p)"""
5561 return _IMP_core.DerivativesToRefined__set_from_binary(self, p)
5563 def __getstate__(self):
5564 p = self._get_as_binary()
5565 if len(self.__dict__) > 1:
5566 d = self.__dict__.copy()
5571 def __setstate__(self, p):
5572 if not hasattr(self,
'this'):
5574 if isinstance(p, tuple):
5576 self.__dict__.update(d)
5577 return self._set_from_binary(p)
5581 _IMP_core.DerivativesToRefined_swigregister(DerivativesToRefined)
5583 r"""Proxy of C++ IMP::core::DiameterRestraint class."""
5585 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5587 def __init__(self, f, sc, diameter):
5588 r"""__init__(DiameterRestraint self, UnaryFunction f, SingletonContainer sc, IMP::Float diameter) -> DiameterRestraint"""
5589 _IMP_core.DiameterRestraint_swiginit(self, _IMP_core.new_DiameterRestraint(f, sc, diameter))
5591 def do_get_inputs(self):
5592 r"""do_get_inputs(DiameterRestraint self) -> IMP::ModelObjectsTemp"""
5593 return _IMP_core.DiameterRestraint_do_get_inputs(self)
5595 def get_version_info(self):
5596 r"""get_version_info(DiameterRestraint self) -> VersionInfo"""
5597 return _IMP_core.DiameterRestraint_get_version_info(self)
5598 __swig_destroy__ = _IMP_core.delete_DiameterRestraint
5600 def do_create_decomposition(self):
5601 r"""do_create_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5602 return _IMP_core.DiameterRestraint_do_create_decomposition(self)
5604 def do_create_current_decomposition(self):
5605 r"""do_create_current_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5606 return _IMP_core.DiameterRestraint_do_create_current_decomposition(self)
5609 r"""__str__(DiameterRestraint self) -> std::string"""
5610 return _IMP_core.DiameterRestraint___str__(self)
5613 r"""__repr__(DiameterRestraint self) -> std::string"""
5614 return _IMP_core.DiameterRestraint___repr__(self)
5618 return _object_cast_to_DiameterRestraint(o)
5622 _IMP_core.DiameterRestraint_swigregister(DiameterRestraint)
5624 r"""Proxy of C++ IMP::core::Transform class."""
5626 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5628 def __init__(self, *args):
5630 __init__(Transform self, Transformation3D t, bool ignore_non_xyz=False) -> Transform
5631 __init__(Transform self) -> Transform
5633 _IMP_core.Transform_swiginit(self, _IMP_core.new_Transform(*args))
5635 def do_get_inputs(self, m, pis):
5636 r"""do_get_inputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5637 return _IMP_core.Transform_do_get_inputs(self, m, pis)
5639 def do_get_outputs(self, m, pis):
5640 r"""do_get_outputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5641 return _IMP_core.Transform_do_get_outputs(self, m, pis)
5643 def get_version_info(self):
5644 r"""get_version_info(Transform self) -> VersionInfo"""
5645 return _IMP_core.Transform_get_version_info(self)
5646 __swig_destroy__ = _IMP_core.delete_Transform
5649 r"""__str__(Transform self) -> std::string"""
5650 return _IMP_core.Transform___str__(self)
5653 r"""__repr__(Transform self) -> std::string"""
5654 return _IMP_core.Transform___repr__(self)
5658 return _object_cast_to_Transform(o)
5661 def _get_as_binary(self):
5662 r"""_get_as_binary(Transform self) -> PyObject *"""
5663 return _IMP_core.Transform__get_as_binary(self)
5665 def _set_from_binary(self, p):
5666 r"""_set_from_binary(Transform self, PyObject * p)"""
5667 return _IMP_core.Transform__set_from_binary(self, p)
5669 def __getstate__(self):
5670 p = self._get_as_binary()
5671 if len(self.__dict__) > 1:
5672 d = self.__dict__.copy()
5677 def __setstate__(self, p):
5678 if not hasattr(self,
'this'):
5680 if isinstance(p, tuple):
5682 self.__dict__.update(d)
5683 return self._set_from_binary(p)
5687 _IMP_core.Transform_swigregister(Transform)
5689 r"""Proxy of C++ IMP::core::Reference class."""
5691 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5693 def __init__(self, *args):
5695 __init__(Reference self) -> Reference
5696 __init__(Reference self, Model m, ParticleIndex id) -> Reference
5697 __init__(Reference self, _ParticleAdaptor d) -> Reference
5699 _IMP_core.Reference_swiginit(self, _IMP_core.new_Reference(*args))
5701 def show(self, *args):
5702 r"""show(Reference self, _ostream out=std::cout)"""
5703 return _IMP_core.Reference_show(self, *args)
5706 def setup_particle(*args):
5708 setup_particle(Model m, ParticleIndex pi, _ParticleIndexAdaptor reference) -> Reference
5709 setup_particle(_ParticleAdaptor pa, _ParticleIndexAdaptor reference) -> Reference
5711 return _IMP_core.Reference_setup_particle(*args)
5713 def get_reference_particle(self):
5714 r"""get_reference_particle(Reference self) -> Particle"""
5715 return _IMP_core.Reference_get_reference_particle(self)
5718 def get_is_setup(*args):
5720 get_is_setup(_ParticleAdaptor p) -> bool
5721 get_is_setup(Model m, ParticleIndex pi) -> bool
5723 return _IMP_core.Reference_get_is_setup(*args)
5726 def get_reference_key():
5727 r"""get_reference_key() -> ParticleIndexKey"""
5728 return _IMP_core.Reference_get_reference_key()
5730 def add_attribute(self, *args):
5732 add_attribute(Reference self, FloatKey k, IMP::Float v, bool opt)
5733 add_attribute(Reference self, FloatKey a0, IMP::Float a1)
5734 add_attribute(Reference self, IntKey a0, IMP::Int a1)
5735 add_attribute(Reference self, FloatsKey a0, IMP::Floats a1)
5736 add_attribute(Reference self, IntsKey a0, IMP::Ints a1)
5737 add_attribute(Reference self, StringKey a0, IMP::String a1)
5738 add_attribute(Reference self, ParticleIndexKey a0, Particle a1)
5739 add_attribute(Reference self, ObjectKey a0, Object a1)
5740 add_attribute(Reference self, SparseFloatKey a0, IMP::Float a1)
5741 add_attribute(Reference self, SparseIntKey a0, IMP::Int a1)
5742 add_attribute(Reference self, SparseStringKey a0, IMP::String a1)
5743 add_attribute(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5745 return _IMP_core.Reference_add_attribute(self, *args)
5747 def get_value(self, *args):
5749 get_value(Reference self, FloatKey a0) -> IMP::Float
5750 get_value(Reference self, IntKey a0) -> IMP::Int
5751 get_value(Reference self, FloatsKey a0) -> IMP::Floats
5752 get_value(Reference self, IntsKey a0) -> IMP::Ints
5753 get_value(Reference self, StringKey a0) -> IMP::String
5754 get_value(Reference self, ParticleIndexKey a0) -> Particle
5755 get_value(Reference self, ObjectKey a0) -> Object
5756 get_value(Reference self, SparseFloatKey a0) -> IMP::Float
5757 get_value(Reference self, SparseIntKey a0) -> IMP::Int
5758 get_value(Reference self, SparseStringKey a0) -> IMP::String
5759 get_value(Reference self, SparseParticleIndexKey a0) -> ParticleIndex
5761 return _IMP_core.Reference_get_value(self, *args)
5763 def set_value(self, *args):
5765 set_value(Reference self, FloatKey a0, IMP::Float a1)
5766 set_value(Reference self, IntKey a0, IMP::Int a1)
5767 set_value(Reference self, FloatsKey a0, IMP::Floats a1)
5768 set_value(Reference self, IntsKey a0, IMP::Ints a1)
5769 set_value(Reference self, StringKey a0, IMP::String a1)
5770 set_value(Reference self, ParticleIndexKey a0, Particle a1)
5771 set_value(Reference self, ObjectKey a0, Object a1)
5772 set_value(Reference self, SparseFloatKey a0, IMP::Float a1)
5773 set_value(Reference self, SparseIntKey a0, IMP::Int a1)
5774 set_value(Reference self, SparseStringKey a0, IMP::String a1)
5775 set_value(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5777 return _IMP_core.Reference_set_value(self, *args)
5779 def remove_attribute(self, *args):
5781 remove_attribute(Reference self, FloatKey a0)
5782 remove_attribute(Reference self, IntKey a0)
5783 remove_attribute(Reference self, FloatsKey a0)
5784 remove_attribute(Reference self, IntsKey a0)
5785 remove_attribute(Reference self, StringKey a0)
5786 remove_attribute(Reference self, ParticleIndexKey a0)
5787 remove_attribute(Reference self, ObjectKey a0)
5788 remove_attribute(Reference self, SparseFloatKey a0)
5789 remove_attribute(Reference self, SparseIntKey a0)
5790 remove_attribute(Reference self, SparseStringKey a0)
5791 remove_attribute(Reference self, SparseParticleIndexKey a0)
5793 return _IMP_core.Reference_remove_attribute(self, *args)
5795 def has_attribute(self, *args):
5797 has_attribute(Reference self, FloatKey a0) -> bool
5798 has_attribute(Reference self, IntKey a0) -> bool
5799 has_attribute(Reference self, FloatsKey a0) -> bool
5800 has_attribute(Reference self, IntsKey a0) -> bool
5801 has_attribute(Reference self, StringKey a0) -> bool
5802 has_attribute(Reference self, ParticleIndexKey a0) -> bool
5803 has_attribute(Reference self, ObjectKey a0) -> bool
5804 has_attribute(Reference self, SparseFloatKey a0) -> bool
5805 has_attribute(Reference self, SparseIntKey a0) -> bool
5806 has_attribute(Reference self, SparseStringKey a0) -> bool
5807 has_attribute(Reference self, SparseParticleIndexKey a0) -> bool
5809 return _IMP_core.Reference_has_attribute(self, *args)
5811 def get_derivative(self, a0):
5812 r"""get_derivative(Reference self, FloatKey a0) -> double"""
5813 return _IMP_core.Reference_get_derivative(self, a0)
5816 r"""get_name(Reference self) -> std::string"""
5817 return _IMP_core.Reference_get_name(self)
5819 def clear_caches(self):
5820 r"""clear_caches(Reference self)"""
5821 return _IMP_core.Reference_clear_caches(self)
5823 def set_name(self, a0):
5824 r"""set_name(Reference self, std::string a0)"""
5825 return _IMP_core.Reference_set_name(self, a0)
5828 r"""set_check_level(Reference self, IMP::CheckLevel a0)"""
5829 return _IMP_core.Reference_set_check_level(self, a0)
5831 def add_to_derivative(self, a0, a1, a2):
5832 r"""add_to_derivative(Reference self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5833 return _IMP_core.Reference_add_to_derivative(self, a0, a1, a2)
5835 def set_is_optimized(self, a0, a1):
5836 r"""set_is_optimized(Reference self, FloatKey a0, bool a1)"""
5837 return _IMP_core.Reference_set_is_optimized(self, a0, a1)
5839 def get_is_optimized(self, a0):
5840 r"""get_is_optimized(Reference self, FloatKey a0) -> bool"""
5841 return _IMP_core.Reference_get_is_optimized(self, a0)
5844 r"""get_check_level(Reference self) -> IMP::CheckLevel"""
5845 return _IMP_core.Reference_get_check_level(self)
5847 def __eq__(self, *args):
5849 __eq__(Reference self, Reference o) -> bool
5850 __eq__(Reference self, Particle d) -> bool
5852 return _IMP_core.Reference___eq__(self, *args)
5854 def __ne__(self, *args):
5856 __ne__(Reference self, Reference o) -> bool
5857 __ne__(Reference self, Particle d) -> bool
5859 return _IMP_core.Reference___ne__(self, *args)
5861 def __le__(self, *args):
5863 __le__(Reference self, Reference o) -> bool
5864 __le__(Reference self, Particle d) -> bool
5866 return _IMP_core.Reference___le__(self, *args)
5868 def __lt__(self, *args):
5870 __lt__(Reference self, Reference o) -> bool
5871 __lt__(Reference self, Particle d) -> bool
5873 return _IMP_core.Reference___lt__(self, *args)
5875 def __ge__(self, *args):
5877 __ge__(Reference self, Reference o) -> bool
5878 __ge__(Reference self, Particle d) -> bool
5880 return _IMP_core.Reference___ge__(self, *args)
5882 def __gt__(self, *args):
5884 __gt__(Reference self, Reference o) -> bool
5885 __gt__(Reference self, Particle d) -> bool
5887 return _IMP_core.Reference___gt__(self, *args)
5890 r"""__hash__(Reference self) -> std::size_t"""
5891 return _IMP_core.Reference___hash__(self)
5894 r"""__str__(Reference self) -> std::string"""
5895 return _IMP_core.Reference___str__(self)
5898 r"""__repr__(Reference self) -> std::string"""
5899 return _IMP_core.Reference___repr__(self)
5901 def _get_as_binary(self):
5902 r"""_get_as_binary(Reference self) -> PyObject *"""
5903 return _IMP_core.Reference__get_as_binary(self)
5905 def _set_from_binary(self, p):
5906 r"""_set_from_binary(Reference self, PyObject * p)"""
5907 return _IMP_core.Reference__set_from_binary(self, p)
5909 def __getstate__(self):
5910 p = self._get_as_binary()
5911 if len(self.__dict__) > 1:
5912 d = self.__dict__.copy()
5917 def __setstate__(self, p):
5918 if not hasattr(self,
'this'):
5920 if isinstance(p, tuple):
5922 self.__dict__.update(d)
5923 return self._set_from_binary(p)
5925 __swig_destroy__ = _IMP_core.delete_Reference
5928 _IMP_core.Reference_swigregister(Reference)
5930 r"""Proxy of C++ IMP::core::TransformationAndReflectionSymmetry class."""
5932 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5934 def __init__(self, t, r):
5935 r"""__init__(TransformationAndReflectionSymmetry self, Transformation3D t, Reflection3D r) -> TransformationAndReflectionSymmetry"""
5936 _IMP_core.TransformationAndReflectionSymmetry_swiginit(self, _IMP_core.new_TransformationAndReflectionSymmetry(t, r))
5938 def do_get_inputs(self, m, pis):
5939 r"""do_get_inputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5940 return _IMP_core.TransformationAndReflectionSymmetry_do_get_inputs(self, m, pis)
5942 def do_get_outputs(self, m, pis):
5943 r"""do_get_outputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5944 return _IMP_core.TransformationAndReflectionSymmetry_do_get_outputs(self, m, pis)
5946 def get_version_info(self):
5947 r"""get_version_info(TransformationAndReflectionSymmetry self) -> VersionInfo"""
5948 return _IMP_core.TransformationAndReflectionSymmetry_get_version_info(self)
5949 __swig_destroy__ = _IMP_core.delete_TransformationAndReflectionSymmetry
5952 r"""__str__(TransformationAndReflectionSymmetry self) -> std::string"""
5953 return _IMP_core.TransformationAndReflectionSymmetry___str__(self)
5956 r"""__repr__(TransformationAndReflectionSymmetry self) -> std::string"""
5957 return _IMP_core.TransformationAndReflectionSymmetry___repr__(self)
5961 return _object_cast_to_TransformationAndReflectionSymmetry(o)
5965 _IMP_core.TransformationAndReflectionSymmetry_swigregister(TransformationAndReflectionSymmetry)
5967 r"""Proxy of C++ IMP::core::TransformationSymmetry class."""
5969 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5971 def __init__(self, *args):
5973 __init__(TransformationSymmetry self, Transformation3D t) -> TransformationSymmetry
5974 __init__(TransformationSymmetry self, ParticleIndex rb_pi) -> TransformationSymmetry
5976 _IMP_core.TransformationSymmetry_swiginit(self, _IMP_core.new_TransformationSymmetry(*args))
5978 def get_transformation(self):
5979 r"""get_transformation(TransformationSymmetry self) -> Transformation3D"""
5980 return _IMP_core.TransformationSymmetry_get_transformation(self)
5982 def set_transformation(self, t):
5983 r"""set_transformation(TransformationSymmetry self, Transformation3D t)"""
5984 return _IMP_core.TransformationSymmetry_set_transformation(self, t)
5986 def do_get_inputs(self, m, pis):
5987 r"""do_get_inputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5988 return _IMP_core.TransformationSymmetry_do_get_inputs(self, m, pis)
5990 def do_get_outputs(self, m, pis):
5991 r"""do_get_outputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5992 return _IMP_core.TransformationSymmetry_do_get_outputs(self, m, pis)
5994 def get_version_info(self):
5995 r"""get_version_info(TransformationSymmetry self) -> VersionInfo"""
5996 return _IMP_core.TransformationSymmetry_get_version_info(self)
5997 __swig_destroy__ = _IMP_core.delete_TransformationSymmetry
6000 r"""__str__(TransformationSymmetry self) -> std::string"""
6001 return _IMP_core.TransformationSymmetry___str__(self)
6004 r"""__repr__(TransformationSymmetry self) -> std::string"""
6005 return _IMP_core.TransformationSymmetry___repr__(self)
6009 return _object_cast_to_TransformationSymmetry(o)
6013 _IMP_core.TransformationSymmetry_swigregister(TransformationSymmetry)
6014 class TransformationSymmetryMover(MonteCarloMover):
6015 r"""Proxy of C++ IMP::core::TransformationSymmetryMover class."""
6017 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6019 def __init__(self, m, symm, pivot, max_translation, max_rotation):
6020 r"""__init__(TransformationSymmetryMover self, Model m, TransformationSymmetry symm, ParticleIndex pivot, IMP::Float max_translation, IMP::Float max_rotation) -> TransformationSymmetryMover"""
6021 _IMP_core.TransformationSymmetryMover_swiginit(self, _IMP_core.new_TransformationSymmetryMover(m, symm, pivot, max_translation, max_rotation))
6023 def set_maximum_translation(self, mt):
6024 r"""set_maximum_translation(TransformationSymmetryMover self, IMP::Float mt)"""
6025 return _IMP_core.TransformationSymmetryMover_set_maximum_translation(self, mt)
6027 def set_maximum_rotation(self, mr):
6028 r"""set_maximum_rotation(TransformationSymmetryMover self, IMP::Float mr)"""
6029 return _IMP_core.TransformationSymmetryMover_set_maximum_rotation(self, mr)
6031 def get_maximum_translation(self):
6032 r"""get_maximum_translation(TransformationSymmetryMover self) -> IMP::Float"""
6033 return _IMP_core.TransformationSymmetryMover_get_maximum_translation(self)
6035 def get_maximum_rotation(self):
6036 r"""get_maximum_rotation(TransformationSymmetryMover self) -> IMP::Float"""
6037 return _IMP_core.TransformationSymmetryMover_get_maximum_rotation(self)
6039 def get_version_info(self):
6040 r"""get_version_info(TransformationSymmetryMover self) -> VersionInfo"""
6041 return _IMP_core.TransformationSymmetryMover_get_version_info(self)
6042 __swig_destroy__ = _IMP_core.delete_TransformationSymmetryMover
6045 r"""__str__(TransformationSymmetryMover self) -> std::string"""
6046 return _IMP_core.TransformationSymmetryMover___str__(self)
6049 r"""__repr__(TransformationSymmetryMover self) -> std::string"""
6050 return _IMP_core.TransformationSymmetryMover___repr__(self)
6054 return _object_cast_to_TransformationSymmetryMover(o)
6058 _IMP_core.TransformationSymmetryMover_swigregister(TransformationSymmetryMover)
6060 r"""Proxy of C++ IMP::core::DihedralRestraint class."""
6062 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6064 def __init__(self, m, score_func, p1, p2, p3, p4):
6065 r"""__init__(DihedralRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3, _ParticleIndexAdaptor p4) -> DihedralRestraint"""
6066 _IMP_core.DihedralRestraint_swiginit(self, _IMP_core.new_DihedralRestraint(m, score_func, p1, p2, p3, p4))
6068 def do_get_inputs(self):
6069 r"""do_get_inputs(DihedralRestraint self) -> IMP::ModelObjectsTemp"""
6070 return _IMP_core.DihedralRestraint_do_get_inputs(self)
6072 def get_version_info(self):
6073 r"""get_version_info(DihedralRestraint self) -> VersionInfo"""
6074 return _IMP_core.DihedralRestraint_get_version_info(self)
6075 __swig_destroy__ = _IMP_core.delete_DihedralRestraint
6078 r"""__str__(DihedralRestraint self) -> std::string"""
6079 return _IMP_core.DihedralRestraint___str__(self)
6082 r"""__repr__(DihedralRestraint self) -> std::string"""
6083 return _IMP_core.DihedralRestraint___repr__(self)
6087 return _object_cast_to_DihedralRestraint(o)
6091 _IMP_core.DihedralRestraint_swigregister(DihedralRestraint)
6093 r"""Proxy of C++ IMP::core::DistancePairScore class."""
6095 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6097 def __init__(self, *args):
6099 __init__(DistancePairScore self, UnaryFunction uf, std::string name="DistancePairScore%1%") -> DistancePairScore
6100 __init__(DistancePairScore self) -> DistancePairScore
6102 _IMP_core.DistancePairScore_swiginit(self, _IMP_core.new_DistancePairScore(*args))
6104 def do_get_inputs(self, m, pis):
6105 r"""do_get_inputs(DistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6106 return _IMP_core.DistancePairScore_do_get_inputs(self, m, pis)
6108 def get_score_functor(self, *args):
6110 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
6111 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
6113 return _IMP_core.DistancePairScore_get_score_functor(self, *args)
6115 def get_version_info(self):
6116 r"""get_version_info(DistancePairScore self) -> VersionInfo"""
6117 return _IMP_core.DistancePairScore_get_version_info(self)
6118 __swig_destroy__ = _IMP_core.delete_DistancePairScore
6121 r"""__str__(DistancePairScore self) -> std::string"""
6122 return _IMP_core.DistancePairScore___str__(self)
6125 r"""__repr__(DistancePairScore self) -> std::string"""
6126 return _IMP_core.DistancePairScore___repr__(self)
6130 return _object_cast_to_DistancePairScore(o)
6133 def _get_as_binary(self):
6134 r"""_get_as_binary(DistancePairScore self) -> PyObject *"""
6135 return _IMP_core.DistancePairScore__get_as_binary(self)
6137 def _set_from_binary(self, p):
6138 r"""_set_from_binary(DistancePairScore self, PyObject * p)"""
6139 return _IMP_core.DistancePairScore__set_from_binary(self, p)
6141 def __getstate__(self):
6142 p = self._get_as_binary()
6143 if len(self.__dict__) > 1:
6144 d = self.__dict__.copy()
6149 def __setstate__(self, p):
6150 if not hasattr(self,
'this'):
6152 if isinstance(p, tuple):
6154 self.__dict__.update(d)
6155 return self._set_from_binary(p)
6158 def _get_jax(self, m, indexes):
6159 import jax.numpy
as jnp
6160 def jax_score(jm, uf):
6161 xyzs = jm[
'xyz'][indexes]
6162 diff = xyzs[:,0] - xyzs[:,1]
6163 drs = jnp.linalg.norm(diff, axis=1)
6165 sfnc = self.get_score_functor()
6166 uf = sfnc.get_unary_function().get_derived_object()
6167 f = functools.partial(jax_score, uf=uf._get_jax())
6168 return self._wrap_jax(m, f)
6172 _IMP_core.DistancePairScore_swigregister(DistancePairScore)
6174 r"""Proxy of C++ IMP::core::HarmonicDistancePairScore class."""
6176 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6178 def __init__(self, *args):
6180 __init__(HarmonicDistancePairScore self, double x0, double k, std::string name="HarmonicDistancePairScore%1%") -> HarmonicDistancePairScore
6181 __init__(HarmonicDistancePairScore self) -> HarmonicDistancePairScore
6183 _IMP_core.HarmonicDistancePairScore_swiginit(self, _IMP_core.new_HarmonicDistancePairScore(*args))
6185 def do_get_inputs(self, m, pis):
6186 r"""do_get_inputs(HarmonicDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6187 return _IMP_core.HarmonicDistancePairScore_do_get_inputs(self, m, pis)
6189 def get_score_functor(self, *args):
6191 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore
6192 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore const &
6194 return _IMP_core.HarmonicDistancePairScore_get_score_functor(self, *args)
6197 r"""get_x0(HarmonicDistancePairScore self) -> double"""
6198 return _IMP_core.HarmonicDistancePairScore_get_x0(self)
6201 r"""get_k(HarmonicDistancePairScore self) -> double"""
6202 return _IMP_core.HarmonicDistancePairScore_get_k(self)
6204 def get_version_info(self):
6205 r"""get_version_info(HarmonicDistancePairScore self) -> VersionInfo"""
6206 return _IMP_core.HarmonicDistancePairScore_get_version_info(self)
6207 __swig_destroy__ = _IMP_core.delete_HarmonicDistancePairScore
6210 r"""__str__(HarmonicDistancePairScore self) -> std::string"""
6211 return _IMP_core.HarmonicDistancePairScore___str__(self)
6214 r"""__repr__(HarmonicDistancePairScore self) -> std::string"""
6215 return _IMP_core.HarmonicDistancePairScore___repr__(self)
6219 return _object_cast_to_HarmonicDistancePairScore(o)
6222 def _get_as_binary(self):
6223 r"""_get_as_binary(HarmonicDistancePairScore self) -> PyObject *"""
6224 return _IMP_core.HarmonicDistancePairScore__get_as_binary(self)
6226 def _set_from_binary(self, p):
6227 r"""_set_from_binary(HarmonicDistancePairScore self, PyObject * p)"""
6228 return _IMP_core.HarmonicDistancePairScore__set_from_binary(self, p)
6230 def __getstate__(self):
6231 p = self._get_as_binary()
6232 if len(self.__dict__) > 1:
6233 d = self.__dict__.copy()
6238 def __setstate__(self, p):
6239 if not hasattr(self,
'this'):
6241 if isinstance(p, tuple):
6243 self.__dict__.update(d)
6244 return self._set_from_binary(p)
6247 def _get_jax(self, m, indexes):
6248 import jax.numpy
as jnp
6249 def jax_harmonic_distance_pair_score(jm, d, k):
6250 xyzs = jm[
'xyz'][indexes]
6251 diff = xyzs[:,0] - xyzs[:,1]
6252 drs = jnp.linalg.norm(diff, axis=1)
6253 return 0.5 * k * (d - drs)**2
6254 f = functools.partial(jax_harmonic_distance_pair_score,
6255 d=self.get_x0(), k=self.get_k())
6256 return self._wrap_jax(m, f)
6260 _IMP_core.HarmonicDistancePairScore_swigregister(HarmonicDistancePairScore)
6262 r"""Proxy of C++ IMP::core::DistanceRestraint class."""
6264 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6266 def __init__(self, *args):
6268 __init__(DistanceRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor a, _ParticleIndexAdaptor b, std::string name="DistanceRestraint %1%") -> DistanceRestraint
6269 __init__(DistanceRestraint self) -> DistanceRestraint
6271 _IMP_core.DistanceRestraint_swiginit(self, _IMP_core.new_DistanceRestraint(*args))
6273 def get_score_object(self):
6274 r"""get_score_object(DistanceRestraint self) -> DistancePairScore"""
6275 return _IMP_core.DistanceRestraint_get_score_object(self)
6278 r"""get_index(DistanceRestraint self) -> IMP::core::DistancePairScore::IndexArgument"""
6279 return _IMP_core.DistanceRestraint_get_index(self)
6281 def get_version_info(self):
6282 r"""get_version_info(DistanceRestraint self) -> VersionInfo"""
6283 return _IMP_core.DistanceRestraint_get_version_info(self)
6284 __swig_destroy__ = _IMP_core.delete_DistanceRestraint
6287 r"""__str__(DistanceRestraint self) -> std::string"""
6288 return _IMP_core.DistanceRestraint___str__(self)
6291 r"""__repr__(DistanceRestraint self) -> std::string"""
6292 return _IMP_core.DistanceRestraint___repr__(self)
6296 return _object_cast_to_DistanceRestraint(o)
6299 def _get_as_binary(self):
6300 r"""_get_as_binary(DistanceRestraint self) -> PyObject *"""
6301 return _IMP_core.DistanceRestraint__get_as_binary(self)
6303 def _set_from_binary(self, p):
6304 r"""_set_from_binary(DistanceRestraint self, PyObject * p)"""
6305 return _IMP_core.DistanceRestraint__set_from_binary(self, p)
6307 def __getstate__(self):
6308 p = self._get_as_binary()
6309 if len(self.__dict__) > 1:
6310 d = self.__dict__.copy()
6315 def __setstate__(self, p):
6316 if not hasattr(self,
'this'):
6318 if isinstance(p, tuple):
6320 self.__dict__.update(d)
6321 return self._set_from_binary(p)
6325 import jax.numpy
as jnp
6326 ps = self.get_score_object()
6327 indexes = jnp.array([self.get_index()])
6328 ji = ps._get_jax(self.get_model(), indexes)
6330 return jnp.sum(ji.score_func(jm))
6331 return self._wrap_jax(score)
6335 _IMP_core.DistanceRestraint_swigregister(DistanceRestraint)
6337 r"""Proxy of C++ IMP::core::SphereDistanceToSingletonScore class."""
6339 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6341 def __init__(self, f, pt):
6342 r"""__init__(SphereDistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> SphereDistanceToSingletonScore"""
6343 _IMP_core.SphereDistanceToSingletonScore_swiginit(self, _IMP_core.new_SphereDistanceToSingletonScore(f, pt))
6345 def do_get_inputs(self, m, pis):
6346 r"""do_get_inputs(SphereDistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6347 return _IMP_core.SphereDistanceToSingletonScore_do_get_inputs(self, m, pis)
6349 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
6350 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"""
6351 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
6353 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
6354 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"""
6355 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
6357 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
6358 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"""
6359 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
6361 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
6362 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"""
6363 return _IMP_core.SphereDistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
6365 def get_version_info(self):
6366 r"""get_version_info(SphereDistanceToSingletonScore self) -> VersionInfo"""
6367 return _IMP_core.SphereDistanceToSingletonScore_get_version_info(self)
6368 __swig_destroy__ = _IMP_core.delete_SphereDistanceToSingletonScore
6371 r"""__str__(SphereDistanceToSingletonScore self) -> std::string"""
6372 return _IMP_core.SphereDistanceToSingletonScore___str__(self)
6375 r"""__repr__(SphereDistanceToSingletonScore self) -> std::string"""
6376 return _IMP_core.SphereDistanceToSingletonScore___repr__(self)
6380 return _object_cast_to_SphereDistanceToSingletonScore(o)
6384 _IMP_core.SphereDistanceToSingletonScore_swigregister(SphereDistanceToSingletonScore)
6386 r"""Proxy of C++ IMP::core::ExcludedVolumeRestraint class."""
6388 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6390 def __init__(self, *args):
6391 r"""__init__(ExcludedVolumeRestraint self, _SingletonContainerAdaptor sc, double k=1, double slack=10, std::string name="ExcludedVolumeRestraint%1%") -> ExcludedVolumeRestraint"""
6392 _IMP_core.ExcludedVolumeRestraint_swiginit(self, _IMP_core.new_ExcludedVolumeRestraint(*args))
6394 def do_get_inputs(self):
6395 r"""do_get_inputs(ExcludedVolumeRestraint self) -> IMP::ModelObjectsTemp"""
6396 return _IMP_core.ExcludedVolumeRestraint_do_get_inputs(self)
6398 def get_version_info(self):
6399 r"""get_version_info(ExcludedVolumeRestraint self) -> VersionInfo"""
6400 return _IMP_core.ExcludedVolumeRestraint_get_version_info(self)
6401 __swig_destroy__ = _IMP_core.delete_ExcludedVolumeRestraint
6403 def do_create_decomposition(self):
6404 r"""do_create_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6405 return _IMP_core.ExcludedVolumeRestraint_do_create_decomposition(self)
6407 def do_create_current_decomposition(self):
6408 r"""do_create_current_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6409 return _IMP_core.ExcludedVolumeRestraint_do_create_current_decomposition(self)
6412 r"""get_indexes(ExcludedVolumeRestraint self) -> IMP::ParticleIndexPairs const &"""
6413 return _IMP_core.ExcludedVolumeRestraint_get_indexes(self)
6414 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)
6415 def __set_pair_filters(self, obj): IMP._list_util.set_varlist(self.pair_filters, obj)
6416 def __del_pair_filters(self): IMP._list_util.del_varlist(self.pair_filters)
6417 pair_filters = property(__get_pair_filters, __set_pair_filters, __del_pair_filters, doc=
"List of ##ucnames")
6419 def remove_pair_filter(self, d):
6420 r"""remove_pair_filter(ExcludedVolumeRestraint self, PairPredicate d)"""
6421 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filter(self, d)
6423 def _python_index_pair_filter(self, d, start, stop):
6424 r"""_python_index_pair_filter(ExcludedVolumeRestraint self, PairPredicate d, unsigned int start, unsigned int stop) -> unsigned int"""
6425 return _IMP_core.ExcludedVolumeRestraint__python_index_pair_filter(self, d, start, stop)
6427 def remove_pair_filters(self, d):
6428 r"""remove_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & d)"""
6429 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filters(self, d)
6431 def set_pair_filters(self, ps):
6432 r"""set_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & ps)"""
6433 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters(self, ps)
6435 def set_pair_filters_order(self, objs):
6436 r"""set_pair_filters_order(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6437 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters_order(self, objs)
6439 def add_pair_filter(self, obj):
6440 r"""add_pair_filter(ExcludedVolumeRestraint self, PairPredicate obj) -> unsigned int"""
6441 return _IMP_core.ExcludedVolumeRestraint_add_pair_filter(self, obj)
6443 def add_pair_filters(self, objs):
6444 r"""add_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6445 return _IMP_core.ExcludedVolumeRestraint_add_pair_filters(self, objs)
6447 def clear_pair_filters(self):
6448 r"""clear_pair_filters(ExcludedVolumeRestraint self)"""
6449 return _IMP_core.ExcludedVolumeRestraint_clear_pair_filters(self)
6451 def get_number_of_pair_filters(self):
6452 r"""get_number_of_pair_filters(ExcludedVolumeRestraint self) -> unsigned int"""
6453 return _IMP_core.ExcludedVolumeRestraint_get_number_of_pair_filters(self)
6455 def get_has_pair_filters(self):
6456 r"""get_has_pair_filters(ExcludedVolumeRestraint self) -> bool"""
6457 return _IMP_core.ExcludedVolumeRestraint_get_has_pair_filters(self)
6459 def get_pair_filter(self, i):
6460 r"""get_pair_filter(ExcludedVolumeRestraint self, unsigned int i) -> PairPredicate"""
6461 return _IMP_core.ExcludedVolumeRestraint_get_pair_filter(self, i)
6463 def get_pair_filters(self):
6464 r"""get_pair_filters(ExcludedVolumeRestraint self) -> IMP::PairPredicates"""
6465 return _IMP_core.ExcludedVolumeRestraint_get_pair_filters(self)
6467 def erase_pair_filter(self, i):
6468 r"""erase_pair_filter(ExcludedVolumeRestraint self, unsigned int i)"""
6469 return _IMP_core.ExcludedVolumeRestraint_erase_pair_filter(self, i)
6471 def reserve_pair_filters(self, sz):
6472 r"""reserve_pair_filters(ExcludedVolumeRestraint self, unsigned int sz)"""
6473 return _IMP_core.ExcludedVolumeRestraint_reserve_pair_filters(self, sz)
6476 r"""__str__(ExcludedVolumeRestraint self) -> std::string"""
6477 return _IMP_core.ExcludedVolumeRestraint___str__(self)
6480 r"""__repr__(ExcludedVolumeRestraint self) -> std::string"""
6481 return _IMP_core.ExcludedVolumeRestraint___repr__(self)
6485 return _object_cast_to_ExcludedVolumeRestraint(o)
6489 _IMP_core.ExcludedVolumeRestraint_swigregister(ExcludedVolumeRestraint)
6491 r"""Proxy of C++ IMP::core::FixedRefiner class."""
6493 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6495 def __init__(self, *args):
6497 __init__(FixedRefiner self, IMP::ParticlesTemp const & ps) -> FixedRefiner
6498 __init__(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> FixedRefiner
6499 __init__(FixedRefiner self) -> FixedRefiner
6501 _IMP_core.FixedRefiner_swiginit(self, _IMP_core.new_FixedRefiner(*args))
6503 def do_get_inputs(self, m, pis):
6504 r"""do_get_inputs(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6505 return _IMP_core.FixedRefiner_do_get_inputs(self, m, pis)
6507 def get_version_info(self):
6508 r"""get_version_info(FixedRefiner self) -> VersionInfo"""
6509 return _IMP_core.FixedRefiner_get_version_info(self)
6510 __swig_destroy__ = _IMP_core.delete_FixedRefiner
6513 r"""__str__(FixedRefiner self) -> std::string"""
6514 return _IMP_core.FixedRefiner___str__(self)
6517 r"""__repr__(FixedRefiner self) -> std::string"""
6518 return _IMP_core.FixedRefiner___repr__(self)
6522 return _object_cast_to_FixedRefiner(o)
6525 def _get_as_binary(self):
6526 r"""_get_as_binary(FixedRefiner self) -> PyObject *"""
6527 return _IMP_core.FixedRefiner__get_as_binary(self)
6529 def _set_from_binary(self, p):
6530 r"""_set_from_binary(FixedRefiner self, PyObject * p)"""
6531 return _IMP_core.FixedRefiner__set_from_binary(self, p)
6533 def __getstate__(self):
6534 p = self._get_as_binary()
6535 if len(self.__dict__) > 1:
6536 d = self.__dict__.copy()
6541 def __setstate__(self, p):
6542 if not hasattr(self,
'this'):
6544 if isinstance(p, tuple):
6546 self.__dict__.update(d)
6547 return self._set_from_binary(p)
6551 _IMP_core.FixedRefiner_swigregister(FixedRefiner)
6552 class GridClosePairsFinder(ClosePairsFinder):
6553 r"""Proxy of C++ IMP::core::GridClosePairsFinder class."""
6555 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6558 r"""__init__(GridClosePairsFinder self) -> GridClosePairsFinder"""
6559 _IMP_core.GridClosePairsFinder_swiginit(self, _IMP_core.new_GridClosePairsFinder())
6561 def get_close_pairs(self, *args):
6563 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6564 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6565 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
6566 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
6568 return _IMP_core.GridClosePairsFinder_get_close_pairs(self, *args)
6570 def do_get_inputs(self, m, pis):
6571 r"""do_get_inputs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6572 return _IMP_core.GridClosePairsFinder_do_get_inputs(self, m, pis)
6574 def get_version_info(self):
6575 r"""get_version_info(GridClosePairsFinder self) -> VersionInfo"""
6576 return _IMP_core.GridClosePairsFinder_get_version_info(self)
6577 __swig_destroy__ = _IMP_core.delete_GridClosePairsFinder
6580 r"""__str__(GridClosePairsFinder self) -> std::string"""
6581 return _IMP_core.GridClosePairsFinder___str__(self)
6584 r"""__repr__(GridClosePairsFinder self) -> std::string"""
6585 return _IMP_core.GridClosePairsFinder___repr__(self)
6589 return _object_cast_to_GridClosePairsFinder(o)
6592 def _get_as_binary(self):
6593 r"""_get_as_binary(GridClosePairsFinder self) -> PyObject *"""
6594 return _IMP_core.GridClosePairsFinder__get_as_binary(self)
6596 def _set_from_binary(self, p):
6597 r"""_set_from_binary(GridClosePairsFinder self, PyObject * p)"""
6598 return _IMP_core.GridClosePairsFinder__set_from_binary(self, p)
6600 def __getstate__(self):
6601 p = self._get_as_binary()
6602 if len(self.__dict__) > 1:
6603 d = self.__dict__.copy()
6608 def __setstate__(self, p):
6609 if not hasattr(self,
'this'):
6611 if isinstance(p, tuple):
6613 self.__dict__.update(d)
6614 return self._set_from_binary(p)
6618 _IMP_core.GridClosePairsFinder_swigregister(GridClosePairsFinder)
6620 r"""Proxy of C++ IMP::core::Harmonic class."""
6622 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6624 def __init__(self, *args):
6626 __init__(Harmonic self, IMP::Float mean, IMP::Float k) -> Harmonic
6627 __init__(Harmonic self) -> Harmonic
6629 _IMP_core.Harmonic_swiginit(self, _IMP_core.new_Harmonic(*args))
6631 def get_version_info(self):
6632 r"""get_version_info(Harmonic self) -> VersionInfo"""
6633 return _IMP_core.Harmonic_get_version_info(self)
6634 __swig_destroy__ = _IMP_core.delete_Harmonic
6637 r"""get_mean(Harmonic self) -> IMP::Float"""
6638 return _IMP_core.Harmonic_get_mean(self)
6641 r"""get_k(Harmonic self) -> IMP::Float"""
6642 return _IMP_core.Harmonic_get_k(self)
6644 def set_mean(self, mean):
6645 r"""set_mean(Harmonic self, IMP::Float mean)"""
6646 return _IMP_core.Harmonic_set_mean(self, mean)
6649 r"""set_k(Harmonic self, IMP::Float k)"""
6650 return _IMP_core.Harmonic_set_k(self, k)
6653 def get_k_from_standard_deviation(sd, t=297.15):
6654 r"""get_k_from_standard_deviation(IMP::Float sd, IMP::Float t=297.15) -> IMP::Float"""
6655 return _IMP_core.Harmonic_get_k_from_standard_deviation(sd, t)
6658 r"""__str__(Harmonic self) -> std::string"""
6659 return _IMP_core.Harmonic___str__(self)
6662 r"""__repr__(Harmonic self) -> std::string"""
6663 return _IMP_core.Harmonic___repr__(self)
6667 return _object_cast_to_Harmonic(o)
6670 def _get_as_binary(self):
6671 r"""_get_as_binary(Harmonic self) -> PyObject *"""
6672 return _IMP_core.Harmonic__get_as_binary(self)
6674 def _set_from_binary(self, p):
6675 r"""_set_from_binary(Harmonic self, PyObject * p)"""
6676 return _IMP_core.Harmonic__set_from_binary(self, p)
6678 def __getstate__(self):
6679 p = self._get_as_binary()
6680 if len(self.__dict__) > 1:
6681 d = self.__dict__.copy()
6686 def __setstate__(self, p):
6687 if not hasattr(self,
'this'):
6689 if isinstance(p, tuple):
6691 self.__dict__.update(d)
6692 return self._set_from_binary(p)
6696 def score(val, mean, k):
6697 return 0.5 * k * (mean - val) ** 2
6698 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6702 _IMP_core.Harmonic_swigregister(Harmonic)
6704 r"""Proxy of C++ IMP::core::HarmonicWell class."""
6706 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6708 def __init__(self, well, k):
6709 r"""__init__(HarmonicWell self, IMP::FloatRange const & well, double k) -> HarmonicWell"""
6710 _IMP_core.HarmonicWell_swiginit(self, _IMP_core.new_HarmonicWell(well, k))
6713 r"""get_well(HarmonicWell self) -> IMP::FloatRange"""
6714 return _IMP_core.HarmonicWell_get_well(self)
6717 r"""get_k(HarmonicWell self) -> double"""
6718 return _IMP_core.HarmonicWell_get_k(self)
6720 def get_version_info(self):
6721 r"""get_version_info(HarmonicWell self) -> VersionInfo"""
6722 return _IMP_core.HarmonicWell_get_version_info(self)
6723 __swig_destroy__ = _IMP_core.delete_HarmonicWell
6726 r"""__str__(HarmonicWell self) -> std::string"""
6727 return _IMP_core.HarmonicWell___str__(self)
6730 r"""__repr__(HarmonicWell self) -> std::string"""
6731 return _IMP_core.HarmonicWell___repr__(self)
6735 return _object_cast_to_HarmonicWell(o)
6739 import jax.numpy
as jnp
6740 def score(val, lb, ub, k):
6741 return 0.5 * k * (val - jnp.clip(val, lb, ub)) ** 2
6742 well = self.get_well()
6743 return functools.partial(score, lb=well[0], ub=well[1], k=self.get_k())
6747 _IMP_core.HarmonicWell_swigregister(HarmonicWell)
6748 class HarmonicLowerBound(Harmonic):
6749 r"""Proxy of C++ IMP::core::HarmonicLowerBound class."""
6751 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6753 def __init__(self, *args):
6755 __init__(HarmonicLowerBound self, IMP::Float mean, IMP::Float k) -> HarmonicLowerBound
6756 __init__(HarmonicLowerBound self) -> HarmonicLowerBound
6758 _IMP_core.HarmonicLowerBound_swiginit(self, _IMP_core.new_HarmonicLowerBound(*args))
6759 __swig_destroy__ = _IMP_core.delete_HarmonicLowerBound
6762 r"""__str__(HarmonicLowerBound self) -> std::string"""
6763 return _IMP_core.HarmonicLowerBound___str__(self)
6766 r"""__repr__(HarmonicLowerBound self) -> std::string"""
6767 return _IMP_core.HarmonicLowerBound___repr__(self)
6771 return _object_cast_to_HarmonicLowerBound(o)
6774 def _get_as_binary(self):
6775 r"""_get_as_binary(HarmonicLowerBound self) -> PyObject *"""
6776 return _IMP_core.HarmonicLowerBound__get_as_binary(self)
6778 def _set_from_binary(self, p):
6779 r"""_set_from_binary(HarmonicLowerBound self, PyObject * p)"""
6780 return _IMP_core.HarmonicLowerBound__set_from_binary(self, p)
6782 def __getstate__(self):
6783 p = self._get_as_binary()
6784 if len(self.__dict__) > 1:
6785 d = self.__dict__.copy()
6790 def __setstate__(self, p):
6791 if not hasattr(self,
'this'):
6793 if isinstance(p, tuple):
6795 self.__dict__.update(d)
6796 return self._set_from_binary(p)
6801 def score(val, mean, k):
6802 return 0.5 * k * jax.lax.max(mean - val, 0.0) ** 2
6803 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6807 _IMP_core.HarmonicLowerBound_swigregister(HarmonicLowerBound)
6808 class HarmonicUpperBound(Harmonic):
6809 r"""Proxy of C++ IMP::core::HarmonicUpperBound class."""
6811 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6813 def __init__(self, *args):
6815 __init__(HarmonicUpperBound self, IMP::Float mean, IMP::Float k) -> HarmonicUpperBound
6816 __init__(HarmonicUpperBound self) -> HarmonicUpperBound
6818 _IMP_core.HarmonicUpperBound_swiginit(self, _IMP_core.new_HarmonicUpperBound(*args))
6819 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBound
6822 r"""__str__(HarmonicUpperBound self) -> std::string"""
6823 return _IMP_core.HarmonicUpperBound___str__(self)
6826 r"""__repr__(HarmonicUpperBound self) -> std::string"""
6827 return _IMP_core.HarmonicUpperBound___repr__(self)
6831 return _object_cast_to_HarmonicUpperBound(o)
6834 def _get_as_binary(self):
6835 r"""_get_as_binary(HarmonicUpperBound self) -> PyObject *"""
6836 return _IMP_core.HarmonicUpperBound__get_as_binary(self)
6838 def _set_from_binary(self, p):
6839 r"""_set_from_binary(HarmonicUpperBound self, PyObject * p)"""
6840 return _IMP_core.HarmonicUpperBound__set_from_binary(self, p)
6842 def __getstate__(self):
6843 p = self._get_as_binary()
6844 if len(self.__dict__) > 1:
6845 d = self.__dict__.copy()
6850 def __setstate__(self, p):
6851 if not hasattr(self,
'this'):
6853 if isinstance(p, tuple):
6855 self.__dict__.update(d)
6856 return self._set_from_binary(p)
6861 def score(val, mean, k):
6862 return 0.5 * k * jax.lax.min(mean - val, 0.0) ** 2
6863 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6867 _IMP_core.HarmonicUpperBound_swigregister(HarmonicUpperBound)
6869 r"""Proxy of C++ IMP::core::WeightedSum class."""
6871 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6873 def __init__(self, funcs, weights):
6874 r"""__init__(WeightedSum self, IMP::UnaryFunctions funcs, IMP::Floats weights) -> WeightedSum"""
6875 _IMP_core.WeightedSum_swiginit(self, _IMP_core.new_WeightedSum(funcs, weights))
6877 def get_function_number(self):
6878 r"""get_function_number(WeightedSum self) -> unsigned int"""
6879 return _IMP_core.WeightedSum_get_function_number(self)
6881 def set_weights(self, weights):
6882 r"""set_weights(WeightedSum self, IMP::Floats weights)"""
6883 return _IMP_core.WeightedSum_set_weights(self, weights)
6885 def get_weights(self):
6886 r"""get_weights(WeightedSum self) -> IMP::Floats"""
6887 return _IMP_core.WeightedSum_get_weights(self)
6889 def get_weight(self, i):
6890 r"""get_weight(WeightedSum self, unsigned int i) -> double"""
6891 return _IMP_core.WeightedSum_get_weight(self, i)
6893 def get_function(self, i):
6894 r"""get_function(WeightedSum self, unsigned int i) -> UnaryFunction"""
6895 return _IMP_core.WeightedSum_get_function(self, i)
6897 def get_version_info(self):
6898 r"""get_version_info(WeightedSum self) -> VersionInfo"""
6899 return _IMP_core.WeightedSum_get_version_info(self)
6900 __swig_destroy__ = _IMP_core.delete_WeightedSum
6903 r"""__str__(WeightedSum self) -> std::string"""
6904 return _IMP_core.WeightedSum___str__(self)
6907 r"""__repr__(WeightedSum self) -> std::string"""
6908 return _IMP_core.WeightedSum___repr__(self)
6912 return _object_cast_to_WeightedSum(o)
6916 import jax.numpy
as jnp
6917 def score(val, funcs, weights):
6918 return sum(f(val) * weight
for (f, weight)
in zip(funcs, weights))
6919 nfunc = self.get_function_number()
6920 funcs = [self.get_function(i).get_derived_object()._get_jax()
6921 for i
in range(nfunc)]
6922 return functools.partial(score, funcs=funcs,
6923 weights=self.get_weights())
6927 _IMP_core.WeightedSum_swigregister(WeightedSum)
6929 r"""Proxy of C++ IMP::core::WeightedSumOfExponential class."""
6931 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6933 def __init__(self, funcs, weights, denom=1.0):
6934 r"""__init__(WeightedSumOfExponential self, IMP::UnaryFunctions funcs, IMP::Floats weights, IMP::Float denom=1.0) -> WeightedSumOfExponential"""
6935 _IMP_core.WeightedSumOfExponential_swiginit(self, _IMP_core.new_WeightedSumOfExponential(funcs, weights, denom))
6937 def get_function_number(self):
6938 r"""get_function_number(WeightedSumOfExponential self) -> unsigned int"""
6939 return _IMP_core.WeightedSumOfExponential_get_function_number(self)
6941 def set_weights(self, weights):
6942 r"""set_weights(WeightedSumOfExponential self, IMP::Floats weights)"""
6943 return _IMP_core.WeightedSumOfExponential_set_weights(self, weights)
6945 def get_weights(self):
6946 r"""get_weights(WeightedSumOfExponential self) -> IMP::Floats"""
6947 return _IMP_core.WeightedSumOfExponential_get_weights(self)
6949 def get_weight(self, i):
6950 r"""get_weight(WeightedSumOfExponential self, unsigned int i) -> double"""
6951 return _IMP_core.WeightedSumOfExponential_get_weight(self, i)
6953 def get_function(self, i):
6954 r"""get_function(WeightedSumOfExponential self, unsigned int i) -> UnaryFunction"""
6955 return _IMP_core.WeightedSumOfExponential_get_function(self, i)
6957 def set_denominator(self, denom):
6958 r"""set_denominator(WeightedSumOfExponential self, double denom)"""
6959 return _IMP_core.WeightedSumOfExponential_set_denominator(self, denom)
6961 def get_denominator(self):
6962 r"""get_denominator(WeightedSumOfExponential self) -> double"""
6963 return _IMP_core.WeightedSumOfExponential_get_denominator(self)
6965 def get_version_info(self):
6966 r"""get_version_info(WeightedSumOfExponential self) -> VersionInfo"""
6967 return _IMP_core.WeightedSumOfExponential_get_version_info(self)
6968 __swig_destroy__ = _IMP_core.delete_WeightedSumOfExponential
6971 r"""__str__(WeightedSumOfExponential self) -> std::string"""
6972 return _IMP_core.WeightedSumOfExponential___str__(self)
6975 r"""__repr__(WeightedSumOfExponential self) -> std::string"""
6976 return _IMP_core.WeightedSumOfExponential___repr__(self)
6980 return _object_cast_to_WeightedSumOfExponential(o)
6984 import jax.numpy
as jnp
6985 def score(val, funcs, weights, denom):
6986 exp_sum = sum(weight * jnp.exp(-f(val) / denom)
6987 for (f, weight)
in zip(funcs, weights))
6988 return -jnp.log(exp_sum) * denom
6989 nfunc = self.get_function_number()
6990 funcs = [self.get_function(i).get_derived_object()._get_jax()
6991 for i
in range(nfunc)]
6992 return functools.partial(score, funcs=funcs,
6993 weights=self.get_weights(),
6994 denom=self.get_denominator())
6998 _IMP_core.WeightedSumOfExponential_swigregister(WeightedSumOfExponential)
7000 r"""Proxy of C++ IMP::core::MSConnectivityRestraint class."""
7002 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7004 def __init__(self, m, ps, eps=0.1):
7005 r"""__init__(MSConnectivityRestraint self, Model m, PairScore ps, double eps=0.1) -> MSConnectivityRestraint"""
7006 _IMP_core.MSConnectivityRestraint_swiginit(self, _IMP_core.new_MSConnectivityRestraint(m, ps, eps))
7008 def add_type(self, ps):
7009 r"""add_type(MSConnectivityRestraint self, IMP::ParticlesTemp const & ps) -> unsigned int"""
7010 return _IMP_core.MSConnectivityRestraint_add_type(self, ps)
7012 def add_composite(self, *args):
7014 add_composite(MSConnectivityRestraint self, IMP::Ints const & components) -> unsigned int
7015 add_composite(MSConnectivityRestraint self, IMP::Ints const & components, unsigned int parent) -> unsigned int
7017 return _IMP_core.MSConnectivityRestraint_add_composite(self, *args)
7019 def get_connected_pairs(self):
7020 r"""get_connected_pairs(MSConnectivityRestraint self) -> IMP::ParticlePairsTemp"""
7021 return _IMP_core.MSConnectivityRestraint_get_connected_pairs(self)
7023 def get_pair_score(self):
7024 r"""get_pair_score(MSConnectivityRestraint self) -> PairScore"""
7025 return _IMP_core.MSConnectivityRestraint_get_pair_score(self)
7027 def do_create_current_decomposition(self):
7028 r"""do_create_current_decomposition(MSConnectivityRestraint self) -> IMP::Restraints"""
7029 return _IMP_core.MSConnectivityRestraint_do_create_current_decomposition(self)
7031 def do_get_inputs(self):
7032 r"""do_get_inputs(MSConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
7033 return _IMP_core.MSConnectivityRestraint_do_get_inputs(self)
7035 def get_version_info(self):
7036 r"""get_version_info(MSConnectivityRestraint self) -> VersionInfo"""
7037 return _IMP_core.MSConnectivityRestraint_get_version_info(self)
7038 __swig_destroy__ = _IMP_core.delete_MSConnectivityRestraint
7041 r"""__str__(MSConnectivityRestraint self) -> std::string"""
7042 return _IMP_core.MSConnectivityRestraint___str__(self)
7045 r"""__repr__(MSConnectivityRestraint self) -> std::string"""
7046 return _IMP_core.MSConnectivityRestraint___repr__(self)
7050 return _object_cast_to_MSConnectivityRestraint(o)
7054 _IMP_core.MSConnectivityRestraint_swigregister(MSConnectivityRestraint)
7055 class HierarchyTraits(object):
7056 r"""Proxy of C++ IMP::core::HierarchyTraits class."""
7058 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7060 def __init__(self, *args):
7062 __init__(HierarchyTraits self) -> HierarchyTraits
7063 __init__(HierarchyTraits self, std::string name) -> HierarchyTraits
7065 _IMP_core.HierarchyTraits_swiginit(self, _IMP_core.new_HierarchyTraits(*args))
7067 def get_children_key(self):
7068 r"""get_children_key(HierarchyTraits self) -> ParticleIndexesKey"""
7069 return _IMP_core.HierarchyTraits_get_children_key(self)
7071 def get_parent_key(self):
7072 r"""get_parent_key(HierarchyTraits self) -> ParticleIndexKey"""
7073 return _IMP_core.HierarchyTraits_get_parent_key(self)
7075 def __eq__(self, o):
7076 r"""__eq__(HierarchyTraits self, HierarchyTraits o) -> bool"""
7077 return _IMP_core.HierarchyTraits___eq__(self, o)
7079 def show(self, *args):
7080 r"""show(HierarchyTraits self, _ostream out=std::cout)"""
7081 return _IMP_core.HierarchyTraits_show(self, *args)
7084 r"""__str__(HierarchyTraits self) -> std::string"""
7085 return _IMP_core.HierarchyTraits___str__(self)
7088 r"""__repr__(HierarchyTraits self) -> std::string"""
7089 return _IMP_core.HierarchyTraits___repr__(self)
7090 __swig_destroy__ = _IMP_core.delete_HierarchyTraits
7093 _IMP_core.HierarchyTraits_swigregister(HierarchyTraits)
7095 r"""Proxy of C++ IMP::core::Hierarchy class."""
7097 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7099 def get_decorator_traits(self):
7100 r"""get_decorator_traits(Hierarchy self) -> HierarchyTraits"""
7101 return _IMP_core.Hierarchy_get_decorator_traits(self)
7104 def get_default_decorator_traits():
7105 r"""get_default_decorator_traits() -> HierarchyTraits"""
7106 return _IMP_core.Hierarchy_get_default_decorator_traits()
7108 def __init__(self, *args):
7110 __init__(Hierarchy self) -> Hierarchy
7111 __init__(Hierarchy self, Model m, ParticleIndex id, HierarchyTraits tr=get_default_traits()) -> Hierarchy
7112 __init__(Hierarchy self, _ParticleAdaptor d, HierarchyTraits tr=get_default_traits()) -> Hierarchy
7114 _IMP_core.Hierarchy_swiginit(self, _IMP_core.new_Hierarchy(*args))
7116 def show(self, *args):
7117 r"""show(Hierarchy self, _ostream out=std::cout)"""
7118 return _IMP_core.Hierarchy_show(self, *args)
7121 def setup_particle(*args):
7123 setup_particle(Model m, ParticleIndex pi, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7124 setup_particle(_ParticleAdaptor d, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7125 setup_particle(Model m, ParticleIndex pi, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7126 setup_particle(_ParticleAdaptor d, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7127 setup_particle(Model m, ParticleIndex pi, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7128 setup_particle(_ParticleAdaptor d, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7130 return _IMP_core.Hierarchy_setup_particle(*args)
7133 def get_is_setup(*args):
7135 get_is_setup(_ParticleAdaptor p, HierarchyTraits tr=get_default_traits()) -> bool
7136 get_is_setup(Model arg1, ParticleIndex arg2, HierarchyTraits arg3=Hierarchy::get_default_traits()) -> bool
7138 return _IMP_core.Hierarchy_get_is_setup(*args)
7141 def get_changed_key():
7142 r"""get_changed_key() -> TriggerKey"""
7143 return _IMP_core.Hierarchy_get_changed_key()
7145 def get_parent(self):
7146 r"""get_parent(Hierarchy self) -> Hierarchy"""
7147 return _IMP_core.Hierarchy_get_parent(self)
7149 def get_number_of_children(self):
7150 r"""get_number_of_children(Hierarchy self) -> unsigned int"""
7151 return _IMP_core.Hierarchy_get_number_of_children(self)
7153 def get_child(self, i):
7154 r"""get_child(Hierarchy self, unsigned int i) -> Hierarchy"""
7155 return _IMP_core.Hierarchy_get_child(self, i)
7157 def get_children_indexes(self):
7158 r"""get_children_indexes(Hierarchy self) -> IMP::ParticleIndexes"""
7159 return _IMP_core.Hierarchy_get_children_indexes(self)
7161 def get_children(self):
7162 r"""get_children(Hierarchy self) -> IMP::core::GenericHierarchies"""
7163 return _IMP_core.Hierarchy_get_children(self)
7165 def remove_child(self, *args):
7167 remove_child(Hierarchy self, unsigned int i)
7168 remove_child(Hierarchy self, Hierarchy h)
7170 return _IMP_core.Hierarchy_remove_child(self, *args)
7172 def clear_children(self):
7173 r"""clear_children(Hierarchy self)"""
7174 return _IMP_core.Hierarchy_clear_children(self)
7176 def add_child(self, h):
7177 r"""add_child(Hierarchy self, Hierarchy h)"""
7178 return _IMP_core.Hierarchy_add_child(self, h)
7180 def add_child_at(self, h, pos):
7181 r"""add_child_at(Hierarchy self, Hierarchy h, unsigned int pos)"""
7182 return _IMP_core.Hierarchy_add_child_at(self, h, pos)
7184 def get_child_index(self, *args):
7186 get_child_index(Hierarchy self, unsigned int i) -> ParticleIndex
7187 get_child_index(Hierarchy self) -> int
7189 return _IMP_core.Hierarchy_get_child_index(self, *args)
7192 def get_default_traits():
7193 r"""get_default_traits() -> HierarchyTraits"""
7194 return _IMP_core.Hierarchy_get_default_traits()
7196 def get_traits(self):
7197 r"""get_traits(Hierarchy self) -> HierarchyTraits"""
7198 return _IMP_core.Hierarchy_get_traits(self)
7200 def add_attribute(self, *args):
7202 add_attribute(Hierarchy self, FloatKey k, IMP::Float v, bool opt)
7203 add_attribute(Hierarchy self, FloatKey a0, IMP::Float a1)
7204 add_attribute(Hierarchy self, IntKey a0, IMP::Int a1)
7205 add_attribute(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7206 add_attribute(Hierarchy self, IntsKey a0, IMP::Ints a1)
7207 add_attribute(Hierarchy self, StringKey a0, IMP::String a1)
7208 add_attribute(Hierarchy self, ParticleIndexKey a0, Particle a1)
7209 add_attribute(Hierarchy self, ObjectKey a0, Object a1)
7210 add_attribute(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7211 add_attribute(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7212 add_attribute(Hierarchy self, SparseStringKey a0, IMP::String a1)
7213 add_attribute(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7215 return _IMP_core.Hierarchy_add_attribute(self, *args)
7217 def get_value(self, *args):
7219 get_value(Hierarchy self, FloatKey a0) -> IMP::Float
7220 get_value(Hierarchy self, IntKey a0) -> IMP::Int
7221 get_value(Hierarchy self, FloatsKey a0) -> IMP::Floats
7222 get_value(Hierarchy self, IntsKey a0) -> IMP::Ints
7223 get_value(Hierarchy self, StringKey a0) -> IMP::String
7224 get_value(Hierarchy self, ParticleIndexKey a0) -> Particle
7225 get_value(Hierarchy self, ObjectKey a0) -> Object
7226 get_value(Hierarchy self, SparseFloatKey a0) -> IMP::Float
7227 get_value(Hierarchy self, SparseIntKey a0) -> IMP::Int
7228 get_value(Hierarchy self, SparseStringKey a0) -> IMP::String
7229 get_value(Hierarchy self, SparseParticleIndexKey a0) -> ParticleIndex
7231 return _IMP_core.Hierarchy_get_value(self, *args)
7233 def set_value(self, *args):
7235 set_value(Hierarchy self, FloatKey a0, IMP::Float a1)
7236 set_value(Hierarchy self, IntKey a0, IMP::Int a1)
7237 set_value(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7238 set_value(Hierarchy self, IntsKey a0, IMP::Ints a1)
7239 set_value(Hierarchy self, StringKey a0, IMP::String a1)
7240 set_value(Hierarchy self, ParticleIndexKey a0, Particle a1)
7241 set_value(Hierarchy self, ObjectKey a0, Object a1)
7242 set_value(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7243 set_value(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7244 set_value(Hierarchy self, SparseStringKey a0, IMP::String a1)
7245 set_value(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7247 return _IMP_core.Hierarchy_set_value(self, *args)
7249 def remove_attribute(self, *args):
7251 remove_attribute(Hierarchy self, FloatKey a0)
7252 remove_attribute(Hierarchy self, IntKey a0)
7253 remove_attribute(Hierarchy self, FloatsKey a0)
7254 remove_attribute(Hierarchy self, IntsKey a0)
7255 remove_attribute(Hierarchy self, StringKey a0)
7256 remove_attribute(Hierarchy self, ParticleIndexKey a0)
7257 remove_attribute(Hierarchy self, ObjectKey a0)
7258 remove_attribute(Hierarchy self, SparseFloatKey a0)
7259 remove_attribute(Hierarchy self, SparseIntKey a0)
7260 remove_attribute(Hierarchy self, SparseStringKey a0)
7261 remove_attribute(Hierarchy self, SparseParticleIndexKey a0)
7263 return _IMP_core.Hierarchy_remove_attribute(self, *args)
7265 def has_attribute(self, *args):
7267 has_attribute(Hierarchy self, FloatKey a0) -> bool
7268 has_attribute(Hierarchy self, IntKey a0) -> bool
7269 has_attribute(Hierarchy self, FloatsKey a0) -> bool
7270 has_attribute(Hierarchy self, IntsKey a0) -> bool
7271 has_attribute(Hierarchy self, StringKey a0) -> bool
7272 has_attribute(Hierarchy self, ParticleIndexKey a0) -> bool
7273 has_attribute(Hierarchy self, ObjectKey a0) -> bool
7274 has_attribute(Hierarchy self, SparseFloatKey a0) -> bool
7275 has_attribute(Hierarchy self, SparseIntKey a0) -> bool
7276 has_attribute(Hierarchy self, SparseStringKey a0) -> bool
7277 has_attribute(Hierarchy self, SparseParticleIndexKey a0) -> bool
7279 return _IMP_core.Hierarchy_has_attribute(self, *args)
7281 def get_derivative(self, a0):
7282 r"""get_derivative(Hierarchy self, FloatKey a0) -> double"""
7283 return _IMP_core.Hierarchy_get_derivative(self, a0)
7286 r"""get_name(Hierarchy self) -> std::string"""
7287 return _IMP_core.Hierarchy_get_name(self)
7289 def clear_caches(self):
7290 r"""clear_caches(Hierarchy self)"""
7291 return _IMP_core.Hierarchy_clear_caches(self)
7293 def set_name(self, a0):
7294 r"""set_name(Hierarchy self, std::string a0)"""
7295 return _IMP_core.Hierarchy_set_name(self, a0)
7298 r"""set_check_level(Hierarchy self, IMP::CheckLevel a0)"""
7299 return _IMP_core.Hierarchy_set_check_level(self, a0)
7301 def add_to_derivative(self, a0, a1, a2):
7302 r"""add_to_derivative(Hierarchy self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7303 return _IMP_core.Hierarchy_add_to_derivative(self, a0, a1, a2)
7305 def set_is_optimized(self, a0, a1):
7306 r"""set_is_optimized(Hierarchy self, FloatKey a0, bool a1)"""
7307 return _IMP_core.Hierarchy_set_is_optimized(self, a0, a1)
7309 def get_is_optimized(self, a0):
7310 r"""get_is_optimized(Hierarchy self, FloatKey a0) -> bool"""
7311 return _IMP_core.Hierarchy_get_is_optimized(self, a0)
7314 r"""get_check_level(Hierarchy self) -> IMP::CheckLevel"""
7315 return _IMP_core.Hierarchy_get_check_level(self)
7317 def __eq__(self, *args):
7319 __eq__(Hierarchy self, Hierarchy o) -> bool
7320 __eq__(Hierarchy self, Particle d) -> bool
7322 return _IMP_core.Hierarchy___eq__(self, *args)
7324 def __ne__(self, *args):
7326 __ne__(Hierarchy self, Hierarchy o) -> bool
7327 __ne__(Hierarchy self, Particle d) -> bool
7329 return _IMP_core.Hierarchy___ne__(self, *args)
7331 def __le__(self, *args):
7333 __le__(Hierarchy self, Hierarchy o) -> bool
7334 __le__(Hierarchy self, Particle d) -> bool
7336 return _IMP_core.Hierarchy___le__(self, *args)
7338 def __lt__(self, *args):
7340 __lt__(Hierarchy self, Hierarchy o) -> bool
7341 __lt__(Hierarchy self, Particle d) -> bool
7343 return _IMP_core.Hierarchy___lt__(self, *args)
7345 def __ge__(self, *args):
7347 __ge__(Hierarchy self, Hierarchy o) -> bool
7348 __ge__(Hierarchy self, Particle d) -> bool
7350 return _IMP_core.Hierarchy___ge__(self, *args)
7352 def __gt__(self, *args):
7354 __gt__(Hierarchy self, Hierarchy o) -> bool
7355 __gt__(Hierarchy self, Particle d) -> bool
7357 return _IMP_core.Hierarchy___gt__(self, *args)
7360 r"""__hash__(Hierarchy self) -> std::size_t"""
7361 return _IMP_core.Hierarchy___hash__(self)
7364 r"""__str__(Hierarchy self) -> std::string"""
7365 return _IMP_core.Hierarchy___str__(self)
7368 r"""__repr__(Hierarchy self) -> std::string"""
7369 return _IMP_core.Hierarchy___repr__(self)
7370 __swig_destroy__ = _IMP_core.delete_Hierarchy
7373 _IMP_core.Hierarchy_swigregister(Hierarchy)
7374 class HierarchyVisitor(object):
7375 r"""Proxy of C++ IMP::core::HierarchyVisitor class."""
7377 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7378 __repr__ = _swig_repr
7381 r"""__init__(HierarchyVisitor self) -> HierarchyVisitor"""
7382 if self.__class__ == HierarchyVisitor:
7386 _IMP_core.HierarchyVisitor_swiginit(self, _IMP_core.new_HierarchyVisitor(_self, ))
7388 if self.__class__ != HierarchyVisitor:
7389 _director_objects.register(self)
7394 def __call__(self, p):
7395 r"""__call__(HierarchyVisitor self, Hierarchy p) -> bool"""
7396 return _IMP_core.HierarchyVisitor___call__(self, p)
7397 __swig_destroy__ = _IMP_core.delete_HierarchyVisitor
7398 def __disown__(self):
7400 _IMP_core.disown_HierarchyVisitor(self)
7401 return weakref.proxy(self)
7404 _IMP_core.HierarchyVisitor_swigregister(HierarchyVisitor)
7405 class ModifierVisitor(HierarchyVisitor):
7406 r"""Proxy of C++ IMP::core::ModifierVisitor class."""
7408 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7409 __repr__ = _swig_repr
7411 def __init__(self, sm):
7412 r"""__init__(ModifierVisitor self, SingletonModifier sm) -> ModifierVisitor"""
7413 _IMP_core.ModifierVisitor_swiginit(self, _IMP_core.new_ModifierVisitor(sm))
7414 __swig_destroy__ = _IMP_core.delete_ModifierVisitor
7417 _IMP_core.ModifierVisitor_swigregister(ModifierVisitor)
7418 class HierarchyCounter(HierarchyVisitor):
7419 r"""Proxy of C++ IMP::core::HierarchyCounter class."""
7421 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7424 r"""__init__(HierarchyCounter self) -> HierarchyCounter"""
7425 _IMP_core.HierarchyCounter_swiginit(self, _IMP_core.new_HierarchyCounter())
7427 def get_count(self):
7428 r"""get_count(HierarchyCounter self) -> unsigned int"""
7429 return _IMP_core.HierarchyCounter_get_count(self)
7431 def show(self, *args):
7432 r"""show(HierarchyCounter self, _ostream out=std::cout)"""
7433 return _IMP_core.HierarchyCounter_show(self, *args)
7436 r"""__str__(HierarchyCounter self) -> std::string"""
7437 return _IMP_core.HierarchyCounter___str__(self)
7440 r"""__repr__(HierarchyCounter self) -> std::string"""
7441 return _IMP_core.HierarchyCounter___repr__(self)
7443 def _get_as_binary(self):
7444 r"""_get_as_binary(HierarchyCounter self) -> PyObject *"""
7445 return _IMP_core.HierarchyCounter__get_as_binary(self)
7447 def _set_from_binary(self, p):
7448 r"""_set_from_binary(HierarchyCounter self, PyObject * p)"""
7449 return _IMP_core.HierarchyCounter__set_from_binary(self, p)
7451 def __getstate__(self):
7452 p = self._get_as_binary()
7453 if len(self.__dict__) > 1:
7454 d = self.__dict__.copy()
7459 def __setstate__(self, p):
7460 if not hasattr(self,
'this'):
7462 if isinstance(p, tuple):
7464 self.__dict__.update(d)
7465 return self._set_from_binary(p)
7467 __swig_destroy__ = _IMP_core.delete_HierarchyCounter
7470 _IMP_core.HierarchyCounter_swigregister(HierarchyCounter)
7473 r"""get_leaves(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7474 return _IMP_core.get_leaves(mhd)
7477 r"""get_internal(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7478 return _IMP_core.get_internal(mhd)
7481 r"""get_all_descendants(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7482 return _IMP_core.get_all_descendants(mhd)
7485 r"""get_root(Hierarchy h) -> Hierarchy"""
7486 return _IMP_core.get_root(h)
7489 r"""visit_breadth_first(Hierarchy d, HierarchyVisitor f)"""
7490 return _IMP_core.visit_breadth_first(d, f)
7493 r"""visit_depth_first(Hierarchy d, HierarchyVisitor f)"""
7494 return _IMP_core.visit_depth_first(d, f)
7496 r"""Proxy of C++ IMP::core::LeavesRefiner class."""
7498 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7500 def __init__(self, tr):
7501 r"""__init__(LeavesRefiner self, HierarchyTraits tr) -> LeavesRefiner"""
7502 _IMP_core.LeavesRefiner_swiginit(self, _IMP_core.new_LeavesRefiner(tr))
7504 def do_get_inputs(self, m, pis):
7505 r"""do_get_inputs(LeavesRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7506 return _IMP_core.LeavesRefiner_do_get_inputs(self, m, pis)
7508 def get_version_info(self):
7509 r"""get_version_info(LeavesRefiner self) -> VersionInfo"""
7510 return _IMP_core.LeavesRefiner_get_version_info(self)
7511 __swig_destroy__ = _IMP_core.delete_LeavesRefiner
7514 r"""__str__(LeavesRefiner self) -> std::string"""
7515 return _IMP_core.LeavesRefiner___str__(self)
7518 r"""__repr__(LeavesRefiner self) -> std::string"""
7519 return _IMP_core.LeavesRefiner___repr__(self)
7523 return _object_cast_to_LeavesRefiner(o)
7527 _IMP_core.LeavesRefiner_swigregister(LeavesRefiner)
7529 r"""Proxy of C++ IMP::core::Linear class."""
7531 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7533 def __init__(self, *args):
7535 __init__(Linear self, double offset, double slope) -> Linear
7536 __init__(Linear self) -> Linear
7538 _IMP_core.Linear_swiginit(self, _IMP_core.new_Linear(*args))
7540 def set_slope(self, f):
7541 r"""set_slope(Linear self, double f)"""
7542 return _IMP_core.Linear_set_slope(self, f)
7544 def get_slope(self):
7545 r"""get_slope(Linear self) -> double"""
7546 return _IMP_core.Linear_get_slope(self)
7548 def set_offset(self, f):
7549 r"""set_offset(Linear self, double f)"""
7550 return _IMP_core.Linear_set_offset(self, f)
7552 def get_offset(self):
7553 r"""get_offset(Linear self) -> double"""
7554 return _IMP_core.Linear_get_offset(self)
7556 def get_version_info(self):
7557 r"""get_version_info(Linear self) -> VersionInfo"""
7558 return _IMP_core.Linear_get_version_info(self)
7559 __swig_destroy__ = _IMP_core.delete_Linear
7562 r"""__str__(Linear self) -> std::string"""
7563 return _IMP_core.Linear___str__(self)
7566 r"""__repr__(Linear self) -> std::string"""
7567 return _IMP_core.Linear___repr__(self)
7571 return _object_cast_to_Linear(o)
7574 def _get_as_binary(self):
7575 r"""_get_as_binary(Linear self) -> PyObject *"""
7576 return _IMP_core.Linear__get_as_binary(self)
7578 def _set_from_binary(self, p):
7579 r"""_set_from_binary(Linear self, PyObject * p)"""
7580 return _IMP_core.Linear__set_from_binary(self, p)
7582 def __getstate__(self):
7583 p = self._get_as_binary()
7584 if len(self.__dict__) > 1:
7585 d = self.__dict__.copy()
7590 def __setstate__(self, p):
7591 if not hasattr(self,
'this'):
7593 if isinstance(p, tuple):
7595 self.__dict__.update(d)
7596 return self._set_from_binary(p)
7600 def score(val, slope, offset):
7601 return (val - offset) * slope
7602 return functools.partial(score, slope=self.get_slope(),
7603 offset=self.get_offset())
7607 _IMP_core.Linear_swigregister(Linear)
7608 class LogNormalMover(MonteCarloMover):
7609 r"""Proxy of C++ IMP::core::LogNormalMover class."""
7611 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7613 def __init__(self, *args):
7615 __init__(LogNormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> LogNormalMover
7616 __init__(LogNormalMover self, Model m, ParticleIndex pi, double stddev) -> LogNormalMover
7617 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> LogNormalMover
7618 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> LogNormalMover
7619 __init__(LogNormalMover self) -> LogNormalMover
7621 _IMP_core.LogNormalMover_swiginit(self, _IMP_core.new_LogNormalMover(*args))
7623 def set_sigma(self, sigma):
7624 r"""set_sigma(LogNormalMover self, IMP::Float sigma)"""
7625 return _IMP_core.LogNormalMover_set_sigma(self, sigma)
7627 def get_sigma(self):
7628 r"""get_sigma(LogNormalMover self) -> IMP::Float"""
7629 return _IMP_core.LogNormalMover_get_sigma(self)
7632 r"""get_indexes(LogNormalMover self) -> IMP::ParticleIndexes"""
7633 return _IMP_core.LogNormalMover_get_indexes(self)
7636 r"""get_keys(LogNormalMover self) -> IMP::FloatKeys"""
7637 return _IMP_core.LogNormalMover_get_keys(self)
7639 def get_version_info(self):
7640 r"""get_version_info(LogNormalMover self) -> VersionInfo"""
7641 return _IMP_core.LogNormalMover_get_version_info(self)
7642 __swig_destroy__ = _IMP_core.delete_LogNormalMover
7645 r"""__str__(LogNormalMover self) -> std::string"""
7646 return _IMP_core.LogNormalMover___str__(self)
7649 r"""__repr__(LogNormalMover self) -> std::string"""
7650 return _IMP_core.LogNormalMover___repr__(self)
7654 return _object_cast_to_LogNormalMover(o)
7657 def _get_as_binary(self):
7658 r"""_get_as_binary(LogNormalMover self) -> PyObject *"""
7659 return _IMP_core.LogNormalMover__get_as_binary(self)
7661 def _set_from_binary(self, p):
7662 r"""_set_from_binary(LogNormalMover self, PyObject * p)"""
7663 return _IMP_core.LogNormalMover__set_from_binary(self, p)
7665 def __getstate__(self):
7666 p = self._get_as_binary()
7667 if len(self.__dict__) > 1:
7668 d = self.__dict__.copy()
7673 def __setstate__(self, p):
7674 if not hasattr(self,
'this'):
7676 if isinstance(p, tuple):
7678 self.__dict__.update(d)
7679 return self._set_from_binary(p)
7684 from IMP.core._jax_util
import _get_offset_propose_func
7685 keys = self.get_keys()
7686 sigma = self.get_sigma()
7688 def offset_func(key, shape):
7689 key, subkey = jax.random.split(key)
7690 return key, jax.random.lognormal(subkey, sigma, shape)
7692 propose_func, keys = _get_offset_propose_func(
7693 self.get_indexes(), keys, offset_func)
7695 return self._wrap_jax(
lambda key: key, propose_func, keys=keys)
7699 _IMP_core.LogNormalMover_swigregister(LogNormalMover)
7700 IMP_CORE_HAS_MONTE_CARLO_MOVER = _IMP_core.IMP_CORE_HAS_MONTE_CARLO_MOVER
7703 r"""Proxy of C++ IMP::core::MonteCarlo class."""
7705 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7707 def __init__(self, *args):
7709 __init__(MonteCarlo self, Model m) -> MonteCarlo
7710 __init__(MonteCarlo self) -> MonteCarlo
7712 _IMP_core.MonteCarlo_swiginit(self, _IMP_core.new_MonteCarlo(*args))
7714 def get_version_info(self):
7715 r"""get_version_info(MonteCarlo self) -> VersionInfo"""
7716 return _IMP_core.MonteCarlo_get_version_info(self)
7717 __swig_destroy__ = _IMP_core.delete_MonteCarlo
7719 def set_return_best(self, tf):
7720 r"""set_return_best(MonteCarlo self, bool tf)"""
7721 return _IMP_core.MonteCarlo_set_return_best(self, tf)
7723 def get_return_best(self):
7724 r"""get_return_best(MonteCarlo self) -> bool"""
7725 return _IMP_core.MonteCarlo_get_return_best(self)
7727 def set_score_moved(self, mv):
7728 r"""set_score_moved(MonteCarlo self, bool mv)"""
7729 return _IMP_core.MonteCarlo_set_score_moved(self, mv)
7731 def set_kt(self, t):
7732 r"""set_kt(MonteCarlo self, IMP::Float t)"""
7733 return _IMP_core.MonteCarlo_set_kt(self, t)
7736 r"""get_kt(MonteCarlo self) -> IMP::Float"""
7737 return _IMP_core.MonteCarlo_get_kt(self)
7739 def get_last_accepted_energy(self):
7740 r"""get_last_accepted_energy(MonteCarlo self) -> double"""
7741 return _IMP_core.MonteCarlo_get_last_accepted_energy(self)
7743 def set_last_accepted_energy(self, energy):
7744 r"""set_last_accepted_energy(MonteCarlo self, double energy)"""
7745 return _IMP_core.MonteCarlo_set_last_accepted_energy(self, energy)
7747 def get_best_accepted_energy(self):
7748 r"""get_best_accepted_energy(MonteCarlo self) -> double"""
7749 return _IMP_core.MonteCarlo_get_best_accepted_energy(self)
7751 def set_best_accepted_energy(self, energy):
7752 r"""set_best_accepted_energy(MonteCarlo self, double energy)"""
7753 return _IMP_core.MonteCarlo_set_best_accepted_energy(self, energy)
7755 def get_number_of_downward_steps(self):
7756 r"""get_number_of_downward_steps(MonteCarlo self) -> unsigned int"""
7757 return _IMP_core.MonteCarlo_get_number_of_downward_steps(self)
7759 def get_number_of_upward_steps(self):
7760 r"""get_number_of_upward_steps(MonteCarlo self) -> unsigned int"""
7761 return _IMP_core.MonteCarlo_get_number_of_upward_steps(self)
7763 def get_number_of_proposed_steps(self):
7764 r"""get_number_of_proposed_steps(MonteCarlo self) -> unsigned int"""
7765 return _IMP_core.MonteCarlo_get_number_of_proposed_steps(self)
7767 def get_number_of_accepted_steps(self):
7768 r"""get_number_of_accepted_steps(MonteCarlo self) -> unsigned int"""
7769 return _IMP_core.MonteCarlo_get_number_of_accepted_steps(self)
7771 def set_number_of_downward_steps(self, nsteps):
7772 r"""set_number_of_downward_steps(MonteCarlo self, unsigned int nsteps)"""
7773 return _IMP_core.MonteCarlo_set_number_of_downward_steps(self, nsteps)
7775 def set_number_of_upward_steps(self, nsteps):
7776 r"""set_number_of_upward_steps(MonteCarlo self, unsigned int nsteps)"""
7777 return _IMP_core.MonteCarlo_set_number_of_upward_steps(self, nsteps)
7779 def set_number_of_rejected_steps(self, nsteps):
7780 r"""set_number_of_rejected_steps(MonteCarlo self, unsigned int nsteps)"""
7781 return _IMP_core.MonteCarlo_set_number_of_rejected_steps(self, nsteps)
7783 def reset_statistics(self):
7784 r"""reset_statistics(MonteCarlo self)"""
7785 return _IMP_core.MonteCarlo_reset_statistics(self)
7787 def set_score_threshold(self, s):
7788 r"""set_score_threshold(MonteCarlo self, double s)"""
7789 return _IMP_core.MonteCarlo_set_score_threshold(self, s)
7791 def get_score_threshold(self):
7792 r"""get_score_threshold(MonteCarlo self) -> double"""
7793 return _IMP_core.MonteCarlo_get_score_threshold(self)
7795 def set_maximum_difference(self, d):
7796 r"""set_maximum_difference(MonteCarlo self, double d)"""
7797 return _IMP_core.MonteCarlo_set_maximum_difference(self, d)
7799 def get_maximum_difference(self):
7800 r"""get_maximum_difference(MonteCarlo self) -> double"""
7801 return _IMP_core.MonteCarlo_get_maximum_difference(self)
7802 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)
7803 def __set_movers(self, obj): IMP._list_util.set_varlist(self.movers, obj)
7804 def __del_movers(self): IMP._list_util.del_varlist(self.movers)
7805 movers = property(__get_movers, __set_movers, __del_movers, doc=
"List of ##ucnames")
7807 def remove_mover(self, d):
7808 r"""remove_mover(MonteCarlo self, MonteCarloMover d)"""
7809 return _IMP_core.MonteCarlo_remove_mover(self, d)
7811 def _python_index_mover(self, d, start, stop):
7812 r"""_python_index_mover(MonteCarlo self, MonteCarloMover d, unsigned int start, unsigned int stop) -> unsigned int"""
7813 return _IMP_core.MonteCarlo__python_index_mover(self, d, start, stop)
7815 def remove_movers(self, d):
7816 r"""remove_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & d)"""
7817 return _IMP_core.MonteCarlo_remove_movers(self, d)
7819 def set_movers(self, ps):
7820 r"""set_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & ps)"""
7821 return _IMP_core.MonteCarlo_set_movers(self, ps)
7823 def set_movers_order(self, objs):
7824 r"""set_movers_order(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7825 return _IMP_core.MonteCarlo_set_movers_order(self, objs)
7827 def add_mover(self, obj):
7828 r"""add_mover(MonteCarlo self, MonteCarloMover obj) -> unsigned int"""
7829 return _IMP_core.MonteCarlo_add_mover(self, obj)
7831 def add_movers(self, objs):
7832 r"""add_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7833 return _IMP_core.MonteCarlo_add_movers(self, objs)
7835 def clear_movers(self):
7836 r"""clear_movers(MonteCarlo self)"""
7837 return _IMP_core.MonteCarlo_clear_movers(self)
7839 def get_number_of_movers(self):
7840 r"""get_number_of_movers(MonteCarlo self) -> unsigned int"""
7841 return _IMP_core.MonteCarlo_get_number_of_movers(self)
7843 def get_has_movers(self):
7844 r"""get_has_movers(MonteCarlo self) -> bool"""
7845 return _IMP_core.MonteCarlo_get_has_movers(self)
7847 def get_mover(self, i):
7848 r"""get_mover(MonteCarlo self, unsigned int i) -> MonteCarloMover"""
7849 return _IMP_core.MonteCarlo_get_mover(self, i)
7851 def get_movers(self):
7852 r"""get_movers(MonteCarlo self) -> IMP::core::MonteCarloMovers"""
7853 return _IMP_core.MonteCarlo_get_movers(self)
7855 def erase_mover(self, i):
7856 r"""erase_mover(MonteCarlo self, unsigned int i)"""
7857 return _IMP_core.MonteCarlo_erase_mover(self, i)
7859 def reserve_movers(self, sz):
7860 r"""reserve_movers(MonteCarlo self, unsigned int sz)"""
7861 return _IMP_core.MonteCarlo_reserve_movers(self, sz)
7864 r"""__str__(MonteCarlo self) -> std::string"""
7865 return _IMP_core.MonteCarlo___str__(self)
7868 r"""__repr__(MonteCarlo self) -> std::string"""
7869 return _IMP_core.MonteCarlo___repr__(self)
7873 return _object_cast_to_MonteCarlo(o)
7876 def _get_as_binary(self):
7877 r"""_get_as_binary(MonteCarlo self) -> PyObject *"""
7878 return _IMP_core.MonteCarlo__get_as_binary(self)
7880 def _set_from_binary(self, p):
7881 r"""_set_from_binary(MonteCarlo self, PyObject * p)"""
7882 return _IMP_core.MonteCarlo__set_from_binary(self, p)
7884 def __getstate__(self):
7885 p = self._get_as_binary()
7886 if len(self.__dict__) > 1:
7887 d = self.__dict__.copy()
7892 def __setstate__(self, p):
7893 if not hasattr(self,
'this'):
7895 if isinstance(p, tuple):
7897 self.__dict__.update(d)
7898 return self._set_from_binary(p)
7902 from IMP.core._jax_util
import _MCJAXInfo
7903 return _MCJAXInfo(self)
7905 def _get_jax_optimizer(self, max_steps):
7906 import IMP.core._jax_util
7907 return IMP.core._jax_util._MCJAXOptimizer(self, max_steps)
7909 def _optimize_jax(self, max_steps):
7910 opt = self._get_jax_optimizer(max_steps)
7911 score, mc_state = opt.optimize(opt.get_initial_state())
7916 _IMP_core.MonteCarlo_swigregister(MonteCarlo)
7917 class MonteCarloWithLocalOptimization(MonteCarlo):
7918 r"""Proxy of C++ IMP::core::MonteCarloWithLocalOptimization class."""
7920 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7922 def __init__(self, opt, steps):
7923 r"""__init__(MonteCarloWithLocalOptimization self, Optimizer opt, unsigned int steps) -> MonteCarloWithLocalOptimization"""
7924 _IMP_core.MonteCarloWithLocalOptimization_swiginit(self, _IMP_core.new_MonteCarloWithLocalOptimization(opt, steps))
7926 def get_number_of_steps(self):
7927 r"""get_number_of_steps(MonteCarloWithLocalOptimization self) -> unsigned int"""
7928 return _IMP_core.MonteCarloWithLocalOptimization_get_number_of_steps(self)
7930 def get_local_optimizer(self):
7931 r"""get_local_optimizer(MonteCarloWithLocalOptimization self) -> Optimizer"""
7932 return _IMP_core.MonteCarloWithLocalOptimization_get_local_optimizer(self)
7933 __swig_destroy__ = _IMP_core.delete_MonteCarloWithLocalOptimization
7936 r"""__str__(MonteCarloWithLocalOptimization self) -> std::string"""
7937 return _IMP_core.MonteCarloWithLocalOptimization___str__(self)
7940 r"""__repr__(MonteCarloWithLocalOptimization self) -> std::string"""
7941 return _IMP_core.MonteCarloWithLocalOptimization___repr__(self)
7945 return _object_cast_to_MonteCarloWithLocalOptimization(o)
7949 _IMP_core.MonteCarloWithLocalOptimization_swigregister(MonteCarloWithLocalOptimization)
7950 class MonteCarloWithBasinHopping(MonteCarloWithLocalOptimization):
7951 r"""Proxy of C++ IMP::core::MonteCarloWithBasinHopping class."""
7953 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7955 def __init__(self, opt, ns):
7956 r"""__init__(MonteCarloWithBasinHopping self, Optimizer opt, unsigned int ns) -> MonteCarloWithBasinHopping"""
7957 _IMP_core.MonteCarloWithBasinHopping_swiginit(self, _IMP_core.new_MonteCarloWithBasinHopping(opt, ns))
7958 __swig_destroy__ = _IMP_core.delete_MonteCarloWithBasinHopping
7961 r"""__str__(MonteCarloWithBasinHopping self) -> std::string"""
7962 return _IMP_core.MonteCarloWithBasinHopping___str__(self)
7965 r"""__repr__(MonteCarloWithBasinHopping self) -> std::string"""
7966 return _IMP_core.MonteCarloWithBasinHopping___repr__(self)
7970 return _object_cast_to_MonteCarloWithBasinHopping(o)
7974 _IMP_core.MonteCarloWithBasinHopping_swigregister(MonteCarloWithBasinHopping)
7976 r"""Proxy of C++ IMP::core::NeighborsTable class."""
7978 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7980 def __init__(self, *args):
7981 r"""__init__(NeighborsTable self, PairContainer input, std::string name="CloseNeighborsTable%1%") -> NeighborsTable"""
7982 _IMP_core.NeighborsTable_swiginit(self, _IMP_core.new_NeighborsTable(*args))
7984 def get_neighbors(self, pi):
7985 r"""get_neighbors(NeighborsTable self, ParticleIndex pi) -> IMP::ParticleIndexes const &"""
7986 return _IMP_core.NeighborsTable_get_neighbors(self, pi)
7988 def get_version_info(self):
7989 r"""get_version_info(NeighborsTable self) -> VersionInfo"""
7990 return _IMP_core.NeighborsTable_get_version_info(self)
7991 __swig_destroy__ = _IMP_core.delete_NeighborsTable
7994 r"""__str__(NeighborsTable self) -> std::string"""
7995 return _IMP_core.NeighborsTable___str__(self)
7998 r"""__repr__(NeighborsTable self) -> std::string"""
7999 return _IMP_core.NeighborsTable___repr__(self)
8003 return _object_cast_to_NeighborsTable(o)
8007 _IMP_core.NeighborsTable_swigregister(NeighborsTable)
8008 class NormalMover(MonteCarloMover):
8009 r"""Proxy of C++ IMP::core::NormalMover class."""
8011 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8013 def __init__(self, *args):
8015 __init__(NormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> NormalMover
8016 __init__(NormalMover self, Model m, ParticleIndex pi, double stddev) -> NormalMover
8017 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> NormalMover
8018 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> NormalMover
8019 __init__(NormalMover self) -> NormalMover
8021 _IMP_core.NormalMover_swiginit(self, _IMP_core.new_NormalMover(*args))
8023 def set_sigma(self, sigma):
8024 r"""set_sigma(NormalMover self, IMP::Float sigma)"""
8025 return _IMP_core.NormalMover_set_sigma(self, sigma)
8027 def get_sigma(self):
8028 r"""get_sigma(NormalMover self) -> IMP::Float"""
8029 return _IMP_core.NormalMover_get_sigma(self)
8032 r"""get_indexes(NormalMover self) -> IMP::ParticleIndexes"""
8033 return _IMP_core.NormalMover_get_indexes(self)
8036 r"""get_keys(NormalMover self) -> IMP::FloatKeys"""
8037 return _IMP_core.NormalMover_get_keys(self)
8039 def get_version_info(self):
8040 r"""get_version_info(NormalMover self) -> VersionInfo"""
8041 return _IMP_core.NormalMover_get_version_info(self)
8042 __swig_destroy__ = _IMP_core.delete_NormalMover
8045 r"""__str__(NormalMover self) -> std::string"""
8046 return _IMP_core.NormalMover___str__(self)
8049 r"""__repr__(NormalMover self) -> std::string"""
8050 return _IMP_core.NormalMover___repr__(self)
8054 return _object_cast_to_NormalMover(o)
8057 def _get_as_binary(self):
8058 r"""_get_as_binary(NormalMover self) -> PyObject *"""
8059 return _IMP_core.NormalMover__get_as_binary(self)
8061 def _set_from_binary(self, p):
8062 r"""_set_from_binary(NormalMover self, PyObject * p)"""
8063 return _IMP_core.NormalMover__set_from_binary(self, p)
8065 def __getstate__(self):
8066 p = self._get_as_binary()
8067 if len(self.__dict__) > 1:
8068 d = self.__dict__.copy()
8073 def __setstate__(self, p):
8074 if not hasattr(self,
'this'):
8076 if isinstance(p, tuple):
8078 self.__dict__.update(d)
8079 return self._set_from_binary(p)
8084 from IMP.core._jax_util
import _get_offset_propose_func
8085 keys = self.get_keys()
8086 sigma = self.get_sigma()
8088 def offset_func(key, shape):
8089 key, subkey = jax.random.split(key)
8090 return key, jax.random.normal(subkey, shape) * sigma
8092 propose_func, keys = _get_offset_propose_func(
8093 self.get_indexes(), keys, offset_func)
8095 return self._wrap_jax(
lambda key: key, propose_func, keys=keys)
8099 _IMP_core.NormalMover_swigregister(NormalMover)
8100 class OpenCubicSpline(_OpenCubicSplineBase):
8101 r"""Proxy of C++ IMP::core::OpenCubicSpline class."""
8103 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8105 def __init__(self, values, minrange, spacing, extend=False):
8106 r"""__init__(OpenCubicSpline self, IMP::Floats const & values, IMP::Float minrange, IMP::Float spacing, bool extend=False) -> OpenCubicSpline"""
8107 _IMP_core.OpenCubicSpline_swiginit(self, _IMP_core.new_OpenCubicSpline(values, minrange, spacing, extend))
8109 def get_minrange(self):
8110 r"""get_minrange(OpenCubicSpline self) -> IMP::Float"""
8111 return _IMP_core.OpenCubicSpline_get_minrange(self)
8113 def get_spacing(self):
8114 r"""get_spacing(OpenCubicSpline self) -> IMP::Float"""
8115 return _IMP_core.OpenCubicSpline_get_spacing(self)
8117 def get_values(self):
8118 r"""get_values(OpenCubicSpline self) -> IMP::Floats"""
8119 return _IMP_core.OpenCubicSpline_get_values(self)
8121 def get_extend(self):
8122 r"""get_extend(OpenCubicSpline self) -> bool"""
8123 return _IMP_core.OpenCubicSpline_get_extend(self)
8125 def get_second_derivatives(self):
8126 r"""get_second_derivatives(OpenCubicSpline self) -> IMP::Floats"""
8127 return _IMP_core.OpenCubicSpline_get_second_derivatives(self)
8130 r"""__str__(OpenCubicSpline self) -> std::string"""
8131 return _IMP_core.OpenCubicSpline___str__(self)
8134 r"""__repr__(OpenCubicSpline self) -> std::string"""
8135 return _IMP_core.OpenCubicSpline___repr__(self)
8139 return _object_cast_to_OpenCubicSpline(o)
8143 import jax.numpy
as jnp
8144 from IMP.core._jax_util
import _spline
8145 def score(feature, minrange, maxrange, spacing, values, second_derivs):
8147 feature = jnp.clip(feature, minrange, maxrange)
8149 lowbin = jnp.array((feature - minrange) / spacing, dtype=int)
8150 return _spline(feature, minrange, lowbin, lowbin + 1, spacing,
8151 values, second_derivs)
8152 spacing = self.get_spacing()
8153 minrange = self.get_minrange()
8154 values = jnp.asarray(self.get_values())
8155 maxrange = minrange + spacing * (len(values) - 1)
8156 return functools.partial(
8157 score, minrange=minrange, maxrange=maxrange,
8158 spacing=spacing, values=values,
8159 second_derivs=jnp.asarray(self.get_second_derivatives()))
8161 __swig_destroy__ = _IMP_core.delete_OpenCubicSpline
8164 _IMP_core.OpenCubicSpline_swigregister(OpenCubicSpline)
8165 class QuadraticClosePairsFinder(ClosePairsFinder):
8166 r"""Proxy of C++ IMP::core::QuadraticClosePairsFinder class."""
8168 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8171 r"""__init__(QuadraticClosePairsFinder self) -> QuadraticClosePairsFinder"""
8172 _IMP_core.QuadraticClosePairsFinder_swiginit(self, _IMP_core.new_QuadraticClosePairsFinder())
8174 def get_are_close_and_filtered(self, *args):
8176 get_are_close_and_filtered(QuadraticClosePairsFinder self, Particle a, Particle b) -> bool
8177 get_are_close_and_filtered(QuadraticClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b) -> bool
8179 return _IMP_core.QuadraticClosePairsFinder_get_are_close_and_filtered(self, *args)
8181 def get_close_pairs(self, *args):
8183 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
8184 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
8185 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
8186 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
8188 return _IMP_core.QuadraticClosePairsFinder_get_close_pairs(self, *args)
8190 def do_get_inputs(self, m, pis):
8191 r"""do_get_inputs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8192 return _IMP_core.QuadraticClosePairsFinder_do_get_inputs(self, m, pis)
8194 def get_version_info(self):
8195 r"""get_version_info(QuadraticClosePairsFinder self) -> VersionInfo"""
8196 return _IMP_core.QuadraticClosePairsFinder_get_version_info(self)
8197 __swig_destroy__ = _IMP_core.delete_QuadraticClosePairsFinder
8200 r"""__str__(QuadraticClosePairsFinder self) -> std::string"""
8201 return _IMP_core.QuadraticClosePairsFinder___str__(self)
8204 r"""__repr__(QuadraticClosePairsFinder self) -> std::string"""
8205 return _IMP_core.QuadraticClosePairsFinder___repr__(self)
8209 return _object_cast_to_QuadraticClosePairsFinder(o)
8213 _IMP_core.QuadraticClosePairsFinder_swigregister(QuadraticClosePairsFinder)
8215 r"""Proxy of C++ IMP::core::RefinedPairsPairScore class."""
8217 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8219 def __init__(self, r, f):
8220 r"""__init__(RefinedPairsPairScore self, Refiner r, PairScore f) -> RefinedPairsPairScore"""
8221 _IMP_core.RefinedPairsPairScore_swiginit(self, _IMP_core.new_RefinedPairsPairScore(r, f))
8223 def do_get_inputs(self, m, pis):
8224 r"""do_get_inputs(RefinedPairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8225 return _IMP_core.RefinedPairsPairScore_do_get_inputs(self, m, pis)
8227 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
8228 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"""
8229 return _IMP_core.RefinedPairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
8231 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8232 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"""
8233 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
8235 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
8236 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"""
8237 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
8239 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8240 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"""
8241 return _IMP_core.RefinedPairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
8243 def get_version_info(self):
8244 r"""get_version_info(RefinedPairsPairScore self) -> VersionInfo"""
8245 return _IMP_core.RefinedPairsPairScore_get_version_info(self)
8246 __swig_destroy__ = _IMP_core.delete_RefinedPairsPairScore
8249 r"""__str__(RefinedPairsPairScore self) -> std::string"""
8250 return _IMP_core.RefinedPairsPairScore___str__(self)
8253 r"""__repr__(RefinedPairsPairScore self) -> std::string"""
8254 return _IMP_core.RefinedPairsPairScore___repr__(self)
8258 return _object_cast_to_RefinedPairsPairScore(o)
8262 _IMP_core.RefinedPairsPairScore_swigregister(RefinedPairsPairScore)
8263 class RigidBody(XYZ):
8264 r"""Proxy of C++ IMP::core::RigidBody class."""
8266 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8268 def get_rigid_members(self):
8269 r"""get_rigid_members(RigidBody self) -> IMP::core::RigidMembers"""
8270 return _IMP_core.RigidBody_get_rigid_members(self)
8273 def get_rotation_key():
8274 r"""get_rotation_key() -> Vector4DDerivKey"""
8275 return _IMP_core.RigidBody_get_rotation_key()
8277 def get_member_particle_indexes(self):
8278 r"""get_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
8279 return _IMP_core.RigidBody_get_member_particle_indexes(self)
8281 def get_body_member_particle_indexes(self):
8282 r"""get_body_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
8283 return _IMP_core.RigidBody_get_body_member_particle_indexes(self)
8285 def get_member_indexes(self):
8286 r"""get_member_indexes(RigidBody self) -> IMP::ParticleIndexes"""
8287 return _IMP_core.RigidBody_get_member_indexes(self)
8289 def show(self, *args):
8290 r"""show(RigidBody self, _ostream out=std::cout)"""
8291 return _IMP_core.RigidBody_show(self, *args)
8294 def setup_particle(*args):
8296 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor ps) -> RigidBody
8297 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor ps) -> RigidBody
8298 setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf) -> RigidBody
8299 setup_particle(_ParticleAdaptor pa, ReferenceFrame3D rf) -> RigidBody
8301 return _IMP_core.RigidBody_setup_particle(*args)
8304 def teardown_particle(rb):
8305 r"""teardown_particle(RigidBody rb)"""
8306 return _IMP_core.RigidBody_teardown_particle(rb)
8308 def __init__(self, *args):
8310 __init__(RigidBody self) -> RigidBody
8311 __init__(RigidBody self, Model m, ParticleIndex id) -> RigidBody
8312 __init__(RigidBody self, _ParticleAdaptor d) -> RigidBody
8313 __init__(RigidBody self, RigidBody arg2) -> RigidBody
8315 _IMP_core.RigidBody_swiginit(self, _IMP_core.new_RigidBody(*args))
8316 __swig_destroy__ = _IMP_core.delete_RigidBody
8319 def get_is_setup(*args):
8321 get_is_setup(_ParticleAdaptor p) -> bool
8322 get_is_setup(Model m, ParticleIndex pi) -> bool
8324 return _IMP_core.RigidBody_get_is_setup(*args)
8326 def get_coordinates(self):
8327 r"""get_coordinates(RigidBody self) -> Vector3D"""
8328 return _IMP_core.RigidBody_get_coordinates(self)
8330 def get_rotation(self):
8331 r"""get_rotation(RigidBody self) -> Rotation3D"""
8332 return _IMP_core.RigidBody_get_rotation(self)
8334 def get_reference_frame(self):
8335 r"""get_reference_frame(RigidBody self) -> ReferenceFrame3D"""
8336 return _IMP_core.RigidBody_get_reference_frame(self)
8338 def set_reference_frame(self, tr):
8339 r"""set_reference_frame(RigidBody self, ReferenceFrame3D tr)"""
8340 return _IMP_core.RigidBody_set_reference_frame(self, tr)
8342 def set_reference_frame_lazy(self, tr):
8343 r"""set_reference_frame_lazy(RigidBody self, ReferenceFrame3D tr)"""
8344 return _IMP_core.RigidBody_set_reference_frame_lazy(self, tr)
8346 def set_reference_frame_from_members(self, members):
8347 r"""set_reference_frame_from_members(RigidBody self, IMP::ParticleIndexes const & members)"""
8348 return _IMP_core.RigidBody_set_reference_frame_from_members(self, members)
8350 def pull_back_members_adjoints(self, da):
8351 r"""pull_back_members_adjoints(RigidBody self, DerivativeAccumulator da)"""
8352 return _IMP_core.RigidBody_pull_back_members_adjoints(self, da)
8354 def pull_back_member_adjoints(self, pi, da):
8355 r"""pull_back_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8356 return _IMP_core.RigidBody_pull_back_member_adjoints(self, pi, da)
8358 def pull_back_body_member_adjoints(self, pi, da):
8359 r"""pull_back_body_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8360 return _IMP_core.RigidBody_pull_back_body_member_adjoints(self, pi, da)
8362 def add_to_rotational_derivatives(self, qderiv, da):
8363 r"""add_to_rotational_derivatives(RigidBody self, Vector4D qderiv, DerivativeAccumulator da)"""
8364 return _IMP_core.RigidBody_add_to_rotational_derivatives(self, qderiv, da)
8366 def add_to_torque(self, torque_local, da):
8367 r"""add_to_torque(RigidBody self, Vector3D torque_local, DerivativeAccumulator da)"""
8368 return _IMP_core.RigidBody_add_to_torque(self, torque_local, da)
8370 def get_torque(self):
8371 r"""get_torque(RigidBody self) -> Vector3D"""
8372 return _IMP_core.RigidBody_get_torque(self)
8374 def get_coordinates_are_optimized(self):
8375 r"""get_coordinates_are_optimized(RigidBody self) -> bool"""
8376 return _IMP_core.RigidBody_get_coordinates_are_optimized(self)
8378 def set_coordinates_are_optimized(self, tf):
8379 r"""set_coordinates_are_optimized(RigidBody self, bool tf)"""
8380 return _IMP_core.RigidBody_set_coordinates_are_optimized(self, tf)
8382 def normalize_rotation(self):
8383 r"""normalize_rotation(RigidBody self)"""
8384 return _IMP_core.RigidBody_normalize_rotation(self)
8386 def update_members(self):
8387 r"""update_members(RigidBody self)"""
8388 return _IMP_core.RigidBody_update_members(self)
8390 def get_rotational_derivatives(self):
8391 r"""get_rotational_derivatives(RigidBody self) -> Vector4D"""
8392 return _IMP_core.RigidBody_get_rotational_derivatives(self)
8394 def get_number_of_members(self):
8395 r"""get_number_of_members(RigidBody self) -> unsigned int"""
8396 return _IMP_core.RigidBody_get_number_of_members(self)
8398 def get_member(self, i):
8399 r"""get_member(RigidBody self, unsigned int i) -> RigidBodyMember"""
8400 return _IMP_core.RigidBody_get_member(self, i)
8402 def add_member(self, p):
8403 r"""add_member(RigidBody self, _ParticleIndexAdaptor p)"""
8404 return _IMP_core.RigidBody_add_member(self, p)
8406 def add_non_rigid_member(self, p):
8407 r"""add_non_rigid_member(RigidBody self, _ParticleIndexAdaptor p)"""
8408 return _IMP_core.RigidBody_add_non_rigid_member(self, p)
8410 def set_is_rigid_member(self, pi, tf):
8411 r"""set_is_rigid_member(RigidBody self, ParticleIndex pi, bool tf)"""
8412 return _IMP_core.RigidBody_set_is_rigid_member(self, pi, tf)
8414 def remove_member(self, p):
8415 r"""remove_member(RigidBody self, _ParticleIndexAdaptor p)"""
8416 return _IMP_core.RigidBody_remove_member(self, p)
8418 def add_attribute(self, *args):
8420 add_attribute(RigidBody self, FloatKey k, IMP::Float v, bool opt)
8421 add_attribute(RigidBody self, FloatKey a0, IMP::Float a1)
8422 add_attribute(RigidBody self, IntKey a0, IMP::Int a1)
8423 add_attribute(RigidBody self, FloatsKey a0, IMP::Floats a1)
8424 add_attribute(RigidBody self, IntsKey a0, IMP::Ints a1)
8425 add_attribute(RigidBody self, StringKey a0, IMP::String a1)
8426 add_attribute(RigidBody self, ParticleIndexKey a0, Particle a1)
8427 add_attribute(RigidBody self, ObjectKey a0, Object a1)
8428 add_attribute(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8429 add_attribute(RigidBody self, SparseIntKey a0, IMP::Int a1)
8430 add_attribute(RigidBody self, SparseStringKey a0, IMP::String a1)
8431 add_attribute(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8433 return _IMP_core.RigidBody_add_attribute(self, *args)
8435 def get_value(self, *args):
8437 get_value(RigidBody self, FloatKey a0) -> IMP::Float
8438 get_value(RigidBody self, IntKey a0) -> IMP::Int
8439 get_value(RigidBody self, FloatsKey a0) -> IMP::Floats
8440 get_value(RigidBody self, IntsKey a0) -> IMP::Ints
8441 get_value(RigidBody self, StringKey a0) -> IMP::String
8442 get_value(RigidBody self, ParticleIndexKey a0) -> Particle
8443 get_value(RigidBody self, ObjectKey a0) -> Object
8444 get_value(RigidBody self, SparseFloatKey a0) -> IMP::Float
8445 get_value(RigidBody self, SparseIntKey a0) -> IMP::Int
8446 get_value(RigidBody self, SparseStringKey a0) -> IMP::String
8447 get_value(RigidBody self, SparseParticleIndexKey a0) -> ParticleIndex
8449 return _IMP_core.RigidBody_get_value(self, *args)
8451 def set_value(self, *args):
8453 set_value(RigidBody self, FloatKey a0, IMP::Float a1)
8454 set_value(RigidBody self, IntKey a0, IMP::Int a1)
8455 set_value(RigidBody self, FloatsKey a0, IMP::Floats a1)
8456 set_value(RigidBody self, IntsKey a0, IMP::Ints a1)
8457 set_value(RigidBody self, StringKey a0, IMP::String a1)
8458 set_value(RigidBody self, ParticleIndexKey a0, Particle a1)
8459 set_value(RigidBody self, ObjectKey a0, Object a1)
8460 set_value(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8461 set_value(RigidBody self, SparseIntKey a0, IMP::Int a1)
8462 set_value(RigidBody self, SparseStringKey a0, IMP::String a1)
8463 set_value(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8465 return _IMP_core.RigidBody_set_value(self, *args)
8467 def remove_attribute(self, *args):
8469 remove_attribute(RigidBody self, FloatKey a0)
8470 remove_attribute(RigidBody self, IntKey a0)
8471 remove_attribute(RigidBody self, FloatsKey a0)
8472 remove_attribute(RigidBody self, IntsKey a0)
8473 remove_attribute(RigidBody self, StringKey a0)
8474 remove_attribute(RigidBody self, ParticleIndexKey a0)
8475 remove_attribute(RigidBody self, ObjectKey a0)
8476 remove_attribute(RigidBody self, SparseFloatKey a0)
8477 remove_attribute(RigidBody self, SparseIntKey a0)
8478 remove_attribute(RigidBody self, SparseStringKey a0)
8479 remove_attribute(RigidBody self, SparseParticleIndexKey a0)
8481 return _IMP_core.RigidBody_remove_attribute(self, *args)
8483 def has_attribute(self, *args):
8485 has_attribute(RigidBody self, FloatKey a0) -> bool
8486 has_attribute(RigidBody self, IntKey a0) -> bool
8487 has_attribute(RigidBody self, FloatsKey a0) -> bool
8488 has_attribute(RigidBody self, IntsKey a0) -> bool
8489 has_attribute(RigidBody self, StringKey a0) -> bool
8490 has_attribute(RigidBody self, ParticleIndexKey a0) -> bool
8491 has_attribute(RigidBody self, ObjectKey a0) -> bool
8492 has_attribute(RigidBody self, SparseFloatKey a0) -> bool
8493 has_attribute(RigidBody self, SparseIntKey a0) -> bool
8494 has_attribute(RigidBody self, SparseStringKey a0) -> bool
8495 has_attribute(RigidBody self, SparseParticleIndexKey a0) -> bool
8497 return _IMP_core.RigidBody_has_attribute(self, *args)
8499 def get_derivative(self, a0):
8500 r"""get_derivative(RigidBody self, FloatKey a0) -> double"""
8501 return _IMP_core.RigidBody_get_derivative(self, a0)
8504 r"""get_name(RigidBody self) -> std::string"""
8505 return _IMP_core.RigidBody_get_name(self)
8507 def clear_caches(self):
8508 r"""clear_caches(RigidBody self)"""
8509 return _IMP_core.RigidBody_clear_caches(self)
8511 def set_name(self, a0):
8512 r"""set_name(RigidBody self, std::string a0)"""
8513 return _IMP_core.RigidBody_set_name(self, a0)
8516 r"""set_check_level(RigidBody self, IMP::CheckLevel a0)"""
8517 return _IMP_core.RigidBody_set_check_level(self, a0)
8519 def add_to_derivative(self, a0, a1, a2):
8520 r"""add_to_derivative(RigidBody self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8521 return _IMP_core.RigidBody_add_to_derivative(self, a0, a1, a2)
8523 def set_is_optimized(self, a0, a1):
8524 r"""set_is_optimized(RigidBody self, FloatKey a0, bool a1)"""
8525 return _IMP_core.RigidBody_set_is_optimized(self, a0, a1)
8527 def get_is_optimized(self, a0):
8528 r"""get_is_optimized(RigidBody self, FloatKey a0) -> bool"""
8529 return _IMP_core.RigidBody_get_is_optimized(self, a0)
8532 r"""get_check_level(RigidBody self) -> IMP::CheckLevel"""
8533 return _IMP_core.RigidBody_get_check_level(self)
8535 def __eq__(self, *args):
8537 __eq__(RigidBody self, RigidBody o) -> bool
8538 __eq__(RigidBody self, Particle d) -> bool
8540 return _IMP_core.RigidBody___eq__(self, *args)
8542 def __ne__(self, *args):
8544 __ne__(RigidBody self, RigidBody o) -> bool
8545 __ne__(RigidBody self, Particle d) -> bool
8547 return _IMP_core.RigidBody___ne__(self, *args)
8549 def __le__(self, *args):
8551 __le__(RigidBody self, RigidBody o) -> bool
8552 __le__(RigidBody self, Particle d) -> bool
8554 return _IMP_core.RigidBody___le__(self, *args)
8556 def __lt__(self, *args):
8558 __lt__(RigidBody self, RigidBody o) -> bool
8559 __lt__(RigidBody self, Particle d) -> bool
8561 return _IMP_core.RigidBody___lt__(self, *args)
8563 def __ge__(self, *args):
8565 __ge__(RigidBody self, RigidBody o) -> bool
8566 __ge__(RigidBody self, Particle d) -> bool
8568 return _IMP_core.RigidBody___ge__(self, *args)
8570 def __gt__(self, *args):
8572 __gt__(RigidBody self, RigidBody o) -> bool
8573 __gt__(RigidBody self, Particle d) -> bool
8575 return _IMP_core.RigidBody___gt__(self, *args)
8578 r"""__hash__(RigidBody self) -> std::size_t"""
8579 return _IMP_core.RigidBody___hash__(self)
8582 r"""__str__(RigidBody self) -> std::string"""
8583 return _IMP_core.RigidBody___str__(self)
8586 r"""__repr__(RigidBody self) -> std::string"""
8587 return _IMP_core.RigidBody___repr__(self)
8589 def _get_as_binary(self):
8590 r"""_get_as_binary(RigidBody self) -> PyObject *"""
8591 return _IMP_core.RigidBody__get_as_binary(self)
8593 def _set_from_binary(self, p):
8594 r"""_set_from_binary(RigidBody self, PyObject * p)"""
8595 return _IMP_core.RigidBody__set_from_binary(self, p)
8597 def __getstate__(self):
8598 p = self._get_as_binary()
8599 if len(self.__dict__) > 1:
8600 d = self.__dict__.copy()
8605 def __setstate__(self, p):
8606 if not hasattr(self,
'this'):
8608 if isinstance(p, tuple):
8610 self.__dict__.update(d)
8611 return self._set_from_binary(p)
8615 _IMP_core.RigidBody_swigregister(RigidBody)
8618 r"""add_rigid_body_cache_key(ObjectKey k)"""
8619 return _IMP_core.add_rigid_body_cache_key(k)
8620 class RigidBodyMember(XYZ):
8621 r"""Proxy of C++ IMP::core::RigidBodyMember class."""
8623 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8625 def show(self, *args):
8626 r"""show(RigidBodyMember self, _ostream out=std::cout)"""
8627 return _IMP_core.RigidBodyMember_show(self, *args)
8629 def get_rigid_body(self):
8630 r"""get_rigid_body(RigidBodyMember self) -> RigidBody"""
8631 return _IMP_core.RigidBodyMember_get_rigid_body(self)
8633 def get_internal_coordinates(self):
8634 r"""get_internal_coordinates(RigidBodyMember self) -> Vector3D"""
8635 return _IMP_core.RigidBodyMember_get_internal_coordinates(self)
8637 def set_internal_coordinates(self, v):
8638 r"""set_internal_coordinates(RigidBodyMember self, Vector3D v)"""
8639 return _IMP_core.RigidBodyMember_set_internal_coordinates(self, v)
8641 def set_internal_transformation(self, v):
8642 r"""set_internal_transformation(RigidBodyMember self, Transformation3D v)"""
8643 return _IMP_core.RigidBodyMember_set_internal_transformation(self, v)
8645 def get_internal_transformation(self):
8646 r"""get_internal_transformation(RigidBodyMember self) -> Transformation3D"""
8647 return _IMP_core.RigidBodyMember_get_internal_transformation(self)
8648 __swig_destroy__ = _IMP_core.delete_RigidBodyMember
8650 def set_coordinates(self, *args):
8652 set_coordinates(RigidBodyMember self, Vector3D center)
8653 set_coordinates(RigidBodyMember self, Transformation3D tr)
8655 return _IMP_core.RigidBodyMember_set_coordinates(self, *args)
8657 def __init__(self, *args):
8659 __init__(RigidBodyMember self) -> RigidBodyMember
8660 __init__(RigidBodyMember self, Model m, ParticleIndex id) -> RigidBodyMember
8661 __init__(RigidBodyMember self, _ParticleAdaptor d) -> RigidBodyMember
8662 __init__(RigidBodyMember self, RigidBodyMember arg2) -> RigidBodyMember
8664 _IMP_core.RigidBodyMember_swiginit(self, _IMP_core.new_RigidBodyMember(*args))
8667 def get_is_setup(*args):
8669 get_is_setup(_ParticleAdaptor p) -> bool
8670 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
8672 return _IMP_core.RigidBodyMember_get_is_setup(*args)
8675 def get_internal_coordinate_keys():
8676 r"""get_internal_coordinate_keys() -> IMP::FloatKeys"""
8677 return _IMP_core.RigidBodyMember_get_internal_coordinate_keys()
8680 def get_internal_rotation_key():
8681 r"""get_internal_rotation_key() -> Vector4DDerivKey"""
8682 return _IMP_core.RigidBodyMember_get_internal_rotation_key()
8684 def add_attribute(self, *args):
8686 add_attribute(RigidBodyMember self, FloatKey k, IMP::Float v, bool opt)
8687 add_attribute(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8688 add_attribute(RigidBodyMember self, IntKey a0, IMP::Int a1)
8689 add_attribute(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8690 add_attribute(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8691 add_attribute(RigidBodyMember self, StringKey a0, IMP::String a1)
8692 add_attribute(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8693 add_attribute(RigidBodyMember self, ObjectKey a0, Object a1)
8694 add_attribute(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8695 add_attribute(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8696 add_attribute(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8697 add_attribute(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8699 return _IMP_core.RigidBodyMember_add_attribute(self, *args)
8701 def get_value(self, *args):
8703 get_value(RigidBodyMember self, FloatKey a0) -> IMP::Float
8704 get_value(RigidBodyMember self, IntKey a0) -> IMP::Int
8705 get_value(RigidBodyMember self, FloatsKey a0) -> IMP::Floats
8706 get_value(RigidBodyMember self, IntsKey a0) -> IMP::Ints
8707 get_value(RigidBodyMember self, StringKey a0) -> IMP::String
8708 get_value(RigidBodyMember self, ParticleIndexKey a0) -> Particle
8709 get_value(RigidBodyMember self, ObjectKey a0) -> Object
8710 get_value(RigidBodyMember self, SparseFloatKey a0) -> IMP::Float
8711 get_value(RigidBodyMember self, SparseIntKey a0) -> IMP::Int
8712 get_value(RigidBodyMember self, SparseStringKey a0) -> IMP::String
8713 get_value(RigidBodyMember self, SparseParticleIndexKey a0) -> ParticleIndex
8715 return _IMP_core.RigidBodyMember_get_value(self, *args)
8717 def set_value(self, *args):
8719 set_value(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8720 set_value(RigidBodyMember self, IntKey a0, IMP::Int a1)
8721 set_value(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8722 set_value(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8723 set_value(RigidBodyMember self, StringKey a0, IMP::String a1)
8724 set_value(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8725 set_value(RigidBodyMember self, ObjectKey a0, Object a1)
8726 set_value(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8727 set_value(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8728 set_value(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8729 set_value(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8731 return _IMP_core.RigidBodyMember_set_value(self, *args)
8733 def remove_attribute(self, *args):
8735 remove_attribute(RigidBodyMember self, FloatKey a0)
8736 remove_attribute(RigidBodyMember self, IntKey a0)
8737 remove_attribute(RigidBodyMember self, FloatsKey a0)
8738 remove_attribute(RigidBodyMember self, IntsKey a0)
8739 remove_attribute(RigidBodyMember self, StringKey a0)
8740 remove_attribute(RigidBodyMember self, ParticleIndexKey a0)
8741 remove_attribute(RigidBodyMember self, ObjectKey a0)
8742 remove_attribute(RigidBodyMember self, SparseFloatKey a0)
8743 remove_attribute(RigidBodyMember self, SparseIntKey a0)
8744 remove_attribute(RigidBodyMember self, SparseStringKey a0)
8745 remove_attribute(RigidBodyMember self, SparseParticleIndexKey a0)
8747 return _IMP_core.RigidBodyMember_remove_attribute(self, *args)
8749 def has_attribute(self, *args):
8751 has_attribute(RigidBodyMember self, FloatKey a0) -> bool
8752 has_attribute(RigidBodyMember self, IntKey a0) -> bool
8753 has_attribute(RigidBodyMember self, FloatsKey a0) -> bool
8754 has_attribute(RigidBodyMember self, IntsKey a0) -> bool
8755 has_attribute(RigidBodyMember self, StringKey a0) -> bool
8756 has_attribute(RigidBodyMember self, ParticleIndexKey a0) -> bool
8757 has_attribute(RigidBodyMember self, ObjectKey a0) -> bool
8758 has_attribute(RigidBodyMember self, SparseFloatKey a0) -> bool
8759 has_attribute(RigidBodyMember self, SparseIntKey a0) -> bool
8760 has_attribute(RigidBodyMember self, SparseStringKey a0) -> bool
8761 has_attribute(RigidBodyMember self, SparseParticleIndexKey a0) -> bool
8763 return _IMP_core.RigidBodyMember_has_attribute(self, *args)
8765 def get_derivative(self, a0):
8766 r"""get_derivative(RigidBodyMember self, FloatKey a0) -> double"""
8767 return _IMP_core.RigidBodyMember_get_derivative(self, a0)
8770 r"""get_name(RigidBodyMember self) -> std::string"""
8771 return _IMP_core.RigidBodyMember_get_name(self)
8773 def clear_caches(self):
8774 r"""clear_caches(RigidBodyMember self)"""
8775 return _IMP_core.RigidBodyMember_clear_caches(self)
8777 def set_name(self, a0):
8778 r"""set_name(RigidBodyMember self, std::string a0)"""
8779 return _IMP_core.RigidBodyMember_set_name(self, a0)
8782 r"""set_check_level(RigidBodyMember self, IMP::CheckLevel a0)"""
8783 return _IMP_core.RigidBodyMember_set_check_level(self, a0)
8785 def add_to_derivative(self, a0, a1, a2):
8786 r"""add_to_derivative(RigidBodyMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8787 return _IMP_core.RigidBodyMember_add_to_derivative(self, a0, a1, a2)
8789 def set_is_optimized(self, a0, a1):
8790 r"""set_is_optimized(RigidBodyMember self, FloatKey a0, bool a1)"""
8791 return _IMP_core.RigidBodyMember_set_is_optimized(self, a0, a1)
8793 def get_is_optimized(self, a0):
8794 r"""get_is_optimized(RigidBodyMember self, FloatKey a0) -> bool"""
8795 return _IMP_core.RigidBodyMember_get_is_optimized(self, a0)
8798 r"""get_check_level(RigidBodyMember self) -> IMP::CheckLevel"""
8799 return _IMP_core.RigidBodyMember_get_check_level(self)
8801 def __eq__(self, *args):
8803 __eq__(RigidBodyMember self, RigidBodyMember o) -> bool
8804 __eq__(RigidBodyMember self, Particle d) -> bool
8806 return _IMP_core.RigidBodyMember___eq__(self, *args)
8808 def __ne__(self, *args):
8810 __ne__(RigidBodyMember self, RigidBodyMember o) -> bool
8811 __ne__(RigidBodyMember self, Particle d) -> bool
8813 return _IMP_core.RigidBodyMember___ne__(self, *args)
8815 def __le__(self, *args):
8817 __le__(RigidBodyMember self, RigidBodyMember o) -> bool
8818 __le__(RigidBodyMember self, Particle d) -> bool
8820 return _IMP_core.RigidBodyMember___le__(self, *args)
8822 def __lt__(self, *args):
8824 __lt__(RigidBodyMember self, RigidBodyMember o) -> bool
8825 __lt__(RigidBodyMember self, Particle d) -> bool
8827 return _IMP_core.RigidBodyMember___lt__(self, *args)
8829 def __ge__(self, *args):
8831 __ge__(RigidBodyMember self, RigidBodyMember o) -> bool
8832 __ge__(RigidBodyMember self, Particle d) -> bool
8834 return _IMP_core.RigidBodyMember___ge__(self, *args)
8836 def __gt__(self, *args):
8838 __gt__(RigidBodyMember self, RigidBodyMember o) -> bool
8839 __gt__(RigidBodyMember self, Particle d) -> bool
8841 return _IMP_core.RigidBodyMember___gt__(self, *args)
8844 r"""__hash__(RigidBodyMember self) -> std::size_t"""
8845 return _IMP_core.RigidBodyMember___hash__(self)
8848 r"""__str__(RigidBodyMember self) -> std::string"""
8849 return _IMP_core.RigidBodyMember___str__(self)
8852 r"""__repr__(RigidBodyMember self) -> std::string"""
8853 return _IMP_core.RigidBodyMember___repr__(self)
8855 def _get_as_binary(self):
8856 r"""_get_as_binary(RigidBodyMember self) -> PyObject *"""
8857 return _IMP_core.RigidBodyMember__get_as_binary(self)
8859 def _set_from_binary(self, p):
8860 r"""_set_from_binary(RigidBodyMember self, PyObject * p)"""
8861 return _IMP_core.RigidBodyMember__set_from_binary(self, p)
8863 def __getstate__(self):
8864 p = self._get_as_binary()
8865 if len(self.__dict__) > 1:
8866 d = self.__dict__.copy()
8871 def __setstate__(self, p):
8872 if not hasattr(self,
'this'):
8874 if isinstance(p, tuple):
8876 self.__dict__.update(d)
8877 return self._set_from_binary(p)
8881 _IMP_core.RigidBodyMember_swigregister(RigidBodyMember)
8882 class RigidMember(RigidBodyMember):
8883 r"""Proxy of C++ IMP::core::RigidMember class."""
8885 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8887 def show(self, *args):
8888 r"""show(RigidMember self, _ostream out=std::cout)"""
8889 return _IMP_core.RigidMember_show(self, *args)
8891 def __init__(self, *args):
8893 __init__(RigidMember self) -> RigidMember
8894 __init__(RigidMember self, Model m, ParticleIndex id) -> RigidMember
8895 __init__(RigidMember self, _ParticleAdaptor d) -> RigidMember
8896 __init__(RigidMember self, RigidMember arg2) -> RigidMember
8898 _IMP_core.RigidMember_swiginit(self, _IMP_core.new_RigidMember(*args))
8899 __swig_destroy__ = _IMP_core.delete_RigidMember
8902 def get_is_setup(*args):
8904 get_is_setup(_ParticleAdaptor p) -> bool
8905 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
8907 return _IMP_core.RigidMember_get_is_setup(*args)
8909 def add_attribute(self, *args):
8911 add_attribute(RigidMember self, FloatKey k, IMP::Float v, bool opt)
8912 add_attribute(RigidMember self, FloatKey a0, IMP::Float a1)
8913 add_attribute(RigidMember self, IntKey a0, IMP::Int a1)
8914 add_attribute(RigidMember self, FloatsKey a0, IMP::Floats a1)
8915 add_attribute(RigidMember self, IntsKey a0, IMP::Ints a1)
8916 add_attribute(RigidMember self, StringKey a0, IMP::String a1)
8917 add_attribute(RigidMember self, ParticleIndexKey a0, Particle a1)
8918 add_attribute(RigidMember self, ObjectKey a0, Object a1)
8919 add_attribute(RigidMember self, SparseFloatKey a0, IMP::Float a1)
8920 add_attribute(RigidMember self, SparseIntKey a0, IMP::Int a1)
8921 add_attribute(RigidMember self, SparseStringKey a0, IMP::String a1)
8922 add_attribute(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8924 return _IMP_core.RigidMember_add_attribute(self, *args)
8926 def get_value(self, *args):
8928 get_value(RigidMember self, FloatKey a0) -> IMP::Float
8929 get_value(RigidMember self, IntKey a0) -> IMP::Int
8930 get_value(RigidMember self, FloatsKey a0) -> IMP::Floats
8931 get_value(RigidMember self, IntsKey a0) -> IMP::Ints
8932 get_value(RigidMember self, StringKey a0) -> IMP::String
8933 get_value(RigidMember self, ParticleIndexKey a0) -> Particle
8934 get_value(RigidMember self, ObjectKey a0) -> Object
8935 get_value(RigidMember self, SparseFloatKey a0) -> IMP::Float
8936 get_value(RigidMember self, SparseIntKey a0) -> IMP::Int
8937 get_value(RigidMember self, SparseStringKey a0) -> IMP::String
8938 get_value(RigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
8940 return _IMP_core.RigidMember_get_value(self, *args)
8942 def set_value(self, *args):
8944 set_value(RigidMember self, FloatKey a0, IMP::Float a1)
8945 set_value(RigidMember self, IntKey a0, IMP::Int a1)
8946 set_value(RigidMember self, FloatsKey a0, IMP::Floats a1)
8947 set_value(RigidMember self, IntsKey a0, IMP::Ints a1)
8948 set_value(RigidMember self, StringKey a0, IMP::String a1)
8949 set_value(RigidMember self, ParticleIndexKey a0, Particle a1)
8950 set_value(RigidMember self, ObjectKey a0, Object a1)
8951 set_value(RigidMember self, SparseFloatKey a0, IMP::Float a1)
8952 set_value(RigidMember self, SparseIntKey a0, IMP::Int a1)
8953 set_value(RigidMember self, SparseStringKey a0, IMP::String a1)
8954 set_value(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8956 return _IMP_core.RigidMember_set_value(self, *args)
8958 def remove_attribute(self, *args):
8960 remove_attribute(RigidMember self, FloatKey a0)
8961 remove_attribute(RigidMember self, IntKey a0)
8962 remove_attribute(RigidMember self, FloatsKey a0)
8963 remove_attribute(RigidMember self, IntsKey a0)
8964 remove_attribute(RigidMember self, StringKey a0)
8965 remove_attribute(RigidMember self, ParticleIndexKey a0)
8966 remove_attribute(RigidMember self, ObjectKey a0)
8967 remove_attribute(RigidMember self, SparseFloatKey a0)
8968 remove_attribute(RigidMember self, SparseIntKey a0)
8969 remove_attribute(RigidMember self, SparseStringKey a0)
8970 remove_attribute(RigidMember self, SparseParticleIndexKey a0)
8972 return _IMP_core.RigidMember_remove_attribute(self, *args)
8974 def has_attribute(self, *args):
8976 has_attribute(RigidMember self, FloatKey a0) -> bool
8977 has_attribute(RigidMember self, IntKey a0) -> bool
8978 has_attribute(RigidMember self, FloatsKey a0) -> bool
8979 has_attribute(RigidMember self, IntsKey a0) -> bool
8980 has_attribute(RigidMember self, StringKey a0) -> bool
8981 has_attribute(RigidMember self, ParticleIndexKey a0) -> bool
8982 has_attribute(RigidMember self, ObjectKey a0) -> bool
8983 has_attribute(RigidMember self, SparseFloatKey a0) -> bool
8984 has_attribute(RigidMember self, SparseIntKey a0) -> bool
8985 has_attribute(RigidMember self, SparseStringKey a0) -> bool
8986 has_attribute(RigidMember self, SparseParticleIndexKey a0) -> bool
8988 return _IMP_core.RigidMember_has_attribute(self, *args)
8990 def get_derivative(self, a0):
8991 r"""get_derivative(RigidMember self, FloatKey a0) -> double"""
8992 return _IMP_core.RigidMember_get_derivative(self, a0)
8995 r"""get_name(RigidMember self) -> std::string"""
8996 return _IMP_core.RigidMember_get_name(self)
8998 def clear_caches(self):
8999 r"""clear_caches(RigidMember self)"""
9000 return _IMP_core.RigidMember_clear_caches(self)
9002 def set_name(self, a0):
9003 r"""set_name(RigidMember self, std::string a0)"""
9004 return _IMP_core.RigidMember_set_name(self, a0)
9007 r"""set_check_level(RigidMember self, IMP::CheckLevel a0)"""
9008 return _IMP_core.RigidMember_set_check_level(self, a0)
9010 def add_to_derivative(self, a0, a1, a2):
9011 r"""add_to_derivative(RigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9012 return _IMP_core.RigidMember_add_to_derivative(self, a0, a1, a2)
9014 def set_is_optimized(self, a0, a1):
9015 r"""set_is_optimized(RigidMember self, FloatKey a0, bool a1)"""
9016 return _IMP_core.RigidMember_set_is_optimized(self, a0, a1)
9018 def get_is_optimized(self, a0):
9019 r"""get_is_optimized(RigidMember self, FloatKey a0) -> bool"""
9020 return _IMP_core.RigidMember_get_is_optimized(self, a0)
9023 r"""get_check_level(RigidMember self) -> IMP::CheckLevel"""
9024 return _IMP_core.RigidMember_get_check_level(self)
9026 def __eq__(self, *args):
9028 __eq__(RigidMember self, RigidMember o) -> bool
9029 __eq__(RigidMember self, Particle d) -> bool
9031 return _IMP_core.RigidMember___eq__(self, *args)
9033 def __ne__(self, *args):
9035 __ne__(RigidMember self, RigidMember o) -> bool
9036 __ne__(RigidMember self, Particle d) -> bool
9038 return _IMP_core.RigidMember___ne__(self, *args)
9040 def __le__(self, *args):
9042 __le__(RigidMember self, RigidMember o) -> bool
9043 __le__(RigidMember self, Particle d) -> bool
9045 return _IMP_core.RigidMember___le__(self, *args)
9047 def __lt__(self, *args):
9049 __lt__(RigidMember self, RigidMember o) -> bool
9050 __lt__(RigidMember self, Particle d) -> bool
9052 return _IMP_core.RigidMember___lt__(self, *args)
9054 def __ge__(self, *args):
9056 __ge__(RigidMember self, RigidMember o) -> bool
9057 __ge__(RigidMember self, Particle d) -> bool
9059 return _IMP_core.RigidMember___ge__(self, *args)
9061 def __gt__(self, *args):
9063 __gt__(RigidMember self, RigidMember o) -> bool
9064 __gt__(RigidMember self, Particle d) -> bool
9066 return _IMP_core.RigidMember___gt__(self, *args)
9069 r"""__hash__(RigidMember self) -> std::size_t"""
9070 return _IMP_core.RigidMember___hash__(self)
9073 r"""__str__(RigidMember self) -> std::string"""
9074 return _IMP_core.RigidMember___str__(self)
9077 r"""__repr__(RigidMember self) -> std::string"""
9078 return _IMP_core.RigidMember___repr__(self)
9080 def _get_as_binary(self):
9081 r"""_get_as_binary(RigidMember self) -> PyObject *"""
9082 return _IMP_core.RigidMember__get_as_binary(self)
9084 def _set_from_binary(self, p):
9085 r"""_set_from_binary(RigidMember self, PyObject * p)"""
9086 return _IMP_core.RigidMember__set_from_binary(self, p)
9088 def __getstate__(self):
9089 p = self._get_as_binary()
9090 if len(self.__dict__) > 1:
9091 d = self.__dict__.copy()
9096 def __setstate__(self, p):
9097 if not hasattr(self,
'this'):
9099 if isinstance(p, tuple):
9101 self.__dict__.update(d)
9102 return self._set_from_binary(p)
9106 _IMP_core.RigidMember_swigregister(RigidMember)
9107 class NonRigidMember(RigidBodyMember):
9108 r"""Proxy of C++ IMP::core::NonRigidMember class."""
9110 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9112 def show(self, *args):
9113 r"""show(NonRigidMember self, _ostream out=std::cout)"""
9114 return _IMP_core.NonRigidMember_show(self, *args)
9116 def __init__(self, *args):
9118 __init__(NonRigidMember self) -> NonRigidMember
9119 __init__(NonRigidMember self, Model m, ParticleIndex id) -> NonRigidMember
9120 __init__(NonRigidMember self, _ParticleAdaptor d) -> NonRigidMember
9121 __init__(NonRigidMember self, NonRigidMember arg2) -> NonRigidMember
9123 _IMP_core.NonRigidMember_swiginit(self, _IMP_core.new_NonRigidMember(*args))
9124 __swig_destroy__ = _IMP_core.delete_NonRigidMember
9127 def get_is_setup(*args):
9129 get_is_setup(_ParticleAdaptor p) -> bool
9130 get_is_setup(Model m, ParticleIndex p) -> bool
9132 return _IMP_core.NonRigidMember_get_is_setup(*args)
9134 def add_to_internal_derivatives(self, deriv_parent, da):
9135 r"""add_to_internal_derivatives(NonRigidMember self, Vector3D deriv_parent, DerivativeAccumulator da)"""
9136 return _IMP_core.NonRigidMember_add_to_internal_derivatives(self, deriv_parent, da)
9138 def add_to_internal_rotational_derivatives(self, qderiv, da):
9139 r"""add_to_internal_rotational_derivatives(NonRigidMember self, Vector4D qderiv, DerivativeAccumulator da)"""
9140 return _IMP_core.NonRigidMember_add_to_internal_rotational_derivatives(self, qderiv, da)
9142 def get_internal_derivatives(self):
9143 r"""get_internal_derivatives(NonRigidMember self) -> Vector3D"""
9144 return _IMP_core.NonRigidMember_get_internal_derivatives(self)
9146 def get_internal_rotational_derivatives(self):
9147 r"""get_internal_rotational_derivatives(NonRigidMember self) -> Vector4D"""
9148 return _IMP_core.NonRigidMember_get_internal_rotational_derivatives(self)
9150 def add_attribute(self, *args):
9152 add_attribute(NonRigidMember self, FloatKey k, IMP::Float v, bool opt)
9153 add_attribute(NonRigidMember self, FloatKey a0, IMP::Float a1)
9154 add_attribute(NonRigidMember self, IntKey a0, IMP::Int a1)
9155 add_attribute(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
9156 add_attribute(NonRigidMember self, IntsKey a0, IMP::Ints a1)
9157 add_attribute(NonRigidMember self, StringKey a0, IMP::String a1)
9158 add_attribute(NonRigidMember self, ParticleIndexKey a0, Particle a1)
9159 add_attribute(NonRigidMember self, ObjectKey a0, Object a1)
9160 add_attribute(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
9161 add_attribute(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
9162 add_attribute(NonRigidMember self, SparseStringKey a0, IMP::String a1)
9163 add_attribute(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
9165 return _IMP_core.NonRigidMember_add_attribute(self, *args)
9167 def get_value(self, *args):
9169 get_value(NonRigidMember self, FloatKey a0) -> IMP::Float
9170 get_value(NonRigidMember self, IntKey a0) -> IMP::Int
9171 get_value(NonRigidMember self, FloatsKey a0) -> IMP::Floats
9172 get_value(NonRigidMember self, IntsKey a0) -> IMP::Ints
9173 get_value(NonRigidMember self, StringKey a0) -> IMP::String
9174 get_value(NonRigidMember self, ParticleIndexKey a0) -> Particle
9175 get_value(NonRigidMember self, ObjectKey a0) -> Object
9176 get_value(NonRigidMember self, SparseFloatKey a0) -> IMP::Float
9177 get_value(NonRigidMember self, SparseIntKey a0) -> IMP::Int
9178 get_value(NonRigidMember self, SparseStringKey a0) -> IMP::String
9179 get_value(NonRigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
9181 return _IMP_core.NonRigidMember_get_value(self, *args)
9183 def set_value(self, *args):
9185 set_value(NonRigidMember self, FloatKey a0, IMP::Float a1)
9186 set_value(NonRigidMember self, IntKey a0, IMP::Int a1)
9187 set_value(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
9188 set_value(NonRigidMember self, IntsKey a0, IMP::Ints a1)
9189 set_value(NonRigidMember self, StringKey a0, IMP::String a1)
9190 set_value(NonRigidMember self, ParticleIndexKey a0, Particle a1)
9191 set_value(NonRigidMember self, ObjectKey a0, Object a1)
9192 set_value(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
9193 set_value(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
9194 set_value(NonRigidMember self, SparseStringKey a0, IMP::String a1)
9195 set_value(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
9197 return _IMP_core.NonRigidMember_set_value(self, *args)
9199 def remove_attribute(self, *args):
9201 remove_attribute(NonRigidMember self, FloatKey a0)
9202 remove_attribute(NonRigidMember self, IntKey a0)
9203 remove_attribute(NonRigidMember self, FloatsKey a0)
9204 remove_attribute(NonRigidMember self, IntsKey a0)
9205 remove_attribute(NonRigidMember self, StringKey a0)
9206 remove_attribute(NonRigidMember self, ParticleIndexKey a0)
9207 remove_attribute(NonRigidMember self, ObjectKey a0)
9208 remove_attribute(NonRigidMember self, SparseFloatKey a0)
9209 remove_attribute(NonRigidMember self, SparseIntKey a0)
9210 remove_attribute(NonRigidMember self, SparseStringKey a0)
9211 remove_attribute(NonRigidMember self, SparseParticleIndexKey a0)
9213 return _IMP_core.NonRigidMember_remove_attribute(self, *args)
9215 def has_attribute(self, *args):
9217 has_attribute(NonRigidMember self, FloatKey a0) -> bool
9218 has_attribute(NonRigidMember self, IntKey a0) -> bool
9219 has_attribute(NonRigidMember self, FloatsKey a0) -> bool
9220 has_attribute(NonRigidMember self, IntsKey a0) -> bool
9221 has_attribute(NonRigidMember self, StringKey a0) -> bool
9222 has_attribute(NonRigidMember self, ParticleIndexKey a0) -> bool
9223 has_attribute(NonRigidMember self, ObjectKey a0) -> bool
9224 has_attribute(NonRigidMember self, SparseFloatKey a0) -> bool
9225 has_attribute(NonRigidMember self, SparseIntKey a0) -> bool
9226 has_attribute(NonRigidMember self, SparseStringKey a0) -> bool
9227 has_attribute(NonRigidMember self, SparseParticleIndexKey a0) -> bool
9229 return _IMP_core.NonRigidMember_has_attribute(self, *args)
9231 def get_derivative(self, a0):
9232 r"""get_derivative(NonRigidMember self, FloatKey a0) -> double"""
9233 return _IMP_core.NonRigidMember_get_derivative(self, a0)
9236 r"""get_name(NonRigidMember self) -> std::string"""
9237 return _IMP_core.NonRigidMember_get_name(self)
9239 def clear_caches(self):
9240 r"""clear_caches(NonRigidMember self)"""
9241 return _IMP_core.NonRigidMember_clear_caches(self)
9243 def set_name(self, a0):
9244 r"""set_name(NonRigidMember self, std::string a0)"""
9245 return _IMP_core.NonRigidMember_set_name(self, a0)
9248 r"""set_check_level(NonRigidMember self, IMP::CheckLevel a0)"""
9249 return _IMP_core.NonRigidMember_set_check_level(self, a0)
9251 def add_to_derivative(self, a0, a1, a2):
9252 r"""add_to_derivative(NonRigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9253 return _IMP_core.NonRigidMember_add_to_derivative(self, a0, a1, a2)
9255 def set_is_optimized(self, a0, a1):
9256 r"""set_is_optimized(NonRigidMember self, FloatKey a0, bool a1)"""
9257 return _IMP_core.NonRigidMember_set_is_optimized(self, a0, a1)
9259 def get_is_optimized(self, a0):
9260 r"""get_is_optimized(NonRigidMember self, FloatKey a0) -> bool"""
9261 return _IMP_core.NonRigidMember_get_is_optimized(self, a0)
9264 r"""get_check_level(NonRigidMember self) -> IMP::CheckLevel"""
9265 return _IMP_core.NonRigidMember_get_check_level(self)
9267 def __eq__(self, *args):
9269 __eq__(NonRigidMember self, NonRigidMember o) -> bool
9270 __eq__(NonRigidMember self, Particle d) -> bool
9272 return _IMP_core.NonRigidMember___eq__(self, *args)
9274 def __ne__(self, *args):
9276 __ne__(NonRigidMember self, NonRigidMember o) -> bool
9277 __ne__(NonRigidMember self, Particle d) -> bool
9279 return _IMP_core.NonRigidMember___ne__(self, *args)
9281 def __le__(self, *args):
9283 __le__(NonRigidMember self, NonRigidMember o) -> bool
9284 __le__(NonRigidMember self, Particle d) -> bool
9286 return _IMP_core.NonRigidMember___le__(self, *args)
9288 def __lt__(self, *args):
9290 __lt__(NonRigidMember self, NonRigidMember o) -> bool
9291 __lt__(NonRigidMember self, Particle d) -> bool
9293 return _IMP_core.NonRigidMember___lt__(self, *args)
9295 def __ge__(self, *args):
9297 __ge__(NonRigidMember self, NonRigidMember o) -> bool
9298 __ge__(NonRigidMember self, Particle d) -> bool
9300 return _IMP_core.NonRigidMember___ge__(self, *args)
9302 def __gt__(self, *args):
9304 __gt__(NonRigidMember self, NonRigidMember o) -> bool
9305 __gt__(NonRigidMember self, Particle d) -> bool
9307 return _IMP_core.NonRigidMember___gt__(self, *args)
9310 r"""__hash__(NonRigidMember self) -> std::size_t"""
9311 return _IMP_core.NonRigidMember___hash__(self)
9314 r"""__str__(NonRigidMember self) -> std::string"""
9315 return _IMP_core.NonRigidMember___str__(self)
9318 r"""__repr__(NonRigidMember self) -> std::string"""
9319 return _IMP_core.NonRigidMember___repr__(self)
9321 def _get_as_binary(self):
9322 r"""_get_as_binary(NonRigidMember self) -> PyObject *"""
9323 return _IMP_core.NonRigidMember__get_as_binary(self)
9325 def _set_from_binary(self, p):
9326 r"""_set_from_binary(NonRigidMember self, PyObject * p)"""
9327 return _IMP_core.NonRigidMember__set_from_binary(self, p)
9329 def __getstate__(self):
9330 p = self._get_as_binary()
9331 if len(self.__dict__) > 1:
9332 d = self.__dict__.copy()
9337 def __setstate__(self, p):
9338 if not hasattr(self,
'this'):
9340 if isinstance(p, tuple):
9342 self.__dict__.update(d)
9343 return self._set_from_binary(p)
9347 _IMP_core.NonRigidMember_swigregister(NonRigidMember)
9349 r"""Proxy of C++ IMP::core::RigidMembersRefiner class."""
9351 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9353 def __init__(self, *args):
9354 r"""__init__(RigidMembersRefiner self, std::string name="RigidMembersRefiner%d") -> RigidMembersRefiner"""
9355 _IMP_core.RigidMembersRefiner_swiginit(self, _IMP_core.new_RigidMembersRefiner(*args))
9357 def do_get_inputs(self, m, pis):
9358 r"""do_get_inputs(RigidMembersRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9359 return _IMP_core.RigidMembersRefiner_do_get_inputs(self, m, pis)
9361 def get_version_info(self):
9362 r"""get_version_info(RigidMembersRefiner self) -> VersionInfo"""
9363 return _IMP_core.RigidMembersRefiner_get_version_info(self)
9364 __swig_destroy__ = _IMP_core.delete_RigidMembersRefiner
9367 r"""__str__(RigidMembersRefiner self) -> std::string"""
9368 return _IMP_core.RigidMembersRefiner___str__(self)
9371 r"""__repr__(RigidMembersRefiner self) -> std::string"""
9372 return _IMP_core.RigidMembersRefiner___repr__(self)
9376 return _object_cast_to_RigidMembersRefiner(o)
9380 _IMP_core.RigidMembersRefiner_swigregister(RigidMembersRefiner)
9382 def get_rigid_members_refiner():
9383 r"""get_rigid_members_refiner() -> RigidMembersRefiner"""
9384 return _IMP_core.get_rigid_members_refiner()
9388 transform(XYZ a, Transformation3D tr)
9389 transform(RigidBody a, Transformation3D tr)
9391 return _IMP_core.transform(*args)
9395 get_initial_reference_frame(Model m, IMP::ParticleIndexes const & pis) -> ReferenceFrame3D
9396 get_initial_reference_frame(IMP::ParticlesTemp const & ps) -> ReferenceFrame3D
9398 return _IMP_core.get_initial_reference_frame(*args)
9401 r"""create_rigid_bodies(Model m, unsigned int n, bool no_members=False) -> IMP::ParticlesTemp"""
9402 return _IMP_core.create_rigid_bodies(m, n, no_members)
9405 r"""show_rigid_body_hierarchy(RigidBody rb, TextOutput out=IMP::TextOutput(std::cout))"""
9406 return _IMP_core.show_rigid_body_hierarchy(*args)
9409 r"""get_root_rigid_body(RigidMember m) -> ParticleIndex"""
9410 return _IMP_core.get_root_rigid_body(m)
9412 r"""Proxy of C++ IMP::core::internal::_UpdateRigidBodyMembers class."""
9414 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9416 def __init__(self, *args):
9417 r"""__init__(_UpdateRigidBodyMembers self, std::string name="UpdateRigidBodyMembers%1%") -> _UpdateRigidBodyMembers"""
9418 _IMP_core._UpdateRigidBodyMembers_swiginit(self, _IMP_core.new__UpdateRigidBodyMembers(*args))
9420 def do_get_inputs(self, m, pis):
9421 r"""do_get_inputs(_UpdateRigidBodyMembers self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9422 return _IMP_core._UpdateRigidBodyMembers_do_get_inputs(self, m, pis)
9424 def do_get_outputs(self, m, pis):
9425 r"""do_get_outputs(_UpdateRigidBodyMembers self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9426 return _IMP_core._UpdateRigidBodyMembers_do_get_outputs(self, m, pis)
9428 def get_version_info(self):
9429 r"""get_version_info(_UpdateRigidBodyMembers self) -> VersionInfo"""
9430 return _IMP_core._UpdateRigidBodyMembers_get_version_info(self)
9431 __swig_destroy__ = _IMP_core.delete__UpdateRigidBodyMembers
9434 r"""__str__(_UpdateRigidBodyMembers self) -> std::string"""
9435 return _IMP_core._UpdateRigidBodyMembers___str__(self)
9438 r"""__repr__(_UpdateRigidBodyMembers self) -> std::string"""
9439 return _IMP_core._UpdateRigidBodyMembers___repr__(self)
9443 return _object_cast_to__UpdateRigidBodyMembers(o)
9447 _IMP_core._UpdateRigidBodyMembers_swigregister(_UpdateRigidBodyMembers)
9449 r"""Proxy of C++ IMP::core::internal::_AccumulateRigidBodyDerivatives class."""
9451 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9453 def __init__(self, *args):
9454 r"""__init__(_AccumulateRigidBodyDerivatives self, std::string name="AccumulateRigidBodyDerivatives%1%") -> _AccumulateRigidBodyDerivatives"""
9455 _IMP_core._AccumulateRigidBodyDerivatives_swiginit(self, _IMP_core.new__AccumulateRigidBodyDerivatives(*args))
9457 def do_get_inputs(self, m, pis):
9458 r"""do_get_inputs(_AccumulateRigidBodyDerivatives self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9459 return _IMP_core._AccumulateRigidBodyDerivatives_do_get_inputs(self, m, pis)
9461 def do_get_outputs(self, m, pis):
9462 r"""do_get_outputs(_AccumulateRigidBodyDerivatives self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9463 return _IMP_core._AccumulateRigidBodyDerivatives_do_get_outputs(self, m, pis)
9465 def get_version_info(self):
9466 r"""get_version_info(_AccumulateRigidBodyDerivatives self) -> VersionInfo"""
9467 return _IMP_core._AccumulateRigidBodyDerivatives_get_version_info(self)
9468 __swig_destroy__ = _IMP_core.delete__AccumulateRigidBodyDerivatives
9471 r"""__str__(_AccumulateRigidBodyDerivatives self) -> std::string"""
9472 return _IMP_core._AccumulateRigidBodyDerivatives___str__(self)
9475 r"""__repr__(_AccumulateRigidBodyDerivatives self) -> std::string"""
9476 return _IMP_core._AccumulateRigidBodyDerivatives___repr__(self)
9480 return _object_cast_to__AccumulateRigidBodyDerivatives(o)
9484 _IMP_core._AccumulateRigidBodyDerivatives_swigregister(_AccumulateRigidBodyDerivatives)
9486 r"""Proxy of C++ IMP::core::internal::_NormalizeRotation class."""
9488 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9490 def __init__(self, *args):
9491 r"""__init__(_NormalizeRotation self, std::string name="NormalizeRotation%1%") -> _NormalizeRotation"""
9492 _IMP_core._NormalizeRotation_swiginit(self, _IMP_core.new__NormalizeRotation(*args))
9494 def do_get_inputs(self, m, pis):
9495 r"""do_get_inputs(_NormalizeRotation self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9496 return _IMP_core._NormalizeRotation_do_get_inputs(self, m, pis)
9498 def do_get_outputs(self, m, pis):
9499 r"""do_get_outputs(_NormalizeRotation self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9500 return _IMP_core._NormalizeRotation_do_get_outputs(self, m, pis)
9502 def get_version_info(self):
9503 r"""get_version_info(_NormalizeRotation self) -> VersionInfo"""
9504 return _IMP_core._NormalizeRotation_get_version_info(self)
9505 __swig_destroy__ = _IMP_core.delete__NormalizeRotation
9508 r"""__str__(_NormalizeRotation self) -> std::string"""
9509 return _IMP_core._NormalizeRotation___str__(self)
9512 r"""__repr__(_NormalizeRotation self) -> std::string"""
9513 return _IMP_core._NormalizeRotation___repr__(self)
9517 return _object_cast_to__NormalizeRotation(o)
9521 _IMP_core._NormalizeRotation_swigregister(_NormalizeRotation)
9523 r"""Proxy of C++ IMP::core::internal::_RigidBodyNormalizeConstraint class."""
9525 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9527 def __init__(self, *args, **kwargs):
9528 raise AttributeError(
"No constructor defined - class is abstract")
9530 def get_before_modifier(self):
9531 r"""get_before_modifier(_RigidBodyNormalizeConstraint self) -> _NormalizeRotation"""
9532 return _IMP_core._RigidBodyNormalizeConstraint_get_before_modifier(self)
9534 def get_container(self):
9535 r"""get_container(_RigidBodyNormalizeConstraint self) -> Container"""
9536 return _IMP_core._RigidBodyNormalizeConstraint_get_container(self)
9538 def get_version_info(self):
9539 r"""get_version_info(_RigidBodyNormalizeConstraint self) -> VersionInfo"""
9540 return _IMP_core._RigidBodyNormalizeConstraint_get_version_info(self)
9541 __swig_destroy__ = _IMP_core.delete__RigidBodyNormalizeConstraint
9544 r"""__str__(_RigidBodyNormalizeConstraint self) -> std::string"""
9545 return _IMP_core._RigidBodyNormalizeConstraint___str__(self)
9548 r"""__repr__(_RigidBodyNormalizeConstraint self) -> std::string"""
9549 return _IMP_core._RigidBodyNormalizeConstraint___repr__(self)
9553 return _object_cast_to__RigidBodyNormalizeConstraint(o)
9557 from IMP.algebra._jax_util
import _quaternion_normalize
9559 normalize_rotations = jax.vmap(_quaternion_normalize, in_axes=0)
9562 allrbs = jm[
'rigid_bodies']
9563 allrbs.quaternion = normalize_rotations(allrbs.quaternion)
9565 return self._wrap_jax(apply_func, keys=[
'rigid_bodies'])
9569 _IMP_core._RigidBodyNormalizeConstraint_swigregister(_RigidBodyNormalizeConstraint)
9571 r"""Proxy of C++ IMP::core::internal::_RigidBodyPositionConstraint class."""
9573 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9575 def __init__(self, *args, **kwargs):
9576 raise AttributeError(
"No constructor defined - class is abstract")
9578 def get_version_info(self):
9579 r"""get_version_info(_RigidBodyPositionConstraint self) -> VersionInfo"""
9580 return _IMP_core._RigidBodyPositionConstraint_get_version_info(self)
9581 __swig_destroy__ = _IMP_core.delete__RigidBodyPositionConstraint
9583 def get_before_modifier(self):
9584 r"""get_before_modifier(_RigidBodyPositionConstraint self) -> _UpdateRigidBodyMembers"""
9585 return _IMP_core._RigidBodyPositionConstraint_get_before_modifier(self)
9587 def get_after_modifier(self):
9588 r"""get_after_modifier(_RigidBodyPositionConstraint self) -> _AccumulateRigidBodyDerivatives"""
9589 return _IMP_core._RigidBodyPositionConstraint_get_after_modifier(self)
9592 r"""get_index(_RigidBodyPositionConstraint self) -> ParticleIndex"""
9593 return _IMP_core._RigidBodyPositionConstraint_get_index(self)
9596 r"""__str__(_RigidBodyPositionConstraint self) -> std::string"""
9597 return _IMP_core._RigidBodyPositionConstraint___str__(self)
9600 r"""__repr__(_RigidBodyPositionConstraint self) -> std::string"""
9601 return _IMP_core._RigidBodyPositionConstraint___repr__(self)
9605 return _object_cast_to__RigidBodyPositionConstraint(o)
9612 bodies = jm[
'rigid_bodies'].bodies
9617 jm = body.update_members(jm)
9619 return self._wrap_jax(apply_func, keys=[
'rigid_bodies'])
9623 _IMP_core._RigidBodyPositionConstraint_swigregister(_RigidBodyPositionConstraint)
9625 r"""Proxy of C++ IMP::core::RigidBodyHierarchyGeometry class."""
9627 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9629 def __init__(self, rb, constituents):
9630 r"""__init__(RigidBodyHierarchyGeometry self, RigidBody rb, IMP::ParticlesTemp const & constituents) -> RigidBodyHierarchyGeometry"""
9631 _IMP_core.RigidBodyHierarchyGeometry_swiginit(self, _IMP_core.new_RigidBodyHierarchyGeometry(rb, constituents))
9633 def get_version_info(self):
9634 r"""get_version_info(RigidBodyHierarchyGeometry self) -> VersionInfo"""
9635 return _IMP_core.RigidBodyHierarchyGeometry_get_version_info(self)
9636 __swig_destroy__ = _IMP_core.delete_RigidBodyHierarchyGeometry
9639 r"""__str__(RigidBodyHierarchyGeometry self) -> std::string"""
9640 return _IMP_core.RigidBodyHierarchyGeometry___str__(self)
9643 r"""__repr__(RigidBodyHierarchyGeometry self) -> std::string"""
9644 return _IMP_core.RigidBodyHierarchyGeometry___repr__(self)
9648 return _object_cast_to_RigidBodyHierarchyGeometry(o)
9652 _IMP_core.RigidBodyHierarchyGeometry_swigregister(RigidBodyHierarchyGeometry)
9654 r"""Proxy of C++ IMP::core::RigidBodyDerivativeGeometry class."""
9656 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9658 def __init__(self, *args):
9660 __init__(RigidBodyDerivativeGeometry self, Particle p) -> RigidBodyDerivativeGeometry
9661 __init__(RigidBodyDerivativeGeometry self, RigidBody d) -> RigidBodyDerivativeGeometry
9663 _IMP_core.RigidBodyDerivativeGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativeGeometry(*args))
9665 def get_version_info(self):
9666 r"""get_version_info(RigidBodyDerivativeGeometry self) -> VersionInfo"""
9667 return _IMP_core.RigidBodyDerivativeGeometry_get_version_info(self)
9668 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativeGeometry
9671 r"""__str__(RigidBodyDerivativeGeometry self) -> std::string"""
9672 return _IMP_core.RigidBodyDerivativeGeometry___str__(self)
9675 r"""__repr__(RigidBodyDerivativeGeometry self) -> std::string"""
9676 return _IMP_core.RigidBodyDerivativeGeometry___repr__(self)
9680 return _object_cast_to_RigidBodyDerivativeGeometry(o)
9684 _IMP_core.RigidBodyDerivativeGeometry_swigregister(RigidBodyDerivativeGeometry)
9686 r"""Proxy of C++ IMP::core::RigidBodyDerivativesGeometry class."""
9688 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9690 def __init__(self, sc):
9691 r"""__init__(RigidBodyDerivativesGeometry self, SingletonContainer sc) -> RigidBodyDerivativesGeometry"""
9692 _IMP_core.RigidBodyDerivativesGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativesGeometry(sc))
9694 def get_version_info(self):
9695 r"""get_version_info(RigidBodyDerivativesGeometry self) -> VersionInfo"""
9696 return _IMP_core.RigidBodyDerivativesGeometry_get_version_info(self)
9697 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativesGeometry
9700 r"""__str__(RigidBodyDerivativesGeometry self) -> std::string"""
9701 return _IMP_core.RigidBodyDerivativesGeometry___str__(self)
9704 r"""__repr__(RigidBodyDerivativesGeometry self) -> std::string"""
9705 return _IMP_core.RigidBodyDerivativesGeometry___repr__(self)
9709 return _object_cast_to_RigidBodyDerivativesGeometry(o)
9713 _IMP_core.RigidBodyDerivativesGeometry_swigregister(RigidBodyDerivativesGeometry)
9715 r"""Proxy of C++ IMP::core::RigidBodyFrameGeometry class."""
9717 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9719 def __init__(self, *args):
9721 __init__(RigidBodyFrameGeometry self, Particle p) -> RigidBodyFrameGeometry
9722 __init__(RigidBodyFrameGeometry self, RigidBody d) -> RigidBodyFrameGeometry
9724 _IMP_core.RigidBodyFrameGeometry_swiginit(self, _IMP_core.new_RigidBodyFrameGeometry(*args))
9726 def get_version_info(self):
9727 r"""get_version_info(RigidBodyFrameGeometry self) -> VersionInfo"""
9728 return _IMP_core.RigidBodyFrameGeometry_get_version_info(self)
9729 __swig_destroy__ = _IMP_core.delete_RigidBodyFrameGeometry
9732 r"""__str__(RigidBodyFrameGeometry self) -> std::string"""
9733 return _IMP_core.RigidBodyFrameGeometry___str__(self)
9736 r"""__repr__(RigidBodyFrameGeometry self) -> std::string"""
9737 return _IMP_core.RigidBodyFrameGeometry___repr__(self)
9741 return _object_cast_to_RigidBodyFrameGeometry(o)
9745 _IMP_core.RigidBodyFrameGeometry_swigregister(RigidBodyFrameGeometry)
9747 r"""Proxy of C++ IMP::core::RigidBodyFramesGeometry class."""
9749 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9751 def __init__(self, sc):
9752 r"""__init__(RigidBodyFramesGeometry self, SingletonContainer sc) -> RigidBodyFramesGeometry"""
9753 _IMP_core.RigidBodyFramesGeometry_swiginit(self, _IMP_core.new_RigidBodyFramesGeometry(sc))
9755 def get_version_info(self):
9756 r"""get_version_info(RigidBodyFramesGeometry self) -> VersionInfo"""
9757 return _IMP_core.RigidBodyFramesGeometry_get_version_info(self)
9758 __swig_destroy__ = _IMP_core.delete_RigidBodyFramesGeometry
9761 r"""__str__(RigidBodyFramesGeometry self) -> std::string"""
9762 return _IMP_core.RigidBodyFramesGeometry___str__(self)
9765 r"""__repr__(RigidBodyFramesGeometry self) -> std::string"""
9766 return _IMP_core.RigidBodyFramesGeometry___repr__(self)
9770 return _object_cast_to_RigidBodyFramesGeometry(o)
9774 _IMP_core.RigidBodyFramesGeometry_swigregister(RigidBodyFramesGeometry)
9776 r"""Proxy of C++ IMP::core::RigidBodyTorque class."""
9778 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9780 def __init__(self, p):
9781 r"""__init__(RigidBodyTorque self, Particle p) -> RigidBodyTorque"""
9782 _IMP_core.RigidBodyTorque_swiginit(self, _IMP_core.new_RigidBodyTorque(p))
9785 r"""__str__(RigidBodyTorque self) -> std::string"""
9786 return _IMP_core.RigidBodyTorque___str__(self)
9789 r"""__repr__(RigidBodyTorque self) -> std::string"""
9790 return _IMP_core.RigidBodyTorque___repr__(self)
9794 return _object_cast_to_RigidBodyTorque(o)
9796 __swig_destroy__ = _IMP_core.delete_RigidBodyTorque
9799 _IMP_core.RigidBodyTorque_swigregister(RigidBodyTorque)
9800 class NearestNeighborsClosePairsFinder(ClosePairsFinder):
9801 r"""Proxy of C++ IMP::core::NearestNeighborsClosePairsFinder class."""
9803 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9806 r"""__init__(NearestNeighborsClosePairsFinder self) -> NearestNeighborsClosePairsFinder"""
9807 _IMP_core.NearestNeighborsClosePairsFinder_swiginit(self, _IMP_core.new_NearestNeighborsClosePairsFinder())
9809 def get_close_pairs(self, *args):
9811 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9812 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9813 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
9814 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
9816 return _IMP_core.NearestNeighborsClosePairsFinder_get_close_pairs(self, *args)
9818 def do_get_inputs(self, m, pis):
9819 r"""do_get_inputs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9820 return _IMP_core.NearestNeighborsClosePairsFinder_do_get_inputs(self, m, pis)
9822 def get_version_info(self):
9823 r"""get_version_info(NearestNeighborsClosePairsFinder self) -> VersionInfo"""
9824 return _IMP_core.NearestNeighborsClosePairsFinder_get_version_info(self)
9825 __swig_destroy__ = _IMP_core.delete_NearestNeighborsClosePairsFinder
9828 r"""__str__(NearestNeighborsClosePairsFinder self) -> std::string"""
9829 return _IMP_core.NearestNeighborsClosePairsFinder___str__(self)
9832 r"""__repr__(NearestNeighborsClosePairsFinder self) -> std::string"""
9833 return _IMP_core.NearestNeighborsClosePairsFinder___repr__(self)
9837 return _object_cast_to_NearestNeighborsClosePairsFinder(o)
9841 _IMP_core.NearestNeighborsClosePairsFinder_swigregister(NearestNeighborsClosePairsFinder)
9843 r"""Proxy of C++ IMP::core::RestraintsScoringFunction class."""
9845 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9847 def __init__(self, *args):
9849 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, double weight=1.0, double max=NO_MAX, std::string name="RestraintsScoringFunction%1%") -> RestraintsScoringFunction
9850 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, std::string name) -> RestraintsScoringFunction
9851 __init__(RestraintsScoringFunction self) -> RestraintsScoringFunction
9853 _IMP_core.RestraintsScoringFunction_swiginit(self, _IMP_core.new_RestraintsScoringFunction(*args))
9855 def do_add_score_and_derivatives(self, sa, ss):
9856 r"""do_add_score_and_derivatives(RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
9857 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives(self, sa, ss)
9859 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
9860 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)"""
9861 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
9863 def do_get_inputs(self):
9864 r"""do_get_inputs(RestraintsScoringFunction self) -> IMP::ModelObjectsTemp"""
9865 return _IMP_core.RestraintsScoringFunction_do_get_inputs(self)
9867 def get_restraints(self):
9868 r"""get_restraints(RestraintsScoringFunction self) -> IMP::Restraints"""
9869 return _IMP_core.RestraintsScoringFunction_get_restraints(self)
9871 def set_restraints(self, d):
9872 r"""set_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9873 return _IMP_core.RestraintsScoringFunction_set_restraints(self, d)
9875 def get_number_of_restraints(self):
9876 r"""get_number_of_restraints(RestraintsScoringFunction self) -> unsigned int"""
9877 return _IMP_core.RestraintsScoringFunction_get_number_of_restraints(self)
9879 def clear_restraints(self):
9880 r"""clear_restraints(RestraintsScoringFunction self)"""
9881 return _IMP_core.RestraintsScoringFunction_clear_restraints(self)
9883 def get_restraint(self, i):
9884 r"""get_restraint(RestraintsScoringFunction self, unsigned int i) -> Restraint"""
9885 return _IMP_core.RestraintsScoringFunction_get_restraint(self, i)
9887 def erase_restraint(self, i):
9888 r"""erase_restraint(RestraintsScoringFunction self, unsigned int i)"""
9889 return _IMP_core.RestraintsScoringFunction_erase_restraint(self, i)
9892 r"""add_restraint(RestraintsScoringFunction self, Restraint d) -> unsigned int"""
9893 return _IMP_core.RestraintsScoringFunction_add_restraint(self, d)
9896 r"""add_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9897 return _IMP_core.RestraintsScoringFunction_add_restraints(self, d)
9899 def _python_index_restraint(self, r, start, stop):
9900 r"""_python_index_restraint(RestraintsScoringFunction self, Restraint r, unsigned int start, unsigned int stop) -> unsigned int"""
9901 return _IMP_core.RestraintsScoringFunction__python_index_restraint(self, r, start, stop)
9902 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)
9903 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
9904 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
9905 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##Restraints")
9907 def get_version_info(self):
9908 r"""get_version_info(RestraintsScoringFunction self) -> VersionInfo"""
9909 return _IMP_core.RestraintsScoringFunction_get_version_info(self)
9910 __swig_destroy__ = _IMP_core.delete_RestraintsScoringFunction
9913 r"""__str__(RestraintsScoringFunction self) -> std::string"""
9914 return _IMP_core.RestraintsScoringFunction___str__(self)
9917 r"""__repr__(RestraintsScoringFunction self) -> std::string"""
9918 return _IMP_core.RestraintsScoringFunction___repr__(self)
9922 return _object_cast_to_RestraintsScoringFunction(o)
9925 def _get_as_binary(self):
9926 r"""_get_as_binary(RestraintsScoringFunction self) -> PyObject *"""
9927 return _IMP_core.RestraintsScoringFunction__get_as_binary(self)
9929 def _set_from_binary(self, p):
9930 r"""_set_from_binary(RestraintsScoringFunction self, PyObject * p)"""
9931 return _IMP_core.RestraintsScoringFunction__set_from_binary(self, p)
9933 def __getstate__(self):
9934 p = self._get_as_binary()
9935 if len(self.__dict__) > 1:
9936 d = self.__dict__.copy()
9941 def __setstate__(self, p):
9942 if not hasattr(self,
'this'):
9944 if isinstance(p, tuple):
9946 self.__dict__.update(d)
9947 return self._set_from_binary(p)
9951 import IMP._jax_util
9952 jis = [r.get_derived_object()._get_jax()
for r
in self.restraints]
9953 funcs = [j.score_func
for j
in jis]
9954 keys = frozenset(x
for j
in jis
for x
in j._keys)
9956 return sum(f(jm)
for f
in funcs)
9957 return IMP._jax_util.JAXRestraintInfo(
9958 m=self.get_model(), score_func=jax_sf, weight=1.0, keys=keys)
9962 _IMP_core.RestraintsScoringFunction_swigregister(RestraintsScoringFunction)
9963 class RigidClosePairsFinder(ClosePairsFinder):
9964 r"""Proxy of C++ IMP::core::RigidClosePairsFinder class."""
9966 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9968 def __init__(self, cpf=None):
9969 r"""__init__(RigidClosePairsFinder self, ClosePairsFinder cpf=None) -> RigidClosePairsFinder"""
9970 _IMP_core.RigidClosePairsFinder_swiginit(self, _IMP_core.new_RigidClosePairsFinder(cpf))
9972 def do_get_inputs(self, m, pis):
9973 r"""do_get_inputs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9974 return _IMP_core.RigidClosePairsFinder_do_get_inputs(self, m, pis)
9976 def get_close_pairs(self, *args):
9978 get_close_pairs(RigidClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b, IMP::ParticleIndexes const & pa, IMP::ParticleIndexes const & pb) -> IMP::ParticleIndexPairs
9979 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9980 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9981 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
9982 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
9984 return _IMP_core.RigidClosePairsFinder_get_close_pairs(self, *args)
9986 def get_version_info(self):
9987 r"""get_version_info(RigidClosePairsFinder self) -> VersionInfo"""
9988 return _IMP_core.RigidClosePairsFinder_get_version_info(self)
9989 __swig_destroy__ = _IMP_core.delete_RigidClosePairsFinder
9992 r"""__str__(RigidClosePairsFinder self) -> std::string"""
9993 return _IMP_core.RigidClosePairsFinder___str__(self)
9996 r"""__repr__(RigidClosePairsFinder self) -> std::string"""
9997 return _IMP_core.RigidClosePairsFinder___repr__(self)
10001 return _object_cast_to_RigidClosePairsFinder(o)
10004 def _get_as_binary(self):
10005 r"""_get_as_binary(RigidClosePairsFinder self) -> PyObject *"""
10006 return _IMP_core.RigidClosePairsFinder__get_as_binary(self)
10008 def _set_from_binary(self, p):
10009 r"""_set_from_binary(RigidClosePairsFinder self, PyObject * p)"""
10010 return _IMP_core.RigidClosePairsFinder__set_from_binary(self, p)
10012 def __getstate__(self):
10013 p = self._get_as_binary()
10014 if len(self.__dict__) > 1:
10015 d = self.__dict__.copy()
10020 def __setstate__(self, p):
10021 if not hasattr(self,
'this'):
10023 if isinstance(p, tuple):
10025 self.__dict__.update(d)
10026 return self._set_from_binary(p)
10030 _IMP_core.RigidClosePairsFinder_swigregister(RigidClosePairsFinder)
10032 r"""Proxy of C++ IMP::core::SphereDistancePairScore class."""
10034 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10035 __repr__ = _swig_repr
10037 def __init__(self, *args):
10039 SphereDistancePairScore(UnaryFunction uf, std::string name="SphereDistancePairScore%1%") -> _SphereDistancePairScore
10040 __init__(_SphereDistancePairScore self) -> _SphereDistancePairScore
10042 _IMP_core._SphereDistancePairScore_swiginit(self, _IMP_core.new__SphereDistancePairScore(*args))
10044 def do_get_inputs(self, m, pis):
10045 r"""do_get_inputs(_SphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10046 return _IMP_core._SphereDistancePairScore_do_get_inputs(self, m, pis)
10048 def get_score_functor(self, *args):
10050 get_score_functor(_SphereDistancePairScore self) -> _SphereDistanceUF
10051 get_score_functor(_SphereDistancePairScore self) -> _SphereDistanceUF
10053 return _IMP_core._SphereDistancePairScore_get_score_functor(self, *args)
10055 def get_version_info(self):
10056 r"""get_version_info(_SphereDistancePairScore self) -> VersionInfo"""
10057 return _IMP_core._SphereDistancePairScore_get_version_info(self)
10058 __swig_destroy__ = _IMP_core.delete__SphereDistancePairScore
10062 return _object_cast_to__SphereDistancePairScore(o)
10065 def _get_as_binary(self):
10066 r"""_get_as_binary(_SphereDistancePairScore self) -> PyObject *"""
10067 return _IMP_core._SphereDistancePairScore__get_as_binary(self)
10069 def _set_from_binary(self, p):
10070 r"""_set_from_binary(_SphereDistancePairScore self, PyObject * p)"""
10071 return _IMP_core._SphereDistancePairScore__set_from_binary(self, p)
10073 def __getstate__(self):
10074 p = self._get_as_binary()
10075 if len(self.__dict__) > 1:
10076 d = self.__dict__.copy()
10081 def __setstate__(self, p):
10082 if not hasattr(self,
'this'):
10084 if isinstance(p, tuple):
10086 self.__dict__.update(d)
10087 return self._set_from_binary(p)
10090 def _get_jax(self, m, indexes):
10091 import jax.numpy
as jnp
10092 def jax_score(jm, uf):
10093 xyzs = jm[
'xyz'][indexes]
10094 rs = jm[
'r'][indexes]
10095 diff = xyzs[:,0] - xyzs[:,1]
10096 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
10098 sfnc = self.get_score_functor()
10099 uf = sfnc.get_unary_function().get_derived_object()
10100 f = functools.partial(jax_score, uf=uf._get_jax())
10101 return self._wrap_jax(m, f)
10105 _IMP_core._SphereDistancePairScore_swigregister(_SphereDistancePairScore)
10106 class HarmonicUpperBoundSphereDistancePairScore(
IMP.PairScore):
10107 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDistancePairScore class."""
10109 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10111 def __init__(self, *args):
10113 __init__(HarmonicUpperBoundSphereDistancePairScore self, double x0, double k, std::string name="HarmonicUpperBoundSphereDistancePairScore%1%") -> HarmonicUpperBoundSphereDistancePairScore
10114 __init__(HarmonicUpperBoundSphereDistancePairScore self) -> HarmonicUpperBoundSphereDistancePairScore
10116 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDistancePairScore(*args))
10118 def do_get_inputs(self, m, pis):
10119 r"""do_get_inputs(HarmonicUpperBoundSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10120 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_do_get_inputs(self, m, pis)
10122 def get_score_functor(self, *args):
10124 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore
10125 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore const &
10127 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_score_functor(self, *args)
10130 r"""get_x0(HarmonicUpperBoundSphereDistancePairScore self) -> double"""
10131 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_x0(self)
10134 r"""get_k(HarmonicUpperBoundSphereDistancePairScore self) -> double"""
10135 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_k(self)
10137 def get_version_info(self):
10138 r"""get_version_info(HarmonicUpperBoundSphereDistancePairScore self) -> VersionInfo"""
10139 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_version_info(self)
10140 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDistancePairScore
10143 r"""__str__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
10144 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___str__(self)
10146 def __repr__(self):
10147 r"""__repr__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
10148 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___repr__(self)
10152 return _object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o)
10155 def _get_as_binary(self):
10156 r"""_get_as_binary(HarmonicUpperBoundSphereDistancePairScore self) -> PyObject *"""
10157 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__get_as_binary(self)
10159 def _set_from_binary(self, p):
10160 r"""_set_from_binary(HarmonicUpperBoundSphereDistancePairScore self, PyObject * p)"""
10161 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__set_from_binary(self, p)
10163 def __getstate__(self):
10164 p = self._get_as_binary()
10165 if len(self.__dict__) > 1:
10166 d = self.__dict__.copy()
10171 def __setstate__(self, p):
10172 if not hasattr(self,
'this'):
10174 if isinstance(p, tuple):
10176 self.__dict__.update(d)
10177 return self._set_from_binary(p)
10180 def _get_jax(self, m, indexes):
10181 import jax.numpy
as jnp
10183 def jax_score(jm, d, k):
10184 xyzs = jm[
'xyz'][indexes]
10185 rs = jm[
'r'][indexes]
10186 diff = xyzs[:,0] - xyzs[:,1]
10187 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
10188 return 0.5 * k * jax.lax.min(d - drs, 0.0) ** 2
10189 f = functools.partial(jax_score, d=self.get_x0(), k=self.get_k())
10190 return self._wrap_jax(m, f)
10194 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swigregister(HarmonicUpperBoundSphereDistancePairScore)
10195 class HarmonicUpperBoundSphereDiameterPairScore(
IMP.PairScore):
10196 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDiameterPairScore class."""
10198 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10200 def __init__(self, d0, k):
10201 r"""__init__(HarmonicUpperBoundSphereDiameterPairScore self, double d0, double k) -> HarmonicUpperBoundSphereDiameterPairScore"""
10202 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDiameterPairScore(d0, k))
10204 def get_rest_length(self):
10205 r"""get_rest_length(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
10206 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_rest_length(self)
10208 def get_stiffness(self):
10209 r"""get_stiffness(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
10210 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_stiffness(self)
10212 def do_get_inputs(self, m, pis):
10213 r"""do_get_inputs(HarmonicUpperBoundSphereDiameterPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10214 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_do_get_inputs(self, m, pis)
10216 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10217 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"""
10218 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10220 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10221 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"""
10222 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10224 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10225 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"""
10226 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10228 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10229 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"""
10230 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10232 def get_version_info(self):
10233 r"""get_version_info(HarmonicUpperBoundSphereDiameterPairScore self) -> VersionInfo"""
10234 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_version_info(self)
10235 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDiameterPairScore
10238 r"""__str__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
10239 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___str__(self)
10241 def __repr__(self):
10242 r"""__repr__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
10243 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___repr__(self)
10247 return _object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o)
10251 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swigregister(HarmonicUpperBoundSphereDiameterPairScore)
10253 r"""Proxy of C++ IMP::core::HarmonicSphereDistancePairScore class."""
10255 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10257 def __init__(self, *args):
10259 __init__(HarmonicSphereDistancePairScore self, double x0, double k, std::string name="HarmonicSphereDistancePairScore%1%") -> HarmonicSphereDistancePairScore
10260 __init__(HarmonicSphereDistancePairScore self) -> HarmonicSphereDistancePairScore
10262 _IMP_core.HarmonicSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSphereDistancePairScore(*args))
10264 def do_get_inputs(self, m, pis):
10265 r"""do_get_inputs(HarmonicSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10266 return _IMP_core.HarmonicSphereDistancePairScore_do_get_inputs(self, m, pis)
10268 def get_score_functor(self, *args):
10270 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore
10271 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore const &
10273 return _IMP_core.HarmonicSphereDistancePairScore_get_score_functor(self, *args)
10276 r"""get_x0(HarmonicSphereDistancePairScore self) -> double"""
10277 return _IMP_core.HarmonicSphereDistancePairScore_get_x0(self)
10280 r"""get_k(HarmonicSphereDistancePairScore self) -> double"""
10281 return _IMP_core.HarmonicSphereDistancePairScore_get_k(self)
10283 def get_version_info(self):
10284 r"""get_version_info(HarmonicSphereDistancePairScore self) -> VersionInfo"""
10285 return _IMP_core.HarmonicSphereDistancePairScore_get_version_info(self)
10286 __swig_destroy__ = _IMP_core.delete_HarmonicSphereDistancePairScore
10289 r"""__str__(HarmonicSphereDistancePairScore self) -> std::string"""
10290 return _IMP_core.HarmonicSphereDistancePairScore___str__(self)
10292 def __repr__(self):
10293 r"""__repr__(HarmonicSphereDistancePairScore self) -> std::string"""
10294 return _IMP_core.HarmonicSphereDistancePairScore___repr__(self)
10298 return _object_cast_to_HarmonicSphereDistancePairScore(o)
10301 def _get_as_binary(self):
10302 r"""_get_as_binary(HarmonicSphereDistancePairScore self) -> PyObject *"""
10303 return _IMP_core.HarmonicSphereDistancePairScore__get_as_binary(self)
10305 def _set_from_binary(self, p):
10306 r"""_set_from_binary(HarmonicSphereDistancePairScore self, PyObject * p)"""
10307 return _IMP_core.HarmonicSphereDistancePairScore__set_from_binary(self, p)
10309 def __getstate__(self):
10310 p = self._get_as_binary()
10311 if len(self.__dict__) > 1:
10312 d = self.__dict__.copy()
10317 def __setstate__(self, p):
10318 if not hasattr(self,
'this'):
10320 if isinstance(p, tuple):
10322 self.__dict__.update(d)
10323 return self._set_from_binary(p)
10326 def _get_jax(self, m, indexes):
10327 import jax.numpy
as jnp
10328 def jax_score(jm, d, k):
10329 xyzs = jm[
'xyz'][indexes]
10330 rs = jm[
'r'][indexes]
10331 diff = xyzs[:,0] - xyzs[:,1]
10332 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
10333 return 0.5 * k * (d - drs)**2
10334 f = functools.partial(jax_score, d=self.get_x0(), k=self.get_k())
10335 return self._wrap_jax(m, f)
10339 _IMP_core.HarmonicSphereDistancePairScore_swigregister(HarmonicSphereDistancePairScore)
10341 r"""Proxy of C++ IMP::core::NormalizedSphereDistancePairScore class."""
10343 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10345 def __init__(self, *args):
10346 r"""__init__(NormalizedSphereDistancePairScore self, UnaryFunction f, FloatKey radius=IMP::FloatKey("radius")) -> NormalizedSphereDistancePairScore"""
10347 _IMP_core.NormalizedSphereDistancePairScore_swiginit(self, _IMP_core.new_NormalizedSphereDistancePairScore(*args))
10349 def do_get_inputs(self, m, pis):
10350 r"""do_get_inputs(NormalizedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10351 return _IMP_core.NormalizedSphereDistancePairScore_do_get_inputs(self, m, pis)
10353 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10354 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"""
10355 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10357 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10358 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"""
10359 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10361 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10362 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"""
10363 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10365 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10366 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"""
10367 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10369 def get_version_info(self):
10370 r"""get_version_info(NormalizedSphereDistancePairScore self) -> VersionInfo"""
10371 return _IMP_core.NormalizedSphereDistancePairScore_get_version_info(self)
10372 __swig_destroy__ = _IMP_core.delete_NormalizedSphereDistancePairScore
10375 r"""__str__(NormalizedSphereDistancePairScore self) -> std::string"""
10376 return _IMP_core.NormalizedSphereDistancePairScore___str__(self)
10378 def __repr__(self):
10379 r"""__repr__(NormalizedSphereDistancePairScore self) -> std::string"""
10380 return _IMP_core.NormalizedSphereDistancePairScore___repr__(self)
10384 return _object_cast_to_NormalizedSphereDistancePairScore(o)
10388 _IMP_core.NormalizedSphereDistancePairScore_swigregister(NormalizedSphereDistancePairScore)
10390 r"""Proxy of C++ IMP::core::WeightedSphereDistancePairScore class."""
10392 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10394 def __init__(self, *args):
10395 r"""__init__(WeightedSphereDistancePairScore self, UnaryFunction f, FloatKey weight, FloatKey radius=IMP::FloatKey("radius")) -> WeightedSphereDistancePairScore"""
10396 _IMP_core.WeightedSphereDistancePairScore_swiginit(self, _IMP_core.new_WeightedSphereDistancePairScore(*args))
10398 def do_get_inputs(self, m, pis):
10399 r"""do_get_inputs(WeightedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10400 return _IMP_core.WeightedSphereDistancePairScore_do_get_inputs(self, m, pis)
10402 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10403 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"""
10404 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10406 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10407 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"""
10408 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10410 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10411 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"""
10412 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10414 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10415 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"""
10416 return _IMP_core.WeightedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10418 def get_version_info(self):
10419 r"""get_version_info(WeightedSphereDistancePairScore self) -> VersionInfo"""
10420 return _IMP_core.WeightedSphereDistancePairScore_get_version_info(self)
10421 __swig_destroy__ = _IMP_core.delete_WeightedSphereDistancePairScore
10424 r"""__str__(WeightedSphereDistancePairScore self) -> std::string"""
10425 return _IMP_core.WeightedSphereDistancePairScore___str__(self)
10427 def __repr__(self):
10428 r"""__repr__(WeightedSphereDistancePairScore self) -> std::string"""
10429 return _IMP_core.WeightedSphereDistancePairScore___repr__(self)
10433 return _object_cast_to_WeightedSphereDistancePairScore(o)
10437 _IMP_core.WeightedSphereDistancePairScore_swigregister(WeightedSphereDistancePairScore)
10439 r"""Proxy of C++ IMP::core::SoftSpherePairScore class."""
10441 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10443 def __init__(self, *args):
10445 __init__(SoftSpherePairScore self, double k, std::string name="SoftSpherePairScore%1%") -> SoftSpherePairScore
10446 __init__(SoftSpherePairScore self) -> SoftSpherePairScore
10448 _IMP_core.SoftSpherePairScore_swiginit(self, _IMP_core.new_SoftSpherePairScore(*args))
10450 def do_get_inputs(self, m, pis):
10451 r"""do_get_inputs(SoftSpherePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10452 return _IMP_core.SoftSpherePairScore_do_get_inputs(self, m, pis)
10454 def get_score_functor(self, *args):
10456 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore
10457 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore const &
10459 return _IMP_core.SoftSpherePairScore_get_score_functor(self, *args)
10462 r"""get_k(SoftSpherePairScore self) -> double"""
10463 return _IMP_core.SoftSpherePairScore_get_k(self)
10465 def get_version_info(self):
10466 r"""get_version_info(SoftSpherePairScore self) -> VersionInfo"""
10467 return _IMP_core.SoftSpherePairScore_get_version_info(self)
10468 __swig_destroy__ = _IMP_core.delete_SoftSpherePairScore
10471 r"""__str__(SoftSpherePairScore self) -> std::string"""
10472 return _IMP_core.SoftSpherePairScore___str__(self)
10474 def __repr__(self):
10475 r"""__repr__(SoftSpherePairScore self) -> std::string"""
10476 return _IMP_core.SoftSpherePairScore___repr__(self)
10480 return _object_cast_to_SoftSpherePairScore(o)
10483 def _get_as_binary(self):
10484 r"""_get_as_binary(SoftSpherePairScore self) -> PyObject *"""
10485 return _IMP_core.SoftSpherePairScore__get_as_binary(self)
10487 def _set_from_binary(self, p):
10488 r"""_set_from_binary(SoftSpherePairScore self, PyObject * p)"""
10489 return _IMP_core.SoftSpherePairScore__set_from_binary(self, p)
10491 def __getstate__(self):
10492 p = self._get_as_binary()
10493 if len(self.__dict__) > 1:
10494 d = self.__dict__.copy()
10499 def __setstate__(self, p):
10500 if not hasattr(self,
'this'):
10502 if isinstance(p, tuple):
10504 self.__dict__.update(d)
10505 return self._set_from_binary(p)
10508 def _get_jax(self, m, indexes):
10509 import jax.numpy
as jnp
10511 def jax_score(jm, k):
10512 xyzs = jm[
'xyz'][indexes]
10513 rs = jm[
'r'][indexes]
10514 diff = xyzs[:,0] - xyzs[:,1]
10515 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
10516 return 0.5 * k * jax.lax.min(drs, 0.0) ** 2
10517 f = functools.partial(jax_score, k=self.get_k())
10518 return self._wrap_jax(m, f)
10522 _IMP_core.SoftSpherePairScore_swigregister(SoftSpherePairScore)
10524 r"""Proxy of C++ IMP::core::SurfaceDistancePairScore class."""
10526 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10528 def __init__(self, *args):
10529 r"""__init__(SurfaceDistancePairScore self, UnaryFunction uf, std::string name="SurfaceDistancePairScore%1%") -> SurfaceDistancePairScore"""
10530 _IMP_core.SurfaceDistancePairScore_swiginit(self, _IMP_core.new_SurfaceDistancePairScore(*args))
10532 def do_get_inputs(self, m, pis):
10533 r"""do_get_inputs(SurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10534 return _IMP_core.SurfaceDistancePairScore_do_get_inputs(self, m, pis)
10536 def get_version_info(self):
10537 r"""get_version_info(SurfaceDistancePairScore self) -> VersionInfo"""
10538 return _IMP_core.SurfaceDistancePairScore_get_version_info(self)
10539 __swig_destroy__ = _IMP_core.delete_SurfaceDistancePairScore
10542 r"""__str__(SurfaceDistancePairScore self) -> std::string"""
10543 return _IMP_core.SurfaceDistancePairScore___str__(self)
10545 def __repr__(self):
10546 r"""__repr__(SurfaceDistancePairScore self) -> std::string"""
10547 return _IMP_core.SurfaceDistancePairScore___repr__(self)
10551 return _object_cast_to_SurfaceDistancePairScore(o)
10555 _IMP_core.SurfaceDistancePairScore_swigregister(SurfaceDistancePairScore)
10557 r"""Proxy of C++ IMP::core::SurfaceHeightPairScore class."""
10559 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10561 def __init__(self, *args):
10562 r"""__init__(SurfaceHeightPairScore self, UnaryFunction uf, std::string name="SurfaceHeightPairScore%1%") -> SurfaceHeightPairScore"""
10563 _IMP_core.SurfaceHeightPairScore_swiginit(self, _IMP_core.new_SurfaceHeightPairScore(*args))
10565 def do_get_inputs(self, m, pis):
10566 r"""do_get_inputs(SurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10567 return _IMP_core.SurfaceHeightPairScore_do_get_inputs(self, m, pis)
10569 def get_version_info(self):
10570 r"""get_version_info(SurfaceHeightPairScore self) -> VersionInfo"""
10571 return _IMP_core.SurfaceHeightPairScore_get_version_info(self)
10572 __swig_destroy__ = _IMP_core.delete_SurfaceHeightPairScore
10575 r"""__str__(SurfaceHeightPairScore self) -> std::string"""
10576 return _IMP_core.SurfaceHeightPairScore___str__(self)
10578 def __repr__(self):
10579 r"""__repr__(SurfaceHeightPairScore self) -> std::string"""
10580 return _IMP_core.SurfaceHeightPairScore___repr__(self)
10584 return _object_cast_to_SurfaceHeightPairScore(o)
10588 _IMP_core.SurfaceHeightPairScore_swigregister(SurfaceHeightPairScore)
10590 r"""Proxy of C++ IMP::core::SurfaceDepthPairScore class."""
10592 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10594 def __init__(self, *args):
10595 r"""__init__(SurfaceDepthPairScore self, UnaryFunction uf, std::string name="SurfaceDepthPairScore%1%") -> SurfaceDepthPairScore"""
10596 _IMP_core.SurfaceDepthPairScore_swiginit(self, _IMP_core.new_SurfaceDepthPairScore(*args))
10598 def do_get_inputs(self, m, pis):
10599 r"""do_get_inputs(SurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10600 return _IMP_core.SurfaceDepthPairScore_do_get_inputs(self, m, pis)
10602 def get_version_info(self):
10603 r"""get_version_info(SurfaceDepthPairScore self) -> VersionInfo"""
10604 return _IMP_core.SurfaceDepthPairScore_get_version_info(self)
10605 __swig_destroy__ = _IMP_core.delete_SurfaceDepthPairScore
10608 r"""__str__(SurfaceDepthPairScore self) -> std::string"""
10609 return _IMP_core.SurfaceDepthPairScore___str__(self)
10611 def __repr__(self):
10612 r"""__repr__(SurfaceDepthPairScore self) -> std::string"""
10613 return _IMP_core.SurfaceDepthPairScore___repr__(self)
10617 return _object_cast_to_SurfaceDepthPairScore(o)
10621 _IMP_core.SurfaceDepthPairScore_swigregister(SurfaceDepthPairScore)
10623 r"""Proxy of C++ IMP::core::HarmonicSurfaceDistancePairScore class."""
10625 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10627 def __init__(self, *args):
10628 r"""__init__(HarmonicSurfaceDistancePairScore self, double x0, double k, std::string name="HarmonicSurfaceDistancePairScore%1%") -> HarmonicSurfaceDistancePairScore"""
10629 _IMP_core.HarmonicSurfaceDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDistancePairScore(*args))
10631 def do_get_inputs(self, m, pis):
10632 r"""do_get_inputs(HarmonicSurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10633 return _IMP_core.HarmonicSurfaceDistancePairScore_do_get_inputs(self, m, pis)
10635 def get_version_info(self):
10636 r"""get_version_info(HarmonicSurfaceDistancePairScore self) -> VersionInfo"""
10637 return _IMP_core.HarmonicSurfaceDistancePairScore_get_version_info(self)
10638 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDistancePairScore
10641 r"""__str__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10642 return _IMP_core.HarmonicSurfaceDistancePairScore___str__(self)
10644 def __repr__(self):
10645 r"""__repr__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10646 return _IMP_core.HarmonicSurfaceDistancePairScore___repr__(self)
10650 return _object_cast_to_HarmonicSurfaceDistancePairScore(o)
10654 _IMP_core.HarmonicSurfaceDistancePairScore_swigregister(HarmonicSurfaceDistancePairScore)
10656 r"""Proxy of C++ IMP::core::HarmonicSurfaceHeightPairScore class."""
10658 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10660 def __init__(self, *args):
10661 r"""__init__(HarmonicSurfaceHeightPairScore self, double x0, double k, std::string name="HarmonicSurfaceHeightPairScore%1%") -> HarmonicSurfaceHeightPairScore"""
10662 _IMP_core.HarmonicSurfaceHeightPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceHeightPairScore(*args))
10664 def do_get_inputs(self, m, pis):
10665 r"""do_get_inputs(HarmonicSurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10666 return _IMP_core.HarmonicSurfaceHeightPairScore_do_get_inputs(self, m, pis)
10668 def get_version_info(self):
10669 r"""get_version_info(HarmonicSurfaceHeightPairScore self) -> VersionInfo"""
10670 return _IMP_core.HarmonicSurfaceHeightPairScore_get_version_info(self)
10671 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceHeightPairScore
10674 r"""__str__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10675 return _IMP_core.HarmonicSurfaceHeightPairScore___str__(self)
10677 def __repr__(self):
10678 r"""__repr__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10679 return _IMP_core.HarmonicSurfaceHeightPairScore___repr__(self)
10683 return _object_cast_to_HarmonicSurfaceHeightPairScore(o)
10687 _IMP_core.HarmonicSurfaceHeightPairScore_swigregister(HarmonicSurfaceHeightPairScore)
10689 r"""Proxy of C++ IMP::core::HarmonicSurfaceDepthPairScore class."""
10691 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10693 def __init__(self, *args):
10694 r"""__init__(HarmonicSurfaceDepthPairScore self, double x0, double k, std::string name="HarmonicSurfaceDepthPairScore%1%") -> HarmonicSurfaceDepthPairScore"""
10695 _IMP_core.HarmonicSurfaceDepthPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDepthPairScore(*args))
10697 def do_get_inputs(self, m, pis):
10698 r"""do_get_inputs(HarmonicSurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10699 return _IMP_core.HarmonicSurfaceDepthPairScore_do_get_inputs(self, m, pis)
10701 def get_version_info(self):
10702 r"""get_version_info(HarmonicSurfaceDepthPairScore self) -> VersionInfo"""
10703 return _IMP_core.HarmonicSurfaceDepthPairScore_get_version_info(self)
10704 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDepthPairScore
10707 r"""__str__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10708 return _IMP_core.HarmonicSurfaceDepthPairScore___str__(self)
10710 def __repr__(self):
10711 r"""__repr__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10712 return _IMP_core.HarmonicSurfaceDepthPairScore___repr__(self)
10716 return _object_cast_to_HarmonicSurfaceDepthPairScore(o)
10720 _IMP_core.HarmonicSurfaceDepthPairScore_swigregister(HarmonicSurfaceDepthPairScore)
10722 r"""Proxy of C++ IMP::core::SoftSuperSurfacePairScore class."""
10724 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10726 def __init__(self, *args):
10727 r"""__init__(SoftSuperSurfacePairScore self, double k, std::string name="SoftSuperSurfacePairScore%1%") -> SoftSuperSurfacePairScore"""
10728 _IMP_core.SoftSuperSurfacePairScore_swiginit(self, _IMP_core.new_SoftSuperSurfacePairScore(*args))
10730 def do_get_inputs(self, m, pis):
10731 r"""do_get_inputs(SoftSuperSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10732 return _IMP_core.SoftSuperSurfacePairScore_do_get_inputs(self, m, pis)
10734 def get_version_info(self):
10735 r"""get_version_info(SoftSuperSurfacePairScore self) -> VersionInfo"""
10736 return _IMP_core.SoftSuperSurfacePairScore_get_version_info(self)
10737 __swig_destroy__ = _IMP_core.delete_SoftSuperSurfacePairScore
10740 r"""__str__(SoftSuperSurfacePairScore self) -> std::string"""
10741 return _IMP_core.SoftSuperSurfacePairScore___str__(self)
10743 def __repr__(self):
10744 r"""__repr__(SoftSuperSurfacePairScore self) -> std::string"""
10745 return _IMP_core.SoftSuperSurfacePairScore___repr__(self)
10749 return _object_cast_to_SoftSuperSurfacePairScore(o)
10753 _IMP_core.SoftSuperSurfacePairScore_swigregister(SoftSuperSurfacePairScore)
10755 r"""Proxy of C++ IMP::core::SoftSubSurfacePairScore class."""
10757 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10759 def __init__(self, *args):
10760 r"""__init__(SoftSubSurfacePairScore self, double k, std::string name="SoftSubSurfacePairScore%1%") -> SoftSubSurfacePairScore"""
10761 _IMP_core.SoftSubSurfacePairScore_swiginit(self, _IMP_core.new_SoftSubSurfacePairScore(*args))
10763 def do_get_inputs(self, m, pis):
10764 r"""do_get_inputs(SoftSubSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10765 return _IMP_core.SoftSubSurfacePairScore_do_get_inputs(self, m, pis)
10767 def get_version_info(self):
10768 r"""get_version_info(SoftSubSurfacePairScore self) -> VersionInfo"""
10769 return _IMP_core.SoftSubSurfacePairScore_get_version_info(self)
10770 __swig_destroy__ = _IMP_core.delete_SoftSubSurfacePairScore
10773 r"""__str__(SoftSubSurfacePairScore self) -> std::string"""
10774 return _IMP_core.SoftSubSurfacePairScore___str__(self)
10776 def __repr__(self):
10777 r"""__repr__(SoftSubSurfacePairScore self) -> std::string"""
10778 return _IMP_core.SoftSubSurfacePairScore___repr__(self)
10782 return _object_cast_to_SoftSubSurfacePairScore(o)
10786 _IMP_core.SoftSubSurfacePairScore_swigregister(SoftSubSurfacePairScore)
10788 r"""Proxy of C++ IMP::core::SurfaceTetheredChain class."""
10790 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10792 def __init__(self, link_num, link_length):
10793 r"""__init__(SurfaceTetheredChain self, int link_num, double link_length) -> SurfaceTetheredChain"""
10794 _IMP_core.SurfaceTetheredChain_swiginit(self, _IMP_core.new_SurfaceTetheredChain(link_num, link_length))
10796 def get_version_info(self):
10797 r"""get_version_info(SurfaceTetheredChain self) -> VersionInfo"""
10798 return _IMP_core.SurfaceTetheredChain_get_version_info(self)
10799 __swig_destroy__ = _IMP_core.delete_SurfaceTetheredChain
10801 def get_link_number(self):
10802 r"""get_link_number(SurfaceTetheredChain self) -> int"""
10803 return _IMP_core.SurfaceTetheredChain_get_link_number(self)
10805 def get_link_length(self):
10806 r"""get_link_length(SurfaceTetheredChain self) -> double"""
10807 return _IMP_core.SurfaceTetheredChain_get_link_length(self)
10809 def set_link_number(self, N):
10810 r"""set_link_number(SurfaceTetheredChain self, int N)"""
10811 return _IMP_core.SurfaceTetheredChain_set_link_number(self, N)
10813 def set_link_length(self, b):
10814 r"""set_link_length(SurfaceTetheredChain self, double b)"""
10815 return _IMP_core.SurfaceTetheredChain_set_link_length(self, b)
10817 def get_distance_at_minimum(self):
10818 r"""get_distance_at_minimum(SurfaceTetheredChain self) -> double"""
10819 return _IMP_core.SurfaceTetheredChain_get_distance_at_minimum(self)
10821 def get_average_distance(self):
10822 r"""get_average_distance(SurfaceTetheredChain self) -> double"""
10823 return _IMP_core.SurfaceTetheredChain_get_average_distance(self)
10826 r"""__str__(SurfaceTetheredChain self) -> std::string"""
10827 return _IMP_core.SurfaceTetheredChain___str__(self)
10829 def __repr__(self):
10830 r"""__repr__(SurfaceTetheredChain self) -> std::string"""
10831 return _IMP_core.SurfaceTetheredChain___repr__(self)
10835 return _object_cast_to_SurfaceTetheredChain(o)
10839 _IMP_core.SurfaceTetheredChain_swigregister(SurfaceTetheredChain)
10841 r"""Proxy of C++ IMP::core::SurfaceSymmetryConstraint class."""
10843 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10845 def __init__(self, m, ss, rbs):
10846 r"""__init__(SurfaceSymmetryConstraint self, Model m, IMP::ParticleIndexPair const & ss, IMP::ParticleIndexPair const & rbs) -> SurfaceSymmetryConstraint"""
10847 _IMP_core.SurfaceSymmetryConstraint_swiginit(self, _IMP_core.new_SurfaceSymmetryConstraint(m, ss, rbs))
10849 def do_get_inputs(self):
10850 r"""do_get_inputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10851 return _IMP_core.SurfaceSymmetryConstraint_do_get_inputs(self)
10853 def do_get_outputs(self):
10854 r"""do_get_outputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10855 return _IMP_core.SurfaceSymmetryConstraint_do_get_outputs(self)
10857 def get_version_info(self):
10858 r"""get_version_info(SurfaceSymmetryConstraint self) -> VersionInfo"""
10859 return _IMP_core.SurfaceSymmetryConstraint_get_version_info(self)
10860 __swig_destroy__ = _IMP_core.delete_SurfaceSymmetryConstraint
10863 r"""__str__(SurfaceSymmetryConstraint self) -> std::string"""
10864 return _IMP_core.SurfaceSymmetryConstraint___str__(self)
10866 def __repr__(self):
10867 r"""__repr__(SurfaceSymmetryConstraint self) -> std::string"""
10868 return _IMP_core.SurfaceSymmetryConstraint___repr__(self)
10872 return _object_cast_to_SurfaceSymmetryConstraint(o)
10876 _IMP_core.SurfaceSymmetryConstraint_swigregister(SurfaceSymmetryConstraint)
10878 r"""Proxy of C++ IMP::core::SteepestDescent class."""
10880 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10882 def __init__(self, *args):
10883 r"""__init__(SteepestDescent self, Model m, std::string name="SteepestDescent%1%") -> SteepestDescent"""
10884 _IMP_core.SteepestDescent_swiginit(self, _IMP_core.new_SteepestDescent(*args))
10886 def do_optimize(self, max_steps):
10887 r"""do_optimize(SteepestDescent self, unsigned int max_steps) -> IMP::Float"""
10888 return _IMP_core.SteepestDescent_do_optimize(self, max_steps)
10890 def get_version_info(self):
10891 r"""get_version_info(SteepestDescent self) -> VersionInfo"""
10892 return _IMP_core.SteepestDescent_get_version_info(self)
10893 __swig_destroy__ = _IMP_core.delete_SteepestDescent
10895 def set_threshold(self, t):
10896 r"""set_threshold(SteepestDescent self, IMP::Float t)"""
10897 return _IMP_core.SteepestDescent_set_threshold(self, t)
10899 def set_step_size(self, t):
10900 r"""set_step_size(SteepestDescent self, IMP::Float t)"""
10901 return _IMP_core.SteepestDescent_set_step_size(self, t)
10903 def set_maximum_step_size(self, t):
10904 r"""set_maximum_step_size(SteepestDescent self, IMP::Float t)"""
10905 return _IMP_core.SteepestDescent_set_maximum_step_size(self, t)
10908 r"""__str__(SteepestDescent self) -> std::string"""
10909 return _IMP_core.SteepestDescent___str__(self)
10911 def __repr__(self):
10912 r"""__repr__(SteepestDescent self) -> std::string"""
10913 return _IMP_core.SteepestDescent___repr__(self)
10917 return _object_cast_to_SteepestDescent(o)
10921 _IMP_core.SteepestDescent_swigregister(SteepestDescent)
10923 r"""Proxy of C++ IMP::core::TransformedDistancePairScore class."""
10925 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10927 def __init__(self, f, transformation):
10928 r"""__init__(TransformedDistancePairScore self, UnaryFunction f, Transformation3D transformation) -> TransformedDistancePairScore"""
10929 _IMP_core.TransformedDistancePairScore_swiginit(self, _IMP_core.new_TransformedDistancePairScore(f, transformation))
10931 def set_transformation(self, rot):
10932 r"""set_transformation(TransformedDistancePairScore self, Transformation3D rot)"""
10933 return _IMP_core.TransformedDistancePairScore_set_transformation(self, rot)
10935 def do_get_inputs(self, m, pis):
10936 r"""do_get_inputs(TransformedDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10937 return _IMP_core.TransformedDistancePairScore_do_get_inputs(self, m, pis)
10939 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10940 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"""
10941 return _IMP_core.TransformedDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10943 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10944 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"""
10945 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10947 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10948 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"""
10949 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10951 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10952 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"""
10953 return _IMP_core.TransformedDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10955 def get_version_info(self):
10956 r"""get_version_info(TransformedDistancePairScore self) -> VersionInfo"""
10957 return _IMP_core.TransformedDistancePairScore_get_version_info(self)
10958 __swig_destroy__ = _IMP_core.delete_TransformedDistancePairScore
10961 r"""__str__(TransformedDistancePairScore self) -> std::string"""
10962 return _IMP_core.TransformedDistancePairScore___str__(self)
10964 def __repr__(self):
10965 r"""__repr__(TransformedDistancePairScore self) -> std::string"""
10966 return _IMP_core.TransformedDistancePairScore___repr__(self)
10970 return _object_cast_to_TransformedDistancePairScore(o)
10974 _IMP_core.TransformedDistancePairScore_swigregister(TransformedDistancePairScore)
10976 r"""Proxy of C++ IMP::core::TypedPairScore class."""
10978 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10980 def __init__(self, typekey, allow_invalid_types=True):
10981 r"""__init__(TypedPairScore self, IntKey typekey, bool allow_invalid_types=True) -> TypedPairScore"""
10982 _IMP_core.TypedPairScore_swiginit(self, _IMP_core.new_TypedPairScore(typekey, allow_invalid_types))
10984 def set_particle_type(self, arg2):
10985 r"""set_particle_type(TypedPairScore self, Particle arg2)"""
10986 return _IMP_core.TypedPairScore_set_particle_type(self, arg2)
10988 def set_pair_score(self, ps, atype, btype):
10989 r"""set_pair_score(TypedPairScore self, PairScore ps, IMP::Int atype, IMP::Int btype)"""
10990 return _IMP_core.TypedPairScore_set_pair_score(self, ps, atype, btype)
10992 def do_get_inputs(self, m, pis):
10993 r"""do_get_inputs(TypedPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10994 return _IMP_core.TypedPairScore_do_get_inputs(self, m, pis)
10996 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10997 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"""
10998 return _IMP_core.TypedPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
11000 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
11001 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"""
11002 return _IMP_core.TypedPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
11004 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
11005 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"""
11006 return _IMP_core.TypedPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
11008 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
11009 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"""
11010 return _IMP_core.TypedPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
11012 def get_version_info(self):
11013 r"""get_version_info(TypedPairScore self) -> VersionInfo"""
11014 return _IMP_core.TypedPairScore_get_version_info(self)
11015 __swig_destroy__ = _IMP_core.delete_TypedPairScore
11018 r"""__str__(TypedPairScore self) -> std::string"""
11019 return _IMP_core.TypedPairScore___str__(self)
11021 def __repr__(self):
11022 r"""__repr__(TypedPairScore self) -> std::string"""
11023 return _IMP_core.TypedPairScore___repr__(self)
11027 return _object_cast_to_TypedPairScore(o)
11031 _IMP_core.TypedPairScore_swigregister(TypedPairScore)
11032 class RigidBodyDistancePairScore(KClosePairsPairScore):
11033 r"""Proxy of C++ IMP::core::RigidBodyDistancePairScore class."""
11035 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11037 def __init__(self, ps, r):
11038 r"""__init__(RigidBodyDistancePairScore self, PairScore ps, Refiner r) -> RigidBodyDistancePairScore"""
11039 _IMP_core.RigidBodyDistancePairScore_swiginit(self, _IMP_core.new_RigidBodyDistancePairScore(ps, r))
11042 r"""__str__(RigidBodyDistancePairScore self) -> std::string"""
11043 return _IMP_core.RigidBodyDistancePairScore___str__(self)
11045 def __repr__(self):
11046 r"""__repr__(RigidBodyDistancePairScore self) -> std::string"""
11047 return _IMP_core.RigidBodyDistancePairScore___repr__(self)
11051 return _object_cast_to_RigidBodyDistancePairScore(o)
11053 __swig_destroy__ = _IMP_core.delete_RigidBodyDistancePairScore
11056 _IMP_core.RigidBodyDistancePairScore_swigregister(RigidBodyDistancePairScore)
11058 r"""Proxy of C++ IMP::core::RigidBodyAnglePairScore class."""
11060 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11062 def __init__(self, f):
11063 r"""__init__(RigidBodyAnglePairScore self, UnaryFunction f) -> RigidBodyAnglePairScore"""
11064 _IMP_core.RigidBodyAnglePairScore_swiginit(self, _IMP_core.new_RigidBodyAnglePairScore(f))
11066 def do_get_inputs(self, m, pis):
11067 r"""do_get_inputs(RigidBodyAnglePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
11068 return _IMP_core.RigidBodyAnglePairScore_do_get_inputs(self, m, pis)
11070 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
11071 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"""
11072 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
11074 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
11075 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"""
11076 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
11078 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
11079 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"""
11080 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
11082 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
11083 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"""
11084 return _IMP_core.RigidBodyAnglePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
11086 def get_version_info(self):
11087 r"""get_version_info(RigidBodyAnglePairScore self) -> VersionInfo"""
11088 return _IMP_core.RigidBodyAnglePairScore_get_version_info(self)
11089 __swig_destroy__ = _IMP_core.delete_RigidBodyAnglePairScore
11092 r"""__str__(RigidBodyAnglePairScore self) -> std::string"""
11093 return _IMP_core.RigidBodyAnglePairScore___str__(self)
11095 def __repr__(self):
11096 r"""__repr__(RigidBodyAnglePairScore self) -> std::string"""
11097 return _IMP_core.RigidBodyAnglePairScore___repr__(self)
11101 return _object_cast_to_RigidBodyAnglePairScore(o)
11105 _IMP_core.RigidBodyAnglePairScore_swigregister(RigidBodyAnglePairScore)
11107 r"""Proxy of C++ IMP::core::TableRefiner class."""
11109 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11111 def __init__(self):
11112 r"""__init__(TableRefiner self) -> TableRefiner"""
11113 _IMP_core.TableRefiner_swiginit(self, _IMP_core.new_TableRefiner())
11116 r"""add_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
11117 return _IMP_core.TableRefiner_add_particle(self, p, ps)
11119 def remove_particle(self, p):
11120 r"""remove_particle(TableRefiner self, Particle p)"""
11121 return _IMP_core.TableRefiner_remove_particle(self, p)
11123 def set_particle(self, p, ps):
11124 r"""set_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
11125 return _IMP_core.TableRefiner_set_particle(self, p, ps)
11127 def do_get_inputs(self, m, pis):
11128 r"""do_get_inputs(TableRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
11129 return _IMP_core.TableRefiner_do_get_inputs(self, m, pis)
11131 def get_version_info(self):
11132 r"""get_version_info(TableRefiner self) -> VersionInfo"""
11133 return _IMP_core.TableRefiner_get_version_info(self)
11134 __swig_destroy__ = _IMP_core.delete_TableRefiner
11137 r"""__str__(TableRefiner self) -> std::string"""
11138 return _IMP_core.TableRefiner___str__(self)
11140 def __repr__(self):
11141 r"""__repr__(TableRefiner self) -> std::string"""
11142 return _IMP_core.TableRefiner___repr__(self)
11146 return _object_cast_to_TableRefiner(o)
11150 _IMP_core.TableRefiner_swigregister(TableRefiner)
11151 LOWER = _IMP_core.LOWER
11153 BOTH = _IMP_core.BOTH
11155 UPPER = _IMP_core.UPPER
11158 r"""Proxy of C++ IMP::core::MCCGSampler class."""
11160 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11162 def __init__(self, *args):
11163 r"""__init__(MCCGSampler self, Model m, std::string name="MCCG Sampler %1%") -> MCCGSampler"""
11164 _IMP_core.MCCGSampler_swiginit(self, _IMP_core.new_MCCGSampler(*args))
11166 def set_bounding_box(self, bb):
11167 r"""set_bounding_box(MCCGSampler self, BoundingBox3D bb)"""
11168 return _IMP_core.MCCGSampler_set_bounding_box(self, bb)
11170 def set_number_of_attempts(self, att):
11171 r"""set_number_of_attempts(MCCGSampler self, unsigned int att)"""
11172 return _IMP_core.MCCGSampler_set_number_of_attempts(self, att)
11174 def set_number_of_monte_carlo_steps(self, cg):
11175 r"""set_number_of_monte_carlo_steps(MCCGSampler self, unsigned int cg)"""
11176 return _IMP_core.MCCGSampler_set_number_of_monte_carlo_steps(self, cg)
11178 def set_number_of_conjugate_gradient_steps(self, cg):
11179 r"""set_number_of_conjugate_gradient_steps(MCCGSampler self, unsigned int cg)"""
11180 return _IMP_core.MCCGSampler_set_number_of_conjugate_gradient_steps(self, cg)
11182 def set_max_monte_carlo_step_size(self, *args):
11184 set_max_monte_carlo_step_size(MCCGSampler self, double d)
11185 set_max_monte_carlo_step_size(MCCGSampler self, FloatKey k, double d)
11187 return _IMP_core.MCCGSampler_set_max_monte_carlo_step_size(self, *args)
11189 def set_is_refining(self, tf):
11190 r"""set_is_refining(MCCGSampler self, bool tf)"""
11191 return _IMP_core.MCCGSampler_set_is_refining(self, tf)
11193 def set_local_optimizer(self, opt):
11194 r"""set_local_optimizer(MCCGSampler self, Optimizer opt)"""
11195 return _IMP_core.MCCGSampler_set_local_optimizer(self, opt)
11197 def set_save_rejected_configurations(self, tf):
11198 r"""set_save_rejected_configurations(MCCGSampler self, bool tf)"""
11199 return _IMP_core.MCCGSampler_set_save_rejected_configurations(self, tf)
11201 def get_rejected_configurations(self):
11202 r"""get_rejected_configurations(MCCGSampler self) -> ConfigurationSet"""
11203 return _IMP_core.MCCGSampler_get_rejected_configurations(self)
11204 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)
11205 def __set_optimizer_states(self, obj): IMP._list_util.set_varlist(self.optimizer_states, obj)
11206 def __del_optimizer_states(self): IMP._list_util.del_varlist(self.optimizer_states)
11207 optimizer_states = property(__get_optimizer_states, __set_optimizer_states, __del_optimizer_states, doc=
"List of ##ucnames")
11209 def remove_optimizer_state(self, d):
11210 r"""remove_optimizer_state(MCCGSampler self, OptimizerState d)"""
11211 return _IMP_core.MCCGSampler_remove_optimizer_state(self, d)
11213 def _python_index_optimizer_state(self, d, start, stop):
11214 r"""_python_index_optimizer_state(MCCGSampler self, OptimizerState d, unsigned int start, unsigned int stop) -> unsigned int"""
11215 return _IMP_core.MCCGSampler__python_index_optimizer_state(self, d, start, stop)
11217 def remove_optimizer_states(self, d):
11218 r"""remove_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & d)"""
11219 return _IMP_core.MCCGSampler_remove_optimizer_states(self, d)
11221 def set_optimizer_states(self, ps):
11222 r"""set_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & ps)"""
11223 return _IMP_core.MCCGSampler_set_optimizer_states(self, ps)
11225 def set_optimizer_states_order(self, objs):
11226 r"""set_optimizer_states_order(MCCGSampler self, IMP::OptimizerStates const & objs)"""
11227 return _IMP_core.MCCGSampler_set_optimizer_states_order(self, objs)
11229 def add_optimizer_state(self, obj):
11230 r"""add_optimizer_state(MCCGSampler self, OptimizerState obj) -> unsigned int"""
11231 return _IMP_core.MCCGSampler_add_optimizer_state(self, obj)
11233 def add_optimizer_states(self, objs):
11234 r"""add_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & objs)"""
11235 return _IMP_core.MCCGSampler_add_optimizer_states(self, objs)
11237 def clear_optimizer_states(self):
11238 r"""clear_optimizer_states(MCCGSampler self)"""
11239 return _IMP_core.MCCGSampler_clear_optimizer_states(self)
11241 def get_number_of_optimizer_states(self):
11242 r"""get_number_of_optimizer_states(MCCGSampler self) -> unsigned int"""
11243 return _IMP_core.MCCGSampler_get_number_of_optimizer_states(self)
11245 def get_has_optimizer_states(self):
11246 r"""get_has_optimizer_states(MCCGSampler self) -> bool"""
11247 return _IMP_core.MCCGSampler_get_has_optimizer_states(self)
11249 def get_optimizer_state(self, i):
11250 r"""get_optimizer_state(MCCGSampler self, unsigned int i) -> OptimizerState"""
11251 return _IMP_core.MCCGSampler_get_optimizer_state(self, i)
11253 def get_optimizer_states(self):
11254 r"""get_optimizer_states(MCCGSampler self) -> IMP::OptimizerStates"""
11255 return _IMP_core.MCCGSampler_get_optimizer_states(self)
11257 def erase_optimizer_state(self, i):
11258 r"""erase_optimizer_state(MCCGSampler self, unsigned int i)"""
11259 return _IMP_core.MCCGSampler_erase_optimizer_state(self, i)
11261 def reserve_optimizer_states(self, sz):
11262 r"""reserve_optimizer_states(MCCGSampler self, unsigned int sz)"""
11263 return _IMP_core.MCCGSampler_reserve_optimizer_states(self, sz)
11265 def do_sample(self):
11266 r"""do_sample(MCCGSampler self) -> ConfigurationSet"""
11267 return _IMP_core.MCCGSampler_do_sample(self)
11269 def get_version_info(self):
11270 r"""get_version_info(MCCGSampler self) -> VersionInfo"""
11271 return _IMP_core.MCCGSampler_get_version_info(self)
11272 __swig_destroy__ = _IMP_core.delete_MCCGSampler
11275 r"""__str__(MCCGSampler self) -> std::string"""
11276 return _IMP_core.MCCGSampler___str__(self)
11278 def __repr__(self):
11279 r"""__repr__(MCCGSampler self) -> std::string"""
11280 return _IMP_core.MCCGSampler___repr__(self)
11284 return _object_cast_to_MCCGSampler(o)
11288 _IMP_core.MCCGSampler_swigregister(MCCGSampler)
11290 r"""Proxy of C++ IMP::core::MinimumRestraint class."""
11292 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11294 def __init__(self, *args):
11295 r"""__init__(MinimumRestraint self, unsigned int num, IMP::Restraints const & rs=IMP::Restraints(), std::string name="MinimumRestraint %1%") -> MinimumRestraint"""
11296 _IMP_core.MinimumRestraint_swiginit(self, _IMP_core.new_MinimumRestraint(*args))
11298 def do_get_inputs(self):
11299 r"""do_get_inputs(MinimumRestraint self) -> IMP::ModelObjectsTemp"""
11300 return _IMP_core.MinimumRestraint_do_get_inputs(self)
11302 def get_version_info(self):
11303 r"""get_version_info(MinimumRestraint self) -> VersionInfo"""
11304 return _IMP_core.MinimumRestraint_get_version_info(self)
11305 __swig_destroy__ = _IMP_core.delete_MinimumRestraint
11306 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)
11307 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
11308 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
11309 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##ucnames")
11311 def remove_restraint(self, d):
11312 r"""remove_restraint(MinimumRestraint self, Restraint d)"""
11313 return _IMP_core.MinimumRestraint_remove_restraint(self, d)
11315 def _python_index_restraint(self, d, start, stop):
11316 r"""_python_index_restraint(MinimumRestraint self, Restraint d, unsigned int start, unsigned int stop) -> unsigned int"""
11317 return _IMP_core.MinimumRestraint__python_index_restraint(self, d, start, stop)
11319 def remove_restraints(self, d):
11320 r"""remove_restraints(MinimumRestraint self, IMP::Restraints const & d)"""
11321 return _IMP_core.MinimumRestraint_remove_restraints(self, d)
11323 def set_restraints(self, ps):
11324 r"""set_restraints(MinimumRestraint self, IMP::Restraints const & ps)"""
11325 return _IMP_core.MinimumRestraint_set_restraints(self, ps)
11327 def set_restraints_order(self, objs):
11328 r"""set_restraints_order(MinimumRestraint self, IMP::Restraints const & objs)"""
11329 return _IMP_core.MinimumRestraint_set_restraints_order(self, objs)
11332 r"""add_restraint(MinimumRestraint self, Restraint obj) -> unsigned int"""
11333 return _IMP_core.MinimumRestraint_add_restraint(self, obj)
11336 r"""add_restraints(MinimumRestraint self, IMP::Restraints const & objs)"""
11337 return _IMP_core.MinimumRestraint_add_restraints(self, objs)
11339 def clear_restraints(self):
11340 r"""clear_restraints(MinimumRestraint self)"""
11341 return _IMP_core.MinimumRestraint_clear_restraints(self)
11343 def get_number_of_restraints(self):
11344 r"""get_number_of_restraints(MinimumRestraint self) -> unsigned int"""
11345 return _IMP_core.MinimumRestraint_get_number_of_restraints(self)
11347 def get_has_restraints(self):
11348 r"""get_has_restraints(MinimumRestraint self) -> bool"""
11349 return _IMP_core.MinimumRestraint_get_has_restraints(self)
11351 def get_restraint(self, i):
11352 r"""get_restraint(MinimumRestraint self, unsigned int i) -> Restraint"""
11353 return _IMP_core.MinimumRestraint_get_restraint(self, i)
11355 def get_restraints(self):
11356 r"""get_restraints(MinimumRestraint self) -> IMP::Restraints"""
11357 return _IMP_core.MinimumRestraint_get_restraints(self)
11359 def erase_restraint(self, i):
11360 r"""erase_restraint(MinimumRestraint self, unsigned int i)"""
11361 return _IMP_core.MinimumRestraint_erase_restraint(self, i)
11363 def reserve_restraints(self, sz):
11364 r"""reserve_restraints(MinimumRestraint self, unsigned int sz)"""
11365 return _IMP_core.MinimumRestraint_reserve_restraints(self, sz)
11368 r"""__str__(MinimumRestraint self) -> std::string"""
11369 return _IMP_core.MinimumRestraint___str__(self)
11371 def __repr__(self):
11372 r"""__repr__(MinimumRestraint self) -> std::string"""
11373 return _IMP_core.MinimumRestraint___repr__(self)
11377 return _object_cast_to_MinimumRestraint(o)
11381 _IMP_core.MinimumRestraint_swigregister(MinimumRestraint)
11382 class Gaussian(RigidBody):
11383 r"""Proxy of C++ IMP::core::Gaussian class."""
11385 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11387 def __init__(self, *args):
11389 __init__(Gaussian self) -> Gaussian
11390 __init__(Gaussian self, Model m, ParticleIndex id) -> Gaussian
11391 __init__(Gaussian self, _ParticleAdaptor d) -> Gaussian
11393 _IMP_core.Gaussian_swiginit(self, _IMP_core.new_Gaussian(*args))
11395 def show(self, *args):
11396 r"""show(Gaussian self, _ostream out=std::cout)"""
11397 return _IMP_core.Gaussian_show(self, *args)
11400 def setup_particle(*args):
11402 setup_particle(Model m, ParticleIndex pi) -> Gaussian
11403 setup_particle(_ParticleAdaptor pa) -> Gaussian
11404 setup_particle(Model m, ParticleIndex pi, Gaussian3D g) -> Gaussian
11405 setup_particle(_ParticleAdaptor pa, Gaussian3D g) -> Gaussian
11407 return _IMP_core.Gaussian_setup_particle(*args)
11410 def get_local_covariance_key():
11411 r"""get_local_covariance_key() -> ObjectKey"""
11412 return _IMP_core.Gaussian_get_local_covariance_key()
11415 def get_global_covariance_key():
11416 r"""get_global_covariance_key() -> ObjectKey"""
11417 return _IMP_core.Gaussian_get_global_covariance_key()
11420 def get_is_setup(*args):
11422 get_is_setup(_ParticleAdaptor p) -> bool
11423 get_is_setup(Model m, ParticleIndex pi) -> bool
11425 return _IMP_core.Gaussian_get_is_setup(*args)
11427 def get_local_covariance(self):
11428 r"""get_local_covariance(Gaussian self) -> Eigen::Matrix3d"""
11429 return _IMP_core.Gaussian_get_local_covariance(self)
11431 def get_variances(self):
11432 r"""get_variances(Gaussian self) -> Vector3D"""
11433 return _IMP_core.Gaussian_get_variances(self)
11435 def get_global_covariance(self):
11436 r"""get_global_covariance(Gaussian self) -> Eigen::Matrix3d"""
11437 return _IMP_core.Gaussian_get_global_covariance(self)
11439 def get_gaussian(self):
11440 r"""get_gaussian(Gaussian self) -> Gaussian3D"""
11441 return _IMP_core.Gaussian_get_gaussian(self)
11443 def set_gaussian(self, g):
11444 r"""set_gaussian(Gaussian self, Gaussian3D g)"""
11445 return _IMP_core.Gaussian_set_gaussian(self, g)
11447 def set_local_covariance(self, covar):
11448 r"""set_local_covariance(Gaussian self, Eigen::Vector3d const covar)"""
11449 return _IMP_core.Gaussian_set_local_covariance(self, covar)
11451 def set_variances(self, v):
11452 r"""set_variances(Gaussian self, Vector3D v)"""
11453 return _IMP_core.Gaussian_set_variances(self, v)
11455 def set_global_covariance(self, covar):
11456 r"""set_global_covariance(Gaussian self, Eigen::Matrix3d covar)"""
11457 return _IMP_core.Gaussian_set_global_covariance(self, covar)
11459 def update_global_covariance(self):
11460 r"""update_global_covariance(Gaussian self)"""
11461 return _IMP_core.Gaussian_update_global_covariance(self)
11463 def add_attribute(self, *args):
11465 add_attribute(Gaussian self, FloatKey k, IMP::Float v, bool opt)
11466 add_attribute(Gaussian self, FloatKey a0, IMP::Float a1)
11467 add_attribute(Gaussian self, IntKey a0, IMP::Int a1)
11468 add_attribute(Gaussian self, FloatsKey a0, IMP::Floats a1)
11469 add_attribute(Gaussian self, IntsKey a0, IMP::Ints a1)
11470 add_attribute(Gaussian self, StringKey a0, IMP::String a1)
11471 add_attribute(Gaussian self, ParticleIndexKey a0, Particle a1)
11472 add_attribute(Gaussian self, ObjectKey a0, Object a1)
11473 add_attribute(Gaussian self, SparseFloatKey a0, IMP::Float a1)
11474 add_attribute(Gaussian self, SparseIntKey a0, IMP::Int a1)
11475 add_attribute(Gaussian self, SparseStringKey a0, IMP::String a1)
11476 add_attribute(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
11478 return _IMP_core.Gaussian_add_attribute(self, *args)
11480 def get_value(self, *args):
11482 get_value(Gaussian self, FloatKey a0) -> IMP::Float
11483 get_value(Gaussian self, IntKey a0) -> IMP::Int
11484 get_value(Gaussian self, FloatsKey a0) -> IMP::Floats
11485 get_value(Gaussian self, IntsKey a0) -> IMP::Ints
11486 get_value(Gaussian self, StringKey a0) -> IMP::String
11487 get_value(Gaussian self, ParticleIndexKey a0) -> Particle
11488 get_value(Gaussian self, ObjectKey a0) -> Object
11489 get_value(Gaussian self, SparseFloatKey a0) -> IMP::Float
11490 get_value(Gaussian self, SparseIntKey a0) -> IMP::Int
11491 get_value(Gaussian self, SparseStringKey a0) -> IMP::String
11492 get_value(Gaussian self, SparseParticleIndexKey a0) -> ParticleIndex
11494 return _IMP_core.Gaussian_get_value(self, *args)
11496 def set_value(self, *args):
11498 set_value(Gaussian self, FloatKey a0, IMP::Float a1)
11499 set_value(Gaussian self, IntKey a0, IMP::Int a1)
11500 set_value(Gaussian self, FloatsKey a0, IMP::Floats a1)
11501 set_value(Gaussian self, IntsKey a0, IMP::Ints a1)
11502 set_value(Gaussian self, StringKey a0, IMP::String a1)
11503 set_value(Gaussian self, ParticleIndexKey a0, Particle a1)
11504 set_value(Gaussian self, ObjectKey a0, Object a1)
11505 set_value(Gaussian self, SparseFloatKey a0, IMP::Float a1)
11506 set_value(Gaussian self, SparseIntKey a0, IMP::Int a1)
11507 set_value(Gaussian self, SparseStringKey a0, IMP::String a1)
11508 set_value(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
11510 return _IMP_core.Gaussian_set_value(self, *args)
11512 def remove_attribute(self, *args):
11514 remove_attribute(Gaussian self, FloatKey a0)
11515 remove_attribute(Gaussian self, IntKey a0)
11516 remove_attribute(Gaussian self, FloatsKey a0)
11517 remove_attribute(Gaussian self, IntsKey a0)
11518 remove_attribute(Gaussian self, StringKey a0)
11519 remove_attribute(Gaussian self, ParticleIndexKey a0)
11520 remove_attribute(Gaussian self, ObjectKey a0)
11521 remove_attribute(Gaussian self, SparseFloatKey a0)
11522 remove_attribute(Gaussian self, SparseIntKey a0)
11523 remove_attribute(Gaussian self, SparseStringKey a0)
11524 remove_attribute(Gaussian self, SparseParticleIndexKey a0)
11526 return _IMP_core.Gaussian_remove_attribute(self, *args)
11528 def has_attribute(self, *args):
11530 has_attribute(Gaussian self, FloatKey a0) -> bool
11531 has_attribute(Gaussian self, IntKey a0) -> bool
11532 has_attribute(Gaussian self, FloatsKey a0) -> bool
11533 has_attribute(Gaussian self, IntsKey a0) -> bool
11534 has_attribute(Gaussian self, StringKey a0) -> bool
11535 has_attribute(Gaussian self, ParticleIndexKey a0) -> bool
11536 has_attribute(Gaussian self, ObjectKey a0) -> bool
11537 has_attribute(Gaussian self, SparseFloatKey a0) -> bool
11538 has_attribute(Gaussian self, SparseIntKey a0) -> bool
11539 has_attribute(Gaussian self, SparseStringKey a0) -> bool
11540 has_attribute(Gaussian self, SparseParticleIndexKey a0) -> bool
11542 return _IMP_core.Gaussian_has_attribute(self, *args)
11544 def get_derivative(self, a0):
11545 r"""get_derivative(Gaussian self, FloatKey a0) -> double"""
11546 return _IMP_core.Gaussian_get_derivative(self, a0)
11548 def get_name(self):
11549 r"""get_name(Gaussian self) -> std::string"""
11550 return _IMP_core.Gaussian_get_name(self)
11552 def clear_caches(self):
11553 r"""clear_caches(Gaussian self)"""
11554 return _IMP_core.Gaussian_clear_caches(self)
11556 def set_name(self, a0):
11557 r"""set_name(Gaussian self, std::string a0)"""
11558 return _IMP_core.Gaussian_set_name(self, a0)
11561 r"""set_check_level(Gaussian self, IMP::CheckLevel a0)"""
11562 return _IMP_core.Gaussian_set_check_level(self, a0)
11564 def add_to_derivative(self, a0, a1, a2):
11565 r"""add_to_derivative(Gaussian self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
11566 return _IMP_core.Gaussian_add_to_derivative(self, a0, a1, a2)
11568 def set_is_optimized(self, a0, a1):
11569 r"""set_is_optimized(Gaussian self, FloatKey a0, bool a1)"""
11570 return _IMP_core.Gaussian_set_is_optimized(self, a0, a1)
11572 def get_is_optimized(self, a0):
11573 r"""get_is_optimized(Gaussian self, FloatKey a0) -> bool"""
11574 return _IMP_core.Gaussian_get_is_optimized(self, a0)
11577 r"""get_check_level(Gaussian self) -> IMP::CheckLevel"""
11578 return _IMP_core.Gaussian_get_check_level(self)
11580 def __eq__(self, *args):
11582 __eq__(Gaussian self, Gaussian o) -> bool
11583 __eq__(Gaussian self, Particle d) -> bool
11585 return _IMP_core.Gaussian___eq__(self, *args)
11587 def __ne__(self, *args):
11589 __ne__(Gaussian self, Gaussian o) -> bool
11590 __ne__(Gaussian self, Particle d) -> bool
11592 return _IMP_core.Gaussian___ne__(self, *args)
11594 def __le__(self, *args):
11596 __le__(Gaussian self, Gaussian o) -> bool
11597 __le__(Gaussian self, Particle d) -> bool
11599 return _IMP_core.Gaussian___le__(self, *args)
11601 def __lt__(self, *args):
11603 __lt__(Gaussian self, Gaussian o) -> bool
11604 __lt__(Gaussian self, Particle d) -> bool
11606 return _IMP_core.Gaussian___lt__(self, *args)
11608 def __ge__(self, *args):
11610 __ge__(Gaussian self, Gaussian o) -> bool
11611 __ge__(Gaussian self, Particle d) -> bool
11613 return _IMP_core.Gaussian___ge__(self, *args)
11615 def __gt__(self, *args):
11617 __gt__(Gaussian self, Gaussian o) -> bool
11618 __gt__(Gaussian self, Particle d) -> bool
11620 return _IMP_core.Gaussian___gt__(self, *args)
11622 def __hash__(self):
11623 r"""__hash__(Gaussian self) -> std::size_t"""
11624 return _IMP_core.Gaussian___hash__(self)
11627 r"""__str__(Gaussian self) -> std::string"""
11628 return _IMP_core.Gaussian___str__(self)
11630 def __repr__(self):
11631 r"""__repr__(Gaussian self) -> std::string"""
11632 return _IMP_core.Gaussian___repr__(self)
11634 def _get_as_binary(self):
11635 r"""_get_as_binary(Gaussian self) -> PyObject *"""
11636 return _IMP_core.Gaussian__get_as_binary(self)
11638 def _set_from_binary(self, p):
11639 r"""_set_from_binary(Gaussian self, PyObject * p)"""
11640 return _IMP_core.Gaussian__set_from_binary(self, p)
11642 def __getstate__(self):
11643 p = self._get_as_binary()
11644 if len(self.__dict__) > 1:
11645 d = self.__dict__.copy()
11650 def __setstate__(self, p):
11651 if not hasattr(self,
'this'):
11653 if isinstance(p, tuple):
11655 self.__dict__.update(d)
11656 return self._set_from_binary(p)
11658 __swig_destroy__ = _IMP_core.delete_Gaussian
11661 _IMP_core.Gaussian_swigregister(Gaussian)
11663 r"""Proxy of C++ IMP::core::PairRestraint class."""
11665 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11667 def __init__(self, *args):
11669 __init__(PairRestraint self, Model m, PairScore ss, IMP::ParticleIndexPair const & vt, std::string name="PairRestraint %1%") -> PairRestraint
11670 __init__(PairRestraint self) -> PairRestraint
11672 _IMP_core.PairRestraint_swiginit(self, _IMP_core.new_PairRestraint(*args))
11674 def get_score_object(self):
11675 r"""get_score_object(PairRestraint self) -> PairScore"""
11676 return _IMP_core.PairRestraint_get_score_object(self)
11679 r"""get_index(PairRestraint self) -> IMP::PairScore::IndexArgument"""
11680 return _IMP_core.PairRestraint_get_index(self)
11682 def get_version_info(self):
11683 r"""get_version_info(PairRestraint self) -> VersionInfo"""
11684 return _IMP_core.PairRestraint_get_version_info(self)
11685 __swig_destroy__ = _IMP_core.delete_PairRestraint
11688 r"""__str__(PairRestraint self) -> std::string"""
11689 return _IMP_core.PairRestraint___str__(self)
11691 def __repr__(self):
11692 r"""__repr__(PairRestraint self) -> std::string"""
11693 return _IMP_core.PairRestraint___repr__(self)
11697 return _object_cast_to_PairRestraint(o)
11700 def _get_as_binary(self):
11701 r"""_get_as_binary(PairRestraint self) -> PyObject *"""
11702 return _IMP_core.PairRestraint__get_as_binary(self)
11704 def _set_from_binary(self, p):
11705 r"""_set_from_binary(PairRestraint self, PyObject * p)"""
11706 return _IMP_core.PairRestraint__set_from_binary(self, p)
11708 def __getstate__(self):
11709 p = self._get_as_binary()
11710 if len(self.__dict__) > 1:
11711 d = self.__dict__.copy()
11716 def __setstate__(self, p):
11717 if not hasattr(self,
'this'):
11719 if isinstance(p, tuple):
11721 self.__dict__.update(d)
11722 return self._set_from_binary(p)
11725 def _get_jax(self):
11726 from .
import _jax_util
11727 return _jax_util._get_jax_restraint(self)
11731 _IMP_core.PairRestraint_swigregister(PairRestraint)
11733 r"""Proxy of C++ IMP::core::SingletonRestraint class."""
11735 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11737 def __init__(self, *args):
11739 __init__(SingletonRestraint self, Model m, SingletonScore ss, ParticleIndex vt, std::string name="SingletonRestraint %1%") -> SingletonRestraint
11740 __init__(SingletonRestraint self) -> SingletonRestraint
11742 _IMP_core.SingletonRestraint_swiginit(self, _IMP_core.new_SingletonRestraint(*args))
11744 def get_score_object(self):
11745 r"""get_score_object(SingletonRestraint self) -> SingletonScore"""
11746 return _IMP_core.SingletonRestraint_get_score_object(self)
11749 r"""get_index(SingletonRestraint self) -> ParticleIndex"""
11750 return _IMP_core.SingletonRestraint_get_index(self)
11752 def get_version_info(self):
11753 r"""get_version_info(SingletonRestraint self) -> VersionInfo"""
11754 return _IMP_core.SingletonRestraint_get_version_info(self)
11755 __swig_destroy__ = _IMP_core.delete_SingletonRestraint
11758 r"""__str__(SingletonRestraint self) -> std::string"""
11759 return _IMP_core.SingletonRestraint___str__(self)
11761 def __repr__(self):
11762 r"""__repr__(SingletonRestraint self) -> std::string"""
11763 return _IMP_core.SingletonRestraint___repr__(self)
11767 return _object_cast_to_SingletonRestraint(o)
11770 def _get_as_binary(self):
11771 r"""_get_as_binary(SingletonRestraint self) -> PyObject *"""
11772 return _IMP_core.SingletonRestraint__get_as_binary(self)
11774 def _set_from_binary(self, p):
11775 r"""_set_from_binary(SingletonRestraint self, PyObject * p)"""
11776 return _IMP_core.SingletonRestraint__set_from_binary(self, p)
11778 def __getstate__(self):
11779 p = self._get_as_binary()
11780 if len(self.__dict__) > 1:
11781 d = self.__dict__.copy()
11786 def __setstate__(self, p):
11787 if not hasattr(self,
'this'):
11789 if isinstance(p, tuple):
11791 self.__dict__.update(d)
11792 return self._set_from_binary(p)
11795 def _get_jax(self):
11796 from .
import _jax_util
11797 return _jax_util._get_jax_restraint(self)
11801 _IMP_core.SingletonRestraint_swigregister(SingletonRestraint)
11803 r"""Proxy of C++ IMP::core::TripletRestraint class."""
11805 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11807 def __init__(self, *args):
11809 __init__(TripletRestraint self, Model m, TripletScore ss, IMP::ParticleIndexTriplet const & vt, std::string name="TripletRestraint %1%") -> TripletRestraint
11810 __init__(TripletRestraint self) -> TripletRestraint
11812 _IMP_core.TripletRestraint_swiginit(self, _IMP_core.new_TripletRestraint(*args))
11814 def get_score_object(self):
11815 r"""get_score_object(TripletRestraint self) -> TripletScore"""
11816 return _IMP_core.TripletRestraint_get_score_object(self)
11819 r"""get_index(TripletRestraint self) -> IMP::TripletScore::IndexArgument"""
11820 return _IMP_core.TripletRestraint_get_index(self)
11822 def get_version_info(self):
11823 r"""get_version_info(TripletRestraint self) -> VersionInfo"""
11824 return _IMP_core.TripletRestraint_get_version_info(self)
11825 __swig_destroy__ = _IMP_core.delete_TripletRestraint
11828 r"""__str__(TripletRestraint self) -> std::string"""
11829 return _IMP_core.TripletRestraint___str__(self)
11831 def __repr__(self):
11832 r"""__repr__(TripletRestraint self) -> std::string"""
11833 return _IMP_core.TripletRestraint___repr__(self)
11837 return _object_cast_to_TripletRestraint(o)
11840 def _get_as_binary(self):
11841 r"""_get_as_binary(TripletRestraint self) -> PyObject *"""
11842 return _IMP_core.TripletRestraint__get_as_binary(self)
11844 def _set_from_binary(self, p):
11845 r"""_set_from_binary(TripletRestraint self, PyObject * p)"""
11846 return _IMP_core.TripletRestraint__set_from_binary(self, p)
11848 def __getstate__(self):
11849 p = self._get_as_binary()
11850 if len(self.__dict__) > 1:
11851 d = self.__dict__.copy()
11856 def __setstate__(self, p):
11857 if not hasattr(self,
'this'):
11859 if isinstance(p, tuple):
11861 self.__dict__.update(d)
11862 return self._set_from_binary(p)
11866 _IMP_core.TripletRestraint_swigregister(TripletRestraint)
11868 r"""Proxy of C++ IMP::core::QuadRestraint class."""
11870 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11872 def __init__(self, *args):
11874 __init__(QuadRestraint self, Model m, QuadScore ss, IMP::ParticleIndexQuad const & vt, std::string name="QuadRestraint %1%") -> QuadRestraint
11875 __init__(QuadRestraint self) -> QuadRestraint
11877 _IMP_core.QuadRestraint_swiginit(self, _IMP_core.new_QuadRestraint(*args))
11879 def get_score_object(self):
11880 r"""get_score_object(QuadRestraint self) -> QuadScore"""
11881 return _IMP_core.QuadRestraint_get_score_object(self)
11884 r"""get_index(QuadRestraint self) -> IMP::QuadScore::IndexArgument"""
11885 return _IMP_core.QuadRestraint_get_index(self)
11887 def get_version_info(self):
11888 r"""get_version_info(QuadRestraint self) -> VersionInfo"""
11889 return _IMP_core.QuadRestraint_get_version_info(self)
11890 __swig_destroy__ = _IMP_core.delete_QuadRestraint
11893 r"""__str__(QuadRestraint self) -> std::string"""
11894 return _IMP_core.QuadRestraint___str__(self)
11896 def __repr__(self):
11897 r"""__repr__(QuadRestraint self) -> std::string"""
11898 return _IMP_core.QuadRestraint___repr__(self)
11902 return _object_cast_to_QuadRestraint(o)
11905 def _get_as_binary(self):
11906 r"""_get_as_binary(QuadRestraint self) -> PyObject *"""
11907 return _IMP_core.QuadRestraint__get_as_binary(self)
11909 def _set_from_binary(self, p):
11910 r"""_set_from_binary(QuadRestraint self, PyObject * p)"""
11911 return _IMP_core.QuadRestraint__set_from_binary(self, p)
11913 def __getstate__(self):
11914 p = self._get_as_binary()
11915 if len(self.__dict__) > 1:
11916 d = self.__dict__.copy()
11921 def __setstate__(self, p):
11922 if not hasattr(self,
'this'):
11924 if isinstance(p, tuple):
11926 self.__dict__.update(d)
11927 return self._set_from_binary(p)
11931 _IMP_core.QuadRestraint_swigregister(QuadRestraint)
11933 r"""Proxy of C++ IMP::core::SingletonConstraint class."""
11935 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11937 def __init__(self, *args):
11939 __init__(SingletonConstraint self, SingletonModifier before, SingletonModifier after, Model m, ParticleIndex vt, std::string name="SingletonConstraint %1%", bool can_skip=False) -> SingletonConstraint
11940 __init__(SingletonConstraint self) -> SingletonConstraint
11942 _IMP_core.SingletonConstraint_swiginit(self, _IMP_core.new_SingletonConstraint(*args))
11944 def get_before_modifier(self):
11945 r"""get_before_modifier(SingletonConstraint self) -> SingletonModifier"""
11946 return _IMP_core.SingletonConstraint_get_before_modifier(self)
11949 r"""get_index(SingletonConstraint self) -> ParticleIndex"""
11950 return _IMP_core.SingletonConstraint_get_index(self)
11952 def get_version_info(self):
11953 r"""get_version_info(SingletonConstraint self) -> VersionInfo"""
11954 return _IMP_core.SingletonConstraint_get_version_info(self)
11955 __swig_destroy__ = _IMP_core.delete_SingletonConstraint
11958 r"""__str__(SingletonConstraint self) -> std::string"""
11959 return _IMP_core.SingletonConstraint___str__(self)
11961 def __repr__(self):
11962 r"""__repr__(SingletonConstraint self) -> std::string"""
11963 return _IMP_core.SingletonConstraint___repr__(self)
11967 return _object_cast_to_SingletonConstraint(o)
11970 def _get_as_binary(self):
11971 r"""_get_as_binary(SingletonConstraint self) -> PyObject *"""
11972 return _IMP_core.SingletonConstraint__get_as_binary(self)
11974 def _set_from_binary(self, p):
11975 r"""_set_from_binary(SingletonConstraint self, PyObject * p)"""
11976 return _IMP_core.SingletonConstraint__set_from_binary(self, p)
11978 def __getstate__(self):
11979 p = self._get_as_binary()
11980 if len(self.__dict__) > 1:
11981 d = self.__dict__.copy()
11986 def __setstate__(self, p):
11987 if not hasattr(self,
'this'):
11989 if isinstance(p, tuple):
11991 self.__dict__.update(d)
11992 return self._set_from_binary(p)
11995 def _get_jax(self):
11996 import jax.numpy
as jnp
11997 indexes = jnp.array([self.get_index()])
11998 mod = self.get_before_modifier().get_derived_object()
11999 ji = mod._get_jax(self.get_model(), indexes)
12000 return self._wrap_jax(ji.apply_func, keys=ji._keys)
12004 _IMP_core.SingletonConstraint_swigregister(SingletonConstraint)
12006 r"""Proxy of C++ IMP::core::PairConstraint class."""
12008 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12010 def __init__(self, *args):
12012 __init__(PairConstraint self, PairModifier before, PairModifier after, Model m, IMP::ParticleIndexPair const & vt, std::string name="PairConstraint %1%", bool can_skip=False) -> PairConstraint
12013 __init__(PairConstraint self) -> PairConstraint
12015 _IMP_core.PairConstraint_swiginit(self, _IMP_core.new_PairConstraint(*args))
12017 def get_before_modifier(self):
12018 r"""get_before_modifier(PairConstraint self) -> PairModifier"""
12019 return _IMP_core.PairConstraint_get_before_modifier(self)
12022 r"""get_index(PairConstraint self) -> IMP::PairModifier::IndexArgument"""
12023 return _IMP_core.PairConstraint_get_index(self)
12025 def get_version_info(self):
12026 r"""get_version_info(PairConstraint self) -> VersionInfo"""
12027 return _IMP_core.PairConstraint_get_version_info(self)
12028 __swig_destroy__ = _IMP_core.delete_PairConstraint
12031 r"""__str__(PairConstraint self) -> std::string"""
12032 return _IMP_core.PairConstraint___str__(self)
12034 def __repr__(self):
12035 r"""__repr__(PairConstraint self) -> std::string"""
12036 return _IMP_core.PairConstraint___repr__(self)
12040 return _object_cast_to_PairConstraint(o)
12043 def _get_as_binary(self):
12044 r"""_get_as_binary(PairConstraint self) -> PyObject *"""
12045 return _IMP_core.PairConstraint__get_as_binary(self)
12047 def _set_from_binary(self, p):
12048 r"""_set_from_binary(PairConstraint self, PyObject * p)"""
12049 return _IMP_core.PairConstraint__set_from_binary(self, p)
12051 def __getstate__(self):
12052 p = self._get_as_binary()
12053 if len(self.__dict__) > 1:
12054 d = self.__dict__.copy()
12059 def __setstate__(self, p):
12060 if not hasattr(self,
'this'):
12062 if isinstance(p, tuple):
12064 self.__dict__.update(d)
12065 return self._set_from_binary(p)
12069 _IMP_core.PairConstraint_swigregister(PairConstraint)
12071 r"""Proxy of C++ IMP::core::TripletConstraint class."""
12073 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12075 def __init__(self, *args):
12077 __init__(TripletConstraint self, TripletModifier before, TripletModifier after, Model m, IMP::ParticleIndexTriplet const & vt, std::string name="TripletConstraint %1%", bool can_skip=False) -> TripletConstraint
12078 __init__(TripletConstraint self) -> TripletConstraint
12080 _IMP_core.TripletConstraint_swiginit(self, _IMP_core.new_TripletConstraint(*args))
12082 def get_before_modifier(self):
12083 r"""get_before_modifier(TripletConstraint self) -> TripletModifier"""
12084 return _IMP_core.TripletConstraint_get_before_modifier(self)
12087 r"""get_index(TripletConstraint self) -> IMP::TripletModifier::IndexArgument"""
12088 return _IMP_core.TripletConstraint_get_index(self)
12090 def get_version_info(self):
12091 r"""get_version_info(TripletConstraint self) -> VersionInfo"""
12092 return _IMP_core.TripletConstraint_get_version_info(self)
12093 __swig_destroy__ = _IMP_core.delete_TripletConstraint
12096 r"""__str__(TripletConstraint self) -> std::string"""
12097 return _IMP_core.TripletConstraint___str__(self)
12099 def __repr__(self):
12100 r"""__repr__(TripletConstraint self) -> std::string"""
12101 return _IMP_core.TripletConstraint___repr__(self)
12105 return _object_cast_to_TripletConstraint(o)
12108 def _get_as_binary(self):
12109 r"""_get_as_binary(TripletConstraint self) -> PyObject *"""
12110 return _IMP_core.TripletConstraint__get_as_binary(self)
12112 def _set_from_binary(self, p):
12113 r"""_set_from_binary(TripletConstraint self, PyObject * p)"""
12114 return _IMP_core.TripletConstraint__set_from_binary(self, p)
12116 def __getstate__(self):
12117 p = self._get_as_binary()
12118 if len(self.__dict__) > 1:
12119 d = self.__dict__.copy()
12124 def __setstate__(self, p):
12125 if not hasattr(self,
'this'):
12127 if isinstance(p, tuple):
12129 self.__dict__.update(d)
12130 return self._set_from_binary(p)
12134 _IMP_core.TripletConstraint_swigregister(TripletConstraint)
12136 r"""Proxy of C++ IMP::core::QuadConstraint class."""
12138 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12140 def __init__(self, *args):
12142 __init__(QuadConstraint self, QuadModifier before, QuadModifier after, Model m, IMP::ParticleIndexQuad const & vt, std::string name="QuadConstraint %1%", bool can_skip=False) -> QuadConstraint
12143 __init__(QuadConstraint self) -> QuadConstraint
12145 _IMP_core.QuadConstraint_swiginit(self, _IMP_core.new_QuadConstraint(*args))
12147 def get_before_modifier(self):
12148 r"""get_before_modifier(QuadConstraint self) -> QuadModifier"""
12149 return _IMP_core.QuadConstraint_get_before_modifier(self)
12152 r"""get_index(QuadConstraint self) -> IMP::QuadModifier::IndexArgument"""
12153 return _IMP_core.QuadConstraint_get_index(self)
12155 def get_version_info(self):
12156 r"""get_version_info(QuadConstraint self) -> VersionInfo"""
12157 return _IMP_core.QuadConstraint_get_version_info(self)
12158 __swig_destroy__ = _IMP_core.delete_QuadConstraint
12161 r"""__str__(QuadConstraint self) -> std::string"""
12162 return _IMP_core.QuadConstraint___str__(self)
12164 def __repr__(self):
12165 r"""__repr__(QuadConstraint self) -> std::string"""
12166 return _IMP_core.QuadConstraint___repr__(self)
12170 return _object_cast_to_QuadConstraint(o)
12173 def _get_as_binary(self):
12174 r"""_get_as_binary(QuadConstraint self) -> PyObject *"""
12175 return _IMP_core.QuadConstraint__get_as_binary(self)
12177 def _set_from_binary(self, p):
12178 r"""_set_from_binary(QuadConstraint self, PyObject * p)"""
12179 return _IMP_core.QuadConstraint__set_from_binary(self, p)
12181 def __getstate__(self):
12182 p = self._get_as_binary()
12183 if len(self.__dict__) > 1:
12184 d = self.__dict__.copy()
12189 def __setstate__(self, p):
12190 if not hasattr(self,
'this'):
12192 if isinstance(p, tuple):
12194 self.__dict__.update(d)
12195 return self._set_from_binary(p)
12199 _IMP_core.QuadConstraint_swigregister(QuadConstraint)
12201 r"""Proxy of C++ IMP::core::ConstantSingletonPredicate class."""
12203 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12205 def __init__(self, *args):
12207 __init__(ConstantSingletonPredicate self, int v, std::string name="ConstSingletonPredicate%1%") -> ConstantSingletonPredicate
12208 __init__(ConstantSingletonPredicate self) -> ConstantSingletonPredicate
12210 _IMP_core.ConstantSingletonPredicate_swiginit(self, _IMP_core.new_ConstantSingletonPredicate(*args))
12212 def do_get_inputs(self, arg2, arg3):
12213 r"""do_get_inputs(ConstantSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12214 return _IMP_core.ConstantSingletonPredicate_do_get_inputs(self, arg2, arg3)
12216 def get_value(self, *args):
12218 get_value(ConstantSingletonPredicate self, Particle a) -> int
12219 get_value(ConstantSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12221 return _IMP_core.ConstantSingletonPredicate_get_value(self, *args)
12223 def get_value_index(self, *args):
12225 get_value_index(ConstantSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
12226 get_value_index(ConstantSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12228 return _IMP_core.ConstantSingletonPredicate_get_value_index(self, *args)
12230 def get_version_info(self):
12231 r"""get_version_info(ConstantSingletonPredicate self) -> VersionInfo"""
12232 return _IMP_core.ConstantSingletonPredicate_get_version_info(self)
12233 __swig_destroy__ = _IMP_core.delete_ConstantSingletonPredicate
12236 r"""__str__(ConstantSingletonPredicate self) -> std::string"""
12237 return _IMP_core.ConstantSingletonPredicate___str__(self)
12239 def __repr__(self):
12240 r"""__repr__(ConstantSingletonPredicate self) -> std::string"""
12241 return _IMP_core.ConstantSingletonPredicate___repr__(self)
12245 return _object_cast_to_ConstantSingletonPredicate(o)
12248 def _get_as_binary(self):
12249 r"""_get_as_binary(ConstantSingletonPredicate self) -> PyObject *"""
12250 return _IMP_core.ConstantSingletonPredicate__get_as_binary(self)
12252 def _set_from_binary(self, p):
12253 r"""_set_from_binary(ConstantSingletonPredicate self, PyObject * p)"""
12254 return _IMP_core.ConstantSingletonPredicate__set_from_binary(self, p)
12256 def __getstate__(self):
12257 p = self._get_as_binary()
12258 if len(self.__dict__) > 1:
12259 d = self.__dict__.copy()
12264 def __setstate__(self, p):
12265 if not hasattr(self,
'this'):
12267 if isinstance(p, tuple):
12269 self.__dict__.update(d)
12270 return self._set_from_binary(p)
12274 _IMP_core.ConstantSingletonPredicate_swigregister(ConstantSingletonPredicate)
12276 r"""Proxy of C++ IMP::core::UnorderedTypeSingletonPredicate class."""
12278 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12280 def __init__(self, *args):
12281 r"""__init__(UnorderedTypeSingletonPredicate self, std::string name="UnorderedTypeSingletonPredicate%1%") -> UnorderedTypeSingletonPredicate"""
12282 _IMP_core.UnorderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_UnorderedTypeSingletonPredicate(*args))
12284 def do_get_inputs(self, m, pis):
12285 r"""do_get_inputs(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12286 return _IMP_core.UnorderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
12288 def get_value(self, *args):
12290 get_value(UnorderedTypeSingletonPredicate self, Particle a) -> int
12291 get_value(UnorderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12293 return _IMP_core.UnorderedTypeSingletonPredicate_get_value(self, *args)
12295 def get_value_index(self, *args):
12297 get_value_index(UnorderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
12298 get_value_index(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12300 return _IMP_core.UnorderedTypeSingletonPredicate_get_value_index(self, *args)
12302 def get_version_info(self):
12303 r"""get_version_info(UnorderedTypeSingletonPredicate self) -> VersionInfo"""
12304 return _IMP_core.UnorderedTypeSingletonPredicate_get_version_info(self)
12305 __swig_destroy__ = _IMP_core.delete_UnorderedTypeSingletonPredicate
12308 r"""__str__(UnorderedTypeSingletonPredicate self) -> std::string"""
12309 return _IMP_core.UnorderedTypeSingletonPredicate___str__(self)
12311 def __repr__(self):
12312 r"""__repr__(UnorderedTypeSingletonPredicate self) -> std::string"""
12313 return _IMP_core.UnorderedTypeSingletonPredicate___repr__(self)
12317 return _object_cast_to_UnorderedTypeSingletonPredicate(o)
12320 def _get_as_binary(self):
12321 r"""_get_as_binary(UnorderedTypeSingletonPredicate self) -> PyObject *"""
12322 return _IMP_core.UnorderedTypeSingletonPredicate__get_as_binary(self)
12324 def _set_from_binary(self, p):
12325 r"""_set_from_binary(UnorderedTypeSingletonPredicate self, PyObject * p)"""
12326 return _IMP_core.UnorderedTypeSingletonPredicate__set_from_binary(self, p)
12328 def __getstate__(self):
12329 p = self._get_as_binary()
12330 if len(self.__dict__) > 1:
12331 d = self.__dict__.copy()
12336 def __setstate__(self, p):
12337 if not hasattr(self,
'this'):
12339 if isinstance(p, tuple):
12341 self.__dict__.update(d)
12342 return self._set_from_binary(p)
12346 _IMP_core.UnorderedTypeSingletonPredicate_swigregister(UnorderedTypeSingletonPredicate)
12348 r"""Proxy of C++ IMP::core::OrderedTypeSingletonPredicate class."""
12350 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12352 def __init__(self, *args):
12353 r"""__init__(OrderedTypeSingletonPredicate self, std::string name="OrderedTypeSingletonPredicate%1%") -> OrderedTypeSingletonPredicate"""
12354 _IMP_core.OrderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_OrderedTypeSingletonPredicate(*args))
12356 def do_get_inputs(self, m, pis):
12357 r"""do_get_inputs(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12358 return _IMP_core.OrderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
12360 def get_value(self, *args):
12362 get_value(OrderedTypeSingletonPredicate self, IMP::core::ParticleTypes const & types) -> int
12363 get_value(OrderedTypeSingletonPredicate self, Particle a) -> int
12364 get_value(OrderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12366 return _IMP_core.OrderedTypeSingletonPredicate_get_value(self, *args)
12368 def get_value_index(self, *args):
12370 get_value_index(OrderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
12371 get_value_index(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12373 return _IMP_core.OrderedTypeSingletonPredicate_get_value_index(self, *args)
12375 def get_version_info(self):
12376 r"""get_version_info(OrderedTypeSingletonPredicate self) -> VersionInfo"""
12377 return _IMP_core.OrderedTypeSingletonPredicate_get_version_info(self)
12378 __swig_destroy__ = _IMP_core.delete_OrderedTypeSingletonPredicate
12381 r"""__str__(OrderedTypeSingletonPredicate self) -> std::string"""
12382 return _IMP_core.OrderedTypeSingletonPredicate___str__(self)
12384 def __repr__(self):
12385 r"""__repr__(OrderedTypeSingletonPredicate self) -> std::string"""
12386 return _IMP_core.OrderedTypeSingletonPredicate___repr__(self)
12390 return _object_cast_to_OrderedTypeSingletonPredicate(o)
12394 _IMP_core.OrderedTypeSingletonPredicate_swigregister(OrderedTypeSingletonPredicate)
12396 r"""Proxy of C++ IMP::core::AllSameSingletonPredicate class."""
12398 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12400 def __init__(self, *args):
12401 r"""__init__(AllSameSingletonPredicate self, std::string name="AllSameSingletonPredicate%1%") -> AllSameSingletonPredicate"""
12402 _IMP_core.AllSameSingletonPredicate_swiginit(self, _IMP_core.new_AllSameSingletonPredicate(*args))
12404 def do_get_inputs(self, arg2, arg3):
12405 r"""do_get_inputs(AllSameSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12406 return _IMP_core.AllSameSingletonPredicate_do_get_inputs(self, arg2, arg3)
12408 def get_value(self, *args):
12410 get_value(AllSameSingletonPredicate self, Particle a) -> int
12411 get_value(AllSameSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12413 return _IMP_core.AllSameSingletonPredicate_get_value(self, *args)
12415 def get_value_index(self, *args):
12417 get_value_index(AllSameSingletonPredicate self, Model m, ParticleIndex pi) -> int
12418 get_value_index(AllSameSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12420 return _IMP_core.AllSameSingletonPredicate_get_value_index(self, *args)
12422 def get_version_info(self):
12423 r"""get_version_info(AllSameSingletonPredicate self) -> VersionInfo"""
12424 return _IMP_core.AllSameSingletonPredicate_get_version_info(self)
12425 __swig_destroy__ = _IMP_core.delete_AllSameSingletonPredicate
12428 r"""__str__(AllSameSingletonPredicate self) -> std::string"""
12429 return _IMP_core.AllSameSingletonPredicate___str__(self)
12431 def __repr__(self):
12432 r"""__repr__(AllSameSingletonPredicate self) -> std::string"""
12433 return _IMP_core.AllSameSingletonPredicate___repr__(self)
12437 return _object_cast_to_AllSameSingletonPredicate(o)
12440 def _get_as_binary(self):
12441 r"""_get_as_binary(AllSameSingletonPredicate self) -> PyObject *"""
12442 return _IMP_core.AllSameSingletonPredicate__get_as_binary(self)
12444 def _set_from_binary(self, p):
12445 r"""_set_from_binary(AllSameSingletonPredicate self, PyObject * p)"""
12446 return _IMP_core.AllSameSingletonPredicate__set_from_binary(self, p)
12448 def __getstate__(self):
12449 p = self._get_as_binary()
12450 if len(self.__dict__) > 1:
12451 d = self.__dict__.copy()
12456 def __setstate__(self, p):
12457 if not hasattr(self,
'this'):
12459 if isinstance(p, tuple):
12461 self.__dict__.update(d)
12462 return self._set_from_binary(p)
12466 _IMP_core.AllSameSingletonPredicate_swigregister(AllSameSingletonPredicate)
12468 r"""Proxy of C++ IMP::core::CoinFlipSingletonPredicate class."""
12470 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12472 def __init__(self, *args):
12473 r"""__init__(CoinFlipSingletonPredicate self, double p, std::string name="CoinFlipSingletonPredicate%1%") -> CoinFlipSingletonPredicate"""
12474 _IMP_core.CoinFlipSingletonPredicate_swiginit(self, _IMP_core.new_CoinFlipSingletonPredicate(*args))
12476 def do_get_inputs(self, arg2, arg3):
12477 r"""do_get_inputs(CoinFlipSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12478 return _IMP_core.CoinFlipSingletonPredicate_do_get_inputs(self, arg2, arg3)
12480 def get_value(self, *args):
12482 get_value(CoinFlipSingletonPredicate self, Particle a) -> int
12483 get_value(CoinFlipSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12485 return _IMP_core.CoinFlipSingletonPredicate_get_value(self, *args)
12487 def get_value_index(self, *args):
12489 get_value_index(CoinFlipSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
12490 get_value_index(CoinFlipSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12492 return _IMP_core.CoinFlipSingletonPredicate_get_value_index(self, *args)
12494 def get_version_info(self):
12495 r"""get_version_info(CoinFlipSingletonPredicate self) -> VersionInfo"""
12496 return _IMP_core.CoinFlipSingletonPredicate_get_version_info(self)
12497 __swig_destroy__ = _IMP_core.delete_CoinFlipSingletonPredicate
12500 r"""__str__(CoinFlipSingletonPredicate self) -> std::string"""
12501 return _IMP_core.CoinFlipSingletonPredicate___str__(self)
12503 def __repr__(self):
12504 r"""__repr__(CoinFlipSingletonPredicate self) -> std::string"""
12505 return _IMP_core.CoinFlipSingletonPredicate___repr__(self)
12509 return _object_cast_to_CoinFlipSingletonPredicate(o)
12513 _IMP_core.CoinFlipSingletonPredicate_swigregister(CoinFlipSingletonPredicate)
12515 r"""Proxy of C++ IMP::core::ConstantPairPredicate class."""
12517 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12519 def __init__(self, *args):
12521 __init__(ConstantPairPredicate self, int v, std::string name="ConstPairPredicate%1%") -> ConstantPairPredicate
12522 __init__(ConstantPairPredicate self) -> ConstantPairPredicate
12524 _IMP_core.ConstantPairPredicate_swiginit(self, _IMP_core.new_ConstantPairPredicate(*args))
12526 def do_get_inputs(self, arg2, arg3):
12527 r"""do_get_inputs(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12528 return _IMP_core.ConstantPairPredicate_do_get_inputs(self, arg2, arg3)
12530 def get_value(self, *args):
12532 get_value(ConstantPairPredicate self, IMP::ParticlePair const & a) -> int
12533 get_value(ConstantPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12535 return _IMP_core.ConstantPairPredicate_get_value(self, *args)
12537 def get_value_index(self, *args):
12539 get_value_index(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
12540 get_value_index(ConstantPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12542 return _IMP_core.ConstantPairPredicate_get_value_index(self, *args)
12544 def get_version_info(self):
12545 r"""get_version_info(ConstantPairPredicate self) -> VersionInfo"""
12546 return _IMP_core.ConstantPairPredicate_get_version_info(self)
12547 __swig_destroy__ = _IMP_core.delete_ConstantPairPredicate
12550 r"""__str__(ConstantPairPredicate self) -> std::string"""
12551 return _IMP_core.ConstantPairPredicate___str__(self)
12553 def __repr__(self):
12554 r"""__repr__(ConstantPairPredicate self) -> std::string"""
12555 return _IMP_core.ConstantPairPredicate___repr__(self)
12559 return _object_cast_to_ConstantPairPredicate(o)
12562 def _get_as_binary(self):
12563 r"""_get_as_binary(ConstantPairPredicate self) -> PyObject *"""
12564 return _IMP_core.ConstantPairPredicate__get_as_binary(self)
12566 def _set_from_binary(self, p):
12567 r"""_set_from_binary(ConstantPairPredicate self, PyObject * p)"""
12568 return _IMP_core.ConstantPairPredicate__set_from_binary(self, p)
12570 def __getstate__(self):
12571 p = self._get_as_binary()
12572 if len(self.__dict__) > 1:
12573 d = self.__dict__.copy()
12578 def __setstate__(self, p):
12579 if not hasattr(self,
'this'):
12581 if isinstance(p, tuple):
12583 self.__dict__.update(d)
12584 return self._set_from_binary(p)
12588 _IMP_core.ConstantPairPredicate_swigregister(ConstantPairPredicate)
12590 r"""Proxy of C++ IMP::core::UnorderedTypePairPredicate class."""
12592 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12594 def __init__(self, *args):
12595 r"""__init__(UnorderedTypePairPredicate self, std::string name="UnorderedTypePairPredicate%1%") -> UnorderedTypePairPredicate"""
12596 _IMP_core.UnorderedTypePairPredicate_swiginit(self, _IMP_core.new_UnorderedTypePairPredicate(*args))
12598 def do_get_inputs(self, m, pis):
12599 r"""do_get_inputs(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12600 return _IMP_core.UnorderedTypePairPredicate_do_get_inputs(self, m, pis)
12602 def get_value(self, *args):
12604 get_value(UnorderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12605 get_value(UnorderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12607 return _IMP_core.UnorderedTypePairPredicate_get_value(self, *args)
12609 def get_value_index(self, *args):
12611 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12612 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12614 return _IMP_core.UnorderedTypePairPredicate_get_value_index(self, *args)
12616 def get_version_info(self):
12617 r"""get_version_info(UnorderedTypePairPredicate self) -> VersionInfo"""
12618 return _IMP_core.UnorderedTypePairPredicate_get_version_info(self)
12619 __swig_destroy__ = _IMP_core.delete_UnorderedTypePairPredicate
12622 r"""__str__(UnorderedTypePairPredicate self) -> std::string"""
12623 return _IMP_core.UnorderedTypePairPredicate___str__(self)
12625 def __repr__(self):
12626 r"""__repr__(UnorderedTypePairPredicate self) -> std::string"""
12627 return _IMP_core.UnorderedTypePairPredicate___repr__(self)
12631 return _object_cast_to_UnorderedTypePairPredicate(o)
12634 def _get_as_binary(self):
12635 r"""_get_as_binary(UnorderedTypePairPredicate self) -> PyObject *"""
12636 return _IMP_core.UnorderedTypePairPredicate__get_as_binary(self)
12638 def _set_from_binary(self, p):
12639 r"""_set_from_binary(UnorderedTypePairPredicate self, PyObject * p)"""
12640 return _IMP_core.UnorderedTypePairPredicate__set_from_binary(self, p)
12642 def __getstate__(self):
12643 p = self._get_as_binary()
12644 if len(self.__dict__) > 1:
12645 d = self.__dict__.copy()
12650 def __setstate__(self, p):
12651 if not hasattr(self,
'this'):
12653 if isinstance(p, tuple):
12655 self.__dict__.update(d)
12656 return self._set_from_binary(p)
12660 _IMP_core.UnorderedTypePairPredicate_swigregister(UnorderedTypePairPredicate)
12662 r"""Proxy of C++ IMP::core::OrderedTypePairPredicate class."""
12664 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12666 def __init__(self, *args):
12667 r"""__init__(OrderedTypePairPredicate self, std::string name="OrderedTypePairPredicate%1%") -> OrderedTypePairPredicate"""
12668 _IMP_core.OrderedTypePairPredicate_swiginit(self, _IMP_core.new_OrderedTypePairPredicate(*args))
12670 def do_get_inputs(self, m, pis):
12671 r"""do_get_inputs(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12672 return _IMP_core.OrderedTypePairPredicate_do_get_inputs(self, m, pis)
12674 def get_value(self, *args):
12676 get_value(OrderedTypePairPredicate self, IMP::core::ParticleTypes const & types) -> int
12677 get_value(OrderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12678 get_value(OrderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12680 return _IMP_core.OrderedTypePairPredicate_get_value(self, *args)
12682 def get_value_index(self, *args):
12684 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12685 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12687 return _IMP_core.OrderedTypePairPredicate_get_value_index(self, *args)
12689 def get_version_info(self):
12690 r"""get_version_info(OrderedTypePairPredicate self) -> VersionInfo"""
12691 return _IMP_core.OrderedTypePairPredicate_get_version_info(self)
12692 __swig_destroy__ = _IMP_core.delete_OrderedTypePairPredicate
12695 r"""__str__(OrderedTypePairPredicate self) -> std::string"""
12696 return _IMP_core.OrderedTypePairPredicate___str__(self)
12698 def __repr__(self):
12699 r"""__repr__(OrderedTypePairPredicate self) -> std::string"""
12700 return _IMP_core.OrderedTypePairPredicate___repr__(self)
12704 return _object_cast_to_OrderedTypePairPredicate(o)
12708 _IMP_core.OrderedTypePairPredicate_swigregister(OrderedTypePairPredicate)
12710 r"""Proxy of C++ IMP::core::AllSamePairPredicate class."""
12712 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12714 def __init__(self, *args):
12715 r"""__init__(AllSamePairPredicate self, std::string name="AllSamePairPredicate%1%") -> AllSamePairPredicate"""
12716 _IMP_core.AllSamePairPredicate_swiginit(self, _IMP_core.new_AllSamePairPredicate(*args))
12718 def do_get_inputs(self, arg2, arg3):
12719 r"""do_get_inputs(AllSamePairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12720 return _IMP_core.AllSamePairPredicate_do_get_inputs(self, arg2, arg3)
12722 def get_value(self, *args):
12724 get_value(AllSamePairPredicate self, IMP::ParticlePair const & a) -> int
12725 get_value(AllSamePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12727 return _IMP_core.AllSamePairPredicate_get_value(self, *args)
12729 def get_value_index(self, *args):
12731 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12732 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12734 return _IMP_core.AllSamePairPredicate_get_value_index(self, *args)
12736 def get_version_info(self):
12737 r"""get_version_info(AllSamePairPredicate self) -> VersionInfo"""
12738 return _IMP_core.AllSamePairPredicate_get_version_info(self)
12739 __swig_destroy__ = _IMP_core.delete_AllSamePairPredicate
12742 r"""__str__(AllSamePairPredicate self) -> std::string"""
12743 return _IMP_core.AllSamePairPredicate___str__(self)
12745 def __repr__(self):
12746 r"""__repr__(AllSamePairPredicate self) -> std::string"""
12747 return _IMP_core.AllSamePairPredicate___repr__(self)
12751 return _object_cast_to_AllSamePairPredicate(o)
12754 def _get_as_binary(self):
12755 r"""_get_as_binary(AllSamePairPredicate self) -> PyObject *"""
12756 return _IMP_core.AllSamePairPredicate__get_as_binary(self)
12758 def _set_from_binary(self, p):
12759 r"""_set_from_binary(AllSamePairPredicate self, PyObject * p)"""
12760 return _IMP_core.AllSamePairPredicate__set_from_binary(self, p)
12762 def __getstate__(self):
12763 p = self._get_as_binary()
12764 if len(self.__dict__) > 1:
12765 d = self.__dict__.copy()
12770 def __setstate__(self, p):
12771 if not hasattr(self,
'this'):
12773 if isinstance(p, tuple):
12775 self.__dict__.update(d)
12776 return self._set_from_binary(p)
12780 _IMP_core.AllSamePairPredicate_swigregister(AllSamePairPredicate)
12782 r"""Proxy of C++ IMP::core::CoinFlipPairPredicate class."""
12784 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12786 def __init__(self, *args):
12787 r"""__init__(CoinFlipPairPredicate self, double p, std::string name="CoinFlipPairPredicate%1%") -> CoinFlipPairPredicate"""
12788 _IMP_core.CoinFlipPairPredicate_swiginit(self, _IMP_core.new_CoinFlipPairPredicate(*args))
12790 def do_get_inputs(self, arg2, arg3):
12791 r"""do_get_inputs(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12792 return _IMP_core.CoinFlipPairPredicate_do_get_inputs(self, arg2, arg3)
12794 def get_value(self, *args):
12796 get_value(CoinFlipPairPredicate self, IMP::ParticlePair const & a) -> int
12797 get_value(CoinFlipPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12799 return _IMP_core.CoinFlipPairPredicate_get_value(self, *args)
12801 def get_value_index(self, *args):
12803 get_value_index(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
12804 get_value_index(CoinFlipPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12806 return _IMP_core.CoinFlipPairPredicate_get_value_index(self, *args)
12808 def get_version_info(self):
12809 r"""get_version_info(CoinFlipPairPredicate self) -> VersionInfo"""
12810 return _IMP_core.CoinFlipPairPredicate_get_version_info(self)
12811 __swig_destroy__ = _IMP_core.delete_CoinFlipPairPredicate
12814 r"""__str__(CoinFlipPairPredicate self) -> std::string"""
12815 return _IMP_core.CoinFlipPairPredicate___str__(self)
12817 def __repr__(self):
12818 r"""__repr__(CoinFlipPairPredicate self) -> std::string"""
12819 return _IMP_core.CoinFlipPairPredicate___repr__(self)
12823 return _object_cast_to_CoinFlipPairPredicate(o)
12827 _IMP_core.CoinFlipPairPredicate_swigregister(CoinFlipPairPredicate)
12829 r"""Proxy of C++ IMP::core::ConstantTripletPredicate class."""
12831 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12833 def __init__(self, *args):
12835 __init__(ConstantTripletPredicate self, int v, std::string name="ConstTripletPredicate%1%") -> ConstantTripletPredicate
12836 __init__(ConstantTripletPredicate self) -> ConstantTripletPredicate
12838 _IMP_core.ConstantTripletPredicate_swiginit(self, _IMP_core.new_ConstantTripletPredicate(*args))
12840 def do_get_inputs(self, arg2, arg3):
12841 r"""do_get_inputs(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12842 return _IMP_core.ConstantTripletPredicate_do_get_inputs(self, arg2, arg3)
12844 def get_value(self, *args):
12846 get_value(ConstantTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12847 get_value(ConstantTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12849 return _IMP_core.ConstantTripletPredicate_get_value(self, *args)
12851 def get_value_index(self, *args):
12853 get_value_index(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
12854 get_value_index(ConstantTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12856 return _IMP_core.ConstantTripletPredicate_get_value_index(self, *args)
12858 def get_version_info(self):
12859 r"""get_version_info(ConstantTripletPredicate self) -> VersionInfo"""
12860 return _IMP_core.ConstantTripletPredicate_get_version_info(self)
12861 __swig_destroy__ = _IMP_core.delete_ConstantTripletPredicate
12864 r"""__str__(ConstantTripletPredicate self) -> std::string"""
12865 return _IMP_core.ConstantTripletPredicate___str__(self)
12867 def __repr__(self):
12868 r"""__repr__(ConstantTripletPredicate self) -> std::string"""
12869 return _IMP_core.ConstantTripletPredicate___repr__(self)
12873 return _object_cast_to_ConstantTripletPredicate(o)
12876 def _get_as_binary(self):
12877 r"""_get_as_binary(ConstantTripletPredicate self) -> PyObject *"""
12878 return _IMP_core.ConstantTripletPredicate__get_as_binary(self)
12880 def _set_from_binary(self, p):
12881 r"""_set_from_binary(ConstantTripletPredicate self, PyObject * p)"""
12882 return _IMP_core.ConstantTripletPredicate__set_from_binary(self, p)
12884 def __getstate__(self):
12885 p = self._get_as_binary()
12886 if len(self.__dict__) > 1:
12887 d = self.__dict__.copy()
12892 def __setstate__(self, p):
12893 if not hasattr(self,
'this'):
12895 if isinstance(p, tuple):
12897 self.__dict__.update(d)
12898 return self._set_from_binary(p)
12902 _IMP_core.ConstantTripletPredicate_swigregister(ConstantTripletPredicate)
12904 r"""Proxy of C++ IMP::core::UnorderedTypeTripletPredicate class."""
12906 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12908 def __init__(self, *args):
12909 r"""__init__(UnorderedTypeTripletPredicate self, std::string name="UnorderedTypeTripletPredicate%1%") -> UnorderedTypeTripletPredicate"""
12910 _IMP_core.UnorderedTypeTripletPredicate_swiginit(self, _IMP_core.new_UnorderedTypeTripletPredicate(*args))
12912 def do_get_inputs(self, m, pis):
12913 r"""do_get_inputs(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12914 return _IMP_core.UnorderedTypeTripletPredicate_do_get_inputs(self, m, pis)
12916 def get_value(self, *args):
12918 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12919 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12921 return _IMP_core.UnorderedTypeTripletPredicate_get_value(self, *args)
12923 def get_value_index(self, *args):
12925 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12926 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12928 return _IMP_core.UnorderedTypeTripletPredicate_get_value_index(self, *args)
12930 def get_version_info(self):
12931 r"""get_version_info(UnorderedTypeTripletPredicate self) -> VersionInfo"""
12932 return _IMP_core.UnorderedTypeTripletPredicate_get_version_info(self)
12933 __swig_destroy__ = _IMP_core.delete_UnorderedTypeTripletPredicate
12936 r"""__str__(UnorderedTypeTripletPredicate self) -> std::string"""
12937 return _IMP_core.UnorderedTypeTripletPredicate___str__(self)
12939 def __repr__(self):
12940 r"""__repr__(UnorderedTypeTripletPredicate self) -> std::string"""
12941 return _IMP_core.UnorderedTypeTripletPredicate___repr__(self)
12945 return _object_cast_to_UnorderedTypeTripletPredicate(o)
12948 def _get_as_binary(self):
12949 r"""_get_as_binary(UnorderedTypeTripletPredicate self) -> PyObject *"""
12950 return _IMP_core.UnorderedTypeTripletPredicate__get_as_binary(self)
12952 def _set_from_binary(self, p):
12953 r"""_set_from_binary(UnorderedTypeTripletPredicate self, PyObject * p)"""
12954 return _IMP_core.UnorderedTypeTripletPredicate__set_from_binary(self, p)
12956 def __getstate__(self):
12957 p = self._get_as_binary()
12958 if len(self.__dict__) > 1:
12959 d = self.__dict__.copy()
12964 def __setstate__(self, p):
12965 if not hasattr(self,
'this'):
12967 if isinstance(p, tuple):
12969 self.__dict__.update(d)
12970 return self._set_from_binary(p)
12974 _IMP_core.UnorderedTypeTripletPredicate_swigregister(UnorderedTypeTripletPredicate)
12976 r"""Proxy of C++ IMP::core::OrderedTypeTripletPredicate class."""
12978 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12980 def __init__(self, *args):
12981 r"""__init__(OrderedTypeTripletPredicate self, std::string name="OrderedTypeTripletPredicate%1%") -> OrderedTypeTripletPredicate"""
12982 _IMP_core.OrderedTypeTripletPredicate_swiginit(self, _IMP_core.new_OrderedTypeTripletPredicate(*args))
12984 def do_get_inputs(self, m, pis):
12985 r"""do_get_inputs(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12986 return _IMP_core.OrderedTypeTripletPredicate_do_get_inputs(self, m, pis)
12988 def get_value(self, *args):
12990 get_value(OrderedTypeTripletPredicate self, IMP::core::ParticleTypes const & types) -> int
12991 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12992 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12994 return _IMP_core.OrderedTypeTripletPredicate_get_value(self, *args)
12996 def get_value_index(self, *args):
12998 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12999 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
13001 return _IMP_core.OrderedTypeTripletPredicate_get_value_index(self, *args)
13003 def get_version_info(self):
13004 r"""get_version_info(OrderedTypeTripletPredicate self) -> VersionInfo"""
13005 return _IMP_core.OrderedTypeTripletPredicate_get_version_info(self)
13006 __swig_destroy__ = _IMP_core.delete_OrderedTypeTripletPredicate
13009 r"""__str__(OrderedTypeTripletPredicate self) -> std::string"""
13010 return _IMP_core.OrderedTypeTripletPredicate___str__(self)
13012 def __repr__(self):
13013 r"""__repr__(OrderedTypeTripletPredicate self) -> std::string"""
13014 return _IMP_core.OrderedTypeTripletPredicate___repr__(self)
13018 return _object_cast_to_OrderedTypeTripletPredicate(o)
13022 _IMP_core.OrderedTypeTripletPredicate_swigregister(OrderedTypeTripletPredicate)
13024 r"""Proxy of C++ IMP::core::AllSameTripletPredicate class."""
13026 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13028 def __init__(self, *args):
13029 r"""__init__(AllSameTripletPredicate self, std::string name="AllSameTripletPredicate%1%") -> AllSameTripletPredicate"""
13030 _IMP_core.AllSameTripletPredicate_swiginit(self, _IMP_core.new_AllSameTripletPredicate(*args))
13032 def do_get_inputs(self, arg2, arg3):
13033 r"""do_get_inputs(AllSameTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13034 return _IMP_core.AllSameTripletPredicate_do_get_inputs(self, arg2, arg3)
13036 def get_value(self, *args):
13038 get_value(AllSameTripletPredicate self, IMP::ParticleTriplet const & a) -> int
13039 get_value(AllSameTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
13041 return _IMP_core.AllSameTripletPredicate_get_value(self, *args)
13043 def get_value_index(self, *args):
13045 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
13046 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
13048 return _IMP_core.AllSameTripletPredicate_get_value_index(self, *args)
13050 def get_version_info(self):
13051 r"""get_version_info(AllSameTripletPredicate self) -> VersionInfo"""
13052 return _IMP_core.AllSameTripletPredicate_get_version_info(self)
13053 __swig_destroy__ = _IMP_core.delete_AllSameTripletPredicate
13056 r"""__str__(AllSameTripletPredicate self) -> std::string"""
13057 return _IMP_core.AllSameTripletPredicate___str__(self)
13059 def __repr__(self):
13060 r"""__repr__(AllSameTripletPredicate self) -> std::string"""
13061 return _IMP_core.AllSameTripletPredicate___repr__(self)
13065 return _object_cast_to_AllSameTripletPredicate(o)
13068 def _get_as_binary(self):
13069 r"""_get_as_binary(AllSameTripletPredicate self) -> PyObject *"""
13070 return _IMP_core.AllSameTripletPredicate__get_as_binary(self)
13072 def _set_from_binary(self, p):
13073 r"""_set_from_binary(AllSameTripletPredicate self, PyObject * p)"""
13074 return _IMP_core.AllSameTripletPredicate__set_from_binary(self, p)
13076 def __getstate__(self):
13077 p = self._get_as_binary()
13078 if len(self.__dict__) > 1:
13079 d = self.__dict__.copy()
13084 def __setstate__(self, p):
13085 if not hasattr(self,
'this'):
13087 if isinstance(p, tuple):
13089 self.__dict__.update(d)
13090 return self._set_from_binary(p)
13094 _IMP_core.AllSameTripletPredicate_swigregister(AllSameTripletPredicate)
13096 r"""Proxy of C++ IMP::core::CoinFlipTripletPredicate class."""
13098 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13100 def __init__(self, *args):
13101 r"""__init__(CoinFlipTripletPredicate self, double p, std::string name="CoinFlipTripletPredicate%1%") -> CoinFlipTripletPredicate"""
13102 _IMP_core.CoinFlipTripletPredicate_swiginit(self, _IMP_core.new_CoinFlipTripletPredicate(*args))
13104 def do_get_inputs(self, arg2, arg3):
13105 r"""do_get_inputs(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13106 return _IMP_core.CoinFlipTripletPredicate_do_get_inputs(self, arg2, arg3)
13108 def get_value(self, *args):
13110 get_value(CoinFlipTripletPredicate self, IMP::ParticleTriplet const & a) -> int
13111 get_value(CoinFlipTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
13113 return _IMP_core.CoinFlipTripletPredicate_get_value(self, *args)
13115 def get_value_index(self, *args):
13117 get_value_index(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
13118 get_value_index(CoinFlipTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
13120 return _IMP_core.CoinFlipTripletPredicate_get_value_index(self, *args)
13122 def get_version_info(self):
13123 r"""get_version_info(CoinFlipTripletPredicate self) -> VersionInfo"""
13124 return _IMP_core.CoinFlipTripletPredicate_get_version_info(self)
13125 __swig_destroy__ = _IMP_core.delete_CoinFlipTripletPredicate
13128 r"""__str__(CoinFlipTripletPredicate self) -> std::string"""
13129 return _IMP_core.CoinFlipTripletPredicate___str__(self)
13131 def __repr__(self):
13132 r"""__repr__(CoinFlipTripletPredicate self) -> std::string"""
13133 return _IMP_core.CoinFlipTripletPredicate___repr__(self)
13137 return _object_cast_to_CoinFlipTripletPredicate(o)
13141 _IMP_core.CoinFlipTripletPredicate_swigregister(CoinFlipTripletPredicate)
13143 r"""Proxy of C++ IMP::core::ConstantQuadPredicate class."""
13145 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13147 def __init__(self, *args):
13149 __init__(ConstantQuadPredicate self, int v, std::string name="ConstQuadPredicate%1%") -> ConstantQuadPredicate
13150 __init__(ConstantQuadPredicate self) -> ConstantQuadPredicate
13152 _IMP_core.ConstantQuadPredicate_swiginit(self, _IMP_core.new_ConstantQuadPredicate(*args))
13154 def do_get_inputs(self, arg2, arg3):
13155 r"""do_get_inputs(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13156 return _IMP_core.ConstantQuadPredicate_do_get_inputs(self, arg2, arg3)
13158 def get_value(self, *args):
13160 get_value(ConstantQuadPredicate self, IMP::ParticleQuad const & a) -> int
13161 get_value(ConstantQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13163 return _IMP_core.ConstantQuadPredicate_get_value(self, *args)
13165 def get_value_index(self, *args):
13167 get_value_index(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
13168 get_value_index(ConstantQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13170 return _IMP_core.ConstantQuadPredicate_get_value_index(self, *args)
13172 def get_version_info(self):
13173 r"""get_version_info(ConstantQuadPredicate self) -> VersionInfo"""
13174 return _IMP_core.ConstantQuadPredicate_get_version_info(self)
13175 __swig_destroy__ = _IMP_core.delete_ConstantQuadPredicate
13178 r"""__str__(ConstantQuadPredicate self) -> std::string"""
13179 return _IMP_core.ConstantQuadPredicate___str__(self)
13181 def __repr__(self):
13182 r"""__repr__(ConstantQuadPredicate self) -> std::string"""
13183 return _IMP_core.ConstantQuadPredicate___repr__(self)
13187 return _object_cast_to_ConstantQuadPredicate(o)
13190 def _get_as_binary(self):
13191 r"""_get_as_binary(ConstantQuadPredicate self) -> PyObject *"""
13192 return _IMP_core.ConstantQuadPredicate__get_as_binary(self)
13194 def _set_from_binary(self, p):
13195 r"""_set_from_binary(ConstantQuadPredicate self, PyObject * p)"""
13196 return _IMP_core.ConstantQuadPredicate__set_from_binary(self, p)
13198 def __getstate__(self):
13199 p = self._get_as_binary()
13200 if len(self.__dict__) > 1:
13201 d = self.__dict__.copy()
13206 def __setstate__(self, p):
13207 if not hasattr(self,
'this'):
13209 if isinstance(p, tuple):
13211 self.__dict__.update(d)
13212 return self._set_from_binary(p)
13216 _IMP_core.ConstantQuadPredicate_swigregister(ConstantQuadPredicate)
13218 r"""Proxy of C++ IMP::core::UnorderedTypeQuadPredicate class."""
13220 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13222 def __init__(self, *args):
13223 r"""__init__(UnorderedTypeQuadPredicate self, std::string name="UnorderedTypeQuadPredicate%1%") -> UnorderedTypeQuadPredicate"""
13224 _IMP_core.UnorderedTypeQuadPredicate_swiginit(self, _IMP_core.new_UnorderedTypeQuadPredicate(*args))
13226 def do_get_inputs(self, m, pis):
13227 r"""do_get_inputs(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13228 return _IMP_core.UnorderedTypeQuadPredicate_do_get_inputs(self, m, pis)
13230 def get_value(self, *args):
13232 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
13233 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13235 return _IMP_core.UnorderedTypeQuadPredicate_get_value(self, *args)
13237 def get_value_index(self, *args):
13239 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13240 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13242 return _IMP_core.UnorderedTypeQuadPredicate_get_value_index(self, *args)
13244 def get_version_info(self):
13245 r"""get_version_info(UnorderedTypeQuadPredicate self) -> VersionInfo"""
13246 return _IMP_core.UnorderedTypeQuadPredicate_get_version_info(self)
13247 __swig_destroy__ = _IMP_core.delete_UnorderedTypeQuadPredicate
13250 r"""__str__(UnorderedTypeQuadPredicate self) -> std::string"""
13251 return _IMP_core.UnorderedTypeQuadPredicate___str__(self)
13253 def __repr__(self):
13254 r"""__repr__(UnorderedTypeQuadPredicate self) -> std::string"""
13255 return _IMP_core.UnorderedTypeQuadPredicate___repr__(self)
13259 return _object_cast_to_UnorderedTypeQuadPredicate(o)
13262 def _get_as_binary(self):
13263 r"""_get_as_binary(UnorderedTypeQuadPredicate self) -> PyObject *"""
13264 return _IMP_core.UnorderedTypeQuadPredicate__get_as_binary(self)
13266 def _set_from_binary(self, p):
13267 r"""_set_from_binary(UnorderedTypeQuadPredicate self, PyObject * p)"""
13268 return _IMP_core.UnorderedTypeQuadPredicate__set_from_binary(self, p)
13270 def __getstate__(self):
13271 p = self._get_as_binary()
13272 if len(self.__dict__) > 1:
13273 d = self.__dict__.copy()
13278 def __setstate__(self, p):
13279 if not hasattr(self,
'this'):
13281 if isinstance(p, tuple):
13283 self.__dict__.update(d)
13284 return self._set_from_binary(p)
13288 _IMP_core.UnorderedTypeQuadPredicate_swigregister(UnorderedTypeQuadPredicate)
13290 r"""Proxy of C++ IMP::core::OrderedTypeQuadPredicate class."""
13292 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13294 def __init__(self, *args):
13295 r"""__init__(OrderedTypeQuadPredicate self, std::string name="OrderedTypeQuadPredicate%1%") -> OrderedTypeQuadPredicate"""
13296 _IMP_core.OrderedTypeQuadPredicate_swiginit(self, _IMP_core.new_OrderedTypeQuadPredicate(*args))
13298 def do_get_inputs(self, m, pis):
13299 r"""do_get_inputs(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13300 return _IMP_core.OrderedTypeQuadPredicate_do_get_inputs(self, m, pis)
13302 def get_value(self, *args):
13304 get_value(OrderedTypeQuadPredicate self, IMP::core::ParticleTypes const & types) -> int
13305 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
13306 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13308 return _IMP_core.OrderedTypeQuadPredicate_get_value(self, *args)
13310 def get_value_index(self, *args):
13312 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13313 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13315 return _IMP_core.OrderedTypeQuadPredicate_get_value_index(self, *args)
13317 def get_version_info(self):
13318 r"""get_version_info(OrderedTypeQuadPredicate self) -> VersionInfo"""
13319 return _IMP_core.OrderedTypeQuadPredicate_get_version_info(self)
13320 __swig_destroy__ = _IMP_core.delete_OrderedTypeQuadPredicate
13323 r"""__str__(OrderedTypeQuadPredicate self) -> std::string"""
13324 return _IMP_core.OrderedTypeQuadPredicate___str__(self)
13326 def __repr__(self):
13327 r"""__repr__(OrderedTypeQuadPredicate self) -> std::string"""
13328 return _IMP_core.OrderedTypeQuadPredicate___repr__(self)
13332 return _object_cast_to_OrderedTypeQuadPredicate(o)
13336 _IMP_core.OrderedTypeQuadPredicate_swigregister(OrderedTypeQuadPredicate)
13338 r"""Proxy of C++ IMP::core::AllSameQuadPredicate class."""
13340 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13342 def __init__(self, *args):
13343 r"""__init__(AllSameQuadPredicate self, std::string name="AllSameQuadPredicate%1%") -> AllSameQuadPredicate"""
13344 _IMP_core.AllSameQuadPredicate_swiginit(self, _IMP_core.new_AllSameQuadPredicate(*args))
13346 def do_get_inputs(self, arg2, arg3):
13347 r"""do_get_inputs(AllSameQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13348 return _IMP_core.AllSameQuadPredicate_do_get_inputs(self, arg2, arg3)
13350 def get_value(self, *args):
13352 get_value(AllSameQuadPredicate self, IMP::ParticleQuad const & a) -> int
13353 get_value(AllSameQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13355 return _IMP_core.AllSameQuadPredicate_get_value(self, *args)
13357 def get_value_index(self, *args):
13359 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13360 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13362 return _IMP_core.AllSameQuadPredicate_get_value_index(self, *args)
13364 def get_version_info(self):
13365 r"""get_version_info(AllSameQuadPredicate self) -> VersionInfo"""
13366 return _IMP_core.AllSameQuadPredicate_get_version_info(self)
13367 __swig_destroy__ = _IMP_core.delete_AllSameQuadPredicate
13370 r"""__str__(AllSameQuadPredicate self) -> std::string"""
13371 return _IMP_core.AllSameQuadPredicate___str__(self)
13373 def __repr__(self):
13374 r"""__repr__(AllSameQuadPredicate self) -> std::string"""
13375 return _IMP_core.AllSameQuadPredicate___repr__(self)
13379 return _object_cast_to_AllSameQuadPredicate(o)
13382 def _get_as_binary(self):
13383 r"""_get_as_binary(AllSameQuadPredicate self) -> PyObject *"""
13384 return _IMP_core.AllSameQuadPredicate__get_as_binary(self)
13386 def _set_from_binary(self, p):
13387 r"""_set_from_binary(AllSameQuadPredicate self, PyObject * p)"""
13388 return _IMP_core.AllSameQuadPredicate__set_from_binary(self, p)
13390 def __getstate__(self):
13391 p = self._get_as_binary()
13392 if len(self.__dict__) > 1:
13393 d = self.__dict__.copy()
13398 def __setstate__(self, p):
13399 if not hasattr(self,
'this'):
13401 if isinstance(p, tuple):
13403 self.__dict__.update(d)
13404 return self._set_from_binary(p)
13408 _IMP_core.AllSameQuadPredicate_swigregister(AllSameQuadPredicate)
13410 r"""Proxy of C++ IMP::core::CoinFlipQuadPredicate class."""
13412 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13414 def __init__(self, *args):
13415 r"""__init__(CoinFlipQuadPredicate self, double p, std::string name="CoinFlipQuadPredicate%1%") -> CoinFlipQuadPredicate"""
13416 _IMP_core.CoinFlipQuadPredicate_swiginit(self, _IMP_core.new_CoinFlipQuadPredicate(*args))
13418 def do_get_inputs(self, arg2, arg3):
13419 r"""do_get_inputs(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13420 return _IMP_core.CoinFlipQuadPredicate_do_get_inputs(self, arg2, arg3)
13422 def get_value(self, *args):
13424 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuad const & a) -> int
13425 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13427 return _IMP_core.CoinFlipQuadPredicate_get_value(self, *args)
13429 def get_value_index(self, *args):
13431 get_value_index(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
13432 get_value_index(CoinFlipQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13434 return _IMP_core.CoinFlipQuadPredicate_get_value_index(self, *args)
13436 def get_version_info(self):
13437 r"""get_version_info(CoinFlipQuadPredicate self) -> VersionInfo"""
13438 return _IMP_core.CoinFlipQuadPredicate_get_version_info(self)
13439 __swig_destroy__ = _IMP_core.delete_CoinFlipQuadPredicate
13442 r"""__str__(CoinFlipQuadPredicate self) -> std::string"""
13443 return _IMP_core.CoinFlipQuadPredicate___str__(self)
13445 def __repr__(self):
13446 r"""__repr__(CoinFlipQuadPredicate self) -> std::string"""
13447 return _IMP_core.CoinFlipQuadPredicate___repr__(self)
13451 return _object_cast_to_CoinFlipQuadPredicate(o)
13455 _IMP_core.CoinFlipQuadPredicate_swigregister(CoinFlipQuadPredicate)
13457 r"""Proxy of C++ IMP::core::InBoundingBox3DSingletonPredicate class."""
13459 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13461 def __init__(self, *args):
13462 r"""__init__(InBoundingBox3DSingletonPredicate self, BoundingBox3D bb, std::string name="InBoundingBox3DSingletonPredicate%1%") -> InBoundingBox3DSingletonPredicate"""
13463 _IMP_core.InBoundingBox3DSingletonPredicate_swiginit(self, _IMP_core.new_InBoundingBox3DSingletonPredicate(*args))
13465 def do_get_inputs(self, m, pi):
13466 r"""do_get_inputs(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13467 return _IMP_core.InBoundingBox3DSingletonPredicate_do_get_inputs(self, m, pi)
13469 def get_value(self, *args):
13471 get_value(InBoundingBox3DSingletonPredicate self, Particle a) -> int
13472 get_value(InBoundingBox3DSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
13474 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value(self, *args)
13476 def get_value_index(self, *args):
13478 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, ParticleIndex pi) -> int
13479 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
13481 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value_index(self, *args)
13483 def get_version_info(self):
13484 r"""get_version_info(InBoundingBox3DSingletonPredicate self) -> VersionInfo"""
13485 return _IMP_core.InBoundingBox3DSingletonPredicate_get_version_info(self)
13486 __swig_destroy__ = _IMP_core.delete_InBoundingBox3DSingletonPredicate
13489 r"""__str__(InBoundingBox3DSingletonPredicate self) -> std::string"""
13490 return _IMP_core.InBoundingBox3DSingletonPredicate___str__(self)
13492 def __repr__(self):
13493 r"""__repr__(InBoundingBox3DSingletonPredicate self) -> std::string"""
13494 return _IMP_core.InBoundingBox3DSingletonPredicate___repr__(self)
13498 return _object_cast_to_InBoundingBox3DSingletonPredicate(o)
13502 _IMP_core.InBoundingBox3DSingletonPredicate_swigregister(InBoundingBox3DSingletonPredicate)
13504 r"""Proxy of C++ IMP::core::AttributeSingletonPredicate class."""
13506 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13508 def __init__(self, *args):
13509 r"""__init__(AttributeSingletonPredicate self, IntKey bb, std::string name="AttributeSingletonPredicate%1%") -> AttributeSingletonPredicate"""
13510 _IMP_core.AttributeSingletonPredicate_swiginit(self, _IMP_core.new_AttributeSingletonPredicate(*args))
13512 def do_get_inputs(self, m, pi):
13513 r"""do_get_inputs(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13514 return _IMP_core.AttributeSingletonPredicate_do_get_inputs(self, m, pi)
13516 def get_value(self, *args):
13518 get_value(AttributeSingletonPredicate self, Particle a) -> int
13519 get_value(AttributeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
13521 return _IMP_core.AttributeSingletonPredicate_get_value(self, *args)
13523 def get_value_index(self, *args):
13525 get_value_index(AttributeSingletonPredicate self, Model m, ParticleIndex pi) -> int
13526 get_value_index(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
13528 return _IMP_core.AttributeSingletonPredicate_get_value_index(self, *args)
13530 def get_version_info(self):
13531 r"""get_version_info(AttributeSingletonPredicate self) -> VersionInfo"""
13532 return _IMP_core.AttributeSingletonPredicate_get_version_info(self)
13533 __swig_destroy__ = _IMP_core.delete_AttributeSingletonPredicate
13536 r"""__str__(AttributeSingletonPredicate self) -> std::string"""
13537 return _IMP_core.AttributeSingletonPredicate___str__(self)
13539 def __repr__(self):
13540 r"""__repr__(AttributeSingletonPredicate self) -> std::string"""
13541 return _IMP_core.AttributeSingletonPredicate___repr__(self)
13545 return _object_cast_to_AttributeSingletonPredicate(o)
13549 _IMP_core.AttributeSingletonPredicate_swigregister(AttributeSingletonPredicate)
13551 r"""Proxy of C++ IMP::core::IsCollisionPairPredicate class."""
13553 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13555 def __init__(self, *args):
13556 r"""__init__(IsCollisionPairPredicate self, std::string name="CollisionPairPredicate%1%") -> IsCollisionPairPredicate"""
13557 _IMP_core.IsCollisionPairPredicate_swiginit(self, _IMP_core.new_IsCollisionPairPredicate(*args))
13559 def do_get_inputs(self, m, pi):
13560 r"""do_get_inputs(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13561 return _IMP_core.IsCollisionPairPredicate_do_get_inputs(self, m, pi)
13563 def get_value(self, *args):
13565 get_value(IsCollisionPairPredicate self, IMP::ParticlePair const & a) -> int
13566 get_value(IsCollisionPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
13568 return _IMP_core.IsCollisionPairPredicate_get_value(self, *args)
13570 def get_value_index(self, *args):
13572 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
13573 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
13575 return _IMP_core.IsCollisionPairPredicate_get_value_index(self, *args)
13577 def get_version_info(self):
13578 r"""get_version_info(IsCollisionPairPredicate self) -> VersionInfo"""
13579 return _IMP_core.IsCollisionPairPredicate_get_version_info(self)
13580 __swig_destroy__ = _IMP_core.delete_IsCollisionPairPredicate
13583 r"""__str__(IsCollisionPairPredicate self) -> std::string"""
13584 return _IMP_core.IsCollisionPairPredicate___str__(self)
13586 def __repr__(self):
13587 r"""__repr__(IsCollisionPairPredicate self) -> std::string"""
13588 return _IMP_core.IsCollisionPairPredicate___repr__(self)
13592 return _object_cast_to_IsCollisionPairPredicate(o)
13596 _IMP_core.IsCollisionPairPredicate_swigregister(IsCollisionPairPredicate)
13597 class AngleRestraint(TripletRestraint):
13598 r"""Proxy of C++ IMP::core::AngleRestraint class."""
13600 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13602 def __init__(self, *args):
13604 __init__(AngleRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3) -> AngleRestraint
13605 __init__(AngleRestraint self) -> AngleRestraint
13607 _IMP_core.AngleRestraint_swiginit(self, _IMP_core.new_AngleRestraint(*args))
13608 __swig_destroy__ = _IMP_core.delete_AngleRestraint
13611 r"""__str__(AngleRestraint self) -> std::string"""
13612 return _IMP_core.AngleRestraint___str__(self)
13614 def __repr__(self):
13615 r"""__repr__(AngleRestraint self) -> std::string"""
13616 return _IMP_core.AngleRestraint___repr__(self)
13620 return _object_cast_to_AngleRestraint(o)
13623 def _get_as_binary(self):
13624 r"""_get_as_binary(AngleRestraint self) -> PyObject *"""
13625 return _IMP_core.AngleRestraint__get_as_binary(self)
13627 def _set_from_binary(self, p):
13628 r"""_set_from_binary(AngleRestraint self, PyObject * p)"""
13629 return _IMP_core.AngleRestraint__set_from_binary(self, p)
13631 def __getstate__(self):
13632 p = self._get_as_binary()
13633 if len(self.__dict__) > 1:
13634 d = self.__dict__.copy()
13639 def __setstate__(self, p):
13640 if not hasattr(self,
'this'):
13642 if isinstance(p, tuple):
13644 self.__dict__.update(d)
13645 return self._set_from_binary(p)
13649 _IMP_core.AngleRestraint_swigregister(AngleRestraint)
13650 class RigidBodyMover(MonteCarloMover):
13651 r"""Proxy of C++ IMP::core::RigidBodyMover class."""
13653 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13655 def __init__(self, *args):
13657 __init__(RigidBodyMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation) -> RigidBodyMover
13658 __init__(RigidBodyMover self) -> RigidBodyMover
13660 _IMP_core.RigidBodyMover_swiginit(self, _IMP_core.new_RigidBodyMover(*args))
13662 def set_maximum_translation(self, mt):
13663 r"""set_maximum_translation(RigidBodyMover self, IMP::Float mt)"""
13664 return _IMP_core.RigidBodyMover_set_maximum_translation(self, mt)
13666 def set_maximum_rotation(self, mr):
13667 r"""set_maximum_rotation(RigidBodyMover self, IMP::Float mr)"""
13668 return _IMP_core.RigidBodyMover_set_maximum_rotation(self, mr)
13670 def get_maximum_translation(self):
13671 r"""get_maximum_translation(RigidBodyMover self) -> IMP::Float"""
13672 return _IMP_core.RigidBodyMover_get_maximum_translation(self)
13674 def get_maximum_rotation(self):
13675 r"""get_maximum_rotation(RigidBodyMover self) -> IMP::Float"""
13676 return _IMP_core.RigidBodyMover_get_maximum_rotation(self)
13679 r"""get_index(RigidBodyMover self) -> ParticleIndex"""
13680 return _IMP_core.RigidBodyMover_get_index(self)
13682 def get_version_info(self):
13683 r"""get_version_info(RigidBodyMover self) -> VersionInfo"""
13684 return _IMP_core.RigidBodyMover_get_version_info(self)
13685 __swig_destroy__ = _IMP_core.delete_RigidBodyMover
13688 r"""__str__(RigidBodyMover self) -> std::string"""
13689 return _IMP_core.RigidBodyMover___str__(self)
13691 def __repr__(self):
13692 r"""__repr__(RigidBodyMover self) -> std::string"""
13693 return _IMP_core.RigidBodyMover___repr__(self)
13697 return _object_cast_to_RigidBodyMover(o)
13700 def _get_as_binary(self):
13701 r"""_get_as_binary(RigidBodyMover self) -> PyObject *"""
13702 return _IMP_core.RigidBodyMover__get_as_binary(self)
13704 def _set_from_binary(self, p):
13705 r"""_set_from_binary(RigidBodyMover self, PyObject * p)"""
13706 return _IMP_core.RigidBodyMover__set_from_binary(self, p)
13708 def __getstate__(self):
13709 p = self._get_as_binary()
13710 if len(self.__dict__) > 1:
13711 d = self.__dict__.copy()
13716 def __setstate__(self, p):
13717 if not hasattr(self,
'this'):
13719 if isinstance(p, tuple):
13721 self.__dict__.update(d)
13722 return self._set_from_binary(p)
13725 def _get_jax(self):
13727 import IMP.core._jax_rigid
13728 from IMP.algebra._jax_util
import (get_random_vector_on_3d_sphere,
13729 get_random_vector_in_3d_sphere,
13730 get_rotation_about_normalized_axis,
13731 _quaternion_multiply)
13732 max_angle = self.get_maximum_rotation()
13733 max_translation = self.get_maximum_translation()
13734 particle_index = self.get_index()
13735 body_index = IMP.core._jax_rigid._get_rigid_body_index(
13736 self.get_model(), self.get_index())
13738 def init_func(key):
13741 def propose_func(jm, key):
13742 body = jm[
'rigid_bodies'].bodies[body_index]
13743 tf = body.get_transformation(jm)
13745 if max_translation > 0:
13746 key, subkey = jax.random.split(key)
13747 tf.translation += get_random_vector_in_3d_sphere(
13748 subkey, max_translation)[0]
13750 key, subkey1, subkey2 = jax.random.split(key, 3)
13751 axis_norm = get_random_vector_on_3d_sphere(subkey1, 1.0)[0]
13752 angle = jax.random.uniform(
13753 subkey2, minval=-max_angle, maxval=max_angle)
13755 tf.rotation = _quaternion_multiply(rotation, tf.rotation)
13756 jm = body.set_transformation_lazy(tf, jm)
13757 return jm, key, 1.0
13759 return self._wrap_jax(init_func, propose_func, keys=[
'rigid_bodies'])
13763 _IMP_core.RigidBodyMover_swigregister(RigidBodyMover)
13764 class RigidBodyTunneler(MonteCarloMover):
13765 r"""Proxy of C++ IMP::core::RigidBodyTunneler class."""
13767 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13769 def __init__(self, m, pis, ref, k, move_probability=1.):
13770 r"""__init__(RigidBodyTunneler self, Model m, IMP::ParticleIndexes pis, ParticleIndex ref, double k, double move_probability=1.) -> RigidBodyTunneler"""
13771 _IMP_core.RigidBodyTunneler_swiginit(self, _IMP_core.new_RigidBodyTunneler(m, pis, ref, k, move_probability))
13773 def add_entry_point(self, fl):
13774 r"""add_entry_point(RigidBodyTunneler self, IMP::Floats fl)"""
13775 return _IMP_core.RigidBodyTunneler_add_entry_point(self, fl)
13777 def reset_stats(self):
13778 r"""reset_stats(RigidBodyTunneler self)"""
13779 return _IMP_core.RigidBodyTunneler_reset_stats(self)
13781 def get_number_of_rejected_moves(self):
13782 r"""get_number_of_rejected_moves(RigidBodyTunneler self) -> unsigned int"""
13783 return _IMP_core.RigidBodyTunneler_get_number_of_rejected_moves(self)
13785 def get_number_of_proposed_moves(self):
13786 r"""get_number_of_proposed_moves(RigidBodyTunneler self) -> unsigned int"""
13787 return _IMP_core.RigidBodyTunneler_get_number_of_proposed_moves(self)
13789 def get_number_of_impossible_moves(self):
13790 r"""get_number_of_impossible_moves(RigidBodyTunneler self) -> unsigned int"""
13791 return _IMP_core.RigidBodyTunneler_get_number_of_impossible_moves(self)
13793 def get_number_of_calls(self):
13794 r"""get_number_of_calls(RigidBodyTunneler self) -> unsigned int"""
13795 return _IMP_core.RigidBodyTunneler_get_number_of_calls(self)
13798 def get_reduced_coordinates(*args):
13800 get_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref) -> IMP::Floats
13801 get_reduced_coordinates(Model m, ParticleIndex pi) -> IMP::Floats
13803 return _IMP_core.RigidBodyTunneler_get_reduced_coordinates(*args)
13806 def set_reduced_coordinates(m, target, ref, coords):
13807 r"""set_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref, IMP::Floats coords)"""
13808 return _IMP_core.RigidBodyTunneler_set_reduced_coordinates(m, target, ref, coords)
13810 def get_version_info(self):
13811 r"""get_version_info(RigidBodyTunneler self) -> VersionInfo"""
13812 return _IMP_core.RigidBodyTunneler_get_version_info(self)
13813 __swig_destroy__ = _IMP_core.delete_RigidBodyTunneler
13816 r"""__str__(RigidBodyTunneler self) -> std::string"""
13817 return _IMP_core.RigidBodyTunneler___str__(self)
13819 def __repr__(self):
13820 r"""__repr__(RigidBodyTunneler self) -> std::string"""
13821 return _IMP_core.RigidBodyTunneler___repr__(self)
13825 return _object_cast_to_RigidBodyTunneler(o)
13829 _IMP_core.RigidBodyTunneler_swigregister(RigidBodyTunneler)
13831 r"""Proxy of C++ IMP::core::RigidBodyUmbrella class."""
13833 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13835 def __init__(self, *args):
13837 __init__(RigidBodyUmbrella self, Model m, ParticleIndex pi, ParticleIndex ref, IMP::Floats x0, double alpha, double k, std::string name="RigidBodyUmbrella %1%") -> RigidBodyUmbrella
13838 __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
13840 _IMP_core.RigidBodyUmbrella_swiginit(self, _IMP_core.new_RigidBodyUmbrella(*args))
13842 def set_x0(self, *args):
13844 set_x0(RigidBodyUmbrella self, IMP::Floats x0)
13845 set_x0(RigidBodyUmbrella self, double _lambda, IMP::Floats x1, IMP::Floats x2)
13847 return _IMP_core.RigidBodyUmbrella_set_x0(self, *args)
13850 r"""get_x0(RigidBodyUmbrella self) -> IMP::Floats"""
13851 return _IMP_core.RigidBodyUmbrella_get_x0(self)
13854 r"""get_x(RigidBodyUmbrella self) -> IMP::Floats"""
13855 return _IMP_core.RigidBodyUmbrella_get_x(self)
13857 def set_alpha(self, alpha):
13858 r"""set_alpha(RigidBodyUmbrella self, double alpha)"""
13859 return _IMP_core.RigidBodyUmbrella_set_alpha(self, alpha)
13861 def set_k(self, k):
13862 r"""set_k(RigidBodyUmbrella self, double k)"""
13863 return _IMP_core.RigidBodyUmbrella_set_k(self, k)
13865 def get_version_info(self):
13866 r"""get_version_info(RigidBodyUmbrella self) -> VersionInfo"""
13867 return _IMP_core.RigidBodyUmbrella_get_version_info(self)
13868 __swig_destroy__ = _IMP_core.delete_RigidBodyUmbrella
13871 r"""__str__(RigidBodyUmbrella self) -> std::string"""
13872 return _IMP_core.RigidBodyUmbrella___str__(self)
13874 def __repr__(self):
13875 r"""__repr__(RigidBodyUmbrella self) -> std::string"""
13876 return _IMP_core.RigidBodyUmbrella___repr__(self)
13880 return _object_cast_to_RigidBodyUmbrella(o)
13884 _IMP_core.RigidBodyUmbrella_swigregister(RigidBodyUmbrella)
13886 r"""Proxy of C++ IMP::core::VolumeRestraint class."""
13888 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13890 def __init__(self, f, sc, volume):
13891 r"""__init__(VolumeRestraint self, UnaryFunction f, SingletonContainer sc, double volume) -> VolumeRestraint"""
13892 _IMP_core.VolumeRestraint_swiginit(self, _IMP_core.new_VolumeRestraint(f, sc, volume))
13894 def do_get_inputs(self):
13895 r"""do_get_inputs(VolumeRestraint self) -> IMP::ModelObjectsTemp"""
13896 return _IMP_core.VolumeRestraint_do_get_inputs(self)
13898 def get_version_info(self):
13899 r"""get_version_info(VolumeRestraint self) -> VersionInfo"""
13900 return _IMP_core.VolumeRestraint_get_version_info(self)
13901 __swig_destroy__ = _IMP_core.delete_VolumeRestraint
13904 r"""__str__(VolumeRestraint self) -> std::string"""
13905 return _IMP_core.VolumeRestraint___str__(self)
13907 def __repr__(self):
13908 r"""__repr__(VolumeRestraint self) -> std::string"""
13909 return _IMP_core.VolumeRestraint___repr__(self)
13913 return _object_cast_to_VolumeRestraint(o)
13917 _IMP_core.VolumeRestraint_swigregister(VolumeRestraint)
13920 r"""get_centroid(IMP::core::XYZs const & ps) -> Vector3D"""
13921 return _IMP_core.get_centroid(ps)
13924 r"""get_bounding_box(IMP::core::XYZRs const & ps) -> BoundingBox3D"""
13925 return _IMP_core.get_bounding_box(ps)
13927 r"""Proxy of C++ IMP::core::MoveStatisticsScoreState class."""
13929 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13931 def __init__(self, ps):
13932 r"""__init__(MoveStatisticsScoreState self, IMP::ParticlesTemp const & ps) -> MoveStatisticsScoreState"""
13933 _IMP_core.MoveStatisticsScoreState_swiginit(self, _IMP_core.new_MoveStatisticsScoreState(ps))
13935 def show_statistics(self, *args):
13936 r"""show_statistics(MoveStatisticsScoreState self, _ostream out=std::cout)"""
13937 return _IMP_core.MoveStatisticsScoreState_show_statistics(self, *args)
13940 r"""reset(MoveStatisticsScoreState self)"""
13941 return _IMP_core.MoveStatisticsScoreState_reset(self)
13943 def do_before_evaluate(self):
13944 r"""do_before_evaluate(MoveStatisticsScoreState self)"""
13945 return _IMP_core.MoveStatisticsScoreState_do_before_evaluate(self)
13947 def do_after_evaluate(self, da):
13948 r"""do_after_evaluate(MoveStatisticsScoreState self, DerivativeAccumulator da)"""
13949 return _IMP_core.MoveStatisticsScoreState_do_after_evaluate(self, da)
13951 def do_get_inputs(self):
13952 r"""do_get_inputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
13953 return _IMP_core.MoveStatisticsScoreState_do_get_inputs(self)
13955 def do_get_outputs(self):
13956 r"""do_get_outputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
13957 return _IMP_core.MoveStatisticsScoreState_do_get_outputs(self)
13959 def get_version_info(self):
13960 r"""get_version_info(MoveStatisticsScoreState self) -> VersionInfo"""
13961 return _IMP_core.MoveStatisticsScoreState_get_version_info(self)
13962 __swig_destroy__ = _IMP_core.delete_MoveStatisticsScoreState
13965 r"""__str__(MoveStatisticsScoreState self) -> std::string"""
13966 return _IMP_core.MoveStatisticsScoreState___str__(self)
13968 def __repr__(self):
13969 r"""__repr__(MoveStatisticsScoreState self) -> std::string"""
13970 return _IMP_core.MoveStatisticsScoreState___repr__(self)
13974 return _object_cast_to_MoveStatisticsScoreState(o)
13978 _IMP_core.MoveStatisticsScoreState_swigregister(MoveStatisticsScoreState)
13979 IMP_PARTICLE_TYPE_INDEX = _IMP_core.IMP_PARTICLE_TYPE_INDEX
13982 r"""Proxy of C++ IMP::core::Typed class."""
13984 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13987 def get_type_key():
13988 r"""get_type_key() -> IntKey"""
13989 return _IMP_core.Typed_get_type_key()
13991 def __init__(self, *args):
13993 __init__(Typed self) -> Typed
13994 __init__(Typed self, Model m, ParticleIndex id) -> Typed
13995 __init__(Typed self, _ParticleAdaptor d) -> Typed
13997 _IMP_core.Typed_swiginit(self, _IMP_core.new_Typed(*args))
13999 def show(self, *args):
14000 r"""show(Typed self, _ostream out=std::cout)"""
14001 return _IMP_core.Typed_show(self, *args)
14004 def setup_particle(*args):
14006 setup_particle(Model m, ParticleIndex pi, ParticleType t) -> Typed
14007 setup_particle(_ParticleAdaptor pa, ParticleType t) -> Typed
14009 return _IMP_core.Typed_setup_particle(*args)
14012 def get_is_setup(*args):
14014 get_is_setup(_ParticleAdaptor p) -> bool
14015 get_is_setup(Model m, ParticleIndex pi) -> bool
14017 return _IMP_core.Typed_get_is_setup(*args)
14019 def get_type(self):
14020 r"""get_type(Typed self) -> ParticleType"""
14021 return _IMP_core.Typed_get_type(self)
14023 def set_type(self, pt):
14024 r"""set_type(Typed self, ParticleType pt)"""
14025 return _IMP_core.Typed_set_type(self, pt)
14027 def add_attribute(self, *args):
14029 add_attribute(Typed self, FloatKey k, IMP::Float v, bool opt)
14030 add_attribute(Typed self, FloatKey a0, IMP::Float a1)
14031 add_attribute(Typed self, IntKey a0, IMP::Int a1)
14032 add_attribute(Typed self, FloatsKey a0, IMP::Floats a1)
14033 add_attribute(Typed self, IntsKey a0, IMP::Ints a1)
14034 add_attribute(Typed self, StringKey a0, IMP::String a1)
14035 add_attribute(Typed self, ParticleIndexKey a0, Particle a1)
14036 add_attribute(Typed self, ObjectKey a0, Object a1)
14037 add_attribute(Typed self, SparseFloatKey a0, IMP::Float a1)
14038 add_attribute(Typed self, SparseIntKey a0, IMP::Int a1)
14039 add_attribute(Typed self, SparseStringKey a0, IMP::String a1)
14040 add_attribute(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
14042 return _IMP_core.Typed_add_attribute(self, *args)
14044 def get_value(self, *args):
14046 get_value(Typed self, FloatKey a0) -> IMP::Float
14047 get_value(Typed self, IntKey a0) -> IMP::Int
14048 get_value(Typed self, FloatsKey a0) -> IMP::Floats
14049 get_value(Typed self, IntsKey a0) -> IMP::Ints
14050 get_value(Typed self, StringKey a0) -> IMP::String
14051 get_value(Typed self, ParticleIndexKey a0) -> Particle
14052 get_value(Typed self, ObjectKey a0) -> Object
14053 get_value(Typed self, SparseFloatKey a0) -> IMP::Float
14054 get_value(Typed self, SparseIntKey a0) -> IMP::Int
14055 get_value(Typed self, SparseStringKey a0) -> IMP::String
14056 get_value(Typed self, SparseParticleIndexKey a0) -> ParticleIndex
14058 return _IMP_core.Typed_get_value(self, *args)
14060 def set_value(self, *args):
14062 set_value(Typed self, FloatKey a0, IMP::Float a1)
14063 set_value(Typed self, IntKey a0, IMP::Int a1)
14064 set_value(Typed self, FloatsKey a0, IMP::Floats a1)
14065 set_value(Typed self, IntsKey a0, IMP::Ints a1)
14066 set_value(Typed self, StringKey a0, IMP::String a1)
14067 set_value(Typed self, ParticleIndexKey a0, Particle a1)
14068 set_value(Typed self, ObjectKey a0, Object a1)
14069 set_value(Typed self, SparseFloatKey a0, IMP::Float a1)
14070 set_value(Typed self, SparseIntKey a0, IMP::Int a1)
14071 set_value(Typed self, SparseStringKey a0, IMP::String a1)
14072 set_value(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
14074 return _IMP_core.Typed_set_value(self, *args)
14076 def remove_attribute(self, *args):
14078 remove_attribute(Typed self, FloatKey a0)
14079 remove_attribute(Typed self, IntKey a0)
14080 remove_attribute(Typed self, FloatsKey a0)
14081 remove_attribute(Typed self, IntsKey a0)
14082 remove_attribute(Typed self, StringKey a0)
14083 remove_attribute(Typed self, ParticleIndexKey a0)
14084 remove_attribute(Typed self, ObjectKey a0)
14085 remove_attribute(Typed self, SparseFloatKey a0)
14086 remove_attribute(Typed self, SparseIntKey a0)
14087 remove_attribute(Typed self, SparseStringKey a0)
14088 remove_attribute(Typed self, SparseParticleIndexKey a0)
14090 return _IMP_core.Typed_remove_attribute(self, *args)
14092 def has_attribute(self, *args):
14094 has_attribute(Typed self, FloatKey a0) -> bool
14095 has_attribute(Typed self, IntKey a0) -> bool
14096 has_attribute(Typed self, FloatsKey a0) -> bool
14097 has_attribute(Typed self, IntsKey a0) -> bool
14098 has_attribute(Typed self, StringKey a0) -> bool
14099 has_attribute(Typed self, ParticleIndexKey a0) -> bool
14100 has_attribute(Typed self, ObjectKey a0) -> bool
14101 has_attribute(Typed self, SparseFloatKey a0) -> bool
14102 has_attribute(Typed self, SparseIntKey a0) -> bool
14103 has_attribute(Typed self, SparseStringKey a0) -> bool
14104 has_attribute(Typed self, SparseParticleIndexKey a0) -> bool
14106 return _IMP_core.Typed_has_attribute(self, *args)
14108 def get_derivative(self, a0):
14109 r"""get_derivative(Typed self, FloatKey a0) -> double"""
14110 return _IMP_core.Typed_get_derivative(self, a0)
14112 def get_name(self):
14113 r"""get_name(Typed self) -> std::string"""
14114 return _IMP_core.Typed_get_name(self)
14116 def clear_caches(self):
14117 r"""clear_caches(Typed self)"""
14118 return _IMP_core.Typed_clear_caches(self)
14120 def set_name(self, a0):
14121 r"""set_name(Typed self, std::string a0)"""
14122 return _IMP_core.Typed_set_name(self, a0)
14125 r"""set_check_level(Typed self, IMP::CheckLevel a0)"""
14126 return _IMP_core.Typed_set_check_level(self, a0)
14128 def add_to_derivative(self, a0, a1, a2):
14129 r"""add_to_derivative(Typed self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14130 return _IMP_core.Typed_add_to_derivative(self, a0, a1, a2)
14132 def set_is_optimized(self, a0, a1):
14133 r"""set_is_optimized(Typed self, FloatKey a0, bool a1)"""
14134 return _IMP_core.Typed_set_is_optimized(self, a0, a1)
14136 def get_is_optimized(self, a0):
14137 r"""get_is_optimized(Typed self, FloatKey a0) -> bool"""
14138 return _IMP_core.Typed_get_is_optimized(self, a0)
14141 r"""get_check_level(Typed self) -> IMP::CheckLevel"""
14142 return _IMP_core.Typed_get_check_level(self)
14144 def __eq__(self, *args):
14146 __eq__(Typed self, Typed o) -> bool
14147 __eq__(Typed self, Particle d) -> bool
14149 return _IMP_core.Typed___eq__(self, *args)
14151 def __ne__(self, *args):
14153 __ne__(Typed self, Typed o) -> bool
14154 __ne__(Typed self, Particle d) -> bool
14156 return _IMP_core.Typed___ne__(self, *args)
14158 def __le__(self, *args):
14160 __le__(Typed self, Typed o) -> bool
14161 __le__(Typed self, Particle d) -> bool
14163 return _IMP_core.Typed___le__(self, *args)
14165 def __lt__(self, *args):
14167 __lt__(Typed self, Typed o) -> bool
14168 __lt__(Typed self, Particle d) -> bool
14170 return _IMP_core.Typed___lt__(self, *args)
14172 def __ge__(self, *args):
14174 __ge__(Typed self, Typed o) -> bool
14175 __ge__(Typed self, Particle d) -> bool
14177 return _IMP_core.Typed___ge__(self, *args)
14179 def __gt__(self, *args):
14181 __gt__(Typed self, Typed o) -> bool
14182 __gt__(Typed self, Particle d) -> bool
14184 return _IMP_core.Typed___gt__(self, *args)
14186 def __hash__(self):
14187 r"""__hash__(Typed self) -> std::size_t"""
14188 return _IMP_core.Typed___hash__(self)
14191 r"""__str__(Typed self) -> std::string"""
14192 return _IMP_core.Typed___str__(self)
14194 def __repr__(self):
14195 r"""__repr__(Typed self) -> std::string"""
14196 return _IMP_core.Typed___repr__(self)
14198 def _get_as_binary(self):
14199 r"""_get_as_binary(Typed self) -> PyObject *"""
14200 return _IMP_core.Typed__get_as_binary(self)
14202 def _set_from_binary(self, p):
14203 r"""_set_from_binary(Typed self, PyObject * p)"""
14204 return _IMP_core.Typed__set_from_binary(self, p)
14206 def __getstate__(self):
14207 p = self._get_as_binary()
14208 if len(self.__dict__) > 1:
14209 d = self.__dict__.copy()
14214 def __setstate__(self, p):
14215 if not hasattr(self,
'this'):
14217 if isinstance(p, tuple):
14219 self.__dict__.update(d)
14220 return self._set_from_binary(p)
14222 __swig_destroy__ = _IMP_core.delete_Typed
14225 _IMP_core.Typed_swigregister(Typed)
14227 def __lshift__(*args):
14229 __lshift__(_ostream out, XYZ n) -> _ostream
14230 __lshift__(_ostream out, XYZR n) -> _ostream
14231 __lshift__(_ostream out, Direction n) -> _ostream
14232 __lshift__(_ostream out, DirectionAngle n) -> _ostream
14233 __lshift__(_ostream out, Surface n) -> _ostream
14234 __lshift__(_ostream out, Centroid n) -> _ostream
14235 __lshift__(_ostream out, Cover n) -> _ostream
14236 __lshift__(_ostream out, Reference n) -> _ostream
14237 __lshift__(_ostream out, RigidMember n) -> _ostream
14238 __lshift__(_ostream out, RigidBody n) -> _ostream
14239 __lshift__(_ostream out, Gaussian n) -> _ostream
14240 __lshift__(_ostream out, Typed n) -> _ostream
14242 return _IMP_core.__lshift__(*args)
14244 r"""Proxy of C++ IMP::core::WriteRestraintScoresOptimizerState class."""
14246 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14248 def __init__(self, rs, out):
14249 r"""__init__(WriteRestraintScoresOptimizerState self, IMP::Restraints const & rs, TextOutput out) -> WriteRestraintScoresOptimizerState"""
14250 _IMP_core.WriteRestraintScoresOptimizerState_swiginit(self, _IMP_core.new_WriteRestraintScoresOptimizerState(rs, out))
14252 def get_version_info(self):
14253 r"""get_version_info(WriteRestraintScoresOptimizerState self) -> VersionInfo"""
14254 return _IMP_core.WriteRestraintScoresOptimizerState_get_version_info(self)
14255 __swig_destroy__ = _IMP_core.delete_WriteRestraintScoresOptimizerState
14258 r"""__str__(WriteRestraintScoresOptimizerState self) -> std::string"""
14259 return _IMP_core.WriteRestraintScoresOptimizerState___str__(self)
14261 def __repr__(self):
14262 r"""__repr__(WriteRestraintScoresOptimizerState self) -> std::string"""
14263 return _IMP_core.WriteRestraintScoresOptimizerState___repr__(self)
14267 return _object_cast_to_WriteRestraintScoresOptimizerState(o)
14271 _IMP_core.WriteRestraintScoresOptimizerState_swigregister(WriteRestraintScoresOptimizerState)
14274 r"""assign_blame(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, FloatKey attribute)"""
14275 return _IMP_core.assign_blame(rs, ps, attribute)
14278 r"""create_blame_geometries(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, double max=NO_MAX, std::string name=std::string()) -> IMP::display::Geometries"""
14279 return _IMP_core.create_blame_geometries(*args)
14281 r"""Proxy of C++ IMP::core::MultipleBinormalRestraint class."""
14283 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14285 def __init__(self, m, q1, q2):
14286 r"""__init__(MultipleBinormalRestraint self, Model m, IMP::ParticleIndexQuad const & q1, IMP::ParticleIndexQuad const & q2) -> MultipleBinormalRestraint"""
14287 _IMP_core.MultipleBinormalRestraint_swiginit(self, _IMP_core.new_MultipleBinormalRestraint(m, q1, q2))
14289 def add_term(self, term):
14290 r"""add_term(MultipleBinormalRestraint self, BinormalTerm term)"""
14291 return _IMP_core.MultipleBinormalRestraint_add_term(self, term)
14293 def do_get_inputs(self):
14294 r"""do_get_inputs(MultipleBinormalRestraint self) -> IMP::ModelObjectsTemp"""
14295 return _IMP_core.MultipleBinormalRestraint_do_get_inputs(self)
14297 def get_version_info(self):
14298 r"""get_version_info(MultipleBinormalRestraint self) -> VersionInfo"""
14299 return _IMP_core.MultipleBinormalRestraint_get_version_info(self)
14300 __swig_destroy__ = _IMP_core.delete_MultipleBinormalRestraint
14303 r"""__str__(MultipleBinormalRestraint self) -> std::string"""
14304 return _IMP_core.MultipleBinormalRestraint___str__(self)
14306 def __repr__(self):
14307 r"""__repr__(MultipleBinormalRestraint self) -> std::string"""
14308 return _IMP_core.MultipleBinormalRestraint___repr__(self)
14312 return _object_cast_to_MultipleBinormalRestraint(o)
14316 _IMP_core.MultipleBinormalRestraint_swigregister(MultipleBinormalRestraint)
14317 class BinormalTerm(object):
14318 r"""Proxy of C++ IMP::core::BinormalTerm class."""
14320 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14322 def __init__(self):
14323 r"""__init__(BinormalTerm self) -> BinormalTerm"""
14324 _IMP_core.BinormalTerm_swiginit(self, _IMP_core.new_BinormalTerm())
14326 def set_correlation(self, correlation):
14327 r"""set_correlation(BinormalTerm self, double correlation)"""
14328 return _IMP_core.BinormalTerm_set_correlation(self, correlation)
14330 def set_weight(self, weight):
14331 r"""set_weight(BinormalTerm self, double weight)"""
14332 return _IMP_core.BinormalTerm_set_weight(self, weight)
14334 def set_means(self, means):
14335 r"""set_means(BinormalTerm self, IMP::FloatPair means)"""
14336 return _IMP_core.BinormalTerm_set_means(self, means)
14338 def set_standard_deviations(self, stdevs):
14339 r"""set_standard_deviations(BinormalTerm self, IMP::FloatPair stdevs)"""
14340 return _IMP_core.BinormalTerm_set_standard_deviations(self, stdevs)
14342 def show(self, *args):
14343 r"""show(BinormalTerm self, _ostream out=std::cout)"""
14344 return _IMP_core.BinormalTerm_show(self, *args)
14347 r"""__str__(BinormalTerm self) -> std::string"""
14348 return _IMP_core.BinormalTerm___str__(self)
14350 def __repr__(self):
14351 r"""__repr__(BinormalTerm self) -> std::string"""
14352 return _IMP_core.BinormalTerm___repr__(self)
14354 def _get_as_binary(self):
14355 r"""_get_as_binary(BinormalTerm self) -> PyObject *"""
14356 return _IMP_core.BinormalTerm__get_as_binary(self)
14358 def _set_from_binary(self, p):
14359 r"""_set_from_binary(BinormalTerm self, PyObject * p)"""
14360 return _IMP_core.BinormalTerm__set_from_binary(self, p)
14362 def __getstate__(self):
14363 p = self._get_as_binary()
14364 if len(self.__dict__) > 1:
14365 d = self.__dict__.copy()
14370 def __setstate__(self, p):
14371 if not hasattr(self,
'this'):
14373 if isinstance(p, tuple):
14375 self.__dict__.update(d)
14376 return self._set_from_binary(p)
14378 __swig_destroy__ = _IMP_core.delete_BinormalTerm
14381 _IMP_core.BinormalTerm_swigregister(BinormalTerm)
14383 r"""Proxy of C++ IMP::core::Provenance class."""
14385 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14387 def get_previous(self):
14388 r"""get_previous(Provenance self) -> Provenance"""
14389 return _IMP_core.Provenance_get_previous(self)
14391 def set_previous(self, p):
14392 r"""set_previous(Provenance self, Provenance p)"""
14393 return _IMP_core.Provenance_set_previous(self, p)
14395 def __init__(self, *args):
14397 __init__(Provenance self) -> Provenance
14398 __init__(Provenance self, Model m, ParticleIndex id) -> Provenance
14399 __init__(Provenance self, _ParticleAdaptor d) -> Provenance
14401 _IMP_core.Provenance_swiginit(self, _IMP_core.new_Provenance(*args))
14404 def get_is_setup(*args):
14406 get_is_setup(Model m, ParticleIndex pi) -> bool
14407 get_is_setup(_ParticleAdaptor p) -> bool
14409 return _IMP_core.Provenance_get_is_setup(*args)
14411 def show(self, *args):
14412 r"""show(Provenance self, _ostream out=std::cout)"""
14413 return _IMP_core.Provenance_show(self, *args)
14416 def setup_particle(*args):
14418 setup_particle(Model m, ParticleIndex pi) -> Provenance
14419 setup_particle(_ParticleAdaptor pa) -> Provenance
14421 return _IMP_core.Provenance_setup_particle(*args)
14423 def add_attribute(self, *args):
14425 add_attribute(Provenance self, FloatKey k, IMP::Float v, bool opt)
14426 add_attribute(Provenance self, FloatKey a0, IMP::Float a1)
14427 add_attribute(Provenance self, IntKey a0, IMP::Int a1)
14428 add_attribute(Provenance self, FloatsKey a0, IMP::Floats a1)
14429 add_attribute(Provenance self, IntsKey a0, IMP::Ints a1)
14430 add_attribute(Provenance self, StringKey a0, IMP::String a1)
14431 add_attribute(Provenance self, ParticleIndexKey a0, Particle a1)
14432 add_attribute(Provenance self, ObjectKey a0, Object a1)
14433 add_attribute(Provenance self, SparseFloatKey a0, IMP::Float a1)
14434 add_attribute(Provenance self, SparseIntKey a0, IMP::Int a1)
14435 add_attribute(Provenance self, SparseStringKey a0, IMP::String a1)
14436 add_attribute(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14438 return _IMP_core.Provenance_add_attribute(self, *args)
14440 def get_value(self, *args):
14442 get_value(Provenance self, FloatKey a0) -> IMP::Float
14443 get_value(Provenance self, IntKey a0) -> IMP::Int
14444 get_value(Provenance self, FloatsKey a0) -> IMP::Floats
14445 get_value(Provenance self, IntsKey a0) -> IMP::Ints
14446 get_value(Provenance self, StringKey a0) -> IMP::String
14447 get_value(Provenance self, ParticleIndexKey a0) -> Particle
14448 get_value(Provenance self, ObjectKey a0) -> Object
14449 get_value(Provenance self, SparseFloatKey a0) -> IMP::Float
14450 get_value(Provenance self, SparseIntKey a0) -> IMP::Int
14451 get_value(Provenance self, SparseStringKey a0) -> IMP::String
14452 get_value(Provenance self, SparseParticleIndexKey a0) -> ParticleIndex
14454 return _IMP_core.Provenance_get_value(self, *args)
14456 def set_value(self, *args):
14458 set_value(Provenance self, FloatKey a0, IMP::Float a1)
14459 set_value(Provenance self, IntKey a0, IMP::Int a1)
14460 set_value(Provenance self, FloatsKey a0, IMP::Floats a1)
14461 set_value(Provenance self, IntsKey a0, IMP::Ints a1)
14462 set_value(Provenance self, StringKey a0, IMP::String a1)
14463 set_value(Provenance self, ParticleIndexKey a0, Particle a1)
14464 set_value(Provenance self, ObjectKey a0, Object a1)
14465 set_value(Provenance self, SparseFloatKey a0, IMP::Float a1)
14466 set_value(Provenance self, SparseIntKey a0, IMP::Int a1)
14467 set_value(Provenance self, SparseStringKey a0, IMP::String a1)
14468 set_value(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14470 return _IMP_core.Provenance_set_value(self, *args)
14472 def remove_attribute(self, *args):
14474 remove_attribute(Provenance self, FloatKey a0)
14475 remove_attribute(Provenance self, IntKey a0)
14476 remove_attribute(Provenance self, FloatsKey a0)
14477 remove_attribute(Provenance self, IntsKey a0)
14478 remove_attribute(Provenance self, StringKey a0)
14479 remove_attribute(Provenance self, ParticleIndexKey a0)
14480 remove_attribute(Provenance self, ObjectKey a0)
14481 remove_attribute(Provenance self, SparseFloatKey a0)
14482 remove_attribute(Provenance self, SparseIntKey a0)
14483 remove_attribute(Provenance self, SparseStringKey a0)
14484 remove_attribute(Provenance self, SparseParticleIndexKey a0)
14486 return _IMP_core.Provenance_remove_attribute(self, *args)
14488 def has_attribute(self, *args):
14490 has_attribute(Provenance self, FloatKey a0) -> bool
14491 has_attribute(Provenance self, IntKey a0) -> bool
14492 has_attribute(Provenance self, FloatsKey a0) -> bool
14493 has_attribute(Provenance self, IntsKey a0) -> bool
14494 has_attribute(Provenance self, StringKey a0) -> bool
14495 has_attribute(Provenance self, ParticleIndexKey a0) -> bool
14496 has_attribute(Provenance self, ObjectKey a0) -> bool
14497 has_attribute(Provenance self, SparseFloatKey a0) -> bool
14498 has_attribute(Provenance self, SparseIntKey a0) -> bool
14499 has_attribute(Provenance self, SparseStringKey a0) -> bool
14500 has_attribute(Provenance self, SparseParticleIndexKey a0) -> bool
14502 return _IMP_core.Provenance_has_attribute(self, *args)
14504 def get_derivative(self, a0):
14505 r"""get_derivative(Provenance self, FloatKey a0) -> double"""
14506 return _IMP_core.Provenance_get_derivative(self, a0)
14508 def get_name(self):
14509 r"""get_name(Provenance self) -> std::string"""
14510 return _IMP_core.Provenance_get_name(self)
14512 def clear_caches(self):
14513 r"""clear_caches(Provenance self)"""
14514 return _IMP_core.Provenance_clear_caches(self)
14516 def set_name(self, a0):
14517 r"""set_name(Provenance self, std::string a0)"""
14518 return _IMP_core.Provenance_set_name(self, a0)
14521 r"""set_check_level(Provenance self, IMP::CheckLevel a0)"""
14522 return _IMP_core.Provenance_set_check_level(self, a0)
14524 def add_to_derivative(self, a0, a1, a2):
14525 r"""add_to_derivative(Provenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14526 return _IMP_core.Provenance_add_to_derivative(self, a0, a1, a2)
14528 def set_is_optimized(self, a0, a1):
14529 r"""set_is_optimized(Provenance self, FloatKey a0, bool a1)"""
14530 return _IMP_core.Provenance_set_is_optimized(self, a0, a1)
14532 def get_is_optimized(self, a0):
14533 r"""get_is_optimized(Provenance self, FloatKey a0) -> bool"""
14534 return _IMP_core.Provenance_get_is_optimized(self, a0)
14537 r"""get_check_level(Provenance self) -> IMP::CheckLevel"""
14538 return _IMP_core.Provenance_get_check_level(self)
14540 def __eq__(self, *args):
14542 __eq__(Provenance self, Provenance o) -> bool
14543 __eq__(Provenance self, Particle d) -> bool
14545 return _IMP_core.Provenance___eq__(self, *args)
14547 def __ne__(self, *args):
14549 __ne__(Provenance self, Provenance o) -> bool
14550 __ne__(Provenance self, Particle d) -> bool
14552 return _IMP_core.Provenance___ne__(self, *args)
14554 def __le__(self, *args):
14556 __le__(Provenance self, Provenance o) -> bool
14557 __le__(Provenance self, Particle d) -> bool
14559 return _IMP_core.Provenance___le__(self, *args)
14561 def __lt__(self, *args):
14563 __lt__(Provenance self, Provenance o) -> bool
14564 __lt__(Provenance self, Particle d) -> bool
14566 return _IMP_core.Provenance___lt__(self, *args)
14568 def __ge__(self, *args):
14570 __ge__(Provenance self, Provenance o) -> bool
14571 __ge__(Provenance self, Particle d) -> bool
14573 return _IMP_core.Provenance___ge__(self, *args)
14575 def __gt__(self, *args):
14577 __gt__(Provenance self, Provenance o) -> bool
14578 __gt__(Provenance self, Particle d) -> bool
14580 return _IMP_core.Provenance___gt__(self, *args)
14582 def __hash__(self):
14583 r"""__hash__(Provenance self) -> std::size_t"""
14584 return _IMP_core.Provenance___hash__(self)
14587 r"""__str__(Provenance self) -> std::string"""
14588 return _IMP_core.Provenance___str__(self)
14590 def __repr__(self):
14591 r"""__repr__(Provenance self) -> std::string"""
14592 return _IMP_core.Provenance___repr__(self)
14594 def _get_as_binary(self):
14595 r"""_get_as_binary(Provenance self) -> PyObject *"""
14596 return _IMP_core.Provenance__get_as_binary(self)
14598 def _set_from_binary(self, p):
14599 r"""_set_from_binary(Provenance self, PyObject * p)"""
14600 return _IMP_core.Provenance__set_from_binary(self, p)
14602 def __getstate__(self):
14603 p = self._get_as_binary()
14604 if len(self.__dict__) > 1:
14605 d = self.__dict__.copy()
14610 def __setstate__(self, p):
14611 if not hasattr(self,
'this'):
14613 if isinstance(p, tuple):
14615 self.__dict__.update(d)
14616 return self._set_from_binary(p)
14618 __swig_destroy__ = _IMP_core.delete_Provenance
14621 _IMP_core.Provenance_swigregister(Provenance)
14622 class StructureProvenance(Provenance):
14623 r"""Proxy of C++ IMP::core::StructureProvenance class."""
14625 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14627 def set_filename(self, filename):
14628 r"""set_filename(StructureProvenance self, std::string filename)"""
14629 return _IMP_core.StructureProvenance_set_filename(self, filename)
14631 def get_filename(self):
14632 r"""get_filename(StructureProvenance self) -> std::string"""
14633 return _IMP_core.StructureProvenance_get_filename(self)
14635 def set_chain_id(self, chain_id):
14636 r"""set_chain_id(StructureProvenance self, std::string chain_id)"""
14637 return _IMP_core.StructureProvenance_set_chain_id(self, chain_id)
14640 r"""get_chain_id(StructureProvenance self) -> std::string"""
14641 return _IMP_core.StructureProvenance_get_chain_id(self)
14643 def set_residue_offset(self, residue_offset):
14644 r"""set_residue_offset(StructureProvenance self, int residue_offset)"""
14645 return _IMP_core.StructureProvenance_set_residue_offset(self, residue_offset)
14647 def get_residue_offset(self):
14648 r"""get_residue_offset(StructureProvenance self) -> int"""
14649 return _IMP_core.StructureProvenance_get_residue_offset(self)
14651 def __init__(self, *args):
14653 __init__(StructureProvenance self) -> StructureProvenance
14654 __init__(StructureProvenance self, Model m, ParticleIndex id) -> StructureProvenance
14655 __init__(StructureProvenance self, _ParticleAdaptor d) -> StructureProvenance
14657 _IMP_core.StructureProvenance_swiginit(self, _IMP_core.new_StructureProvenance(*args))
14660 def get_is_setup(*args):
14662 get_is_setup(Model m, ParticleIndex pi) -> bool
14663 get_is_setup(_ParticleAdaptor p) -> bool
14665 return _IMP_core.StructureProvenance_get_is_setup(*args)
14667 def show(self, *args):
14668 r"""show(StructureProvenance self, _ostream out=std::cout)"""
14669 return _IMP_core.StructureProvenance_show(self, *args)
14672 def setup_particle(*args):
14674 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14675 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14676 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id) -> StructureProvenance
14677 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id) -> StructureProvenance
14678 setup_particle(Model m, ParticleIndex pi, StructureProvenance o) -> StructureProvenance
14679 setup_particle(_ParticleAdaptor pa, StructureProvenance o) -> StructureProvenance
14681 return _IMP_core.StructureProvenance_setup_particle(*args)
14683 def add_attribute(self, *args):
14685 add_attribute(StructureProvenance self, FloatKey k, IMP::Float v, bool opt)
14686 add_attribute(StructureProvenance self, FloatKey a0, IMP::Float a1)
14687 add_attribute(StructureProvenance self, IntKey a0, IMP::Int a1)
14688 add_attribute(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14689 add_attribute(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14690 add_attribute(StructureProvenance self, StringKey a0, IMP::String a1)
14691 add_attribute(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14692 add_attribute(StructureProvenance self, ObjectKey a0, Object a1)
14693 add_attribute(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14694 add_attribute(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14695 add_attribute(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14696 add_attribute(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14698 return _IMP_core.StructureProvenance_add_attribute(self, *args)
14700 def get_value(self, *args):
14702 get_value(StructureProvenance self, FloatKey a0) -> IMP::Float
14703 get_value(StructureProvenance self, IntKey a0) -> IMP::Int
14704 get_value(StructureProvenance self, FloatsKey a0) -> IMP::Floats
14705 get_value(StructureProvenance self, IntsKey a0) -> IMP::Ints
14706 get_value(StructureProvenance self, StringKey a0) -> IMP::String
14707 get_value(StructureProvenance self, ParticleIndexKey a0) -> Particle
14708 get_value(StructureProvenance self, ObjectKey a0) -> Object
14709 get_value(StructureProvenance self, SparseFloatKey a0) -> IMP::Float
14710 get_value(StructureProvenance self, SparseIntKey a0) -> IMP::Int
14711 get_value(StructureProvenance self, SparseStringKey a0) -> IMP::String
14712 get_value(StructureProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14714 return _IMP_core.StructureProvenance_get_value(self, *args)
14716 def set_value(self, *args):
14718 set_value(StructureProvenance self, FloatKey a0, IMP::Float a1)
14719 set_value(StructureProvenance self, IntKey a0, IMP::Int a1)
14720 set_value(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14721 set_value(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14722 set_value(StructureProvenance self, StringKey a0, IMP::String a1)
14723 set_value(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14724 set_value(StructureProvenance self, ObjectKey a0, Object a1)
14725 set_value(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14726 set_value(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14727 set_value(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14728 set_value(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14730 return _IMP_core.StructureProvenance_set_value(self, *args)
14732 def remove_attribute(self, *args):
14734 remove_attribute(StructureProvenance self, FloatKey a0)
14735 remove_attribute(StructureProvenance self, IntKey a0)
14736 remove_attribute(StructureProvenance self, FloatsKey a0)
14737 remove_attribute(StructureProvenance self, IntsKey a0)
14738 remove_attribute(StructureProvenance self, StringKey a0)
14739 remove_attribute(StructureProvenance self, ParticleIndexKey a0)
14740 remove_attribute(StructureProvenance self, ObjectKey a0)
14741 remove_attribute(StructureProvenance self, SparseFloatKey a0)
14742 remove_attribute(StructureProvenance self, SparseIntKey a0)
14743 remove_attribute(StructureProvenance self, SparseStringKey a0)
14744 remove_attribute(StructureProvenance self, SparseParticleIndexKey a0)
14746 return _IMP_core.StructureProvenance_remove_attribute(self, *args)
14748 def has_attribute(self, *args):
14750 has_attribute(StructureProvenance self, FloatKey a0) -> bool
14751 has_attribute(StructureProvenance self, IntKey a0) -> bool
14752 has_attribute(StructureProvenance self, FloatsKey a0) -> bool
14753 has_attribute(StructureProvenance self, IntsKey a0) -> bool
14754 has_attribute(StructureProvenance self, StringKey a0) -> bool
14755 has_attribute(StructureProvenance self, ParticleIndexKey a0) -> bool
14756 has_attribute(StructureProvenance self, ObjectKey a0) -> bool
14757 has_attribute(StructureProvenance self, SparseFloatKey a0) -> bool
14758 has_attribute(StructureProvenance self, SparseIntKey a0) -> bool
14759 has_attribute(StructureProvenance self, SparseStringKey a0) -> bool
14760 has_attribute(StructureProvenance self, SparseParticleIndexKey a0) -> bool
14762 return _IMP_core.StructureProvenance_has_attribute(self, *args)
14764 def get_derivative(self, a0):
14765 r"""get_derivative(StructureProvenance self, FloatKey a0) -> double"""
14766 return _IMP_core.StructureProvenance_get_derivative(self, a0)
14768 def get_name(self):
14769 r"""get_name(StructureProvenance self) -> std::string"""
14770 return _IMP_core.StructureProvenance_get_name(self)
14772 def clear_caches(self):
14773 r"""clear_caches(StructureProvenance self)"""
14774 return _IMP_core.StructureProvenance_clear_caches(self)
14776 def set_name(self, a0):
14777 r"""set_name(StructureProvenance self, std::string a0)"""
14778 return _IMP_core.StructureProvenance_set_name(self, a0)
14781 r"""set_check_level(StructureProvenance self, IMP::CheckLevel a0)"""
14782 return _IMP_core.StructureProvenance_set_check_level(self, a0)
14784 def add_to_derivative(self, a0, a1, a2):
14785 r"""add_to_derivative(StructureProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14786 return _IMP_core.StructureProvenance_add_to_derivative(self, a0, a1, a2)
14788 def set_is_optimized(self, a0, a1):
14789 r"""set_is_optimized(StructureProvenance self, FloatKey a0, bool a1)"""
14790 return _IMP_core.StructureProvenance_set_is_optimized(self, a0, a1)
14792 def get_is_optimized(self, a0):
14793 r"""get_is_optimized(StructureProvenance self, FloatKey a0) -> bool"""
14794 return _IMP_core.StructureProvenance_get_is_optimized(self, a0)
14797 r"""get_check_level(StructureProvenance self) -> IMP::CheckLevel"""
14798 return _IMP_core.StructureProvenance_get_check_level(self)
14800 def __eq__(self, *args):
14802 __eq__(StructureProvenance self, StructureProvenance o) -> bool
14803 __eq__(StructureProvenance self, Particle d) -> bool
14805 return _IMP_core.StructureProvenance___eq__(self, *args)
14807 def __ne__(self, *args):
14809 __ne__(StructureProvenance self, StructureProvenance o) -> bool
14810 __ne__(StructureProvenance self, Particle d) -> bool
14812 return _IMP_core.StructureProvenance___ne__(self, *args)
14814 def __le__(self, *args):
14816 __le__(StructureProvenance self, StructureProvenance o) -> bool
14817 __le__(StructureProvenance self, Particle d) -> bool
14819 return _IMP_core.StructureProvenance___le__(self, *args)
14821 def __lt__(self, *args):
14823 __lt__(StructureProvenance self, StructureProvenance o) -> bool
14824 __lt__(StructureProvenance self, Particle d) -> bool
14826 return _IMP_core.StructureProvenance___lt__(self, *args)
14828 def __ge__(self, *args):
14830 __ge__(StructureProvenance self, StructureProvenance o) -> bool
14831 __ge__(StructureProvenance self, Particle d) -> bool
14833 return _IMP_core.StructureProvenance___ge__(self, *args)
14835 def __gt__(self, *args):
14837 __gt__(StructureProvenance self, StructureProvenance o) -> bool
14838 __gt__(StructureProvenance self, Particle d) -> bool
14840 return _IMP_core.StructureProvenance___gt__(self, *args)
14842 def __hash__(self):
14843 r"""__hash__(StructureProvenance self) -> std::size_t"""
14844 return _IMP_core.StructureProvenance___hash__(self)
14847 r"""__str__(StructureProvenance self) -> std::string"""
14848 return _IMP_core.StructureProvenance___str__(self)
14850 def __repr__(self):
14851 r"""__repr__(StructureProvenance self) -> std::string"""
14852 return _IMP_core.StructureProvenance___repr__(self)
14854 def _get_as_binary(self):
14855 r"""_get_as_binary(StructureProvenance self) -> PyObject *"""
14856 return _IMP_core.StructureProvenance__get_as_binary(self)
14858 def _set_from_binary(self, p):
14859 r"""_set_from_binary(StructureProvenance self, PyObject * p)"""
14860 return _IMP_core.StructureProvenance__set_from_binary(self, p)
14862 def __getstate__(self):
14863 p = self._get_as_binary()
14864 if len(self.__dict__) > 1:
14865 d = self.__dict__.copy()
14870 def __setstate__(self, p):
14871 if not hasattr(self,
'this'):
14873 if isinstance(p, tuple):
14875 self.__dict__.update(d)
14876 return self._set_from_binary(p)
14878 __swig_destroy__ = _IMP_core.delete_StructureProvenance
14881 _IMP_core.StructureProvenance_swigregister(StructureProvenance)
14882 class SampleProvenance(Provenance):
14883 r"""Proxy of C++ IMP::core::SampleProvenance class."""
14885 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14887 def set_method(self, method):
14888 r"""set_method(SampleProvenance self, std::string method)"""
14889 return _IMP_core.SampleProvenance_set_method(self, method)
14891 def get_method(self):
14892 r"""get_method(SampleProvenance self) -> std::string"""
14893 return _IMP_core.SampleProvenance_get_method(self)
14895 def set_number_of_frames(self, frames):
14896 r"""set_number_of_frames(SampleProvenance self, int frames)"""
14897 return _IMP_core.SampleProvenance_set_number_of_frames(self, frames)
14900 r"""get_number_of_frames(SampleProvenance self) -> int"""
14901 return _IMP_core.SampleProvenance_get_number_of_frames(self)
14903 def set_number_of_iterations(self, iterations):
14904 r"""set_number_of_iterations(SampleProvenance self, int iterations)"""
14905 return _IMP_core.SampleProvenance_set_number_of_iterations(self, iterations)
14907 def get_number_of_iterations(self):
14908 r"""get_number_of_iterations(SampleProvenance self) -> int"""
14909 return _IMP_core.SampleProvenance_get_number_of_iterations(self)
14911 def set_number_of_replicas(self, replicas):
14912 r"""set_number_of_replicas(SampleProvenance self, int replicas)"""
14913 return _IMP_core.SampleProvenance_set_number_of_replicas(self, replicas)
14915 def get_number_of_replicas(self):
14916 r"""get_number_of_replicas(SampleProvenance self) -> int"""
14917 return _IMP_core.SampleProvenance_get_number_of_replicas(self)
14919 def __init__(self, *args):
14921 __init__(SampleProvenance self) -> SampleProvenance
14922 __init__(SampleProvenance self, Model m, ParticleIndex id) -> SampleProvenance
14923 __init__(SampleProvenance self, _ParticleAdaptor d) -> SampleProvenance
14925 _IMP_core.SampleProvenance_swiginit(self, _IMP_core.new_SampleProvenance(*args))
14928 def get_is_setup(*args):
14930 get_is_setup(Model m, ParticleIndex pi) -> bool
14931 get_is_setup(_ParticleAdaptor p) -> bool
14933 return _IMP_core.SampleProvenance_get_is_setup(*args)
14935 def show(self, *args):
14936 r"""show(SampleProvenance self, _ostream out=std::cout)"""
14937 return _IMP_core.SampleProvenance_show(self, *args)
14940 def setup_particle(*args):
14942 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
14943 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
14944 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations) -> SampleProvenance
14945 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations) -> SampleProvenance
14946 setup_particle(Model m, ParticleIndex pi, SampleProvenance o) -> SampleProvenance
14947 setup_particle(_ParticleAdaptor pa, SampleProvenance o) -> SampleProvenance
14949 return _IMP_core.SampleProvenance_setup_particle(*args)
14951 def add_attribute(self, *args):
14953 add_attribute(SampleProvenance self, FloatKey k, IMP::Float v, bool opt)
14954 add_attribute(SampleProvenance self, FloatKey a0, IMP::Float a1)
14955 add_attribute(SampleProvenance self, IntKey a0, IMP::Int a1)
14956 add_attribute(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
14957 add_attribute(SampleProvenance self, IntsKey a0, IMP::Ints a1)
14958 add_attribute(SampleProvenance self, StringKey a0, IMP::String a1)
14959 add_attribute(SampleProvenance self, ParticleIndexKey a0, Particle a1)
14960 add_attribute(SampleProvenance self, ObjectKey a0, Object a1)
14961 add_attribute(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
14962 add_attribute(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
14963 add_attribute(SampleProvenance self, SparseStringKey a0, IMP::String a1)
14964 add_attribute(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14966 return _IMP_core.SampleProvenance_add_attribute(self, *args)
14968 def get_value(self, *args):
14970 get_value(SampleProvenance self, FloatKey a0) -> IMP::Float
14971 get_value(SampleProvenance self, IntKey a0) -> IMP::Int
14972 get_value(SampleProvenance self, FloatsKey a0) -> IMP::Floats
14973 get_value(SampleProvenance self, IntsKey a0) -> IMP::Ints
14974 get_value(SampleProvenance self, StringKey a0) -> IMP::String
14975 get_value(SampleProvenance self, ParticleIndexKey a0) -> Particle
14976 get_value(SampleProvenance self, ObjectKey a0) -> Object
14977 get_value(SampleProvenance self, SparseFloatKey a0) -> IMP::Float
14978 get_value(SampleProvenance self, SparseIntKey a0) -> IMP::Int
14979 get_value(SampleProvenance self, SparseStringKey a0) -> IMP::String
14980 get_value(SampleProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14982 return _IMP_core.SampleProvenance_get_value(self, *args)
14984 def set_value(self, *args):
14986 set_value(SampleProvenance self, FloatKey a0, IMP::Float a1)
14987 set_value(SampleProvenance self, IntKey a0, IMP::Int a1)
14988 set_value(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
14989 set_value(SampleProvenance self, IntsKey a0, IMP::Ints a1)
14990 set_value(SampleProvenance self, StringKey a0, IMP::String a1)
14991 set_value(SampleProvenance self, ParticleIndexKey a0, Particle a1)
14992 set_value(SampleProvenance self, ObjectKey a0, Object a1)
14993 set_value(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
14994 set_value(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
14995 set_value(SampleProvenance self, SparseStringKey a0, IMP::String a1)
14996 set_value(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14998 return _IMP_core.SampleProvenance_set_value(self, *args)
15000 def remove_attribute(self, *args):
15002 remove_attribute(SampleProvenance self, FloatKey a0)
15003 remove_attribute(SampleProvenance self, IntKey a0)
15004 remove_attribute(SampleProvenance self, FloatsKey a0)
15005 remove_attribute(SampleProvenance self, IntsKey a0)
15006 remove_attribute(SampleProvenance self, StringKey a0)
15007 remove_attribute(SampleProvenance self, ParticleIndexKey a0)
15008 remove_attribute(SampleProvenance self, ObjectKey a0)
15009 remove_attribute(SampleProvenance self, SparseFloatKey a0)
15010 remove_attribute(SampleProvenance self, SparseIntKey a0)
15011 remove_attribute(SampleProvenance self, SparseStringKey a0)
15012 remove_attribute(SampleProvenance self, SparseParticleIndexKey a0)
15014 return _IMP_core.SampleProvenance_remove_attribute(self, *args)
15016 def has_attribute(self, *args):
15018 has_attribute(SampleProvenance self, FloatKey a0) -> bool
15019 has_attribute(SampleProvenance self, IntKey a0) -> bool
15020 has_attribute(SampleProvenance self, FloatsKey a0) -> bool
15021 has_attribute(SampleProvenance self, IntsKey a0) -> bool
15022 has_attribute(SampleProvenance self, StringKey a0) -> bool
15023 has_attribute(SampleProvenance self, ParticleIndexKey a0) -> bool
15024 has_attribute(SampleProvenance self, ObjectKey a0) -> bool
15025 has_attribute(SampleProvenance self, SparseFloatKey a0) -> bool
15026 has_attribute(SampleProvenance self, SparseIntKey a0) -> bool
15027 has_attribute(SampleProvenance self, SparseStringKey a0) -> bool
15028 has_attribute(SampleProvenance self, SparseParticleIndexKey a0) -> bool
15030 return _IMP_core.SampleProvenance_has_attribute(self, *args)
15032 def get_derivative(self, a0):
15033 r"""get_derivative(SampleProvenance self, FloatKey a0) -> double"""
15034 return _IMP_core.SampleProvenance_get_derivative(self, a0)
15036 def get_name(self):
15037 r"""get_name(SampleProvenance self) -> std::string"""
15038 return _IMP_core.SampleProvenance_get_name(self)
15040 def clear_caches(self):
15041 r"""clear_caches(SampleProvenance self)"""
15042 return _IMP_core.SampleProvenance_clear_caches(self)
15044 def set_name(self, a0):
15045 r"""set_name(SampleProvenance self, std::string a0)"""
15046 return _IMP_core.SampleProvenance_set_name(self, a0)
15049 r"""set_check_level(SampleProvenance self, IMP::CheckLevel a0)"""
15050 return _IMP_core.SampleProvenance_set_check_level(self, a0)
15052 def add_to_derivative(self, a0, a1, a2):
15053 r"""add_to_derivative(SampleProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15054 return _IMP_core.SampleProvenance_add_to_derivative(self, a0, a1, a2)
15056 def set_is_optimized(self, a0, a1):
15057 r"""set_is_optimized(SampleProvenance self, FloatKey a0, bool a1)"""
15058 return _IMP_core.SampleProvenance_set_is_optimized(self, a0, a1)
15060 def get_is_optimized(self, a0):
15061 r"""get_is_optimized(SampleProvenance self, FloatKey a0) -> bool"""
15062 return _IMP_core.SampleProvenance_get_is_optimized(self, a0)
15065 r"""get_check_level(SampleProvenance self) -> IMP::CheckLevel"""
15066 return _IMP_core.SampleProvenance_get_check_level(self)
15068 def __eq__(self, *args):
15070 __eq__(SampleProvenance self, SampleProvenance o) -> bool
15071 __eq__(SampleProvenance self, Particle d) -> bool
15073 return _IMP_core.SampleProvenance___eq__(self, *args)
15075 def __ne__(self, *args):
15077 __ne__(SampleProvenance self, SampleProvenance o) -> bool
15078 __ne__(SampleProvenance self, Particle d) -> bool
15080 return _IMP_core.SampleProvenance___ne__(self, *args)
15082 def __le__(self, *args):
15084 __le__(SampleProvenance self, SampleProvenance o) -> bool
15085 __le__(SampleProvenance self, Particle d) -> bool
15087 return _IMP_core.SampleProvenance___le__(self, *args)
15089 def __lt__(self, *args):
15091 __lt__(SampleProvenance self, SampleProvenance o) -> bool
15092 __lt__(SampleProvenance self, Particle d) -> bool
15094 return _IMP_core.SampleProvenance___lt__(self, *args)
15096 def __ge__(self, *args):
15098 __ge__(SampleProvenance self, SampleProvenance o) -> bool
15099 __ge__(SampleProvenance self, Particle d) -> bool
15101 return _IMP_core.SampleProvenance___ge__(self, *args)
15103 def __gt__(self, *args):
15105 __gt__(SampleProvenance self, SampleProvenance o) -> bool
15106 __gt__(SampleProvenance self, Particle d) -> bool
15108 return _IMP_core.SampleProvenance___gt__(self, *args)
15110 def __hash__(self):
15111 r"""__hash__(SampleProvenance self) -> std::size_t"""
15112 return _IMP_core.SampleProvenance___hash__(self)
15115 r"""__str__(SampleProvenance self) -> std::string"""
15116 return _IMP_core.SampleProvenance___str__(self)
15118 def __repr__(self):
15119 r"""__repr__(SampleProvenance self) -> std::string"""
15120 return _IMP_core.SampleProvenance___repr__(self)
15122 def _get_as_binary(self):
15123 r"""_get_as_binary(SampleProvenance self) -> PyObject *"""
15124 return _IMP_core.SampleProvenance__get_as_binary(self)
15126 def _set_from_binary(self, p):
15127 r"""_set_from_binary(SampleProvenance self, PyObject * p)"""
15128 return _IMP_core.SampleProvenance__set_from_binary(self, p)
15130 def __getstate__(self):
15131 p = self._get_as_binary()
15132 if len(self.__dict__) > 1:
15133 d = self.__dict__.copy()
15138 def __setstate__(self, p):
15139 if not hasattr(self,
'this'):
15141 if isinstance(p, tuple):
15143 self.__dict__.update(d)
15144 return self._set_from_binary(p)
15146 __swig_destroy__ = _IMP_core.delete_SampleProvenance
15149 _IMP_core.SampleProvenance_swigregister(SampleProvenance)
15150 class CombineProvenance(Provenance):
15151 r"""Proxy of C++ IMP::core::CombineProvenance class."""
15153 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15155 def set_number_of_frames(self, frames):
15156 r"""set_number_of_frames(CombineProvenance self, int frames)"""
15157 return _IMP_core.CombineProvenance_set_number_of_frames(self, frames)
15160 r"""get_number_of_frames(CombineProvenance self) -> int"""
15161 return _IMP_core.CombineProvenance_get_number_of_frames(self)
15163 def set_number_of_runs(self, runs):
15164 r"""set_number_of_runs(CombineProvenance self, int runs)"""
15165 return _IMP_core.CombineProvenance_set_number_of_runs(self, runs)
15167 def get_number_of_runs(self):
15168 r"""get_number_of_runs(CombineProvenance self) -> int"""
15169 return _IMP_core.CombineProvenance_get_number_of_runs(self)
15171 def __init__(self, *args):
15173 __init__(CombineProvenance self) -> CombineProvenance
15174 __init__(CombineProvenance self, Model m, ParticleIndex id) -> CombineProvenance
15175 __init__(CombineProvenance self, _ParticleAdaptor d) -> CombineProvenance
15177 _IMP_core.CombineProvenance_swiginit(self, _IMP_core.new_CombineProvenance(*args))
15180 def get_is_setup(*args):
15182 get_is_setup(Model m, ParticleIndex pi) -> bool
15183 get_is_setup(_ParticleAdaptor p) -> bool
15185 return _IMP_core.CombineProvenance_get_is_setup(*args)
15187 def show(self, *args):
15188 r"""show(CombineProvenance self, _ostream out=std::cout)"""
15189 return _IMP_core.CombineProvenance_show(self, *args)
15192 def setup_particle(*args):
15194 setup_particle(Model m, ParticleIndex pi, int runs, int frames) -> CombineProvenance
15195 setup_particle(_ParticleAdaptor pa, int runs, int frames) -> CombineProvenance
15196 setup_particle(Model m, ParticleIndex pi, CombineProvenance o) -> CombineProvenance
15197 setup_particle(_ParticleAdaptor pa, CombineProvenance o) -> CombineProvenance
15199 return _IMP_core.CombineProvenance_setup_particle(*args)
15201 def add_attribute(self, *args):
15203 add_attribute(CombineProvenance self, FloatKey k, IMP::Float v, bool opt)
15204 add_attribute(CombineProvenance self, FloatKey a0, IMP::Float a1)
15205 add_attribute(CombineProvenance self, IntKey a0, IMP::Int a1)
15206 add_attribute(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
15207 add_attribute(CombineProvenance self, IntsKey a0, IMP::Ints a1)
15208 add_attribute(CombineProvenance self, StringKey a0, IMP::String a1)
15209 add_attribute(CombineProvenance self, ParticleIndexKey a0, Particle a1)
15210 add_attribute(CombineProvenance self, ObjectKey a0, Object a1)
15211 add_attribute(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
15212 add_attribute(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
15213 add_attribute(CombineProvenance self, SparseStringKey a0, IMP::String a1)
15214 add_attribute(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15216 return _IMP_core.CombineProvenance_add_attribute(self, *args)
15218 def get_value(self, *args):
15220 get_value(CombineProvenance self, FloatKey a0) -> IMP::Float
15221 get_value(CombineProvenance self, IntKey a0) -> IMP::Int
15222 get_value(CombineProvenance self, FloatsKey a0) -> IMP::Floats
15223 get_value(CombineProvenance self, IntsKey a0) -> IMP::Ints
15224 get_value(CombineProvenance self, StringKey a0) -> IMP::String
15225 get_value(CombineProvenance self, ParticleIndexKey a0) -> Particle
15226 get_value(CombineProvenance self, ObjectKey a0) -> Object
15227 get_value(CombineProvenance self, SparseFloatKey a0) -> IMP::Float
15228 get_value(CombineProvenance self, SparseIntKey a0) -> IMP::Int
15229 get_value(CombineProvenance self, SparseStringKey a0) -> IMP::String
15230 get_value(CombineProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15232 return _IMP_core.CombineProvenance_get_value(self, *args)
15234 def set_value(self, *args):
15236 set_value(CombineProvenance self, FloatKey a0, IMP::Float a1)
15237 set_value(CombineProvenance self, IntKey a0, IMP::Int a1)
15238 set_value(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
15239 set_value(CombineProvenance self, IntsKey a0, IMP::Ints a1)
15240 set_value(CombineProvenance self, StringKey a0, IMP::String a1)
15241 set_value(CombineProvenance self, ParticleIndexKey a0, Particle a1)
15242 set_value(CombineProvenance self, ObjectKey a0, Object a1)
15243 set_value(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
15244 set_value(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
15245 set_value(CombineProvenance self, SparseStringKey a0, IMP::String a1)
15246 set_value(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15248 return _IMP_core.CombineProvenance_set_value(self, *args)
15250 def remove_attribute(self, *args):
15252 remove_attribute(CombineProvenance self, FloatKey a0)
15253 remove_attribute(CombineProvenance self, IntKey a0)
15254 remove_attribute(CombineProvenance self, FloatsKey a0)
15255 remove_attribute(CombineProvenance self, IntsKey a0)
15256 remove_attribute(CombineProvenance self, StringKey a0)
15257 remove_attribute(CombineProvenance self, ParticleIndexKey a0)
15258 remove_attribute(CombineProvenance self, ObjectKey a0)
15259 remove_attribute(CombineProvenance self, SparseFloatKey a0)
15260 remove_attribute(CombineProvenance self, SparseIntKey a0)
15261 remove_attribute(CombineProvenance self, SparseStringKey a0)
15262 remove_attribute(CombineProvenance self, SparseParticleIndexKey a0)
15264 return _IMP_core.CombineProvenance_remove_attribute(self, *args)
15266 def has_attribute(self, *args):
15268 has_attribute(CombineProvenance self, FloatKey a0) -> bool
15269 has_attribute(CombineProvenance self, IntKey a0) -> bool
15270 has_attribute(CombineProvenance self, FloatsKey a0) -> bool
15271 has_attribute(CombineProvenance self, IntsKey a0) -> bool
15272 has_attribute(CombineProvenance self, StringKey a0) -> bool
15273 has_attribute(CombineProvenance self, ParticleIndexKey a0) -> bool
15274 has_attribute(CombineProvenance self, ObjectKey a0) -> bool
15275 has_attribute(CombineProvenance self, SparseFloatKey a0) -> bool
15276 has_attribute(CombineProvenance self, SparseIntKey a0) -> bool
15277 has_attribute(CombineProvenance self, SparseStringKey a0) -> bool
15278 has_attribute(CombineProvenance self, SparseParticleIndexKey a0) -> bool
15280 return _IMP_core.CombineProvenance_has_attribute(self, *args)
15282 def get_derivative(self, a0):
15283 r"""get_derivative(CombineProvenance self, FloatKey a0) -> double"""
15284 return _IMP_core.CombineProvenance_get_derivative(self, a0)
15286 def get_name(self):
15287 r"""get_name(CombineProvenance self) -> std::string"""
15288 return _IMP_core.CombineProvenance_get_name(self)
15290 def clear_caches(self):
15291 r"""clear_caches(CombineProvenance self)"""
15292 return _IMP_core.CombineProvenance_clear_caches(self)
15294 def set_name(self, a0):
15295 r"""set_name(CombineProvenance self, std::string a0)"""
15296 return _IMP_core.CombineProvenance_set_name(self, a0)
15299 r"""set_check_level(CombineProvenance self, IMP::CheckLevel a0)"""
15300 return _IMP_core.CombineProvenance_set_check_level(self, a0)
15302 def add_to_derivative(self, a0, a1, a2):
15303 r"""add_to_derivative(CombineProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15304 return _IMP_core.CombineProvenance_add_to_derivative(self, a0, a1, a2)
15306 def set_is_optimized(self, a0, a1):
15307 r"""set_is_optimized(CombineProvenance self, FloatKey a0, bool a1)"""
15308 return _IMP_core.CombineProvenance_set_is_optimized(self, a0, a1)
15310 def get_is_optimized(self, a0):
15311 r"""get_is_optimized(CombineProvenance self, FloatKey a0) -> bool"""
15312 return _IMP_core.CombineProvenance_get_is_optimized(self, a0)
15315 r"""get_check_level(CombineProvenance self) -> IMP::CheckLevel"""
15316 return _IMP_core.CombineProvenance_get_check_level(self)
15318 def __eq__(self, *args):
15320 __eq__(CombineProvenance self, CombineProvenance o) -> bool
15321 __eq__(CombineProvenance self, Particle d) -> bool
15323 return _IMP_core.CombineProvenance___eq__(self, *args)
15325 def __ne__(self, *args):
15327 __ne__(CombineProvenance self, CombineProvenance o) -> bool
15328 __ne__(CombineProvenance self, Particle d) -> bool
15330 return _IMP_core.CombineProvenance___ne__(self, *args)
15332 def __le__(self, *args):
15334 __le__(CombineProvenance self, CombineProvenance o) -> bool
15335 __le__(CombineProvenance self, Particle d) -> bool
15337 return _IMP_core.CombineProvenance___le__(self, *args)
15339 def __lt__(self, *args):
15341 __lt__(CombineProvenance self, CombineProvenance o) -> bool
15342 __lt__(CombineProvenance self, Particle d) -> bool
15344 return _IMP_core.CombineProvenance___lt__(self, *args)
15346 def __ge__(self, *args):
15348 __ge__(CombineProvenance self, CombineProvenance o) -> bool
15349 __ge__(CombineProvenance self, Particle d) -> bool
15351 return _IMP_core.CombineProvenance___ge__(self, *args)
15353 def __gt__(self, *args):
15355 __gt__(CombineProvenance self, CombineProvenance o) -> bool
15356 __gt__(CombineProvenance self, Particle d) -> bool
15358 return _IMP_core.CombineProvenance___gt__(self, *args)
15360 def __hash__(self):
15361 r"""__hash__(CombineProvenance self) -> std::size_t"""
15362 return _IMP_core.CombineProvenance___hash__(self)
15365 r"""__str__(CombineProvenance self) -> std::string"""
15366 return _IMP_core.CombineProvenance___str__(self)
15368 def __repr__(self):
15369 r"""__repr__(CombineProvenance self) -> std::string"""
15370 return _IMP_core.CombineProvenance___repr__(self)
15372 def _get_as_binary(self):
15373 r"""_get_as_binary(CombineProvenance self) -> PyObject *"""
15374 return _IMP_core.CombineProvenance__get_as_binary(self)
15376 def _set_from_binary(self, p):
15377 r"""_set_from_binary(CombineProvenance self, PyObject * p)"""
15378 return _IMP_core.CombineProvenance__set_from_binary(self, p)
15380 def __getstate__(self):
15381 p = self._get_as_binary()
15382 if len(self.__dict__) > 1:
15383 d = self.__dict__.copy()
15388 def __setstate__(self, p):
15389 if not hasattr(self,
'this'):
15391 if isinstance(p, tuple):
15393 self.__dict__.update(d)
15394 return self._set_from_binary(p)
15396 __swig_destroy__ = _IMP_core.delete_CombineProvenance
15399 _IMP_core.CombineProvenance_swigregister(CombineProvenance)
15400 class FilterProvenance(Provenance):
15401 r"""Proxy of C++ IMP::core::FilterProvenance class."""
15403 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15405 def set_method(self, method):
15406 r"""set_method(FilterProvenance self, std::string method)"""
15407 return _IMP_core.FilterProvenance_set_method(self, method)
15409 def get_method(self):
15410 r"""get_method(FilterProvenance self) -> std::string"""
15411 return _IMP_core.FilterProvenance_get_method(self)
15413 def set_number_of_frames(self, frames):
15414 r"""set_number_of_frames(FilterProvenance self, int frames)"""
15415 return _IMP_core.FilterProvenance_set_number_of_frames(self, frames)
15418 r"""get_number_of_frames(FilterProvenance self) -> int"""
15419 return _IMP_core.FilterProvenance_get_number_of_frames(self)
15421 def set_threshold(self, threshold):
15422 r"""set_threshold(FilterProvenance self, double threshold)"""
15423 return _IMP_core.FilterProvenance_set_threshold(self, threshold)
15425 def get_threshold(self):
15426 r"""get_threshold(FilterProvenance self) -> double"""
15427 return _IMP_core.FilterProvenance_get_threshold(self)
15429 def __init__(self, *args):
15431 __init__(FilterProvenance self) -> FilterProvenance
15432 __init__(FilterProvenance self, Model m, ParticleIndex id) -> FilterProvenance
15433 __init__(FilterProvenance self, _ParticleAdaptor d) -> FilterProvenance
15435 _IMP_core.FilterProvenance_swiginit(self, _IMP_core.new_FilterProvenance(*args))
15438 def get_is_setup(*args):
15440 get_is_setup(Model m, ParticleIndex pi) -> bool
15441 get_is_setup(_ParticleAdaptor p) -> bool
15443 return _IMP_core.FilterProvenance_get_is_setup(*args)
15445 def show(self, *args):
15446 r"""show(FilterProvenance self, _ostream out=std::cout)"""
15447 return _IMP_core.FilterProvenance_show(self, *args)
15450 def setup_particle(*args):
15452 setup_particle(Model m, ParticleIndex pi, std::string method, double threshold, int frames) -> FilterProvenance
15453 setup_particle(_ParticleAdaptor pa, std::string method, double threshold, int frames) -> FilterProvenance
15454 setup_particle(Model m, ParticleIndex pi, FilterProvenance o) -> FilterProvenance
15455 setup_particle(_ParticleAdaptor pa, FilterProvenance o) -> FilterProvenance
15457 return _IMP_core.FilterProvenance_setup_particle(*args)
15459 def add_attribute(self, *args):
15461 add_attribute(FilterProvenance self, FloatKey k, IMP::Float v, bool opt)
15462 add_attribute(FilterProvenance self, FloatKey a0, IMP::Float a1)
15463 add_attribute(FilterProvenance self, IntKey a0, IMP::Int a1)
15464 add_attribute(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
15465 add_attribute(FilterProvenance self, IntsKey a0, IMP::Ints a1)
15466 add_attribute(FilterProvenance self, StringKey a0, IMP::String a1)
15467 add_attribute(FilterProvenance self, ParticleIndexKey a0, Particle a1)
15468 add_attribute(FilterProvenance self, ObjectKey a0, Object a1)
15469 add_attribute(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
15470 add_attribute(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
15471 add_attribute(FilterProvenance self, SparseStringKey a0, IMP::String a1)
15472 add_attribute(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15474 return _IMP_core.FilterProvenance_add_attribute(self, *args)
15476 def get_value(self, *args):
15478 get_value(FilterProvenance self, FloatKey a0) -> IMP::Float
15479 get_value(FilterProvenance self, IntKey a0) -> IMP::Int
15480 get_value(FilterProvenance self, FloatsKey a0) -> IMP::Floats
15481 get_value(FilterProvenance self, IntsKey a0) -> IMP::Ints
15482 get_value(FilterProvenance self, StringKey a0) -> IMP::String
15483 get_value(FilterProvenance self, ParticleIndexKey a0) -> Particle
15484 get_value(FilterProvenance self, ObjectKey a0) -> Object
15485 get_value(FilterProvenance self, SparseFloatKey a0) -> IMP::Float
15486 get_value(FilterProvenance self, SparseIntKey a0) -> IMP::Int
15487 get_value(FilterProvenance self, SparseStringKey a0) -> IMP::String
15488 get_value(FilterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15490 return _IMP_core.FilterProvenance_get_value(self, *args)
15492 def set_value(self, *args):
15494 set_value(FilterProvenance self, FloatKey a0, IMP::Float a1)
15495 set_value(FilterProvenance self, IntKey a0, IMP::Int a1)
15496 set_value(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
15497 set_value(FilterProvenance self, IntsKey a0, IMP::Ints a1)
15498 set_value(FilterProvenance self, StringKey a0, IMP::String a1)
15499 set_value(FilterProvenance self, ParticleIndexKey a0, Particle a1)
15500 set_value(FilterProvenance self, ObjectKey a0, Object a1)
15501 set_value(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
15502 set_value(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
15503 set_value(FilterProvenance self, SparseStringKey a0, IMP::String a1)
15504 set_value(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15506 return _IMP_core.FilterProvenance_set_value(self, *args)
15508 def remove_attribute(self, *args):
15510 remove_attribute(FilterProvenance self, FloatKey a0)
15511 remove_attribute(FilterProvenance self, IntKey a0)
15512 remove_attribute(FilterProvenance self, FloatsKey a0)
15513 remove_attribute(FilterProvenance self, IntsKey a0)
15514 remove_attribute(FilterProvenance self, StringKey a0)
15515 remove_attribute(FilterProvenance self, ParticleIndexKey a0)
15516 remove_attribute(FilterProvenance self, ObjectKey a0)
15517 remove_attribute(FilterProvenance self, SparseFloatKey a0)
15518 remove_attribute(FilterProvenance self, SparseIntKey a0)
15519 remove_attribute(FilterProvenance self, SparseStringKey a0)
15520 remove_attribute(FilterProvenance self, SparseParticleIndexKey a0)
15522 return _IMP_core.FilterProvenance_remove_attribute(self, *args)
15524 def has_attribute(self, *args):
15526 has_attribute(FilterProvenance self, FloatKey a0) -> bool
15527 has_attribute(FilterProvenance self, IntKey a0) -> bool
15528 has_attribute(FilterProvenance self, FloatsKey a0) -> bool
15529 has_attribute(FilterProvenance self, IntsKey a0) -> bool
15530 has_attribute(FilterProvenance self, StringKey a0) -> bool
15531 has_attribute(FilterProvenance self, ParticleIndexKey a0) -> bool
15532 has_attribute(FilterProvenance self, ObjectKey a0) -> bool
15533 has_attribute(FilterProvenance self, SparseFloatKey a0) -> bool
15534 has_attribute(FilterProvenance self, SparseIntKey a0) -> bool
15535 has_attribute(FilterProvenance self, SparseStringKey a0) -> bool
15536 has_attribute(FilterProvenance self, SparseParticleIndexKey a0) -> bool
15538 return _IMP_core.FilterProvenance_has_attribute(self, *args)
15540 def get_derivative(self, a0):
15541 r"""get_derivative(FilterProvenance self, FloatKey a0) -> double"""
15542 return _IMP_core.FilterProvenance_get_derivative(self, a0)
15544 def get_name(self):
15545 r"""get_name(FilterProvenance self) -> std::string"""
15546 return _IMP_core.FilterProvenance_get_name(self)
15548 def clear_caches(self):
15549 r"""clear_caches(FilterProvenance self)"""
15550 return _IMP_core.FilterProvenance_clear_caches(self)
15552 def set_name(self, a0):
15553 r"""set_name(FilterProvenance self, std::string a0)"""
15554 return _IMP_core.FilterProvenance_set_name(self, a0)
15557 r"""set_check_level(FilterProvenance self, IMP::CheckLevel a0)"""
15558 return _IMP_core.FilterProvenance_set_check_level(self, a0)
15560 def add_to_derivative(self, a0, a1, a2):
15561 r"""add_to_derivative(FilterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15562 return _IMP_core.FilterProvenance_add_to_derivative(self, a0, a1, a2)
15564 def set_is_optimized(self, a0, a1):
15565 r"""set_is_optimized(FilterProvenance self, FloatKey a0, bool a1)"""
15566 return _IMP_core.FilterProvenance_set_is_optimized(self, a0, a1)
15568 def get_is_optimized(self, a0):
15569 r"""get_is_optimized(FilterProvenance self, FloatKey a0) -> bool"""
15570 return _IMP_core.FilterProvenance_get_is_optimized(self, a0)
15573 r"""get_check_level(FilterProvenance self) -> IMP::CheckLevel"""
15574 return _IMP_core.FilterProvenance_get_check_level(self)
15576 def __eq__(self, *args):
15578 __eq__(FilterProvenance self, FilterProvenance o) -> bool
15579 __eq__(FilterProvenance self, Particle d) -> bool
15581 return _IMP_core.FilterProvenance___eq__(self, *args)
15583 def __ne__(self, *args):
15585 __ne__(FilterProvenance self, FilterProvenance o) -> bool
15586 __ne__(FilterProvenance self, Particle d) -> bool
15588 return _IMP_core.FilterProvenance___ne__(self, *args)
15590 def __le__(self, *args):
15592 __le__(FilterProvenance self, FilterProvenance o) -> bool
15593 __le__(FilterProvenance self, Particle d) -> bool
15595 return _IMP_core.FilterProvenance___le__(self, *args)
15597 def __lt__(self, *args):
15599 __lt__(FilterProvenance self, FilterProvenance o) -> bool
15600 __lt__(FilterProvenance self, Particle d) -> bool
15602 return _IMP_core.FilterProvenance___lt__(self, *args)
15604 def __ge__(self, *args):
15606 __ge__(FilterProvenance self, FilterProvenance o) -> bool
15607 __ge__(FilterProvenance self, Particle d) -> bool
15609 return _IMP_core.FilterProvenance___ge__(self, *args)
15611 def __gt__(self, *args):
15613 __gt__(FilterProvenance self, FilterProvenance o) -> bool
15614 __gt__(FilterProvenance self, Particle d) -> bool
15616 return _IMP_core.FilterProvenance___gt__(self, *args)
15618 def __hash__(self):
15619 r"""__hash__(FilterProvenance self) -> std::size_t"""
15620 return _IMP_core.FilterProvenance___hash__(self)
15623 r"""__str__(FilterProvenance self) -> std::string"""
15624 return _IMP_core.FilterProvenance___str__(self)
15626 def __repr__(self):
15627 r"""__repr__(FilterProvenance self) -> std::string"""
15628 return _IMP_core.FilterProvenance___repr__(self)
15630 def _get_as_binary(self):
15631 r"""_get_as_binary(FilterProvenance self) -> PyObject *"""
15632 return _IMP_core.FilterProvenance__get_as_binary(self)
15634 def _set_from_binary(self, p):
15635 r"""_set_from_binary(FilterProvenance self, PyObject * p)"""
15636 return _IMP_core.FilterProvenance__set_from_binary(self, p)
15638 def __getstate__(self):
15639 p = self._get_as_binary()
15640 if len(self.__dict__) > 1:
15641 d = self.__dict__.copy()
15646 def __setstate__(self, p):
15647 if not hasattr(self,
'this'):
15649 if isinstance(p, tuple):
15651 self.__dict__.update(d)
15652 return self._set_from_binary(p)
15654 __swig_destroy__ = _IMP_core.delete_FilterProvenance
15657 _IMP_core.FilterProvenance_swigregister(FilterProvenance)
15658 class ClusterProvenance(Provenance):
15659 r"""Proxy of C++ IMP::core::ClusterProvenance class."""
15661 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15663 def set_number_of_members(self, members):
15664 r"""set_number_of_members(ClusterProvenance self, int members)"""
15665 return _IMP_core.ClusterProvenance_set_number_of_members(self, members)
15667 def get_number_of_members(self):
15668 r"""get_number_of_members(ClusterProvenance self) -> int"""
15669 return _IMP_core.ClusterProvenance_get_number_of_members(self)
15671 def set_precision(self, precision):
15672 r"""set_precision(ClusterProvenance self, double precision)"""
15673 return _IMP_core.ClusterProvenance_set_precision(self, precision)
15675 def get_precision(self):
15676 r"""get_precision(ClusterProvenance self) -> double"""
15677 return _IMP_core.ClusterProvenance_get_precision(self)
15679 def set_density(self, density):
15680 r"""set_density(ClusterProvenance self, std::string density)"""
15681 return _IMP_core.ClusterProvenance_set_density(self, density)
15683 def get_density(self):
15684 r"""get_density(ClusterProvenance self) -> std::string"""
15685 return _IMP_core.ClusterProvenance_get_density(self)
15687 def __init__(self, *args):
15689 __init__(ClusterProvenance self) -> ClusterProvenance
15690 __init__(ClusterProvenance self, Model m, ParticleIndex id) -> ClusterProvenance
15691 __init__(ClusterProvenance self, _ParticleAdaptor d) -> ClusterProvenance
15693 _IMP_core.ClusterProvenance_swiginit(self, _IMP_core.new_ClusterProvenance(*args))
15696 def get_is_setup(*args):
15698 get_is_setup(Model m, ParticleIndex pi) -> bool
15699 get_is_setup(_ParticleAdaptor p) -> bool
15701 return _IMP_core.ClusterProvenance_get_is_setup(*args)
15703 def show(self, *args):
15704 r"""show(ClusterProvenance self, _ostream out=std::cout)"""
15705 return _IMP_core.ClusterProvenance_show(self, *args)
15708 def setup_particle(*args):
15710 setup_particle(Model m, ParticleIndex pi, int members) -> ClusterProvenance
15711 setup_particle(_ParticleAdaptor pa, int members) -> ClusterProvenance
15712 setup_particle(Model m, ParticleIndex pi, int members, double precision) -> ClusterProvenance
15713 setup_particle(_ParticleAdaptor pa, int members, double precision) -> ClusterProvenance
15714 setup_particle(Model m, ParticleIndex pi, int members, double precision, std::string density) -> ClusterProvenance
15715 setup_particle(_ParticleAdaptor pa, int members, double precision, std::string density) -> ClusterProvenance
15716 setup_particle(Model m, ParticleIndex pi, ClusterProvenance o) -> ClusterProvenance
15717 setup_particle(_ParticleAdaptor pa, ClusterProvenance o) -> ClusterProvenance
15719 return _IMP_core.ClusterProvenance_setup_particle(*args)
15721 def add_attribute(self, *args):
15723 add_attribute(ClusterProvenance self, FloatKey k, IMP::Float v, bool opt)
15724 add_attribute(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15725 add_attribute(ClusterProvenance self, IntKey a0, IMP::Int a1)
15726 add_attribute(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15727 add_attribute(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15728 add_attribute(ClusterProvenance self, StringKey a0, IMP::String a1)
15729 add_attribute(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15730 add_attribute(ClusterProvenance self, ObjectKey a0, Object a1)
15731 add_attribute(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15732 add_attribute(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15733 add_attribute(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15734 add_attribute(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15736 return _IMP_core.ClusterProvenance_add_attribute(self, *args)
15738 def get_value(self, *args):
15740 get_value(ClusterProvenance self, FloatKey a0) -> IMP::Float
15741 get_value(ClusterProvenance self, IntKey a0) -> IMP::Int
15742 get_value(ClusterProvenance self, FloatsKey a0) -> IMP::Floats
15743 get_value(ClusterProvenance self, IntsKey a0) -> IMP::Ints
15744 get_value(ClusterProvenance self, StringKey a0) -> IMP::String
15745 get_value(ClusterProvenance self, ParticleIndexKey a0) -> Particle
15746 get_value(ClusterProvenance self, ObjectKey a0) -> Object
15747 get_value(ClusterProvenance self, SparseFloatKey a0) -> IMP::Float
15748 get_value(ClusterProvenance self, SparseIntKey a0) -> IMP::Int
15749 get_value(ClusterProvenance self, SparseStringKey a0) -> IMP::String
15750 get_value(ClusterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15752 return _IMP_core.ClusterProvenance_get_value(self, *args)
15754 def set_value(self, *args):
15756 set_value(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15757 set_value(ClusterProvenance self, IntKey a0, IMP::Int a1)
15758 set_value(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15759 set_value(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15760 set_value(ClusterProvenance self, StringKey a0, IMP::String a1)
15761 set_value(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15762 set_value(ClusterProvenance self, ObjectKey a0, Object a1)
15763 set_value(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15764 set_value(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15765 set_value(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15766 set_value(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15768 return _IMP_core.ClusterProvenance_set_value(self, *args)
15770 def remove_attribute(self, *args):
15772 remove_attribute(ClusterProvenance self, FloatKey a0)
15773 remove_attribute(ClusterProvenance self, IntKey a0)
15774 remove_attribute(ClusterProvenance self, FloatsKey a0)
15775 remove_attribute(ClusterProvenance self, IntsKey a0)
15776 remove_attribute(ClusterProvenance self, StringKey a0)
15777 remove_attribute(ClusterProvenance self, ParticleIndexKey a0)
15778 remove_attribute(ClusterProvenance self, ObjectKey a0)
15779 remove_attribute(ClusterProvenance self, SparseFloatKey a0)
15780 remove_attribute(ClusterProvenance self, SparseIntKey a0)
15781 remove_attribute(ClusterProvenance self, SparseStringKey a0)
15782 remove_attribute(ClusterProvenance self, SparseParticleIndexKey a0)
15784 return _IMP_core.ClusterProvenance_remove_attribute(self, *args)
15786 def has_attribute(self, *args):
15788 has_attribute(ClusterProvenance self, FloatKey a0) -> bool
15789 has_attribute(ClusterProvenance self, IntKey a0) -> bool
15790 has_attribute(ClusterProvenance self, FloatsKey a0) -> bool
15791 has_attribute(ClusterProvenance self, IntsKey a0) -> bool
15792 has_attribute(ClusterProvenance self, StringKey a0) -> bool
15793 has_attribute(ClusterProvenance self, ParticleIndexKey a0) -> bool
15794 has_attribute(ClusterProvenance self, ObjectKey a0) -> bool
15795 has_attribute(ClusterProvenance self, SparseFloatKey a0) -> bool
15796 has_attribute(ClusterProvenance self, SparseIntKey a0) -> bool
15797 has_attribute(ClusterProvenance self, SparseStringKey a0) -> bool
15798 has_attribute(ClusterProvenance self, SparseParticleIndexKey a0) -> bool
15800 return _IMP_core.ClusterProvenance_has_attribute(self, *args)
15802 def get_derivative(self, a0):
15803 r"""get_derivative(ClusterProvenance self, FloatKey a0) -> double"""
15804 return _IMP_core.ClusterProvenance_get_derivative(self, a0)
15806 def get_name(self):
15807 r"""get_name(ClusterProvenance self) -> std::string"""
15808 return _IMP_core.ClusterProvenance_get_name(self)
15810 def clear_caches(self):
15811 r"""clear_caches(ClusterProvenance self)"""
15812 return _IMP_core.ClusterProvenance_clear_caches(self)
15814 def set_name(self, a0):
15815 r"""set_name(ClusterProvenance self, std::string a0)"""
15816 return _IMP_core.ClusterProvenance_set_name(self, a0)
15819 r"""set_check_level(ClusterProvenance self, IMP::CheckLevel a0)"""
15820 return _IMP_core.ClusterProvenance_set_check_level(self, a0)
15822 def add_to_derivative(self, a0, a1, a2):
15823 r"""add_to_derivative(ClusterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15824 return _IMP_core.ClusterProvenance_add_to_derivative(self, a0, a1, a2)
15826 def set_is_optimized(self, a0, a1):
15827 r"""set_is_optimized(ClusterProvenance self, FloatKey a0, bool a1)"""
15828 return _IMP_core.ClusterProvenance_set_is_optimized(self, a0, a1)
15830 def get_is_optimized(self, a0):
15831 r"""get_is_optimized(ClusterProvenance self, FloatKey a0) -> bool"""
15832 return _IMP_core.ClusterProvenance_get_is_optimized(self, a0)
15835 r"""get_check_level(ClusterProvenance self) -> IMP::CheckLevel"""
15836 return _IMP_core.ClusterProvenance_get_check_level(self)
15838 def __eq__(self, *args):
15840 __eq__(ClusterProvenance self, ClusterProvenance o) -> bool
15841 __eq__(ClusterProvenance self, Particle d) -> bool
15843 return _IMP_core.ClusterProvenance___eq__(self, *args)
15845 def __ne__(self, *args):
15847 __ne__(ClusterProvenance self, ClusterProvenance o) -> bool
15848 __ne__(ClusterProvenance self, Particle d) -> bool
15850 return _IMP_core.ClusterProvenance___ne__(self, *args)
15852 def __le__(self, *args):
15854 __le__(ClusterProvenance self, ClusterProvenance o) -> bool
15855 __le__(ClusterProvenance self, Particle d) -> bool
15857 return _IMP_core.ClusterProvenance___le__(self, *args)
15859 def __lt__(self, *args):
15861 __lt__(ClusterProvenance self, ClusterProvenance o) -> bool
15862 __lt__(ClusterProvenance self, Particle d) -> bool
15864 return _IMP_core.ClusterProvenance___lt__(self, *args)
15866 def __ge__(self, *args):
15868 __ge__(ClusterProvenance self, ClusterProvenance o) -> bool
15869 __ge__(ClusterProvenance self, Particle d) -> bool
15871 return _IMP_core.ClusterProvenance___ge__(self, *args)
15873 def __gt__(self, *args):
15875 __gt__(ClusterProvenance self, ClusterProvenance o) -> bool
15876 __gt__(ClusterProvenance self, Particle d) -> bool
15878 return _IMP_core.ClusterProvenance___gt__(self, *args)
15880 def __hash__(self):
15881 r"""__hash__(ClusterProvenance self) -> std::size_t"""
15882 return _IMP_core.ClusterProvenance___hash__(self)
15885 r"""__str__(ClusterProvenance self) -> std::string"""
15886 return _IMP_core.ClusterProvenance___str__(self)
15888 def __repr__(self):
15889 r"""__repr__(ClusterProvenance self) -> std::string"""
15890 return _IMP_core.ClusterProvenance___repr__(self)
15892 def _get_as_binary(self):
15893 r"""_get_as_binary(ClusterProvenance self) -> PyObject *"""
15894 return _IMP_core.ClusterProvenance__get_as_binary(self)
15896 def _set_from_binary(self, p):
15897 r"""_set_from_binary(ClusterProvenance self, PyObject * p)"""
15898 return _IMP_core.ClusterProvenance__set_from_binary(self, p)
15900 def __getstate__(self):
15901 p = self._get_as_binary()
15902 if len(self.__dict__) > 1:
15903 d = self.__dict__.copy()
15908 def __setstate__(self, p):
15909 if not hasattr(self,
'this'):
15911 if isinstance(p, tuple):
15913 self.__dict__.update(d)
15914 return self._set_from_binary(p)
15916 __swig_destroy__ = _IMP_core.delete_ClusterProvenance
15919 _IMP_core.ClusterProvenance_swigregister(ClusterProvenance)
15920 class ScriptProvenance(Provenance):
15921 r"""Proxy of C++ IMP::core::ScriptProvenance class."""
15923 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15925 def set_filename(self, filename):
15926 r"""set_filename(ScriptProvenance self, std::string filename)"""
15927 return _IMP_core.ScriptProvenance_set_filename(self, filename)
15929 def get_filename(self):
15930 r"""get_filename(ScriptProvenance self) -> std::string"""
15931 return _IMP_core.ScriptProvenance_get_filename(self)
15933 def __init__(self, *args):
15935 __init__(ScriptProvenance self) -> ScriptProvenance
15936 __init__(ScriptProvenance self, Model m, ParticleIndex id) -> ScriptProvenance
15937 __init__(ScriptProvenance self, _ParticleAdaptor d) -> ScriptProvenance
15939 _IMP_core.ScriptProvenance_swiginit(self, _IMP_core.new_ScriptProvenance(*args))
15942 def get_is_setup(*args):
15944 get_is_setup(Model m, ParticleIndex pi) -> bool
15945 get_is_setup(_ParticleAdaptor p) -> bool
15947 return _IMP_core.ScriptProvenance_get_is_setup(*args)
15949 def show(self, *args):
15950 r"""show(ScriptProvenance self, _ostream out=std::cout)"""
15951 return _IMP_core.ScriptProvenance_show(self, *args)
15954 def setup_particle(*args):
15956 setup_particle(Model m, ParticleIndex pi, std::string filename) -> ScriptProvenance
15957 setup_particle(_ParticleAdaptor pa, std::string filename) -> ScriptProvenance
15958 setup_particle(Model m, ParticleIndex pi, ScriptProvenance o) -> ScriptProvenance
15959 setup_particle(_ParticleAdaptor pa, ScriptProvenance o) -> ScriptProvenance
15961 return _IMP_core.ScriptProvenance_setup_particle(*args)
15963 def add_attribute(self, *args):
15965 add_attribute(ScriptProvenance self, FloatKey k, IMP::Float v, bool opt)
15966 add_attribute(ScriptProvenance self, FloatKey a0, IMP::Float a1)
15967 add_attribute(ScriptProvenance self, IntKey a0, IMP::Int a1)
15968 add_attribute(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
15969 add_attribute(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
15970 add_attribute(ScriptProvenance self, StringKey a0, IMP::String a1)
15971 add_attribute(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
15972 add_attribute(ScriptProvenance self, ObjectKey a0, Object a1)
15973 add_attribute(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
15974 add_attribute(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
15975 add_attribute(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
15976 add_attribute(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15978 return _IMP_core.ScriptProvenance_add_attribute(self, *args)
15980 def get_value(self, *args):
15982 get_value(ScriptProvenance self, FloatKey a0) -> IMP::Float
15983 get_value(ScriptProvenance self, IntKey a0) -> IMP::Int
15984 get_value(ScriptProvenance self, FloatsKey a0) -> IMP::Floats
15985 get_value(ScriptProvenance self, IntsKey a0) -> IMP::Ints
15986 get_value(ScriptProvenance self, StringKey a0) -> IMP::String
15987 get_value(ScriptProvenance self, ParticleIndexKey a0) -> Particle
15988 get_value(ScriptProvenance self, ObjectKey a0) -> Object
15989 get_value(ScriptProvenance self, SparseFloatKey a0) -> IMP::Float
15990 get_value(ScriptProvenance self, SparseIntKey a0) -> IMP::Int
15991 get_value(ScriptProvenance self, SparseStringKey a0) -> IMP::String
15992 get_value(ScriptProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15994 return _IMP_core.ScriptProvenance_get_value(self, *args)
15996 def set_value(self, *args):
15998 set_value(ScriptProvenance self, FloatKey a0, IMP::Float a1)
15999 set_value(ScriptProvenance self, IntKey a0, IMP::Int a1)
16000 set_value(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
16001 set_value(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
16002 set_value(ScriptProvenance self, StringKey a0, IMP::String a1)
16003 set_value(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
16004 set_value(ScriptProvenance self, ObjectKey a0, Object a1)
16005 set_value(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
16006 set_value(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
16007 set_value(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
16008 set_value(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16010 return _IMP_core.ScriptProvenance_set_value(self, *args)
16012 def remove_attribute(self, *args):
16014 remove_attribute(ScriptProvenance self, FloatKey a0)
16015 remove_attribute(ScriptProvenance self, IntKey a0)
16016 remove_attribute(ScriptProvenance self, FloatsKey a0)
16017 remove_attribute(ScriptProvenance self, IntsKey a0)
16018 remove_attribute(ScriptProvenance self, StringKey a0)
16019 remove_attribute(ScriptProvenance self, ParticleIndexKey a0)
16020 remove_attribute(ScriptProvenance self, ObjectKey a0)
16021 remove_attribute(ScriptProvenance self, SparseFloatKey a0)
16022 remove_attribute(ScriptProvenance self, SparseIntKey a0)
16023 remove_attribute(ScriptProvenance self, SparseStringKey a0)
16024 remove_attribute(ScriptProvenance self, SparseParticleIndexKey a0)
16026 return _IMP_core.ScriptProvenance_remove_attribute(self, *args)
16028 def has_attribute(self, *args):
16030 has_attribute(ScriptProvenance self, FloatKey a0) -> bool
16031 has_attribute(ScriptProvenance self, IntKey a0) -> bool
16032 has_attribute(ScriptProvenance self, FloatsKey a0) -> bool
16033 has_attribute(ScriptProvenance self, IntsKey a0) -> bool
16034 has_attribute(ScriptProvenance self, StringKey a0) -> bool
16035 has_attribute(ScriptProvenance self, ParticleIndexKey a0) -> bool
16036 has_attribute(ScriptProvenance self, ObjectKey a0) -> bool
16037 has_attribute(ScriptProvenance self, SparseFloatKey a0) -> bool
16038 has_attribute(ScriptProvenance self, SparseIntKey a0) -> bool
16039 has_attribute(ScriptProvenance self, SparseStringKey a0) -> bool
16040 has_attribute(ScriptProvenance self, SparseParticleIndexKey a0) -> bool
16042 return _IMP_core.ScriptProvenance_has_attribute(self, *args)
16044 def get_derivative(self, a0):
16045 r"""get_derivative(ScriptProvenance self, FloatKey a0) -> double"""
16046 return _IMP_core.ScriptProvenance_get_derivative(self, a0)
16048 def get_name(self):
16049 r"""get_name(ScriptProvenance self) -> std::string"""
16050 return _IMP_core.ScriptProvenance_get_name(self)
16052 def clear_caches(self):
16053 r"""clear_caches(ScriptProvenance self)"""
16054 return _IMP_core.ScriptProvenance_clear_caches(self)
16056 def set_name(self, a0):
16057 r"""set_name(ScriptProvenance self, std::string a0)"""
16058 return _IMP_core.ScriptProvenance_set_name(self, a0)
16061 r"""set_check_level(ScriptProvenance self, IMP::CheckLevel a0)"""
16062 return _IMP_core.ScriptProvenance_set_check_level(self, a0)
16064 def add_to_derivative(self, a0, a1, a2):
16065 r"""add_to_derivative(ScriptProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16066 return _IMP_core.ScriptProvenance_add_to_derivative(self, a0, a1, a2)
16068 def set_is_optimized(self, a0, a1):
16069 r"""set_is_optimized(ScriptProvenance self, FloatKey a0, bool a1)"""
16070 return _IMP_core.ScriptProvenance_set_is_optimized(self, a0, a1)
16072 def get_is_optimized(self, a0):
16073 r"""get_is_optimized(ScriptProvenance self, FloatKey a0) -> bool"""
16074 return _IMP_core.ScriptProvenance_get_is_optimized(self, a0)
16077 r"""get_check_level(ScriptProvenance self) -> IMP::CheckLevel"""
16078 return _IMP_core.ScriptProvenance_get_check_level(self)
16080 def __eq__(self, *args):
16082 __eq__(ScriptProvenance self, ScriptProvenance o) -> bool
16083 __eq__(ScriptProvenance self, Particle d) -> bool
16085 return _IMP_core.ScriptProvenance___eq__(self, *args)
16087 def __ne__(self, *args):
16089 __ne__(ScriptProvenance self, ScriptProvenance o) -> bool
16090 __ne__(ScriptProvenance self, Particle d) -> bool
16092 return _IMP_core.ScriptProvenance___ne__(self, *args)
16094 def __le__(self, *args):
16096 __le__(ScriptProvenance self, ScriptProvenance o) -> bool
16097 __le__(ScriptProvenance self, Particle d) -> bool
16099 return _IMP_core.ScriptProvenance___le__(self, *args)
16101 def __lt__(self, *args):
16103 __lt__(ScriptProvenance self, ScriptProvenance o) -> bool
16104 __lt__(ScriptProvenance self, Particle d) -> bool
16106 return _IMP_core.ScriptProvenance___lt__(self, *args)
16108 def __ge__(self, *args):
16110 __ge__(ScriptProvenance self, ScriptProvenance o) -> bool
16111 __ge__(ScriptProvenance self, Particle d) -> bool
16113 return _IMP_core.ScriptProvenance___ge__(self, *args)
16115 def __gt__(self, *args):
16117 __gt__(ScriptProvenance self, ScriptProvenance o) -> bool
16118 __gt__(ScriptProvenance self, Particle d) -> bool
16120 return _IMP_core.ScriptProvenance___gt__(self, *args)
16122 def __hash__(self):
16123 r"""__hash__(ScriptProvenance self) -> std::size_t"""
16124 return _IMP_core.ScriptProvenance___hash__(self)
16127 r"""__str__(ScriptProvenance self) -> std::string"""
16128 return _IMP_core.ScriptProvenance___str__(self)
16130 def __repr__(self):
16131 r"""__repr__(ScriptProvenance self) -> std::string"""
16132 return _IMP_core.ScriptProvenance___repr__(self)
16134 def _get_as_binary(self):
16135 r"""_get_as_binary(ScriptProvenance self) -> PyObject *"""
16136 return _IMP_core.ScriptProvenance__get_as_binary(self)
16138 def _set_from_binary(self, p):
16139 r"""_set_from_binary(ScriptProvenance self, PyObject * p)"""
16140 return _IMP_core.ScriptProvenance__set_from_binary(self, p)
16142 def __getstate__(self):
16143 p = self._get_as_binary()
16144 if len(self.__dict__) > 1:
16145 d = self.__dict__.copy()
16150 def __setstate__(self, p):
16151 if not hasattr(self,
'this'):
16153 if isinstance(p, tuple):
16155 self.__dict__.update(d)
16156 return self._set_from_binary(p)
16158 __swig_destroy__ = _IMP_core.delete_ScriptProvenance
16161 _IMP_core.ScriptProvenance_swigregister(ScriptProvenance)
16162 class SoftwareProvenance(Provenance):
16163 r"""Proxy of C++ IMP::core::SoftwareProvenance class."""
16165 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16167 def set_software_name(self, name):
16168 r"""set_software_name(SoftwareProvenance self, std::string name)"""
16169 return _IMP_core.SoftwareProvenance_set_software_name(self, name)
16171 def get_software_name(self):
16172 r"""get_software_name(SoftwareProvenance self) -> std::string"""
16173 return _IMP_core.SoftwareProvenance_get_software_name(self)
16175 def set_version(self, version):
16176 r"""set_version(SoftwareProvenance self, std::string version)"""
16177 return _IMP_core.SoftwareProvenance_set_version(self, version)
16179 def get_version(self):
16180 r"""get_version(SoftwareProvenance self) -> std::string"""
16181 return _IMP_core.SoftwareProvenance_get_version(self)
16183 def set_location(self, location):
16184 r"""set_location(SoftwareProvenance self, std::string location)"""
16185 return _IMP_core.SoftwareProvenance_set_location(self, location)
16187 def get_location(self):
16188 r"""get_location(SoftwareProvenance self) -> std::string"""
16189 return _IMP_core.SoftwareProvenance_get_location(self)
16191 def __init__(self, *args):
16193 __init__(SoftwareProvenance self) -> SoftwareProvenance
16194 __init__(SoftwareProvenance self, Model m, ParticleIndex id) -> SoftwareProvenance
16195 __init__(SoftwareProvenance self, _ParticleAdaptor d) -> SoftwareProvenance
16197 _IMP_core.SoftwareProvenance_swiginit(self, _IMP_core.new_SoftwareProvenance(*args))
16200 def get_is_setup(*args):
16202 get_is_setup(Model m, ParticleIndex pi) -> bool
16203 get_is_setup(_ParticleAdaptor p) -> bool
16205 return _IMP_core.SoftwareProvenance_get_is_setup(*args)
16207 def show(self, *args):
16208 r"""show(SoftwareProvenance self, _ostream out=std::cout)"""
16209 return _IMP_core.SoftwareProvenance_show(self, *args)
16212 def setup_particle(*args):
16214 setup_particle(Model m, ParticleIndex pi, std::string name, std::string version, std::string location) -> SoftwareProvenance
16215 setup_particle(_ParticleAdaptor pa, std::string name, std::string version, std::string location) -> SoftwareProvenance
16216 setup_particle(Model m, ParticleIndex pi, SoftwareProvenance o) -> SoftwareProvenance
16217 setup_particle(_ParticleAdaptor pa, SoftwareProvenance o) -> SoftwareProvenance
16219 return _IMP_core.SoftwareProvenance_setup_particle(*args)
16221 def add_attribute(self, *args):
16223 add_attribute(SoftwareProvenance self, FloatKey k, IMP::Float v, bool opt)
16224 add_attribute(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
16225 add_attribute(SoftwareProvenance self, IntKey a0, IMP::Int a1)
16226 add_attribute(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
16227 add_attribute(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
16228 add_attribute(SoftwareProvenance self, StringKey a0, IMP::String a1)
16229 add_attribute(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
16230 add_attribute(SoftwareProvenance self, ObjectKey a0, Object a1)
16231 add_attribute(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
16232 add_attribute(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
16233 add_attribute(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
16234 add_attribute(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16236 return _IMP_core.SoftwareProvenance_add_attribute(self, *args)
16238 def get_value(self, *args):
16240 get_value(SoftwareProvenance self, FloatKey a0) -> IMP::Float
16241 get_value(SoftwareProvenance self, IntKey a0) -> IMP::Int
16242 get_value(SoftwareProvenance self, FloatsKey a0) -> IMP::Floats
16243 get_value(SoftwareProvenance self, IntsKey a0) -> IMP::Ints
16244 get_value(SoftwareProvenance self, StringKey a0) -> IMP::String
16245 get_value(SoftwareProvenance self, ParticleIndexKey a0) -> Particle
16246 get_value(SoftwareProvenance self, ObjectKey a0) -> Object
16247 get_value(SoftwareProvenance self, SparseFloatKey a0) -> IMP::Float
16248 get_value(SoftwareProvenance self, SparseIntKey a0) -> IMP::Int
16249 get_value(SoftwareProvenance self, SparseStringKey a0) -> IMP::String
16250 get_value(SoftwareProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
16252 return _IMP_core.SoftwareProvenance_get_value(self, *args)
16254 def set_value(self, *args):
16256 set_value(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
16257 set_value(SoftwareProvenance self, IntKey a0, IMP::Int a1)
16258 set_value(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
16259 set_value(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
16260 set_value(SoftwareProvenance self, StringKey a0, IMP::String a1)
16261 set_value(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
16262 set_value(SoftwareProvenance self, ObjectKey a0, Object a1)
16263 set_value(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
16264 set_value(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
16265 set_value(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
16266 set_value(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16268 return _IMP_core.SoftwareProvenance_set_value(self, *args)
16270 def remove_attribute(self, *args):
16272 remove_attribute(SoftwareProvenance self, FloatKey a0)
16273 remove_attribute(SoftwareProvenance self, IntKey a0)
16274 remove_attribute(SoftwareProvenance self, FloatsKey a0)
16275 remove_attribute(SoftwareProvenance self, IntsKey a0)
16276 remove_attribute(SoftwareProvenance self, StringKey a0)
16277 remove_attribute(SoftwareProvenance self, ParticleIndexKey a0)
16278 remove_attribute(SoftwareProvenance self, ObjectKey a0)
16279 remove_attribute(SoftwareProvenance self, SparseFloatKey a0)
16280 remove_attribute(SoftwareProvenance self, SparseIntKey a0)
16281 remove_attribute(SoftwareProvenance self, SparseStringKey a0)
16282 remove_attribute(SoftwareProvenance self, SparseParticleIndexKey a0)
16284 return _IMP_core.SoftwareProvenance_remove_attribute(self, *args)
16286 def has_attribute(self, *args):
16288 has_attribute(SoftwareProvenance self, FloatKey a0) -> bool
16289 has_attribute(SoftwareProvenance self, IntKey a0) -> bool
16290 has_attribute(SoftwareProvenance self, FloatsKey a0) -> bool
16291 has_attribute(SoftwareProvenance self, IntsKey a0) -> bool
16292 has_attribute(SoftwareProvenance self, StringKey a0) -> bool
16293 has_attribute(SoftwareProvenance self, ParticleIndexKey a0) -> bool
16294 has_attribute(SoftwareProvenance self, ObjectKey a0) -> bool
16295 has_attribute(SoftwareProvenance self, SparseFloatKey a0) -> bool
16296 has_attribute(SoftwareProvenance self, SparseIntKey a0) -> bool
16297 has_attribute(SoftwareProvenance self, SparseStringKey a0) -> bool
16298 has_attribute(SoftwareProvenance self, SparseParticleIndexKey a0) -> bool
16300 return _IMP_core.SoftwareProvenance_has_attribute(self, *args)
16302 def get_derivative(self, a0):
16303 r"""get_derivative(SoftwareProvenance self, FloatKey a0) -> double"""
16304 return _IMP_core.SoftwareProvenance_get_derivative(self, a0)
16306 def get_name(self):
16307 r"""get_name(SoftwareProvenance self) -> std::string"""
16308 return _IMP_core.SoftwareProvenance_get_name(self)
16310 def clear_caches(self):
16311 r"""clear_caches(SoftwareProvenance self)"""
16312 return _IMP_core.SoftwareProvenance_clear_caches(self)
16314 def set_name(self, a0):
16315 r"""set_name(SoftwareProvenance self, std::string a0)"""
16316 return _IMP_core.SoftwareProvenance_set_name(self, a0)
16319 r"""set_check_level(SoftwareProvenance self, IMP::CheckLevel a0)"""
16320 return _IMP_core.SoftwareProvenance_set_check_level(self, a0)
16322 def add_to_derivative(self, a0, a1, a2):
16323 r"""add_to_derivative(SoftwareProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16324 return _IMP_core.SoftwareProvenance_add_to_derivative(self, a0, a1, a2)
16326 def set_is_optimized(self, a0, a1):
16327 r"""set_is_optimized(SoftwareProvenance self, FloatKey a0, bool a1)"""
16328 return _IMP_core.SoftwareProvenance_set_is_optimized(self, a0, a1)
16330 def get_is_optimized(self, a0):
16331 r"""get_is_optimized(SoftwareProvenance self, FloatKey a0) -> bool"""
16332 return _IMP_core.SoftwareProvenance_get_is_optimized(self, a0)
16335 r"""get_check_level(SoftwareProvenance self) -> IMP::CheckLevel"""
16336 return _IMP_core.SoftwareProvenance_get_check_level(self)
16338 def __eq__(self, *args):
16340 __eq__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16341 __eq__(SoftwareProvenance self, Particle d) -> bool
16343 return _IMP_core.SoftwareProvenance___eq__(self, *args)
16345 def __ne__(self, *args):
16347 __ne__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16348 __ne__(SoftwareProvenance self, Particle d) -> bool
16350 return _IMP_core.SoftwareProvenance___ne__(self, *args)
16352 def __le__(self, *args):
16354 __le__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16355 __le__(SoftwareProvenance self, Particle d) -> bool
16357 return _IMP_core.SoftwareProvenance___le__(self, *args)
16359 def __lt__(self, *args):
16361 __lt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16362 __lt__(SoftwareProvenance self, Particle d) -> bool
16364 return _IMP_core.SoftwareProvenance___lt__(self, *args)
16366 def __ge__(self, *args):
16368 __ge__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16369 __ge__(SoftwareProvenance self, Particle d) -> bool
16371 return _IMP_core.SoftwareProvenance___ge__(self, *args)
16373 def __gt__(self, *args):
16375 __gt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16376 __gt__(SoftwareProvenance self, Particle d) -> bool
16378 return _IMP_core.SoftwareProvenance___gt__(self, *args)
16380 def __hash__(self):
16381 r"""__hash__(SoftwareProvenance self) -> std::size_t"""
16382 return _IMP_core.SoftwareProvenance___hash__(self)
16385 r"""__str__(SoftwareProvenance self) -> std::string"""
16386 return _IMP_core.SoftwareProvenance___str__(self)
16388 def __repr__(self):
16389 r"""__repr__(SoftwareProvenance self) -> std::string"""
16390 return _IMP_core.SoftwareProvenance___repr__(self)
16392 def _get_as_binary(self):
16393 r"""_get_as_binary(SoftwareProvenance self) -> PyObject *"""
16394 return _IMP_core.SoftwareProvenance__get_as_binary(self)
16396 def _set_from_binary(self, p):
16397 r"""_set_from_binary(SoftwareProvenance self, PyObject * p)"""
16398 return _IMP_core.SoftwareProvenance__set_from_binary(self, p)
16400 def __getstate__(self):
16401 p = self._get_as_binary()
16402 if len(self.__dict__) > 1:
16403 d = self.__dict__.copy()
16408 def __setstate__(self, p):
16409 if not hasattr(self,
'this'):
16411 if isinstance(p, tuple):
16413 self.__dict__.update(d)
16414 return self._set_from_binary(p)
16416 __swig_destroy__ = _IMP_core.delete_SoftwareProvenance
16419 _IMP_core.SoftwareProvenance_swigregister(SoftwareProvenance)
16421 r"""Proxy of C++ IMP::core::Provenanced class."""
16423 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16425 def get_provenance(self):
16426 r"""get_provenance(Provenanced self) -> Provenance"""
16427 return _IMP_core.Provenanced_get_provenance(self)
16429 def set_provenance(self, p):
16430 r"""set_provenance(Provenanced self, Provenance p)"""
16431 return _IMP_core.Provenanced_set_provenance(self, p)
16433 def __init__(self, *args):
16435 __init__(Provenanced self) -> Provenanced
16436 __init__(Provenanced self, Model m, ParticleIndex id) -> Provenanced
16437 __init__(Provenanced self, _ParticleAdaptor d) -> Provenanced
16439 _IMP_core.Provenanced_swiginit(self, _IMP_core.new_Provenanced(*args))
16442 def get_is_setup(*args):
16444 get_is_setup(Model m, ParticleIndex pi) -> bool
16445 get_is_setup(_ParticleAdaptor p) -> bool
16447 return _IMP_core.Provenanced_get_is_setup(*args)
16449 def show(self, *args):
16450 r"""show(Provenanced self, _ostream out=std::cout)"""
16451 return _IMP_core.Provenanced_show(self, *args)
16454 def setup_particle(*args):
16456 setup_particle(Model m, ParticleIndex pi, Provenance p) -> Provenanced
16457 setup_particle(_ParticleAdaptor pa, Provenance p) -> Provenanced
16459 return _IMP_core.Provenanced_setup_particle(*args)
16461 def add_attribute(self, *args):
16463 add_attribute(Provenanced self, FloatKey k, IMP::Float v, bool opt)
16464 add_attribute(Provenanced self, FloatKey a0, IMP::Float a1)
16465 add_attribute(Provenanced self, IntKey a0, IMP::Int a1)
16466 add_attribute(Provenanced self, FloatsKey a0, IMP::Floats a1)
16467 add_attribute(Provenanced self, IntsKey a0, IMP::Ints a1)
16468 add_attribute(Provenanced self, StringKey a0, IMP::String a1)
16469 add_attribute(Provenanced self, ParticleIndexKey a0, Particle a1)
16470 add_attribute(Provenanced self, ObjectKey a0, Object a1)
16471 add_attribute(Provenanced self, SparseFloatKey a0, IMP::Float a1)
16472 add_attribute(Provenanced self, SparseIntKey a0, IMP::Int a1)
16473 add_attribute(Provenanced self, SparseStringKey a0, IMP::String a1)
16474 add_attribute(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
16476 return _IMP_core.Provenanced_add_attribute(self, *args)
16478 def get_value(self, *args):
16480 get_value(Provenanced self, FloatKey a0) -> IMP::Float
16481 get_value(Provenanced self, IntKey a0) -> IMP::Int
16482 get_value(Provenanced self, FloatsKey a0) -> IMP::Floats
16483 get_value(Provenanced self, IntsKey a0) -> IMP::Ints
16484 get_value(Provenanced self, StringKey a0) -> IMP::String
16485 get_value(Provenanced self, ParticleIndexKey a0) -> Particle
16486 get_value(Provenanced self, ObjectKey a0) -> Object
16487 get_value(Provenanced self, SparseFloatKey a0) -> IMP::Float
16488 get_value(Provenanced self, SparseIntKey a0) -> IMP::Int
16489 get_value(Provenanced self, SparseStringKey a0) -> IMP::String
16490 get_value(Provenanced self, SparseParticleIndexKey a0) -> ParticleIndex
16492 return _IMP_core.Provenanced_get_value(self, *args)
16494 def set_value(self, *args):
16496 set_value(Provenanced self, FloatKey a0, IMP::Float a1)
16497 set_value(Provenanced self, IntKey a0, IMP::Int a1)
16498 set_value(Provenanced self, FloatsKey a0, IMP::Floats a1)
16499 set_value(Provenanced self, IntsKey a0, IMP::Ints a1)
16500 set_value(Provenanced self, StringKey a0, IMP::String a1)
16501 set_value(Provenanced self, ParticleIndexKey a0, Particle a1)
16502 set_value(Provenanced self, ObjectKey a0, Object a1)
16503 set_value(Provenanced self, SparseFloatKey a0, IMP::Float a1)
16504 set_value(Provenanced self, SparseIntKey a0, IMP::Int a1)
16505 set_value(Provenanced self, SparseStringKey a0, IMP::String a1)
16506 set_value(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
16508 return _IMP_core.Provenanced_set_value(self, *args)
16510 def remove_attribute(self, *args):
16512 remove_attribute(Provenanced self, FloatKey a0)
16513 remove_attribute(Provenanced self, IntKey a0)
16514 remove_attribute(Provenanced self, FloatsKey a0)
16515 remove_attribute(Provenanced self, IntsKey a0)
16516 remove_attribute(Provenanced self, StringKey a0)
16517 remove_attribute(Provenanced self, ParticleIndexKey a0)
16518 remove_attribute(Provenanced self, ObjectKey a0)
16519 remove_attribute(Provenanced self, SparseFloatKey a0)
16520 remove_attribute(Provenanced self, SparseIntKey a0)
16521 remove_attribute(Provenanced self, SparseStringKey a0)
16522 remove_attribute(Provenanced self, SparseParticleIndexKey a0)
16524 return _IMP_core.Provenanced_remove_attribute(self, *args)
16526 def has_attribute(self, *args):
16528 has_attribute(Provenanced self, FloatKey a0) -> bool
16529 has_attribute(Provenanced self, IntKey a0) -> bool
16530 has_attribute(Provenanced self, FloatsKey a0) -> bool
16531 has_attribute(Provenanced self, IntsKey a0) -> bool
16532 has_attribute(Provenanced self, StringKey a0) -> bool
16533 has_attribute(Provenanced self, ParticleIndexKey a0) -> bool
16534 has_attribute(Provenanced self, ObjectKey a0) -> bool
16535 has_attribute(Provenanced self, SparseFloatKey a0) -> bool
16536 has_attribute(Provenanced self, SparseIntKey a0) -> bool
16537 has_attribute(Provenanced self, SparseStringKey a0) -> bool
16538 has_attribute(Provenanced self, SparseParticleIndexKey a0) -> bool
16540 return _IMP_core.Provenanced_has_attribute(self, *args)
16542 def get_derivative(self, a0):
16543 r"""get_derivative(Provenanced self, FloatKey a0) -> double"""
16544 return _IMP_core.Provenanced_get_derivative(self, a0)
16546 def get_name(self):
16547 r"""get_name(Provenanced self) -> std::string"""
16548 return _IMP_core.Provenanced_get_name(self)
16550 def clear_caches(self):
16551 r"""clear_caches(Provenanced self)"""
16552 return _IMP_core.Provenanced_clear_caches(self)
16554 def set_name(self, a0):
16555 r"""set_name(Provenanced self, std::string a0)"""
16556 return _IMP_core.Provenanced_set_name(self, a0)
16559 r"""set_check_level(Provenanced self, IMP::CheckLevel a0)"""
16560 return _IMP_core.Provenanced_set_check_level(self, a0)
16562 def add_to_derivative(self, a0, a1, a2):
16563 r"""add_to_derivative(Provenanced self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16564 return _IMP_core.Provenanced_add_to_derivative(self, a0, a1, a2)
16566 def set_is_optimized(self, a0, a1):
16567 r"""set_is_optimized(Provenanced self, FloatKey a0, bool a1)"""
16568 return _IMP_core.Provenanced_set_is_optimized(self, a0, a1)
16570 def get_is_optimized(self, a0):
16571 r"""get_is_optimized(Provenanced self, FloatKey a0) -> bool"""
16572 return _IMP_core.Provenanced_get_is_optimized(self, a0)
16575 r"""get_check_level(Provenanced self) -> IMP::CheckLevel"""
16576 return _IMP_core.Provenanced_get_check_level(self)
16578 def __eq__(self, *args):
16580 __eq__(Provenanced self, Provenanced o) -> bool
16581 __eq__(Provenanced self, Particle d) -> bool
16583 return _IMP_core.Provenanced___eq__(self, *args)
16585 def __ne__(self, *args):
16587 __ne__(Provenanced self, Provenanced o) -> bool
16588 __ne__(Provenanced self, Particle d) -> bool
16590 return _IMP_core.Provenanced___ne__(self, *args)
16592 def __le__(self, *args):
16594 __le__(Provenanced self, Provenanced o) -> bool
16595 __le__(Provenanced self, Particle d) -> bool
16597 return _IMP_core.Provenanced___le__(self, *args)
16599 def __lt__(self, *args):
16601 __lt__(Provenanced self, Provenanced o) -> bool
16602 __lt__(Provenanced self, Particle d) -> bool
16604 return _IMP_core.Provenanced___lt__(self, *args)
16606 def __ge__(self, *args):
16608 __ge__(Provenanced self, Provenanced o) -> bool
16609 __ge__(Provenanced self, Particle d) -> bool
16611 return _IMP_core.Provenanced___ge__(self, *args)
16613 def __gt__(self, *args):
16615 __gt__(Provenanced self, Provenanced o) -> bool
16616 __gt__(Provenanced self, Particle d) -> bool
16618 return _IMP_core.Provenanced___gt__(self, *args)
16620 def __hash__(self):
16621 r"""__hash__(Provenanced self) -> std::size_t"""
16622 return _IMP_core.Provenanced___hash__(self)
16625 r"""__str__(Provenanced self) -> std::string"""
16626 return _IMP_core.Provenanced___str__(self)
16628 def __repr__(self):
16629 r"""__repr__(Provenanced self) -> std::string"""
16630 return _IMP_core.Provenanced___repr__(self)
16632 def _get_as_binary(self):
16633 r"""_get_as_binary(Provenanced self) -> PyObject *"""
16634 return _IMP_core.Provenanced__get_as_binary(self)
16636 def _set_from_binary(self, p):
16637 r"""_set_from_binary(Provenanced self, PyObject * p)"""
16638 return _IMP_core.Provenanced__set_from_binary(self, p)
16640 def __getstate__(self):
16641 p = self._get_as_binary()
16642 if len(self.__dict__) > 1:
16643 d = self.__dict__.copy()
16648 def __setstate__(self, p):
16649 if not hasattr(self,
'this'):
16651 if isinstance(p, tuple):
16653 self.__dict__.update(d)
16654 return self._set_from_binary(p)
16656 __swig_destroy__ = _IMP_core.delete_Provenanced
16659 _IMP_core.Provenanced_swigregister(Provenanced)
16662 r"""add_provenance(Model m, ParticleIndex pi, Provenance p)"""
16663 return _IMP_core.add_provenance(m, pi, p)
16666 r"""create_clone(Provenance p) -> Provenance"""
16667 return _IMP_core.create_clone(p)
16671 get_transformation_aligning_first_to_second(IMP::ParticlesTemp const & a, IMP::ParticlesTemp const & b) -> Transformation3D
16672 get_transformation_aligning_first_to_second(IMP::ParticlesTemp const & a, IMP::Vector< IMP::VectorD< 3 >,std::allocator< IMP::VectorD< 3 > > > const & b) -> Transformation3D
16673 get_transformation_aligning_first_to_second(IMP::Vector< IMP::VectorD< 3 >,std::allocator< IMP::VectorD< 3 > > > const & a, IMP::ParticlesTemp const & b) -> Transformation3D
16675 return _IMP_core.get_transformation_aligning_first_to_second(*args)
16678 r"""create_restraint(PairScore ps, IMP::ParticlePair pp) -> Restraint"""
16679 return _IMP_core.create_restraint(ps, pp)
16681 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::LOWER > class."""
16683 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16685 def __init__(self, *args):
16687 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicLowerBound
16688 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicLowerBound
16690 _IMP_core.TruncatedHarmonicLowerBound_swiginit(self, _IMP_core.new_TruncatedHarmonicLowerBound(*args))
16692 def get_version_info(self):
16693 r"""get_version_info(TruncatedHarmonicLowerBound self) -> VersionInfo"""
16694 return _IMP_core.TruncatedHarmonicLowerBound_get_version_info(self)
16695 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicLowerBound
16698 r"""__str__(TruncatedHarmonicLowerBound self) -> std::string"""
16699 return _IMP_core.TruncatedHarmonicLowerBound___str__(self)
16701 def __repr__(self):
16702 r"""__repr__(TruncatedHarmonicLowerBound self) -> std::string"""
16703 return _IMP_core.TruncatedHarmonicLowerBound___repr__(self)
16707 return _object_cast_to_TruncatedHarmonic(o)
16711 _IMP_core.TruncatedHarmonicLowerBound_swigregister(TruncatedHarmonicLowerBound)
16713 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::UPPER > class."""
16715 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16717 def __init__(self, *args):
16719 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicUpperBound
16720 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicUpperBound
16722 _IMP_core.TruncatedHarmonicUpperBound_swiginit(self, _IMP_core.new_TruncatedHarmonicUpperBound(*args))
16724 def get_version_info(self):
16725 r"""get_version_info(TruncatedHarmonicUpperBound self) -> VersionInfo"""
16726 return _IMP_core.TruncatedHarmonicUpperBound_get_version_info(self)
16727 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicUpperBound
16730 r"""__str__(TruncatedHarmonicUpperBound self) -> std::string"""
16731 return _IMP_core.TruncatedHarmonicUpperBound___str__(self)
16733 def __repr__(self):
16734 r"""__repr__(TruncatedHarmonicUpperBound self) -> std::string"""
16735 return _IMP_core.TruncatedHarmonicUpperBound___repr__(self)
16739 return _object_cast_to_TruncatedHarmonic(o)
16743 _IMP_core.TruncatedHarmonicUpperBound_swigregister(TruncatedHarmonicUpperBound)
16745 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::BOTH > class."""
16747 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16749 def __init__(self, *args):
16751 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicBound
16752 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicBound
16754 _IMP_core.TruncatedHarmonicBound_swiginit(self, _IMP_core.new_TruncatedHarmonicBound(*args))
16756 def get_version_info(self):
16757 r"""get_version_info(TruncatedHarmonicBound self) -> VersionInfo"""
16758 return _IMP_core.TruncatedHarmonicBound_get_version_info(self)
16759 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicBound
16762 r"""__str__(TruncatedHarmonicBound self) -> std::string"""
16763 return _IMP_core.TruncatedHarmonicBound___str__(self)
16765 def __repr__(self):
16766 r"""__repr__(TruncatedHarmonicBound self) -> std::string"""
16767 return _IMP_core.TruncatedHarmonicBound___repr__(self)
16771 return _object_cast_to_TruncatedHarmonic(o)
16775 _IMP_core.TruncatedHarmonicBound_swigregister(TruncatedHarmonicBound)
16777 r"""Proxy of C++ IMP::Key< 34897493 > class."""
16779 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16781 def __init__(self, *args):
16783 __init__(ParticleType self) -> ParticleType
16784 __init__(ParticleType self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleType
16785 __init__(ParticleType self, unsigned int i) -> ParticleType
16787 _IMP_core.ParticleType_swiginit(self, _IMP_core.new_ParticleType(*args))
16791 r"""add_key(std::string sc) -> unsigned int"""
16792 return _IMP_core.ParticleType_add_key(sc)
16795 def get_key_exists(sc):
16796 r"""get_key_exists(std::string sc) -> bool"""
16797 return _IMP_core.ParticleType_get_key_exists(sc)
16799 def get_string(self):
16800 r"""get_string(ParticleType self) -> std::string const"""
16801 return _IMP_core.ParticleType_get_string(self)
16803 def __cmp__(self, o):
16804 r"""__cmp__(ParticleType self, ParticleType o) -> int"""
16805 return _IMP_core.ParticleType___cmp__(self, o)
16807 def __eq__(self, o):
16808 r"""__eq__(ParticleType self, ParticleType o) -> bool"""
16809 return _IMP_core.ParticleType___eq__(self, o)
16811 def __ne__(self, o):
16812 r"""__ne__(ParticleType self, ParticleType o) -> bool"""
16813 return _IMP_core.ParticleType___ne__(self, o)
16815 def __lt__(self, o):
16816 r"""__lt__(ParticleType self, ParticleType o) -> bool"""
16817 return _IMP_core.ParticleType___lt__(self, o)
16819 def __gt__(self, o):
16820 r"""__gt__(ParticleType self, ParticleType o) -> bool"""
16821 return _IMP_core.ParticleType___gt__(self, o)
16823 def __ge__(self, o):
16824 r"""__ge__(ParticleType self, ParticleType o) -> bool"""
16825 return _IMP_core.ParticleType___ge__(self, o)
16827 def __le__(self, o):
16828 r"""__le__(ParticleType self, ParticleType o) -> bool"""
16829 return _IMP_core.ParticleType___le__(self, o)
16831 def __hash__(self):
16832 r"""__hash__(ParticleType self) -> std::size_t"""
16833 return _IMP_core.ParticleType___hash__(self)
16835 def show(self, *args):
16836 r"""show(ParticleType self, _ostream out=std::cout)"""
16837 return _IMP_core.ParticleType_show(self, *args)
16840 def add_alias(old_key, new_name):
16841 r"""add_alias(ParticleType old_key, std::string new_name) -> ParticleType"""
16842 return _IMP_core.ParticleType_add_alias(old_key, new_name)
16845 def get_number_of_keys():
16846 r"""get_number_of_keys() -> unsigned int"""
16847 return _IMP_core.ParticleType_get_number_of_keys()
16850 r"""get_index(ParticleType self) -> unsigned int"""
16851 return _IMP_core.ParticleType_get_index(self)
16855 r"""show_all(_ostream out)"""
16856 return _IMP_core.ParticleType_show_all(out)
16859 def get_all_strings():
16860 r"""get_all_strings() -> IMP::Vector< std::string >"""
16861 return _IMP_core.ParticleType_get_all_strings()
16864 def get_number_unique():
16865 r"""get_number_unique() -> unsigned int"""
16866 return _IMP_core.ParticleType_get_number_unique()
16869 r"""__str__(ParticleType self) -> std::string"""
16870 return _IMP_core.ParticleType___str__(self)
16872 def __repr__(self):
16873 r"""__repr__(ParticleType self) -> std::string"""
16874 return _IMP_core.ParticleType___repr__(self)
16875 __swig_destroy__ = _IMP_core.delete_ParticleType
16878 _IMP_core.ParticleType_swigregister(ParticleType)
16880 r"""Proxy of C++ IMP::core::GenericAttributeSingletonScore< UnaryFunction > class."""
16882 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16883 __repr__ = _swig_repr
16885 def __init__(self, f, k):
16886 r"""__init__(AttributeSingletonScore self, UnaryFunction f, FloatKey k) -> AttributeSingletonScore"""
16887 _IMP_core.AttributeSingletonScore_swiginit(self, _IMP_core.new_AttributeSingletonScore(f, k))
16889 def do_get_inputs(self, m, pis):
16890 r"""do_get_inputs(AttributeSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16891 return _IMP_core.AttributeSingletonScore_do_get_inputs(self, m, pis)
16893 def get_unary_function(self):
16894 r"""get_unary_function(AttributeSingletonScore self) -> UnaryFunction"""
16895 return _IMP_core.AttributeSingletonScore_get_unary_function(self)
16898 r"""get_key(AttributeSingletonScore self) -> FloatKey"""
16899 return _IMP_core.AttributeSingletonScore_get_key(self)
16901 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16902 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"""
16903 return _IMP_core.AttributeSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16905 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16906 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"""
16907 return _IMP_core.AttributeSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16909 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16910 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"""
16911 return _IMP_core.AttributeSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16913 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16914 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"""
16915 return _IMP_core.AttributeSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16917 def get_version_info(self):
16918 r"""get_version_info(AttributeSingletonScore self) -> VersionInfo"""
16919 return _IMP_core.AttributeSingletonScore_get_version_info(self)
16920 __swig_destroy__ = _IMP_core.delete_AttributeSingletonScore
16924 return _object_cast_to_AttributeSingletonScore(o)
16927 def _get_jax(self, m, indexes):
16928 def score_float_key(jm, key, uf):
16929 return uf(jm[key][indexes])
16931 def score_xyz_key(jm, xyz_index, uf):
16932 return uf(jm[
'xyz'][indexes, xyz_index])
16934 uf = self.get_unary_function().get_derived_object()._get_jax()
16935 key = self.get_key()
16938 if key.get_index() >= 7:
16940 f = functools.partial(score_float_key, key=key.get_string(), uf=uf)
16941 elif key == XYZR.get_radius_key():
16943 f = functools.partial(score_float_key, key=
'r', uf=uf)
16944 elif key
in XYZ.get_xyz_keys():
16946 xyz_index = XYZ.get_xyz_keys().index(key)
16947 f = functools.partial(score_xyz_key, xyz_index=xyz_index, uf=uf)
16949 raise NotImplementedError(
"No support for key %s" % key)
16950 return self._wrap_jax(m, f, keys=need_keys)
16954 _IMP_core.AttributeSingletonScore_swigregister(AttributeSingletonScore)
16957 r"""create_generic_attribute_singleton_score(UnaryFunction uf, FloatKey k) -> AttributeSingletonScore"""
16958 return _IMP_core.create_generic_attribute_singleton_score(uf, k)
16960 r"""Proxy of C++ IMP::core::GenericBoundingBox3DSingletonScore< UnaryFunction > class."""
16962 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16963 __repr__ = _swig_repr
16965 def __init__(self, f, bb):
16966 r"""__init__(BoundingBox3DSingletonScore self, UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
16967 _IMP_core.BoundingBox3DSingletonScore_swiginit(self, _IMP_core.new_BoundingBox3DSingletonScore(f, bb))
16969 def get_unary_function(self):
16970 r"""get_unary_function(BoundingBox3DSingletonScore self) -> UnaryFunction"""
16971 return _IMP_core.BoundingBox3DSingletonScore_get_unary_function(self)
16974 r"""get_bounding_box(BoundingBox3DSingletonScore self) -> BoundingBox3D"""
16975 return _IMP_core.BoundingBox3DSingletonScore_get_bounding_box(self)
16977 def do_get_inputs(self, m, pis):
16978 r"""do_get_inputs(BoundingBox3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16979 return _IMP_core.BoundingBox3DSingletonScore_do_get_inputs(self, m, pis)
16981 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16982 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"""
16983 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16985 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16986 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"""
16987 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16989 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16990 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"""
16991 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16993 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16994 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"""
16995 return _IMP_core.BoundingBox3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16997 def get_version_info(self):
16998 r"""get_version_info(BoundingBox3DSingletonScore self) -> VersionInfo"""
16999 return _IMP_core.BoundingBox3DSingletonScore_get_version_info(self)
17000 __swig_destroy__ = _IMP_core.delete_BoundingBox3DSingletonScore
17004 return _object_cast_to_BoundingBox3DSingletonScore(o)
17007 def _get_jax(self, m, indexes):
17008 import jax.numpy
as jnp
17009 def score(jm, box_min, box_max, uf):
17010 xyzs = jm[
'xyz'][indexes]
17017 drs = jnp.linalg.norm(
17018 xyzs - jnp.clip(xyzs, box_min, box_max), axis=1)
17020 uf = self.get_unary_function().get_derived_object()
17021 bb = self.get_bounding_box()
17022 f = functools.partial(score, box_min=jnp.asarray(bb.get_corner(0)),
17023 box_max=jnp.asarray(bb.get_corner(1)),
17025 return self._wrap_jax(m, f)
17029 _IMP_core.BoundingBox3DSingletonScore_swigregister(BoundingBox3DSingletonScore)
17031 def create_bounding_box_3d_singleton_score(f, bb):
17032 r"""create_bounding_box_3d_singleton_score(UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
17033 return _IMP_core.create_bounding_box_3d_singleton_score(f, bb)
17035 r"""Proxy of C++ IMP::core::GenericBoundingSphere3DSingletonScore< UnaryFunction > class."""
17037 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
17038 __repr__ = _swig_repr
17040 def __init__(self, f, sphere):
17041 r"""__init__(BoundingSphere3DSingletonScore self, UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
17042 _IMP_core.BoundingSphere3DSingletonScore_swiginit(self, _IMP_core.new_BoundingSphere3DSingletonScore(f, sphere))
17044 def do_get_inputs(self, m, pis):
17045 r"""do_get_inputs(BoundingSphere3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
17046 return _IMP_core.BoundingSphere3DSingletonScore_do_get_inputs(self, m, pis)
17048 def get_unary_function(self):
17049 r"""get_unary_function(BoundingSphere3DSingletonScore self) -> UnaryFunction"""
17050 return _IMP_core.BoundingSphere3DSingletonScore_get_unary_function(self)
17052 def get_sphere(self):
17053 r"""get_sphere(BoundingSphere3DSingletonScore self) -> Sphere3D"""
17054 return _IMP_core.BoundingSphere3DSingletonScore_get_sphere(self)
17056 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
17057 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"""
17058 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
17060 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
17061 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"""
17062 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
17064 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
17065 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"""
17066 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
17068 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
17069 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"""
17070 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
17072 def get_version_info(self):
17073 r"""get_version_info(BoundingSphere3DSingletonScore self) -> VersionInfo"""
17074 return _IMP_core.BoundingSphere3DSingletonScore_get_version_info(self)
17075 __swig_destroy__ = _IMP_core.delete_BoundingSphere3DSingletonScore
17079 return _object_cast_to_BoundingSphere3DSingletonScore(o)
17082 def _get_jax(self, m, indexes):
17083 import jax.numpy
as jnp
17085 def score_with_radius(jm, inds, center, radius):
17086 xyzs = jm[
'xyz'][inds]
17087 radii = jm[
'r'][inds]
17088 drs = jnp.linalg.norm(xyzs - center) + radii - radius
17089 return jax.lax.select(drs < 0.000001, jnp.zeros_like(drs), uf(drs))
17090 def score_without_radius(jm, inds, center, radius):
17091 xyzs = jm[
'xyz'][inds]
17092 drs = jnp.linalg.norm(xyzs - center) - radius
17093 return jax.lax.select(drs < 0.000001, jnp.zeros_like(drs), uf(drs))
17094 without_radii_inds = []
17095 with_radii_inds = []
17096 for ind
in indexes:
17097 if XYZR.get_is_setup(m, ind):
17098 with_radii_inds.append(ind)
17100 without_radii_inds.append(ind)
17101 without_radii_inds = jnp.asarray(without_radii_inds)
17102 with_radii_inds = jnp.asarray(with_radii_inds)
17103 uf = self.get_unary_function().get_derived_object()._get_jax()
17104 sphere = self.get_sphere()
17105 radius = sphere.get_radius()
17106 center = jnp.asarray(sphere.get_center())
17109 if without_radii_inds.size > 0:
17110 s += score_without_radius(jm, without_radii_inds,
17112 if with_radii_inds.size > 0:
17113 s += score_with_radius(jm, with_radii_inds, center, radius)
17115 return self._wrap_jax(m, score)
17119 _IMP_core.BoundingSphere3DSingletonScore_swigregister(BoundingSphere3DSingletonScore)
17121 def create_bounding_sphere_3d_singleton_score(f, sphere):
17122 r"""create_bounding_sphere_3d_singleton_score(UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
17123 return _IMP_core.create_bounding_sphere_3d_singleton_score(f, sphere)
17125 r"""Proxy of C++ IMP::core::GenericDistanceToSingletonScore< UnaryFunction > class."""
17127 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
17128 __repr__ = _swig_repr
17130 def __init__(self, *args):
17132 __init__(DistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore
17133 __init__(DistanceToSingletonScore self) -> DistanceToSingletonScore
17135 _IMP_core.DistanceToSingletonScore_swiginit(self, _IMP_core.new_DistanceToSingletonScore(*args))
17137 def do_get_inputs(self, m, pis):
17138 r"""do_get_inputs(DistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
17139 return _IMP_core.DistanceToSingletonScore_do_get_inputs(self, m, pis)
17141 def get_unary_function(self):
17142 r"""get_unary_function(DistanceToSingletonScore self) -> UnaryFunction"""
17143 return _IMP_core.DistanceToSingletonScore_get_unary_function(self)
17145 def get_point(self):
17146 r"""get_point(DistanceToSingletonScore self) -> Vector3D"""
17147 return _IMP_core.DistanceToSingletonScore_get_point(self)
17149 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
17150 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"""
17151 return _IMP_core.DistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
17153 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
17154 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"""
17155 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
17157 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
17158 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"""
17159 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
17161 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
17162 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"""
17163 return _IMP_core.DistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
17165 def get_version_info(self):
17166 r"""get_version_info(DistanceToSingletonScore self) -> VersionInfo"""
17167 return _IMP_core.DistanceToSingletonScore_get_version_info(self)
17168 __swig_destroy__ = _IMP_core.delete_DistanceToSingletonScore
17172 return _object_cast_to_DistanceToSingletonScore(o)
17175 def _get_as_binary(self):
17176 r"""_get_as_binary(DistanceToSingletonScore self) -> PyObject *"""
17177 return _IMP_core.DistanceToSingletonScore__get_as_binary(self)
17179 def _set_from_binary(self, p):
17180 r"""_set_from_binary(DistanceToSingletonScore self, PyObject * p)"""
17181 return _IMP_core.DistanceToSingletonScore__set_from_binary(self, p)
17183 def __getstate__(self):
17184 p = self._get_as_binary()
17185 if len(self.__dict__) > 1:
17186 d = self.__dict__.copy()
17191 def __setstate__(self, p):
17192 if not hasattr(self,
'this'):
17194 if isinstance(p, tuple):
17196 self.__dict__.update(d)
17197 return self._set_from_binary(p)
17200 def _get_jax(self, m, indexes):
17201 import jax.numpy
as jnp
17202 def score(jm, point, uf):
17203 xyzs = jm[
'xyz'][indexes]
17204 drs = jnp.linalg.norm(xyzs - point, axis=1)
17206 uf = self.get_unary_function().get_derived_object()
17207 f = functools.partial(score, point=jnp.array(self.get_point()),
17209 return self._wrap_jax(m, f)
17213 _IMP_core.DistanceToSingletonScore_swigregister(DistanceToSingletonScore)
17215 def create_distance_to_singleton_score(f, pt):
17216 r"""create_distance_to_singleton_score(UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore"""
17217 return _IMP_core.create_distance_to_singleton_score(f, pt)
17219 class SphereDistancePairScore(_SphereDistancePairScore.__bases__[0]):
17220 def __init__(self, uf):
17221 if isinstance(uf, HarmonicUpperBound):
17222 p = HarmonicUpperBoundSphereDistancePairScore(
17223 uf.get_mean(), uf.get_k())
17224 elif isinstance(uf, HarmonicLowerBound):
17225 if uf.get_mean() == 0.0:
17226 p = SoftSpherePairScore(uf.get_k())
17228 p = _SphereDistancePairScore(uf)
17229 elif isinstance(uf, Harmonic):
17230 p = HarmonicSphereDistancePairScore(
17231 uf.get_mean(), uf.get_k())
17233 p = _SphereDistancePairScore(uf)
17234 self.__dict__[
'_proxied'] = p
17235 def __getattr__(self, key):
17236 return getattr(self._proxied, key)
17237 def __setattr__(self, key, val):
17238 return setattr(self._proxied, key, val)
17240 def __getstate__(self):
17241 return self.__dict__[
'_proxied']
17243 def __setstate__(self, p):
17244 self.__dict__[
'_proxied'] = p
17246 def _get_jax(self, *args, **kwargs):
17247 return self._proxied._get_jax(*args, **kwargs)
17252 p = HarmonicUpperBoundSphereDistancePairScore.get_from(o)
17255 p = HarmonicSphereDistancePairScore.get_from(o)
17258 p = SoftSpherePairScore.get_from(o)
17260 p = _SphereDistancePairScore.get_from(o)
17261 obj = object.__new__(SphereDistancePairScore)
17262 obj.__dict__[
'_proxied'] = p
17268 CombineProvenance, FilterProvenance,
17269 ClusterProvenance, ScriptProvenance,
17270 SoftwareProvenance]):
17271 """Yield all provenance decorators of the given types for the particle.
17272 By default, all provenance types are returned. Provenance is returned
17273 in order, most recent first. If the particle has no provenance
17274 information, an empty generator is returned."""
17275 if Provenanced.get_is_setup(p):
17279 if c.get_is_setup(prov):
17281 prov = prov.get_previous()
17284 """Tag the given particle with the current Python script.
17285 This is a noop if the particle is already so tagged."""
17286 main = sys.modules[
'__main__']
17288 if not hasattr(main,
'__file__'):
17292 if prov.get_filename() == f:
17296 provp.set_name(
'script')
17297 prov = ScriptProvenance.setup_particle(provp, f)
17301 """Tag the given particle with the software used to create it.
17302 This is a noop if the particle is already so tagged."""
17304 if prov.get_software_name() == name
and prov.get_version() == version \
17305 and prov.get_location() == location:
17309 provp.set_name(
'software')
17310 prov = SoftwareProvenance.setup_particle(provp, name, version, location)
17314 """Tag the given particle as being created by the current version of IMP."""
17317 location=
"https://integrativemodeling.org")
17320 def get_module_name():
17321 r"""get_module_name() -> std::string const"""
17322 return _IMP_core.get_module_name()
17325 r"""get_module_version() -> std::string const"""
17326 return _IMP_core.get_module_version()
17329 r"""get_example_path(std::string fname) -> std::string"""
17330 return _IMP_core.get_example_path(fname)
17333 r"""get_data_path(std::string fname) -> std::string"""
17334 return _IMP_core.get_data_path(fname)
17336 from .
import _version_check
F visit_breadth_first(HD d, F f)
Apply the visitor to each particle, breadth first.
A base class for geometry contained in particles.
A base class for modifiers of ParticlesTemp.
GenericDistanceToSingletonScore< UnaryFunction > DistanceToSingletonScore
Rotation3D get_rotation_about_normalized_axis(const Vector3D &axis_norm, double angle)
double get_kt(double T)
Return kT for a given temperature in units of [kcal/mol].
Abstract class for scoring object(s) of type ParticleIndexPair.
double get_height(const Surface &s, const XYZR &d)
Get height of sphere above surface.
algebra::Transformation3D get_transformation_aligning_first_to_second(XYZsOrVector3ds a, XYZsOrVector3ds b)
double get_mean(const cv::Mat &mat, const cvIntMat &mask)
CheckLevel get_check_level()
Get the current audit mode.
def add_script_provenance
Tag the given particle with the current Python script.
GenericBoundingSphere3DSingletonScore< UnaryFunction > BoundingSphere3DSingletonScore
Abstract predicate function.
Restraint * create_restraint(Score *s, const typename Score::Argument &t, std::string name=std::string())
ParticleIndex get_root_rigid_body(RigidMember m)
Return the index of the outer-most rigid body containing the member.
algebra::ReferenceFrame3D get_initial_reference_frame(Model *m, const ParticleIndexes &pis)
The base class for geometry.
F visit_depth_first(HD d, F &f)
Apply functor F to each particle, traversing the hierarchy depth first.
XYZRs create_xyzr_particles(Model *m, unsigned int num, Float radius, Float box_side=10)
Create a set of particles with random coordinates.
A base class for geometry contained in particles.
double get_angle(Direction a, Direction b)
Get angle between directions.
A base class for geometry from a set of particles.
double get_dihedral(XYZ a, XYZ b, XYZ c, XYZ d)
Compute the dihedral angle (in radians) between the four particles.
Make CGAL functionality available to IMP.
Provenance create_clone(Provenance p)
Clone provenance (including previous provenance)
ParticlesTemp create_rigid_bodies(Model *m, unsigned int n, bool no_members=false)
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.
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)
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.
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)
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.