17 from sys
import version_info
as _swig_python_version_info
21 import builtins
as __builtin__
27 strthis =
"proxy of " + self.this.__repr__()
28 except __builtin__.Exception:
30 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
33 def _swig_setattr_nondynamic_instance_variable(set):
34 def set_instance_attr(self, name, value):
36 set(self, name, value)
37 elif name ==
"thisown":
39 elif hasattr(self, name)
and isinstance(getattr(type(self), name), property):
40 set(self, name, value)
42 raise AttributeError(
"You cannot add instance attributes to %s" % self)
43 return set_instance_attr
46 def _swig_setattr_nondynamic_class_variable(set):
47 def set_class_attr(cls, name, value):
48 if hasattr(cls, name)
and not isinstance(getattr(cls, name), property):
51 raise AttributeError(
"You cannot add class attributes to %s" % cls)
55 def _swig_add_metaclass(metaclass):
56 """Class decorator for adding a metaclass to a SWIG wrapped class - a slimmed down version of six.add_metaclass"""
58 return metaclass(cls.__name__, cls.__bases__, cls.__dict__.copy())
62 class _SwigNonDynamicMeta(type):
63 """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
64 __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
69 class IMP_CORE_SwigPyIterator(object):
70 r"""Proxy of C++ swig::IMP_CORE_SwigPyIterator class."""
72 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
74 def __init__(self, *args, **kwargs):
75 raise AttributeError(
"No constructor defined - class is abstract")
77 __swig_destroy__ = _IMP_core.delete_IMP_CORE_SwigPyIterator
80 r"""value(IMP_CORE_SwigPyIterator self) -> PyObject *"""
81 return _IMP_core.IMP_CORE_SwigPyIterator_value(self)
84 r"""incr(IMP_CORE_SwigPyIterator self, size_t n=1) -> IMP_CORE_SwigPyIterator"""
85 return _IMP_core.IMP_CORE_SwigPyIterator_incr(self, n)
88 r"""decr(IMP_CORE_SwigPyIterator self, size_t n=1) -> IMP_CORE_SwigPyIterator"""
89 return _IMP_core.IMP_CORE_SwigPyIterator_decr(self, n)
91 def distance(self, x):
92 r"""distance(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> ptrdiff_t"""
93 return _IMP_core.IMP_CORE_SwigPyIterator_distance(self, x)
96 r"""equal(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> bool"""
97 return _IMP_core.IMP_CORE_SwigPyIterator_equal(self, x)
100 r"""copy(IMP_CORE_SwigPyIterator self) -> IMP_CORE_SwigPyIterator"""
101 return _IMP_core.IMP_CORE_SwigPyIterator_copy(self)
104 r"""next(IMP_CORE_SwigPyIterator self) -> PyObject *"""
105 return _IMP_core.IMP_CORE_SwigPyIterator_next(self)
108 r"""__next__(IMP_CORE_SwigPyIterator self) -> PyObject *"""
109 return _IMP_core.IMP_CORE_SwigPyIterator___next__(self)
112 r"""previous(IMP_CORE_SwigPyIterator self) -> PyObject *"""
113 return _IMP_core.IMP_CORE_SwigPyIterator_previous(self)
115 def advance(self, n):
116 r"""advance(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
117 return _IMP_core.IMP_CORE_SwigPyIterator_advance(self, n)
120 r"""__eq__(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> bool"""
121 return _IMP_core.IMP_CORE_SwigPyIterator___eq__(self, x)
124 r"""__ne__(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> bool"""
125 return _IMP_core.IMP_CORE_SwigPyIterator___ne__(self, x)
127 def __iadd__(self, n):
128 r"""__iadd__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
129 return _IMP_core.IMP_CORE_SwigPyIterator___iadd__(self, n)
131 def __isub__(self, n):
132 r"""__isub__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
133 return _IMP_core.IMP_CORE_SwigPyIterator___isub__(self, n)
135 def __add__(self, n):
136 r"""__add__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
137 return _IMP_core.IMP_CORE_SwigPyIterator___add__(self, n)
139 def __sub__(self, *args):
141 __sub__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator
142 __sub__(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> ptrdiff_t
144 return _IMP_core.IMP_CORE_SwigPyIterator___sub__(self, *args)
149 _IMP_core.IMP_CORE_SwigPyIterator_swigregister(IMP_CORE_SwigPyIterator)
156 IMP_DEBUG = _IMP_core.IMP_DEBUG
158 IMP_RELEASE = _IMP_core.IMP_RELEASE
160 IMP_SILENT = _IMP_core.IMP_SILENT
162 IMP_PROGRESS = _IMP_core.IMP_PROGRESS
164 IMP_TERSE = _IMP_core.IMP_TERSE
166 IMP_VERBOSE = _IMP_core.IMP_VERBOSE
168 IMP_MEMORY = _IMP_core.IMP_MEMORY
170 IMP_NONE = _IMP_core.IMP_NONE
172 IMP_USAGE = _IMP_core.IMP_USAGE
174 IMP_INTERNAL = _IMP_core.IMP_INTERNAL
176 IMP_KERNEL_HAS_LOG4CXX = _IMP_core.IMP_KERNEL_HAS_LOG4CXX
178 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_core.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
180 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_core.IMP_COMPILER_HAS_DEBUG_VECTOR
182 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_core.IMP_COMPILER_HAS_RANDOM_SHUFFLE
184 IMP_COMPILER_HAS_THREE_WAY = _IMP_core.IMP_COMPILER_HAS_THREE_WAY
186 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_core.IMP_KERNEL_HAS_BOOST_RANDOM
188 IMP_KERNEL_HAS_NUMPY = _IMP_core.IMP_KERNEL_HAS_NUMPY
190 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_core.IMP_KERNEL_HAS_BOOST_SYSTEM
192 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_core.IMP_KERNEL_HAS_GPERFTOOLS
194 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_core.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
196 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_core.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
198 IMPKERNEL_SHOW_WARNINGS = _IMP_core.IMPKERNEL_SHOW_WARNINGS
202 class _DirectorObjects:
203 """@internal Simple class to keep references to director objects
204 to prevent premature deletion."""
207 def register(self, obj):
208 """Take a reference to a director object; will only work for
209 refcounted C++ classes"""
210 if hasattr(obj,
'get_ref_count'):
211 self._objects.append(obj)
213 """Only drop our reference and allow cleanup by Python if no other
214 Python references exist (we hold 3 references: one in self._objects,
215 one in x, and one in the argument list for getrefcount) *and* no
216 other C++ references exist (the Python object always holds one)"""
217 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
218 or x.get_ref_count() > 1]
222 def get_object_count(self):
223 """Get number of director objects (useful for testing only)"""
224 return len(self._objects)
225 _director_objects = _DirectorObjects()
227 class _ostream(object):
228 r"""Proxy of C++ std::ostream class."""
230 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
232 def __init__(self, *args, **kwargs):
233 raise AttributeError(
"No constructor defined")
234 __repr__ = _swig_repr
236 def write(self, osa_buf):
237 r"""write(_ostream self, char const * osa_buf)"""
238 return _IMP_core._ostream_write(self, osa_buf)
241 _IMP_core._ostream_swigregister(_ostream)
242 IMP_C_OPEN_BINARY = _IMP_core.IMP_C_OPEN_BINARY
245 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_CGAL_HAS_BOOST_FILESYSTEM
247 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
249 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_core.IMP_CGAL_HAS_BOOST_RANDOM
251 IMP_CGAL_HAS_NUMPY = _IMP_core.IMP_CGAL_HAS_NUMPY
253 IMPCGAL_SHOW_WARNINGS = _IMP_core.IMPCGAL_SHOW_WARNINGS
256 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_core.IMP_ALGEBRA_HAS_IMP_CGAL
258 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
260 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
262 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_core.IMP_ALGEBRA_HAS_BOOST_RANDOM
264 IMP_ALGEBRA_HAS_CGAL = _IMP_core.IMP_ALGEBRA_HAS_CGAL
266 IMP_ALGEBRA_HAS_NUMPY = _IMP_core.IMP_ALGEBRA_HAS_NUMPY
268 IMP_ALGEBRA_HAS_ANN = _IMP_core.IMP_ALGEBRA_HAS_ANN
270 IMPALGEBRA_SHOW_WARNINGS = _IMP_core.IMPALGEBRA_SHOW_WARNINGS
273 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_core.IMP_DISPLAY_HAS_IMP_CGAL
275 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
277 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
279 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_core.IMP_DISPLAY_HAS_BOOST_RANDOM
281 IMP_DISPLAY_HAS_CGAL = _IMP_core.IMP_DISPLAY_HAS_CGAL
283 IMP_DISPLAY_HAS_NUMPY = _IMP_core.IMP_DISPLAY_HAS_NUMPY
285 IMPDISPLAY_SHOW_WARNINGS = _IMP_core.IMPDISPLAY_SHOW_WARNINGS
288 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_core.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
290 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
292 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
294 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_core.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
296 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_core.IMP_SCORE_FUNCTOR_HAS_CGAL
298 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_core.IMP_SCORE_FUNCTOR_HAS_HDF5
300 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_core.IMP_SCORE_FUNCTOR_HAS_NUMPY
302 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_core.IMPSCOREFUNCTOR_SHOW_WARNINGS
305 IMP_CORE_HAS_IMP_CGAL = _IMP_core.IMP_CORE_HAS_IMP_CGAL
307 IMP_CORE_HAS_IMP_KERNEL = _IMP_core.IMP_CORE_HAS_IMP_KERNEL
309 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_CORE_HAS_BOOST_FILESYSTEM
311 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
313 IMP_CORE_HAS_BOOST_RANDOM = _IMP_core.IMP_CORE_HAS_BOOST_RANDOM
315 IMP_CORE_HAS_CGAL = _IMP_core.IMP_CORE_HAS_CGAL
317 IMP_CORE_HAS_HDF5 = _IMP_core.IMP_CORE_HAS_HDF5
319 IMP_CORE_HAS_NUMPY = _IMP_core.IMP_CORE_HAS_NUMPY
321 IMPCORE_SHOW_WARNINGS = _IMP_core.IMPCORE_SHOW_WARNINGS
324 r"""Proxy of C++ IMP::score_functor::ScoreUnaryFunction< IMP::score_functor::OpenCubicSpline > class."""
326 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
327 __repr__ = _swig_repr
329 def __init__(self, *args):
330 r"""__init__(_OpenCubicSplineBase self, IMP::score_functor::OpenCubicSpline const & score, std::string name="UnaryFunction%1%") -> _OpenCubicSplineBase"""
331 _IMP_core._OpenCubicSplineBase_swiginit(self, _IMP_core.new__OpenCubicSplineBase(*args))
333 def get_version_info(self):
334 r"""get_version_info(_OpenCubicSplineBase self) -> VersionInfo"""
335 return _IMP_core._OpenCubicSplineBase_get_version_info(self)
336 __swig_destroy__ = _IMP_core.delete__OpenCubicSplineBase
339 _IMP_core._OpenCubicSplineBase_swigregister(_OpenCubicSplineBase)
341 _object_types.append(
"MonteCarloMover")
344 def _object_cast_to_MonteCarloMover(o):
345 r"""_object_cast_to_MonteCarloMover(Object o) -> MonteCarloMover"""
346 return _IMP_core._object_cast_to_MonteCarloMover(o)
348 MonteCarloMoverResults=list
349 _plural_types.append(
"MonteCarloMoverResults")
350 _value_types.append(
"MonteCarloMoverResult")
353 _object_types.append(
"AngleRestraint")
356 def _object_cast_to_AngleRestraint(o):
357 r"""_object_cast_to_AngleRestraint(Object o) -> AngleRestraint"""
358 return _IMP_core._object_cast_to_AngleRestraint(o)
360 _object_types.append(
"AngleTripletScore")
363 def _object_cast_to_AngleTripletScore(o):
364 r"""_object_cast_to_AngleTripletScore(Object o) -> AngleTripletScore"""
365 return _IMP_core._object_cast_to_AngleTripletScore(o)
367 _object_types.append(
"AttributeSingletonScore")
370 def _object_cast_to_AttributeSingletonScore(o):
371 r"""_object_cast_to_AttributeSingletonScore(Object o) -> AttributeSingletonScore"""
372 return _IMP_core._object_cast_to_AttributeSingletonScore(o)
374 _object_types.append(
"BallMover")
377 def _object_cast_to_BallMover(o):
378 r"""_object_cast_to_BallMover(Object o) -> BallMover"""
379 return _IMP_core._object_cast_to_BallMover(o)
381 _object_types.append(
"SerialMover")
384 def _object_cast_to_SerialMover(o):
385 r"""_object_cast_to_SerialMover(Object o) -> SerialMover"""
386 return _IMP_core._object_cast_to_SerialMover(o)
388 _object_types.append(
"SubsetMover")
391 def _object_cast_to_SubsetMover(o):
392 r"""_object_cast_to_SubsetMover(Object o) -> SubsetMover"""
393 return _IMP_core._object_cast_to_SubsetMover(o)
395 _object_types.append(
"DirectionMover")
398 def _object_cast_to_DirectionMover(o):
399 r"""_object_cast_to_DirectionMover(Object o) -> DirectionMover"""
400 return _IMP_core._object_cast_to_DirectionMover(o)
402 _object_types.append(
"SurfaceMover")
405 def _object_cast_to_SurfaceMover(o):
406 r"""_object_cast_to_SurfaceMover(Object o) -> SurfaceMover"""
407 return _IMP_core._object_cast_to_SurfaceMover(o)
409 _object_types.append(
"BoundingBox3DSingletonScore")
412 def _object_cast_to_BoundingBox3DSingletonScore(o):
413 r"""_object_cast_to_BoundingBox3DSingletonScore(Object o) -> BoundingBox3DSingletonScore"""
414 return _IMP_core._object_cast_to_BoundingBox3DSingletonScore(o)
416 _object_types.append(
"BoundingSphere3DSingletonScore")
419 def _object_cast_to_BoundingSphere3DSingletonScore(o):
420 r"""_object_cast_to_BoundingSphere3DSingletonScore(Object o) -> BoundingSphere3DSingletonScore"""
421 return _IMP_core._object_cast_to_BoundingSphere3DSingletonScore(o)
423 _object_types.append(
"BoxSweepClosePairsFinder")
426 def _object_cast_to_BoxSweepClosePairsFinder(o):
427 r"""_object_cast_to_BoxSweepClosePairsFinder(Object o) -> BoxSweepClosePairsFinder"""
428 return _IMP_core._object_cast_to_BoxSweepClosePairsFinder(o)
430 _object_types.append(
"NearestNeighborsClosePairsFinder")
433 def _object_cast_to_NearestNeighborsClosePairsFinder(o):
434 r"""_object_cast_to_NearestNeighborsClosePairsFinder(Object o) -> NearestNeighborsClosePairsFinder"""
435 return _IMP_core._object_cast_to_NearestNeighborsClosePairsFinder(o)
437 _object_types.append(
"CentroidOfRefined")
440 def _object_cast_to_CentroidOfRefined(o):
441 r"""_object_cast_to_CentroidOfRefined(Object o) -> CentroidOfRefined"""
442 return _IMP_core._object_cast_to_CentroidOfRefined(o)
444 _object_types.append(
"ChecksScoreState")
447 def _object_cast_to_ChecksScoreState(o):
448 r"""_object_cast_to_ChecksScoreState(Object o) -> ChecksScoreState"""
449 return _IMP_core._object_cast_to_ChecksScoreState(o)
451 _object_types.append(
"ChildrenRefiner")
454 def _object_cast_to_ChildrenRefiner(o):
455 r"""_object_cast_to_ChildrenRefiner(Object o) -> ChildrenRefiner"""
456 return _IMP_core._object_cast_to_ChildrenRefiner(o)
458 _object_types.append(
"ClosePairsFinder")
461 def _object_cast_to_ClosePairsFinder(o):
462 r"""_object_cast_to_ClosePairsFinder(Object o) -> ClosePairsFinder"""
463 return _IMP_core._object_cast_to_ClosePairsFinder(o)
465 _object_types.append(
"ClosePairsPairScore")
468 def _object_cast_to_ClosePairsPairScore(o):
469 r"""_object_cast_to_ClosePairsPairScore(Object o) -> ClosePairsPairScore"""
470 return _IMP_core._object_cast_to_ClosePairsPairScore(o)
472 _object_types.append(
"ClosedCubicSpline")
475 def _object_cast_to_ClosedCubicSpline(o):
476 r"""_object_cast_to_ClosedCubicSpline(Object o) -> ClosedCubicSpline"""
477 return _IMP_core._object_cast_to_ClosedCubicSpline(o)
479 _object_types.append(
"ConjugateGradients")
482 def _object_cast_to_ConjugateGradients(o):
483 r"""_object_cast_to_ConjugateGradients(Object o) -> ConjugateGradients"""
484 return _IMP_core._object_cast_to_ConjugateGradients(o)
486 _object_types.append(
"ConnectivityRestraint")
489 def _object_cast_to_ConnectivityRestraint(o):
490 r"""_object_cast_to_ConnectivityRestraint(Object o) -> ConnectivityRestraint"""
491 return _IMP_core._object_cast_to_ConnectivityRestraint(o)
493 _object_types.append(
"ConstantRestraint")
496 def _object_cast_to_ConstantRestraint(o):
497 r"""_object_cast_to_ConstantRestraint(Object o) -> ConstantRestraint"""
498 return _IMP_core._object_cast_to_ConstantRestraint(o)
500 _object_types.append(
"Cosine")
503 def _object_cast_to_Cosine(o):
504 r"""_object_cast_to_Cosine(Object o) -> Cosine"""
505 return _IMP_core._object_cast_to_Cosine(o)
507 _object_types.append(
"CoverRefined")
510 def _object_cast_to_CoverRefined(o):
511 r"""_object_cast_to_CoverRefined(Object o) -> CoverRefined"""
512 return _IMP_core._object_cast_to_CoverRefined(o)
514 _object_types.append(
"DerivativesFromRefined")
517 def _object_cast_to_DerivativesFromRefined(o):
518 r"""_object_cast_to_DerivativesFromRefined(Object o) -> DerivativesFromRefined"""
519 return _IMP_core._object_cast_to_DerivativesFromRefined(o)
521 _object_types.append(
"DerivativesToRefined")
524 def _object_cast_to_DerivativesToRefined(o):
525 r"""_object_cast_to_DerivativesToRefined(Object o) -> DerivativesToRefined"""
526 return _IMP_core._object_cast_to_DerivativesToRefined(o)
528 _object_types.append(
"WeightedDerivativesToRefined")
531 def _object_cast_to_WeightedDerivativesToRefined(o):
532 r"""_object_cast_to_WeightedDerivativesToRefined(Object o) -> IMP::core::WeightedDerivativesToRefined *"""
533 return _IMP_core._object_cast_to_WeightedDerivativesToRefined(o)
535 _object_types.append(
"DiameterRestraint")
538 def _object_cast_to_DiameterRestraint(o):
539 r"""_object_cast_to_DiameterRestraint(Object o) -> DiameterRestraint"""
540 return _IMP_core._object_cast_to_DiameterRestraint(o)
542 _object_types.append(
"DihedralRestraint")
545 def _object_cast_to_DihedralRestraint(o):
546 r"""_object_cast_to_DihedralRestraint(Object o) -> DihedralRestraint"""
547 return _IMP_core._object_cast_to_DihedralRestraint(o)
549 _object_types.append(
"DistanceRestraint")
552 def _object_cast_to_DistanceRestraint(o):
553 r"""_object_cast_to_DistanceRestraint(Object o) -> DistanceRestraint"""
554 return _IMP_core._object_cast_to_DistanceRestraint(o)
556 _object_types.append(
"DistanceToSingletonScore")
559 def _object_cast_to_DistanceToSingletonScore(o):
560 r"""_object_cast_to_DistanceToSingletonScore(Object o) -> DistanceToSingletonScore"""
561 return _IMP_core._object_cast_to_DistanceToSingletonScore(o)
563 _object_types.append(
"ExcludedVolumeRestraint")
566 def _object_cast_to_ExcludedVolumeRestraint(o):
567 r"""_object_cast_to_ExcludedVolumeRestraint(Object o) -> ExcludedVolumeRestraint"""
568 return _IMP_core._object_cast_to_ExcludedVolumeRestraint(o)
570 _object_types.append(
"FixedRefiner")
573 def _object_cast_to_FixedRefiner(o):
574 r"""_object_cast_to_FixedRefiner(Object o) -> FixedRefiner"""
575 return _IMP_core._object_cast_to_FixedRefiner(o)
577 _object_types.append(
"GridClosePairsFinder")
580 def _object_cast_to_GridClosePairsFinder(o):
581 r"""_object_cast_to_GridClosePairsFinder(Object o) -> GridClosePairsFinder"""
582 return _IMP_core._object_cast_to_GridClosePairsFinder(o)
584 _object_types.append(
"Harmonic")
587 def _object_cast_to_Harmonic(o):
588 r"""_object_cast_to_Harmonic(Object o) -> Harmonic"""
589 return _IMP_core._object_cast_to_Harmonic(o)
591 _object_types.append(
"HarmonicWell")
594 def _object_cast_to_HarmonicWell(o):
595 r"""_object_cast_to_HarmonicWell(Object o) -> HarmonicWell"""
596 return _IMP_core._object_cast_to_HarmonicWell(o)
598 _object_types.append(
"HarmonicLowerBound")
601 def _object_cast_to_HarmonicLowerBound(o):
602 r"""_object_cast_to_HarmonicLowerBound(Object o) -> HarmonicLowerBound"""
603 return _IMP_core._object_cast_to_HarmonicLowerBound(o)
605 _object_types.append(
"HarmonicUpperBound")
608 def _object_cast_to_HarmonicUpperBound(o):
609 r"""_object_cast_to_HarmonicUpperBound(Object o) -> HarmonicUpperBound"""
610 return _IMP_core._object_cast_to_HarmonicUpperBound(o)
612 _object_types.append(
"HarmonicSphereDistancePairScore")
615 def _object_cast_to_HarmonicSphereDistancePairScore(o):
616 r"""_object_cast_to_HarmonicSphereDistancePairScore(Object o) -> HarmonicSphereDistancePairScore"""
617 return _IMP_core._object_cast_to_HarmonicSphereDistancePairScore(o)
619 _object_types.append(
"HarmonicUpperBoundSphereDistancePairScore")
622 def _object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o):
623 r"""_object_cast_to_HarmonicUpperBoundSphereDistancePairScore(Object o) -> HarmonicUpperBoundSphereDistancePairScore"""
624 return _IMP_core._object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o)
626 _object_types.append(
"HarmonicUpperBoundSphereDiameterPairScore")
629 def _object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o):
630 r"""_object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(Object o) -> HarmonicUpperBoundSphereDiameterPairScore"""
631 return _IMP_core._object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o)
633 _object_types.append(
"HarmonicSurfaceDistancePairScore")
636 def _object_cast_to_HarmonicSurfaceDistancePairScore(o):
637 r"""_object_cast_to_HarmonicSurfaceDistancePairScore(Object o) -> HarmonicSurfaceDistancePairScore"""
638 return _IMP_core._object_cast_to_HarmonicSurfaceDistancePairScore(o)
640 _object_types.append(
"HarmonicSurfaceHeightPairScore")
643 def _object_cast_to_HarmonicSurfaceHeightPairScore(o):
644 r"""_object_cast_to_HarmonicSurfaceHeightPairScore(Object o) -> HarmonicSurfaceHeightPairScore"""
645 return _IMP_core._object_cast_to_HarmonicSurfaceHeightPairScore(o)
647 _object_types.append(
"HarmonicSurfaceDepthPairScore")
650 def _object_cast_to_HarmonicSurfaceDepthPairScore(o):
651 r"""_object_cast_to_HarmonicSurfaceDepthPairScore(Object o) -> HarmonicSurfaceDepthPairScore"""
652 return _IMP_core._object_cast_to_HarmonicSurfaceDepthPairScore(o)
654 _object_types.append(
"WeightedSum")
657 def _object_cast_to_WeightedSum(o):
658 r"""_object_cast_to_WeightedSum(Object o) -> WeightedSum"""
659 return _IMP_core._object_cast_to_WeightedSum(o)
661 _object_types.append(
"WeightedSumOfExponential")
664 def _object_cast_to_WeightedSumOfExponential(o):
665 r"""_object_cast_to_WeightedSumOfExponential(Object o) -> WeightedSumOfExponential"""
666 return _IMP_core._object_cast_to_WeightedSumOfExponential(o)
668 _object_types.append(
"KClosePairsPairScore")
671 def _object_cast_to_KClosePairsPairScore(o):
672 r"""_object_cast_to_KClosePairsPairScore(Object o) -> KClosePairsPairScore"""
673 return _IMP_core._object_cast_to_KClosePairsPairScore(o)
675 _object_types.append(
"LeavesRefiner")
678 def _object_cast_to_LeavesRefiner(o):
679 r"""_object_cast_to_LeavesRefiner(Object o) -> LeavesRefiner"""
680 return _IMP_core._object_cast_to_LeavesRefiner(o)
682 _object_types.append(
"Linear")
685 def _object_cast_to_Linear(o):
686 r"""_object_cast_to_Linear(Object o) -> Linear"""
687 return _IMP_core._object_cast_to_Linear(o)
689 _object_types.append(
"LogNormalMover")
692 def _object_cast_to_LogNormalMover(o):
693 r"""_object_cast_to_LogNormalMover(Object o) -> LogNormalMover"""
694 return _IMP_core._object_cast_to_LogNormalMover(o)
696 _object_types.append(
"MCCGSampler")
699 def _object_cast_to_MCCGSampler(o):
700 r"""_object_cast_to_MCCGSampler(Object o) -> MCCGSampler"""
701 return _IMP_core._object_cast_to_MCCGSampler(o)
703 _object_types.append(
"MonteCarlo")
706 def _object_cast_to_MonteCarlo(o):
707 r"""_object_cast_to_MonteCarlo(Object o) -> MonteCarlo"""
708 return _IMP_core._object_cast_to_MonteCarlo(o)
710 _object_types.append(
"MonteCarloWithLocalOptimization")
713 def _object_cast_to_MonteCarloWithLocalOptimization(o):
714 r"""_object_cast_to_MonteCarloWithLocalOptimization(Object o) -> MonteCarloWithLocalOptimization"""
715 return _IMP_core._object_cast_to_MonteCarloWithLocalOptimization(o)
717 _object_types.append(
"MonteCarloWithBasinHopping")
720 def _object_cast_to_MonteCarloWithBasinHopping(o):
721 r"""_object_cast_to_MonteCarloWithBasinHopping(Object o) -> MonteCarloWithBasinHopping"""
722 return _IMP_core._object_cast_to_MonteCarloWithBasinHopping(o)
724 _object_types.append(
"MSConnectivityRestraint")
727 def _object_cast_to_MSConnectivityRestraint(o):
728 r"""_object_cast_to_MSConnectivityRestraint(Object o) -> MSConnectivityRestraint"""
729 return _IMP_core._object_cast_to_MSConnectivityRestraint(o)
731 _object_types.append(
"NeighborsTable")
734 def _object_cast_to_NeighborsTable(o):
735 r"""_object_cast_to_NeighborsTable(Object o) -> NeighborsTable"""
736 return _IMP_core._object_cast_to_NeighborsTable(o)
738 _object_types.append(
"NormalMover")
741 def _object_cast_to_NormalMover(o):
742 r"""_object_cast_to_NormalMover(Object o) -> NormalMover"""
743 return _IMP_core._object_cast_to_NormalMover(o)
745 _object_types.append(
"NormalizedSphereDistancePairScore")
748 def _object_cast_to_NormalizedSphereDistancePairScore(o):
749 r"""_object_cast_to_NormalizedSphereDistancePairScore(Object o) -> NormalizedSphereDistancePairScore"""
750 return _IMP_core._object_cast_to_NormalizedSphereDistancePairScore(o)
752 _object_types.append(
"OpenCubicSpline")
755 def _object_cast_to_OpenCubicSpline(o):
756 r"""_object_cast_to_OpenCubicSpline(Object o) -> OpenCubicSpline"""
757 return _IMP_core._object_cast_to_OpenCubicSpline(o)
759 _object_types.append(
"PairConstraint")
762 def _object_cast_to_PairConstraint(o):
763 r"""_object_cast_to_PairConstraint(Object o) -> PairConstraint"""
764 return _IMP_core._object_cast_to_PairConstraint(o)
766 _object_types.append(
"PairRestraint")
769 def _object_cast_to_PairRestraint(o):
770 r"""_object_cast_to_PairRestraint(Object o) -> PairRestraint"""
771 return _IMP_core._object_cast_to_PairRestraint(o)
773 _object_types.append(
"QuadConstraint")
776 def _object_cast_to_QuadConstraint(o):
777 r"""_object_cast_to_QuadConstraint(Object o) -> QuadConstraint"""
778 return _IMP_core._object_cast_to_QuadConstraint(o)
780 _object_types.append(
"QuadRestraint")
783 def _object_cast_to_QuadRestraint(o):
784 r"""_object_cast_to_QuadRestraint(Object o) -> QuadRestraint"""
785 return _IMP_core._object_cast_to_QuadRestraint(o)
787 _object_types.append(
"QuadraticClosePairsFinder")
790 def _object_cast_to_QuadraticClosePairsFinder(o):
791 r"""_object_cast_to_QuadraticClosePairsFinder(Object o) -> QuadraticClosePairsFinder"""
792 return _IMP_core._object_cast_to_QuadraticClosePairsFinder(o)
794 _object_types.append(
"RefinedPairsPairScore")
797 def _object_cast_to_RefinedPairsPairScore(o):
798 r"""_object_cast_to_RefinedPairsPairScore(Object o) -> RefinedPairsPairScore"""
799 return _IMP_core._object_cast_to_RefinedPairsPairScore(o)
801 _object_types.append(
"RestraintsScoringFunction")
804 def _object_cast_to_RestraintsScoringFunction(o):
805 r"""_object_cast_to_RestraintsScoringFunction(Object o) -> RestraintsScoringFunction"""
806 return _IMP_core._object_cast_to_RestraintsScoringFunction(o)
808 _object_types.append(
"RigidBodyDistancePairScore")
811 def _object_cast_to_RigidBodyDistancePairScore(o):
812 r"""_object_cast_to_RigidBodyDistancePairScore(Object o) -> RigidBodyDistancePairScore"""
813 return _IMP_core._object_cast_to_RigidBodyDistancePairScore(o)
815 _object_types.append(
"RigidBodyAnglePairScore")
818 def _object_cast_to_RigidBodyAnglePairScore(o):
819 r"""_object_cast_to_RigidBodyAnglePairScore(Object o) -> RigidBodyAnglePairScore"""
820 return _IMP_core._object_cast_to_RigidBodyAnglePairScore(o)
822 _object_types.append(
"RigidBodyMover")
825 def _object_cast_to_RigidBodyMover(o):
826 r"""_object_cast_to_RigidBodyMover(Object o) -> RigidBodyMover"""
827 return _IMP_core._object_cast_to_RigidBodyMover(o)
829 _object_types.append(
"RigidBodyTunneler")
832 def _object_cast_to_RigidBodyTunneler(o):
833 r"""_object_cast_to_RigidBodyTunneler(Object o) -> RigidBodyTunneler"""
834 return _IMP_core._object_cast_to_RigidBodyTunneler(o)
836 _object_types.append(
"RigidBodyUmbrella")
839 def _object_cast_to_RigidBodyUmbrella(o):
840 r"""_object_cast_to_RigidBodyUmbrella(Object o) -> RigidBodyUmbrella"""
841 return _IMP_core._object_cast_to_RigidBodyUmbrella(o)
843 _object_types.append(
"_UpdateRigidBodyMembers")
846 def _object_cast_to__UpdateRigidBodyMembers(o):
847 r"""_object_cast_to__UpdateRigidBodyMembers(Object o) -> _UpdateRigidBodyMembers"""
848 return _IMP_core._object_cast_to__UpdateRigidBodyMembers(o)
850 _object_types.append(
"_AccumulateRigidBodyDerivatives")
853 def _object_cast_to__AccumulateRigidBodyDerivatives(o):
854 r"""_object_cast_to__AccumulateRigidBodyDerivatives(Object o) -> _AccumulateRigidBodyDerivatives"""
855 return _IMP_core._object_cast_to__AccumulateRigidBodyDerivatives(o)
857 _object_types.append(
"_RigidBodyNormalizeConstraint")
860 def _object_cast_to__RigidBodyNormalizeConstraint(o):
861 r"""_object_cast_to__RigidBodyNormalizeConstraint(Object o) -> _RigidBodyNormalizeConstraint"""
862 return _IMP_core._object_cast_to__RigidBodyNormalizeConstraint(o)
864 _object_types.append(
"_NormalizeRotation")
867 def _object_cast_to__NormalizeRotation(o):
868 r"""_object_cast_to__NormalizeRotation(Object o) -> _NormalizeRotation"""
869 return _IMP_core._object_cast_to__NormalizeRotation(o)
871 _object_types.append(
"_RigidBodyPositionConstraint")
874 def _object_cast_to__RigidBodyPositionConstraint(o):
875 r"""_object_cast_to__RigidBodyPositionConstraint(Object o) -> _RigidBodyPositionConstraint"""
876 return _IMP_core._object_cast_to__RigidBodyPositionConstraint(o)
878 _object_types.append(
"RigidClosePairsFinder")
881 def _object_cast_to_RigidClosePairsFinder(o):
882 r"""_object_cast_to_RigidClosePairsFinder(Object o) -> RigidClosePairsFinder"""
883 return _IMP_core._object_cast_to_RigidClosePairsFinder(o)
885 _object_types.append(
"RigidMembersRefiner")
888 def _object_cast_to_RigidMembersRefiner(o):
889 r"""_object_cast_to_RigidMembersRefiner(Object o) -> RigidMembersRefiner"""
890 return _IMP_core._object_cast_to_RigidMembersRefiner(o)
892 _object_types.append(
"SingletonConstraint")
895 def _object_cast_to_SingletonConstraint(o):
896 r"""_object_cast_to_SingletonConstraint(Object o) -> SingletonConstraint"""
897 return _IMP_core._object_cast_to_SingletonConstraint(o)
899 _object_types.append(
"SingletonRestraint")
902 def _object_cast_to_SingletonRestraint(o):
903 r"""_object_cast_to_SingletonRestraint(Object o) -> SingletonRestraint"""
904 return _IMP_core._object_cast_to_SingletonRestraint(o)
906 _object_types.append(
"SoftSpherePairScore")
909 def _object_cast_to_SoftSpherePairScore(o):
910 r"""_object_cast_to_SoftSpherePairScore(Object o) -> SoftSpherePairScore"""
911 return _IMP_core._object_cast_to_SoftSpherePairScore(o)
913 _object_types.append(
"_SphereDistancePairScore")
916 def _object_cast_to__SphereDistancePairScore(o):
917 r"""_object_cast_to__SphereDistancePairScore(Object o) -> _SphereDistancePairScore"""
918 return _IMP_core._object_cast_to__SphereDistancePairScore(o)
920 _object_types.append(
"SphereDistanceToSingletonScore")
923 def _object_cast_to_SphereDistanceToSingletonScore(o):
924 r"""_object_cast_to_SphereDistanceToSingletonScore(Object o) -> SphereDistanceToSingletonScore"""
925 return _IMP_core._object_cast_to_SphereDistanceToSingletonScore(o)
927 _object_types.append(
"SoftSubSurfacePairScore")
930 def _object_cast_to_SoftSubSurfacePairScore(o):
931 r"""_object_cast_to_SoftSubSurfacePairScore(Object o) -> SoftSubSurfacePairScore"""
932 return _IMP_core._object_cast_to_SoftSubSurfacePairScore(o)
934 _object_types.append(
"SoftSuperSurfacePairScore")
937 def _object_cast_to_SoftSuperSurfacePairScore(o):
938 r"""_object_cast_to_SoftSuperSurfacePairScore(Object o) -> SoftSuperSurfacePairScore"""
939 return _IMP_core._object_cast_to_SoftSuperSurfacePairScore(o)
941 _object_types.append(
"SurfaceDistancePairScore")
944 def _object_cast_to_SurfaceDistancePairScore(o):
945 r"""_object_cast_to_SurfaceDistancePairScore(Object o) -> SurfaceDistancePairScore"""
946 return _IMP_core._object_cast_to_SurfaceDistancePairScore(o)
948 _object_types.append(
"SurfaceHeightPairScore")
951 def _object_cast_to_SurfaceHeightPairScore(o):
952 r"""_object_cast_to_SurfaceHeightPairScore(Object o) -> SurfaceHeightPairScore"""
953 return _IMP_core._object_cast_to_SurfaceHeightPairScore(o)
955 _object_types.append(
"SurfaceDepthPairScore")
958 def _object_cast_to_SurfaceDepthPairScore(o):
959 r"""_object_cast_to_SurfaceDepthPairScore(Object o) -> SurfaceDepthPairScore"""
960 return _IMP_core._object_cast_to_SurfaceDepthPairScore(o)
962 _object_types.append(
"SurfaceTetheredChain")
965 def _object_cast_to_SurfaceTetheredChain(o):
966 r"""_object_cast_to_SurfaceTetheredChain(Object o) -> SurfaceTetheredChain"""
967 return _IMP_core._object_cast_to_SurfaceTetheredChain(o)
969 _object_types.append(
"SurfaceSymmetryConstraint")
972 def _object_cast_to_SurfaceSymmetryConstraint(o):
973 r"""_object_cast_to_SurfaceSymmetryConstraint(Object o) -> SurfaceSymmetryConstraint"""
974 return _IMP_core._object_cast_to_SurfaceSymmetryConstraint(o)
976 _object_types.append(
"SteepestDescent")
979 def _object_cast_to_SteepestDescent(o):
980 r"""_object_cast_to_SteepestDescent(Object o) -> SteepestDescent"""
981 return _IMP_core._object_cast_to_SteepestDescent(o)
983 _object_types.append(
"TableRefiner")
986 def _object_cast_to_TableRefiner(o):
987 r"""_object_cast_to_TableRefiner(Object o) -> TableRefiner"""
988 return _IMP_core._object_cast_to_TableRefiner(o)
990 _object_types.append(
"Transform")
993 def _object_cast_to_Transform(o):
994 r"""_object_cast_to_Transform(Object o) -> Transform"""
995 return _IMP_core._object_cast_to_Transform(o)
997 _object_types.append(
"TransformationAndReflectionSymmetry")
1000 def _object_cast_to_TransformationAndReflectionSymmetry(o):
1001 r"""_object_cast_to_TransformationAndReflectionSymmetry(Object o) -> TransformationAndReflectionSymmetry"""
1002 return _IMP_core._object_cast_to_TransformationAndReflectionSymmetry(o)
1004 _object_types.append(
"TransformationSymmetry")
1007 def _object_cast_to_TransformationSymmetry(o):
1008 r"""_object_cast_to_TransformationSymmetry(Object o) -> TransformationSymmetry"""
1009 return _IMP_core._object_cast_to_TransformationSymmetry(o)
1011 _object_types.append(
"TransformationSymmetryMover")
1014 def _object_cast_to_TransformationSymmetryMover(o):
1015 r"""_object_cast_to_TransformationSymmetryMover(Object o) -> TransformationSymmetryMover"""
1016 return _IMP_core._object_cast_to_TransformationSymmetryMover(o)
1018 _object_types.append(
"TransformedDistancePairScore")
1021 def _object_cast_to_TransformedDistancePairScore(o):
1022 r"""_object_cast_to_TransformedDistancePairScore(Object o) -> TransformedDistancePairScore"""
1023 return _IMP_core._object_cast_to_TransformedDistancePairScore(o)
1025 _object_types.append(
"TripletConstraint")
1028 def _object_cast_to_TripletConstraint(o):
1029 r"""_object_cast_to_TripletConstraint(Object o) -> TripletConstraint"""
1030 return _IMP_core._object_cast_to_TripletConstraint(o)
1032 _object_types.append(
"TripletRestraint")
1035 def _object_cast_to_TripletRestraint(o):
1036 r"""_object_cast_to_TripletRestraint(Object o) -> TripletRestraint"""
1037 return _IMP_core._object_cast_to_TripletRestraint(o)
1039 _object_types.append(
"TypedPairScore")
1042 def _object_cast_to_TypedPairScore(o):
1043 r"""_object_cast_to_TypedPairScore(Object o) -> TypedPairScore"""
1044 return _IMP_core._object_cast_to_TypedPairScore(o)
1046 _object_types.append(
"VolumeRestraint")
1049 def _object_cast_to_VolumeRestraint(o):
1050 r"""_object_cast_to_VolumeRestraint(Object o) -> VolumeRestraint"""
1051 return _IMP_core._object_cast_to_VolumeRestraint(o)
1053 _object_types.append(
"WeightedSphereDistancePairScore")
1056 def _object_cast_to_WeightedSphereDistancePairScore(o):
1057 r"""_object_cast_to_WeightedSphereDistancePairScore(Object o) -> WeightedSphereDistancePairScore"""
1058 return _IMP_core._object_cast_to_WeightedSphereDistancePairScore(o)
1060 _object_types.append(
"MoveStatisticsScoreState")
1063 def _object_cast_to_MoveStatisticsScoreState(o):
1064 r"""_object_cast_to_MoveStatisticsScoreState(Object o) -> MoveStatisticsScoreState"""
1065 return _IMP_core._object_cast_to_MoveStatisticsScoreState(o)
1067 _object_types.append(
"MinimumRestraint")
1070 def _object_cast_to_MinimumRestraint(o):
1071 r"""_object_cast_to_MinimumRestraint(Object o) -> MinimumRestraint"""
1072 return _IMP_core._object_cast_to_MinimumRestraint(o)
1074 _object_types.append(
"WriteRestraintScoresOptimizerState")
1077 def _object_cast_to_WriteRestraintScoresOptimizerState(o):
1078 r"""_object_cast_to_WriteRestraintScoresOptimizerState(Object o) -> WriteRestraintScoresOptimizerState"""
1079 return _IMP_core._object_cast_to_WriteRestraintScoresOptimizerState(o)
1081 _object_types.append(
"LateralSurfaceConstraint")
1084 def _object_cast_to_LateralSurfaceConstraint(o):
1085 r"""_object_cast_to_LateralSurfaceConstraint(Object o) -> LateralSurfaceConstraint"""
1086 return _IMP_core._object_cast_to_LateralSurfaceConstraint(o)
1088 _object_types.append(
"ConstantSingletonPredicate")
1091 def _object_cast_to_ConstantSingletonPredicate(o):
1092 r"""_object_cast_to_ConstantSingletonPredicate(Object o) -> ConstantSingletonPredicate"""
1093 return _IMP_core._object_cast_to_ConstantSingletonPredicate(o)
1095 _object_types.append(
"ConstantPairPredicate")
1098 def _object_cast_to_ConstantPairPredicate(o):
1099 r"""_object_cast_to_ConstantPairPredicate(Object o) -> ConstantPairPredicate"""
1100 return _IMP_core._object_cast_to_ConstantPairPredicate(o)
1102 _object_types.append(
"ConstantTripletPredicate")
1105 def _object_cast_to_ConstantTripletPredicate(o):
1106 r"""_object_cast_to_ConstantTripletPredicate(Object o) -> ConstantTripletPredicate"""
1107 return _IMP_core._object_cast_to_ConstantTripletPredicate(o)
1109 _object_types.append(
"ConstantQuadPredicate")
1112 def _object_cast_to_ConstantQuadPredicate(o):
1113 r"""_object_cast_to_ConstantQuadPredicate(Object o) -> ConstantQuadPredicate"""
1114 return _IMP_core._object_cast_to_ConstantQuadPredicate(o)
1116 _object_types.append(
"CoinFlipSingletonPredicate")
1119 def _object_cast_to_CoinFlipSingletonPredicate(o):
1120 r"""_object_cast_to_CoinFlipSingletonPredicate(Object o) -> CoinFlipSingletonPredicate"""
1121 return _IMP_core._object_cast_to_CoinFlipSingletonPredicate(o)
1123 _object_types.append(
"CoinFlipPairPredicate")
1126 def _object_cast_to_CoinFlipPairPredicate(o):
1127 r"""_object_cast_to_CoinFlipPairPredicate(Object o) -> CoinFlipPairPredicate"""
1128 return _IMP_core._object_cast_to_CoinFlipPairPredicate(o)
1130 _object_types.append(
"CoinFlipTripletPredicate")
1133 def _object_cast_to_CoinFlipTripletPredicate(o):
1134 r"""_object_cast_to_CoinFlipTripletPredicate(Object o) -> CoinFlipTripletPredicate"""
1135 return _IMP_core._object_cast_to_CoinFlipTripletPredicate(o)
1137 _object_types.append(
"CoinFlipQuadPredicate")
1140 def _object_cast_to_CoinFlipQuadPredicate(o):
1141 r"""_object_cast_to_CoinFlipQuadPredicate(Object o) -> CoinFlipQuadPredicate"""
1142 return _IMP_core._object_cast_to_CoinFlipQuadPredicate(o)
1144 _object_types.append(
"UnorderedTypeSingletonPredicate")
1147 def _object_cast_to_UnorderedTypeSingletonPredicate(o):
1148 r"""_object_cast_to_UnorderedTypeSingletonPredicate(Object o) -> UnorderedTypeSingletonPredicate"""
1149 return _IMP_core._object_cast_to_UnorderedTypeSingletonPredicate(o)
1151 _object_types.append(
"UnorderedTypePairPredicate")
1154 def _object_cast_to_UnorderedTypePairPredicate(o):
1155 r"""_object_cast_to_UnorderedTypePairPredicate(Object o) -> UnorderedTypePairPredicate"""
1156 return _IMP_core._object_cast_to_UnorderedTypePairPredicate(o)
1158 _object_types.append(
"UnorderedTypeTripletPredicate")
1161 def _object_cast_to_UnorderedTypeTripletPredicate(o):
1162 r"""_object_cast_to_UnorderedTypeTripletPredicate(Object o) -> UnorderedTypeTripletPredicate"""
1163 return _IMP_core._object_cast_to_UnorderedTypeTripletPredicate(o)
1165 _object_types.append(
"UnorderedTypeQuadPredicate")
1168 def _object_cast_to_UnorderedTypeQuadPredicate(o):
1169 r"""_object_cast_to_UnorderedTypeQuadPredicate(Object o) -> UnorderedTypeQuadPredicate"""
1170 return _IMP_core._object_cast_to_UnorderedTypeQuadPredicate(o)
1172 _object_types.append(
"OrderedTypeSingletonPredicate")
1175 def _object_cast_to_OrderedTypeSingletonPredicate(o):
1176 r"""_object_cast_to_OrderedTypeSingletonPredicate(Object o) -> OrderedTypeSingletonPredicate"""
1177 return _IMP_core._object_cast_to_OrderedTypeSingletonPredicate(o)
1179 _object_types.append(
"OrderedTypePairPredicate")
1182 def _object_cast_to_OrderedTypePairPredicate(o):
1183 r"""_object_cast_to_OrderedTypePairPredicate(Object o) -> OrderedTypePairPredicate"""
1184 return _IMP_core._object_cast_to_OrderedTypePairPredicate(o)
1186 _object_types.append(
"OrderedTypeTripletPredicate")
1189 def _object_cast_to_OrderedTypeTripletPredicate(o):
1190 r"""_object_cast_to_OrderedTypeTripletPredicate(Object o) -> OrderedTypeTripletPredicate"""
1191 return _IMP_core._object_cast_to_OrderedTypeTripletPredicate(o)
1193 _object_types.append(
"OrderedTypeQuadPredicate")
1196 def _object_cast_to_OrderedTypeQuadPredicate(o):
1197 r"""_object_cast_to_OrderedTypeQuadPredicate(Object o) -> OrderedTypeQuadPredicate"""
1198 return _IMP_core._object_cast_to_OrderedTypeQuadPredicate(o)
1200 _object_types.append(
"AllSameSingletonPredicate")
1203 def _object_cast_to_AllSameSingletonPredicate(o):
1204 r"""_object_cast_to_AllSameSingletonPredicate(Object o) -> AllSameSingletonPredicate"""
1205 return _IMP_core._object_cast_to_AllSameSingletonPredicate(o)
1207 _object_types.append(
"AllSamePairPredicate")
1210 def _object_cast_to_AllSamePairPredicate(o):
1211 r"""_object_cast_to_AllSamePairPredicate(Object o) -> AllSamePairPredicate"""
1212 return _IMP_core._object_cast_to_AllSamePairPredicate(o)
1214 _object_types.append(
"AllSameTripletPredicate")
1217 def _object_cast_to_AllSameTripletPredicate(o):
1218 r"""_object_cast_to_AllSameTripletPredicate(Object o) -> AllSameTripletPredicate"""
1219 return _IMP_core._object_cast_to_AllSameTripletPredicate(o)
1221 _object_types.append(
"AllSameQuadPredicate")
1224 def _object_cast_to_AllSameQuadPredicate(o):
1225 r"""_object_cast_to_AllSameQuadPredicate(Object o) -> AllSameQuadPredicate"""
1226 return _IMP_core._object_cast_to_AllSameQuadPredicate(o)
1229 return [XYZ(x)
for x
in l]
1230 _plural_types.append(
"XYZs")
1233 _value_types.append(
"XYZ")
1237 return [XYZR(x)
for x
in l]
1238 _plural_types.append(
"XYZRs")
1241 _value_types.append(
"XYZR")
1244 def RigidBodies(l=[]):
1245 return [RigidBody(x)
for x
in l]
1246 _plural_types.append(
"RigidBodies")
1249 _value_types.append(
"RigidBody")
1252 def RigidBodyMembers(l=[]):
1253 return [RigidBodyMember(x)
for x
in l]
1254 _plural_types.append(
"RigidBodyMembers")
1257 _value_types.append(
"RigidBodyMember")
1260 def RigidMembers(l=[]):
1261 return [RigidMember(x)
for x
in l]
1262 _plural_types.append(
"RigidMembers")
1265 _value_types.append(
"RigidMember")
1268 def NonRigidMembers(l=[]):
1269 return [NonRigidMember(x)
for x
in l]
1270 _plural_types.append(
"NonRigidMembers")
1273 _value_types.append(
"NonRigidMember")
1276 def Centroids(l=[]):
1277 return [Centroid(x)
for x
in l]
1278 _plural_types.append(
"Centroids")
1281 _value_types.append(
"Centroid")
1285 return [Cover(x)
for x
in l]
1286 _plural_types.append(
"Covers")
1289 _value_types.append(
"Cover")
1292 def References(l=[]):
1293 return [Reference(x)
for x
in l]
1294 _plural_types.append(
"References")
1297 _value_types.append(
"Reference")
1301 _plural_types.append(
"ParticleTypes")
1302 _value_types.append(
"ParticleType")
1306 return [Typed(x)
for x
in l]
1307 _plural_types.append(
"Typeds")
1310 _value_types.append(
"Typed")
1313 def GenericHierarchies(l=[]):
1314 return [Hierarchy(x)
for x
in l]
1315 _plural_types.append(
"GenericHierarchies")
1318 _value_types.append(
"Hierarchy")
1321 def Gaussians(l=[]):
1322 return [Gaussian(x)
for x
in l]
1323 _plural_types.append(
"Gaussians")
1326 _value_types.append(
"Gaussian")
1329 def Directions(l=[]):
1330 return [Direction(x)
for x
in l]
1331 _plural_types.append(
"Directions")
1334 _value_types.append(
"Direction")
1337 def DirectionAngles(l=[]):
1338 return [DirectionAngle(x)
for x
in l]
1339 _plural_types.append(
"DirectionAngles")
1342 _value_types.append(
"DirectionAngle")
1346 return [Surface(x)
for x
in l]
1347 _plural_types.append(
"Surfaces")
1350 _value_types.append(
"Surface")
1353 def Provenances(l=[]):
1354 return [Provenance(x)
for x
in l]
1355 _plural_types.append(
"Provenances")
1358 _value_types.append(
"Provenance")
1361 def StructureProvenances(l=[]):
1362 return [StructureProvenance(x)
for x
in l]
1363 _plural_types.append(
"StructureProvenances")
1366 _value_types.append(
"StructureProvenance")
1369 def SampleProvenances(l=[]):
1370 return [SampleProvenance(x)
for x
in l]
1371 _plural_types.append(
"SampleProvenances")
1374 _value_types.append(
"SampleProvenance")
1377 def ClusterProvenances(l=[]):
1378 return [ClusterProvenance(x)
for x
in l]
1379 _plural_types.append(
"ClusterProvenances")
1382 _value_types.append(
"ClusterProvenance")
1385 def CombineProvenances(l=[]):
1386 return [CombineProvenance(x)
for x
in l]
1387 _plural_types.append(
"CombineProvenances")
1390 _value_types.append(
"CombineProvenance")
1393 def FilterProvenances(l=[]):
1394 return [FilterProvenance(x)
for x
in l]
1395 _plural_types.append(
"FilterProvenances")
1398 _value_types.append(
"FilterProvenance")
1401 def ScriptProvenances(l=[]):
1402 return [ScriptProvenance(x)
for x
in l]
1403 _plural_types.append(
"ScriptProvenances")
1406 _value_types.append(
"ScriptProvenance")
1409 def SoftwareProvenances(l=[]):
1410 return [SoftwareProvenance(x)
for x
in l]
1411 _plural_types.append(
"SoftwareProvenances")
1414 _value_types.append(
"SoftwareProvenance")
1417 def Provenanceds(l=[]):
1418 return [Provenanced(x)
for x
in l]
1419 _plural_types.append(
"Provenanceds")
1422 _value_types.append(
"Provenanced")
1425 HierarchyCounters=list
1426 _plural_types.append(
"HierarchyCounters")
1427 _value_types.append(
"HierarchyCounter")
1430 HierarchyTraitsList=list
1431 _plural_types.append(
"HierarchyTraitsList")
1432 _value_types.append(
"HierarchyTraits")
1435 _object_types.append(
"TruncatedHarmonicBound")
1438 def _object_cast_to_TruncatedHarmonicBound(o):
1439 r"""_object_cast_to_TruncatedHarmonicBound(Object o) -> TruncatedHarmonicBound"""
1440 return _IMP_core._object_cast_to_TruncatedHarmonicBound(o)
1442 _object_types.append(
"TruncatedHarmonicLowerBound")
1445 def _object_cast_to_TruncatedHarmonicLowerBound(o):
1446 r"""_object_cast_to_TruncatedHarmonicLowerBound(Object o) -> TruncatedHarmonicLowerBound"""
1447 return _IMP_core._object_cast_to_TruncatedHarmonicLowerBound(o)
1449 _object_types.append(
"TruncatedHarmonicUpperBound")
1452 def _object_cast_to_TruncatedHarmonicUpperBound(o):
1453 r"""_object_cast_to_TruncatedHarmonicUpperBound(Object o) -> TruncatedHarmonicUpperBound"""
1454 return _IMP_core._object_cast_to_TruncatedHarmonicUpperBound(o)
1456 _object_types.append(
"HarmonicDistancePairScore")
1459 def _object_cast_to_HarmonicDistancePairScore(o):
1460 r"""_object_cast_to_HarmonicDistancePairScore(Object o) -> HarmonicDistancePairScore"""
1461 return _IMP_core._object_cast_to_HarmonicDistancePairScore(o)
1463 _object_types.append(
"DistancePairScore")
1466 def _object_cast_to_DistancePairScore(o):
1467 r"""_object_cast_to_DistancePairScore(Object o) -> DistancePairScore"""
1468 return _IMP_core._object_cast_to_DistancePairScore(o)
1470 _object_types.append(
"XYZRGeometry")
1473 def _object_cast_to_XYZRGeometry(o):
1474 r"""_object_cast_to_XYZRGeometry(Object o) -> XYZRGeometry"""
1475 return _IMP_core._object_cast_to_XYZRGeometry(o)
1477 _object_types.append(
"XYZRsGeometry")
1480 def _object_cast_to_XYZRsGeometry(o):
1481 r"""_object_cast_to_XYZRsGeometry(Object o) -> XYZRsGeometry"""
1482 return _IMP_core._object_cast_to_XYZRsGeometry(o)
1484 _object_types.append(
"XYZDerivativeGeometry")
1487 def _object_cast_to_XYZDerivativeGeometry(o):
1488 r"""_object_cast_to_XYZDerivativeGeometry(Object o) -> XYZDerivativeGeometry"""
1489 return _IMP_core._object_cast_to_XYZDerivativeGeometry(o)
1491 _object_types.append(
"XYZDerivativesGeometry")
1494 def _object_cast_to_XYZDerivativesGeometry(o):
1495 r"""_object_cast_to_XYZDerivativesGeometry(Object o) -> XYZDerivativesGeometry"""
1496 return _IMP_core._object_cast_to_XYZDerivativesGeometry(o)
1498 _object_types.append(
"RigidBodyDerivativeGeometry")
1501 def _object_cast_to_RigidBodyDerivativeGeometry(o):
1502 r"""_object_cast_to_RigidBodyDerivativeGeometry(Object o) -> RigidBodyDerivativeGeometry"""
1503 return _IMP_core._object_cast_to_RigidBodyDerivativeGeometry(o)
1505 _object_types.append(
"RigidBodyDerivativesGeometry")
1508 def _object_cast_to_RigidBodyDerivativesGeometry(o):
1509 r"""_object_cast_to_RigidBodyDerivativesGeometry(Object o) -> RigidBodyDerivativesGeometry"""
1510 return _IMP_core._object_cast_to_RigidBodyDerivativesGeometry(o)
1512 _object_types.append(
"RigidBodyHierarchyGeometry")
1515 def _object_cast_to_RigidBodyHierarchyGeometry(o):
1516 r"""_object_cast_to_RigidBodyHierarchyGeometry(Object o) -> RigidBodyHierarchyGeometry"""
1517 return _IMP_core._object_cast_to_RigidBodyHierarchyGeometry(o)
1519 _object_types.append(
"RigidBodyFrameGeometry")
1522 def _object_cast_to_RigidBodyFrameGeometry(o):
1523 r"""_object_cast_to_RigidBodyFrameGeometry(Object o) -> RigidBodyFrameGeometry"""
1524 return _IMP_core._object_cast_to_RigidBodyFrameGeometry(o)
1526 _object_types.append(
"RigidBodyFramesGeometry")
1529 def _object_cast_to_RigidBodyFramesGeometry(o):
1530 r"""_object_cast_to_RigidBodyFramesGeometry(Object o) -> RigidBodyFramesGeometry"""
1531 return _IMP_core._object_cast_to_RigidBodyFramesGeometry(o)
1533 _object_types.append(
"RigidBodyTorque")
1536 def _object_cast_to_RigidBodyTorque(o):
1537 r"""_object_cast_to_RigidBodyTorque(Object o) -> RigidBodyTorque"""
1538 return _IMP_core._object_cast_to_RigidBodyTorque(o)
1540 _object_types.append(
"EdgePairGeometry")
1543 def _object_cast_to_EdgePairGeometry(o):
1544 r"""_object_cast_to_EdgePairGeometry(Object o) -> EdgePairGeometry"""
1545 return _IMP_core._object_cast_to_EdgePairGeometry(o)
1547 _object_types.append(
"EdgePairsGeometry")
1550 def _object_cast_to_EdgePairsGeometry(o):
1551 r"""_object_cast_to_EdgePairsGeometry(Object o) -> EdgePairsGeometry"""
1552 return _IMP_core._object_cast_to_EdgePairsGeometry(o)
1554 _object_types.append(
"SurfaceGeometry")
1557 def _object_cast_to_SurfaceGeometry(o):
1558 r"""_object_cast_to_SurfaceGeometry(Object o) -> SurfaceGeometry"""
1559 return _IMP_core._object_cast_to_SurfaceGeometry(o)
1561 _object_types.append(
"SurfaceGeometryConstraint")
1564 def _object_cast_to_SurfaceGeometryConstraint(o):
1565 r"""_object_cast_to_SurfaceGeometryConstraint(Object o) -> SurfaceGeometryConstraint"""
1566 return _IMP_core._object_cast_to_SurfaceGeometryConstraint(o)
1568 _object_types.append(
"AttributeSingletonPredicate")
1571 def _object_cast_to_AttributeSingletonPredicate(o):
1572 r"""_object_cast_to_AttributeSingletonPredicate(Object o) -> AttributeSingletonPredicate"""
1573 return _IMP_core._object_cast_to_AttributeSingletonPredicate(o)
1575 _object_types.append(
"InBoundingBox3DSingletonPredicate")
1578 def _object_cast_to_InBoundingBox3DSingletonPredicate(o):
1579 r"""_object_cast_to_InBoundingBox3DSingletonPredicate(Object o) -> InBoundingBox3DSingletonPredicate"""
1580 return _IMP_core._object_cast_to_InBoundingBox3DSingletonPredicate(o)
1582 _object_types.append(
"IsCollisionPairPredicate")
1585 def _object_cast_to_IsCollisionPairPredicate(o):
1586 r"""_object_cast_to_IsCollisionPairPredicate(Object o) -> IsCollisionPairPredicate"""
1587 return _IMP_core._object_cast_to_IsCollisionPairPredicate(o)
1589 BinormalTermList=list
1590 _plural_types.append(
"BinormalTermList")
1591 _value_types.append(
"BinormalTerm")
1594 _object_types.append(
"MultipleBinormalRestraint")
1597 def _object_cast_to_MultipleBinormalRestraint(o):
1598 r"""_object_cast_to_MultipleBinormalRestraint(Object o) -> MultipleBinormalRestraint"""
1599 return _IMP_core._object_cast_to_MultipleBinormalRestraint(o)
1600 class ClosePairsFinder(IMP._ParticleInputs,
IMP.Object):
1601 r"""Proxy of C++ IMP::core::ClosePairsFinder class."""
1603 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1605 def __init__(self, *args, **kwargs):
1606 raise AttributeError(
"No constructor defined - class is abstract")
1607 __swig_destroy__ = _IMP_core.delete_ClosePairsFinder
1609 def get_close_pairs(self, *args):
1611 get_close_pairs(ClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
1612 get_close_pairs(ClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
1613 get_close_pairs(ClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
1614 get_close_pairs(ClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
1616 return _IMP_core.ClosePairsFinder_get_close_pairs(self, *args)
1618 def set_distance(self, d):
1619 r"""set_distance(ClosePairsFinder self, double d)"""
1620 return _IMP_core.ClosePairsFinder_set_distance(self, d)
1623 r"""get_distance(ClosePairsFinder self) -> double"""
1624 return _IMP_core.ClosePairsFinder_get_distance(self)
1625 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)
1626 def __set_pair_filters(self, obj): IMP._list_util.set_varlist(self.pair_filters, obj)
1627 def __del_pair_filters(self): IMP._list_util.del_varlist(self.pair_filters)
1628 pair_filters = property(__get_pair_filters, __set_pair_filters, __del_pair_filters, doc=
"List of ##ucnames")
1630 def remove_pair_filter(self, d):
1631 r"""remove_pair_filter(ClosePairsFinder self, PairPredicate d)"""
1632 return _IMP_core.ClosePairsFinder_remove_pair_filter(self, d)
1634 def _python_index_pair_filter(self, d, start, stop):
1635 r"""_python_index_pair_filter(ClosePairsFinder self, PairPredicate d, unsigned int start, unsigned int stop) -> unsigned int"""
1636 return _IMP_core.ClosePairsFinder__python_index_pair_filter(self, d, start, stop)
1638 def remove_pair_filters(self, d):
1639 r"""remove_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & d)"""
1640 return _IMP_core.ClosePairsFinder_remove_pair_filters(self, d)
1642 def set_pair_filters(self, ps):
1643 r"""set_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & ps)"""
1644 return _IMP_core.ClosePairsFinder_set_pair_filters(self, ps)
1646 def set_pair_filters_order(self, objs):
1647 r"""set_pair_filters_order(ClosePairsFinder self, IMP::PairPredicates const & objs)"""
1648 return _IMP_core.ClosePairsFinder_set_pair_filters_order(self, objs)
1650 def add_pair_filter(self, obj):
1651 r"""add_pair_filter(ClosePairsFinder self, PairPredicate obj) -> unsigned int"""
1652 return _IMP_core.ClosePairsFinder_add_pair_filter(self, obj)
1654 def add_pair_filters(self, objs):
1655 r"""add_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & objs)"""
1656 return _IMP_core.ClosePairsFinder_add_pair_filters(self, objs)
1658 def clear_pair_filters(self):
1659 r"""clear_pair_filters(ClosePairsFinder self)"""
1660 return _IMP_core.ClosePairsFinder_clear_pair_filters(self)
1662 def get_number_of_pair_filters(self):
1663 r"""get_number_of_pair_filters(ClosePairsFinder self) -> unsigned int"""
1664 return _IMP_core.ClosePairsFinder_get_number_of_pair_filters(self)
1666 def get_has_pair_filters(self):
1667 r"""get_has_pair_filters(ClosePairsFinder self) -> bool"""
1668 return _IMP_core.ClosePairsFinder_get_has_pair_filters(self)
1670 def get_pair_filter(self, i):
1671 r"""get_pair_filter(ClosePairsFinder self, unsigned int i) -> PairPredicate"""
1672 return _IMP_core.ClosePairsFinder_get_pair_filter(self, i)
1674 def get_pair_filters(self):
1675 r"""get_pair_filters(ClosePairsFinder self) -> IMP::PairPredicates"""
1676 return _IMP_core.ClosePairsFinder_get_pair_filters(self)
1678 def erase_pair_filter(self, i):
1679 r"""erase_pair_filter(ClosePairsFinder self, unsigned int i)"""
1680 return _IMP_core.ClosePairsFinder_erase_pair_filter(self, i)
1682 def reserve_pair_filters(self, sz):
1683 r"""reserve_pair_filters(ClosePairsFinder self, unsigned int sz)"""
1684 return _IMP_core.ClosePairsFinder_reserve_pair_filters(self, sz)
1687 r"""__str__(ClosePairsFinder self) -> std::string"""
1688 return _IMP_core.ClosePairsFinder___str__(self)
1691 r"""__repr__(ClosePairsFinder self) -> std::string"""
1692 return _IMP_core.ClosePairsFinder___repr__(self)
1696 return _object_cast_to_ClosePairsFinder(o)
1700 _IMP_core.ClosePairsFinder_swigregister(ClosePairsFinder)
1701 class MonteCarloMoverResult(IMP._Value):
1702 r"""Proxy of C++ IMP::core::MonteCarloMoverResult class."""
1704 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1706 def __init__(self, *args):
1707 r"""__init__(MonteCarloMoverResult self, IMP::ParticleIndexes i0=IMP::ParticleIndexes(), double i1=double()) -> MonteCarloMoverResult"""
1708 _IMP_core.MonteCarloMoverResult_swiginit(self, _IMP_core.new_MonteCarloMoverResult(*args))
1711 r"""__hash__(MonteCarloMoverResult self) -> std::size_t"""
1712 return _IMP_core.MonteCarloMoverResult___hash__(self)
1714 def show(self, *args):
1715 r"""show(MonteCarloMoverResult self, _ostream out=std::cout)"""
1716 return _IMP_core.MonteCarloMoverResult_show(self, *args)
1718 def __cmp__(self, o):
1719 r"""__cmp__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> int"""
1720 return _IMP_core.MonteCarloMoverResult___cmp__(self, o)
1722 def __eq__(self, o):
1723 r"""__eq__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1724 return _IMP_core.MonteCarloMoverResult___eq__(self, o)
1726 def __ne__(self, o):
1727 r"""__ne__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1728 return _IMP_core.MonteCarloMoverResult___ne__(self, o)
1730 def __lt__(self, o):
1731 r"""__lt__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1732 return _IMP_core.MonteCarloMoverResult___lt__(self, o)
1734 def __gt__(self, o):
1735 r"""__gt__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1736 return _IMP_core.MonteCarloMoverResult___gt__(self, o)
1738 def __ge__(self, o):
1739 r"""__ge__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1740 return _IMP_core.MonteCarloMoverResult___ge__(self, o)
1742 def __le__(self, o):
1743 r"""__le__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1744 return _IMP_core.MonteCarloMoverResult___le__(self, o)
1746 def get_moved_particles(self):
1747 r"""get_moved_particles(MonteCarloMoverResult self) -> IMP::ParticleIndexes const &"""
1748 return _IMP_core.MonteCarloMoverResult_get_moved_particles(self)
1750 def set_moved_particles(self, v):
1751 r"""set_moved_particles(MonteCarloMoverResult self, IMP::ParticleIndexes const & v)"""
1752 return _IMP_core.MonteCarloMoverResult_set_moved_particles(self, v)
1754 def get_proposal_ratio(self):
1755 r"""get_proposal_ratio(MonteCarloMoverResult self) -> double const &"""
1756 return _IMP_core.MonteCarloMoverResult_get_proposal_ratio(self)
1758 def set_proposal_ratio(self, v):
1759 r"""set_proposal_ratio(MonteCarloMoverResult self, double const & v)"""
1760 return _IMP_core.MonteCarloMoverResult_set_proposal_ratio(self, v)
1763 r"""__str__(MonteCarloMoverResult self) -> std::string"""
1764 return _IMP_core.MonteCarloMoverResult___str__(self)
1767 r"""__repr__(MonteCarloMoverResult self) -> std::string"""
1768 return _IMP_core.MonteCarloMoverResult___repr__(self)
1769 __swig_destroy__ = _IMP_core.delete_MonteCarloMoverResult
1772 _IMP_core.MonteCarloMoverResult_swigregister(MonteCarloMoverResult)
1774 r"""Proxy of C++ IMP::core::MonteCarloMover class."""
1776 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1778 def __init__(self, *args):
1780 __init__(MonteCarloMover self, Model m, std::string name) -> MonteCarloMover
1781 __init__(MonteCarloMover self) -> MonteCarloMover
1783 if self.__class__ == MonteCarloMover:
1787 _IMP_core.MonteCarloMover_swiginit(self, _IMP_core.new_MonteCarloMover(_self, *args))
1789 if self.__class__ != MonteCarloMover:
1790 _director_objects.register(self)
1796 r"""propose(MonteCarloMover self) -> MonteCarloMoverResult"""
1797 return _IMP_core.MonteCarloMover_propose(self)
1800 r"""reject(MonteCarloMover self)"""
1801 return _IMP_core.MonteCarloMover_reject(self)
1804 r"""accept(MonteCarloMover self)"""
1805 return _IMP_core.MonteCarloMover_accept(self)
1807 def get_number_of_proposed(self):
1808 r"""get_number_of_proposed(MonteCarloMover self) -> unsigned int"""
1809 return _IMP_core.MonteCarloMover_get_number_of_proposed(self)
1811 def get_number_of_accepted(self):
1812 r"""get_number_of_accepted(MonteCarloMover self) -> unsigned int"""
1813 return _IMP_core.MonteCarloMover_get_number_of_accepted(self)
1815 def reset_statistics(self):
1816 r"""reset_statistics(MonteCarloMover self)"""
1817 return _IMP_core.MonteCarloMover_reset_statistics(self)
1819 def add_to_statistics(self, num_proposed, num_rejected):
1820 r"""add_to_statistics(MonteCarloMover self, unsigned int num_proposed, unsigned int num_rejected)"""
1821 return _IMP_core.MonteCarloMover_add_to_statistics(self, num_proposed, num_rejected)
1823 def do_propose(self):
1824 r"""do_propose(MonteCarloMover self) -> MonteCarloMoverResult"""
1825 return _IMP_core.MonteCarloMover_do_propose(self)
1827 def do_reject(self):
1828 r"""do_reject(MonteCarloMover self)"""
1829 return _IMP_core.MonteCarloMover_do_reject(self)
1831 def do_accept(self):
1832 r"""do_accept(MonteCarloMover self)"""
1833 return _IMP_core.MonteCarloMover_do_accept(self)
1835 def do_get_outputs(self):
1836 r"""do_get_outputs(MonteCarloMover self) -> IMP::ModelObjectsTemp"""
1837 return _IMP_core.MonteCarloMover_do_get_outputs(self)
1840 r"""__str__(MonteCarloMover self) -> std::string"""
1841 return _IMP_core.MonteCarloMover___str__(self)
1844 r"""__repr__(MonteCarloMover self) -> std::string"""
1845 return _IMP_core.MonteCarloMover___repr__(self)
1849 return _object_cast_to_MonteCarloMover(o)
1852 def do_show(self, out):
1857 return _object_cast_to_MonteCarloMover(o)
1861 """Return a JAX implementation of this mover.
1862 Implement this method in a MonteCarloMover subclass to provide
1863 equivalent functionality using [JAX](https://docs.jax.dev/).
1864 See _wrap_jax for more information.
1866 raise NotImplementedError(f
"No JAX implementation for {self}")
1868 def _wrap_jax(self, init_func, propose_func, accept_func=None,
1869 sync_func=
None, keys=
None):
1870 """Create the return value for _get_jax.
1871 Use this method in _get_jax() to wrap the JAX functions
1872 with other mover-specific information.
1874 @param init_func a JAX function which is used to initialize this
1875 mover. It is called with a single argument, a fresh JAX
1876 random key, and should return a persistent state object.
1877 This object may be the key itself, or any other Python object
1878 that JAX understands.
1879 @param propose_func a JAX function which is called with the current
1880 JAX Model and the mover's persistent state object.
1881 It should return a new JAX Model with the move applied,
1882 a new persistent state, and the proposal ratio. If the move
1883 is rejected then the new JAX Model will be discarded.
1884 However, the mover's persistent state is updated for both
1885 accepted and rejected moves.
1886 @param accept_func if provided, a JAX function which is called
1887 after each accepted Monte Carlo move, with the persistent
1888 state object. It should return a new persistent state.
1889 @param sync_func If provided, a Python function which is called
1890 at the end of a Monte Carlo sampling run to sync mover
1891 data back to IMP. It is called with the persistent state
1892 and the IMP Mover object.
1893 @param keys If given, a set of IMP::Key objects describing Model
1894 attributes (other than xyz and radius) that are altered
1897 from IMP.core._jax_util
import JAXMoverInfo
1898 return JAXMoverInfo(init_func, propose_func, accept_func, sync_func,
1901 __swig_destroy__ = _IMP_core.delete_MonteCarloMover
1902 def __disown__(self):
1904 _IMP_core.disown_MonteCarloMover(self)
1905 return weakref.proxy(self)
1907 def do_destroy(self):
1908 r"""do_destroy(MonteCarloMover self)"""
1909 return _IMP_core.MonteCarloMover_do_destroy(self)
1911 def handle_set_has_required_score_states(self, arg0):
1912 r"""handle_set_has_required_score_states(MonteCarloMover self, bool arg0)"""
1913 return _IMP_core.MonteCarloMover_handle_set_has_required_score_states(self, arg0)
1915 def do_get_inputs(self):
1916 r"""do_get_inputs(MonteCarloMover self) -> IMP::ModelObjectsTemp"""
1917 return _IMP_core.MonteCarloMover_do_get_inputs(self)
1919 def do_get_interactions(self):
1920 r"""do_get_interactions(MonteCarloMover self) -> IMP::ModelObjectsTemps"""
1921 return _IMP_core.MonteCarloMover_do_get_interactions(self)
1924 _IMP_core.MonteCarloMover_swigregister(MonteCarloMover)
1926 r"""Proxy of C++ IMP::core::XYZ class."""
1928 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1931 def get_coordinate_key(i):
1932 r"""get_coordinate_key(unsigned int i) -> FloatKey"""
1933 return _IMP_core.XYZ_get_coordinate_key(i)
1935 def __init__(self, *args):
1937 __init__(XYZ self) -> XYZ
1938 __init__(XYZ self, Model m, ParticleIndex id) -> XYZ
1939 __init__(XYZ self, _ParticleAdaptor d) -> XYZ
1941 _IMP_core.XYZ_swiginit(self, _IMP_core.new_XYZ(*args))
1943 def show(self, *args):
1944 r"""show(XYZ self, _ostream out=std::cout)"""
1945 return _IMP_core.XYZ_show(self, *args)
1948 def setup_particle(*args):
1950 setup_particle(Model m, ParticleIndex pi) -> XYZ
1951 setup_particle(_ParticleAdaptor pa) -> XYZ
1952 setup_particle(Model m, ParticleIndex pi, Vector3D v) -> XYZ
1953 setup_particle(_ParticleAdaptor pa, Vector3D v) -> XYZ
1955 return _IMP_core.XYZ_setup_particle(*args)
1958 r"""get_x(XYZ self) -> IMP::Float"""
1959 return _IMP_core.XYZ_get_x(self)
1962 r"""set_x(XYZ self, IMP::Float t)"""
1963 return _IMP_core.XYZ_set_x(self, t)
1966 r"""get_y(XYZ self) -> IMP::Float"""
1967 return _IMP_core.XYZ_get_y(self)
1970 r"""set_y(XYZ self, IMP::Float t)"""
1971 return _IMP_core.XYZ_set_y(self, t)
1974 r"""get_z(XYZ self) -> IMP::Float"""
1975 return _IMP_core.XYZ_get_z(self)
1978 r"""set_z(XYZ self, IMP::Float t)"""
1979 return _IMP_core.XYZ_set_z(self, t)
1981 def set_coordinate(self, i, v):
1982 r"""set_coordinate(XYZ self, unsigned int i, IMP::Float v)"""
1983 return _IMP_core.XYZ_set_coordinate(self, i, v)
1985 def set_coordinates(self, v):
1986 r"""set_coordinates(XYZ self, Vector3D v)"""
1987 return _IMP_core.XYZ_set_coordinates(self, v)
1989 def get_coordinate(self, i):
1990 r"""get_coordinate(XYZ self, int i) -> IMP::Float"""
1991 return _IMP_core.XYZ_get_coordinate(self, i)
1993 def add_to_derivatives(self, v, d):
1994 r"""add_to_derivatives(XYZ self, Vector3D v, DerivativeAccumulator d)"""
1995 return _IMP_core.XYZ_add_to_derivatives(self, v, d)
1997 def get_coordinates_are_optimized(self):
1998 r"""get_coordinates_are_optimized(XYZ self) -> bool"""
1999 return _IMP_core.XYZ_get_coordinates_are_optimized(self)
2001 def set_coordinates_are_optimized(self, tf):
2002 r"""set_coordinates_are_optimized(XYZ self, bool tf)"""
2003 return _IMP_core.XYZ_set_coordinates_are_optimized(self, tf)
2005 def get_vector_to(self, b):
2006 r"""get_vector_to(XYZ self, XYZ b) -> Vector3D"""
2007 return _IMP_core.XYZ_get_vector_to(self, b)
2009 def get_coordinates(self):
2010 r"""get_coordinates(XYZ self) -> Vector3D"""
2011 return _IMP_core.XYZ_get_coordinates(self)
2013 def get_derivatives(self):
2014 r"""get_derivatives(XYZ self) -> Vector3D"""
2015 return _IMP_core.XYZ_get_derivatives(self)
2018 def get_is_setup(*args):
2020 get_is_setup(_ParticleAdaptor p) -> bool
2021 get_is_setup(Model m, ParticleIndex pi) -> bool
2023 return _IMP_core.XYZ_get_is_setup(*args)
2027 r"""get_xyz_keys() -> IMP::FloatKeys const &"""
2028 return _IMP_core.XYZ_get_xyz_keys()
2030 def add_attribute(self, *args):
2032 add_attribute(XYZ self, FloatKey k, IMP::Float v, bool opt)
2033 add_attribute(XYZ self, FloatKey a0, IMP::Float a1)
2034 add_attribute(XYZ self, IntKey a0, IMP::Int a1)
2035 add_attribute(XYZ self, FloatsKey a0, IMP::Floats a1)
2036 add_attribute(XYZ self, IntsKey a0, IMP::Ints a1)
2037 add_attribute(XYZ self, StringKey a0, IMP::String a1)
2038 add_attribute(XYZ self, ParticleIndexKey a0, Particle a1)
2039 add_attribute(XYZ self, ObjectKey a0, Object a1)
2040 add_attribute(XYZ self, SparseFloatKey a0, IMP::Float a1)
2041 add_attribute(XYZ self, SparseIntKey a0, IMP::Int a1)
2042 add_attribute(XYZ self, SparseStringKey a0, IMP::String a1)
2043 add_attribute(XYZ self, SparseParticleIndexKey a0, ParticleIndex a1)
2045 return _IMP_core.XYZ_add_attribute(self, *args)
2047 def get_value(self, *args):
2049 get_value(XYZ self, FloatKey a0) -> IMP::Float
2050 get_value(XYZ self, IntKey a0) -> IMP::Int
2051 get_value(XYZ self, FloatsKey a0) -> IMP::Floats
2052 get_value(XYZ self, IntsKey a0) -> IMP::Ints
2053 get_value(XYZ self, StringKey a0) -> IMP::String
2054 get_value(XYZ self, ParticleIndexKey a0) -> Particle
2055 get_value(XYZ self, ObjectKey a0) -> Object
2056 get_value(XYZ self, SparseFloatKey a0) -> IMP::Float
2057 get_value(XYZ self, SparseIntKey a0) -> IMP::Int
2058 get_value(XYZ self, SparseStringKey a0) -> IMP::String
2059 get_value(XYZ self, SparseParticleIndexKey a0) -> ParticleIndex
2061 return _IMP_core.XYZ_get_value(self, *args)
2063 def set_value(self, *args):
2065 set_value(XYZ self, FloatKey a0, IMP::Float a1)
2066 set_value(XYZ self, IntKey a0, IMP::Int a1)
2067 set_value(XYZ self, FloatsKey a0, IMP::Floats a1)
2068 set_value(XYZ self, IntsKey a0, IMP::Ints a1)
2069 set_value(XYZ self, StringKey a0, IMP::String a1)
2070 set_value(XYZ self, ParticleIndexKey a0, Particle a1)
2071 set_value(XYZ self, ObjectKey a0, Object a1)
2072 set_value(XYZ self, SparseFloatKey a0, IMP::Float a1)
2073 set_value(XYZ self, SparseIntKey a0, IMP::Int a1)
2074 set_value(XYZ self, SparseStringKey a0, IMP::String a1)
2075 set_value(XYZ self, SparseParticleIndexKey a0, ParticleIndex a1)
2077 return _IMP_core.XYZ_set_value(self, *args)
2079 def remove_attribute(self, *args):
2081 remove_attribute(XYZ self, FloatKey a0)
2082 remove_attribute(XYZ self, IntKey a0)
2083 remove_attribute(XYZ self, FloatsKey a0)
2084 remove_attribute(XYZ self, IntsKey a0)
2085 remove_attribute(XYZ self, StringKey a0)
2086 remove_attribute(XYZ self, ParticleIndexKey a0)
2087 remove_attribute(XYZ self, ObjectKey a0)
2088 remove_attribute(XYZ self, SparseFloatKey a0)
2089 remove_attribute(XYZ self, SparseIntKey a0)
2090 remove_attribute(XYZ self, SparseStringKey a0)
2091 remove_attribute(XYZ self, SparseParticleIndexKey a0)
2093 return _IMP_core.XYZ_remove_attribute(self, *args)
2095 def has_attribute(self, *args):
2097 has_attribute(XYZ self, FloatKey a0) -> bool
2098 has_attribute(XYZ self, IntKey a0) -> bool
2099 has_attribute(XYZ self, FloatsKey a0) -> bool
2100 has_attribute(XYZ self, IntsKey a0) -> bool
2101 has_attribute(XYZ self, StringKey a0) -> bool
2102 has_attribute(XYZ self, ParticleIndexKey a0) -> bool
2103 has_attribute(XYZ self, ObjectKey a0) -> bool
2104 has_attribute(XYZ self, SparseFloatKey a0) -> bool
2105 has_attribute(XYZ self, SparseIntKey a0) -> bool
2106 has_attribute(XYZ self, SparseStringKey a0) -> bool
2107 has_attribute(XYZ self, SparseParticleIndexKey a0) -> bool
2109 return _IMP_core.XYZ_has_attribute(self, *args)
2111 def get_derivative(self, *args):
2113 get_derivative(XYZ self, int i) -> IMP::Float
2114 get_derivative(XYZ self, FloatKey a0) -> double
2116 return _IMP_core.XYZ_get_derivative(self, *args)
2119 r"""get_name(XYZ self) -> std::string"""
2120 return _IMP_core.XYZ_get_name(self)
2122 def clear_caches(self):
2123 r"""clear_caches(XYZ self)"""
2124 return _IMP_core.XYZ_clear_caches(self)
2126 def set_name(self, a0):
2127 r"""set_name(XYZ self, std::string a0)"""
2128 return _IMP_core.XYZ_set_name(self, a0)
2131 r"""set_check_level(XYZ self, IMP::CheckLevel a0)"""
2132 return _IMP_core.XYZ_set_check_level(self, a0)
2134 def add_to_derivative(self, *args):
2136 add_to_derivative(XYZ self, int i, IMP::Float v, DerivativeAccumulator d)
2137 add_to_derivative(XYZ self, FloatKey a0, double a1, DerivativeAccumulator a2)
2139 return _IMP_core.XYZ_add_to_derivative(self, *args)
2141 def set_is_optimized(self, a0, a1):
2142 r"""set_is_optimized(XYZ self, FloatKey a0, bool a1)"""
2143 return _IMP_core.XYZ_set_is_optimized(self, a0, a1)
2145 def get_is_optimized(self, a0):
2146 r"""get_is_optimized(XYZ self, FloatKey a0) -> bool"""
2147 return _IMP_core.XYZ_get_is_optimized(self, a0)
2150 r"""get_check_level(XYZ self) -> IMP::CheckLevel"""
2151 return _IMP_core.XYZ_get_check_level(self)
2153 def __eq__(self, *args):
2155 __eq__(XYZ self, XYZ o) -> bool
2156 __eq__(XYZ self, Particle d) -> bool
2158 return _IMP_core.XYZ___eq__(self, *args)
2160 def __ne__(self, *args):
2162 __ne__(XYZ self, XYZ o) -> bool
2163 __ne__(XYZ self, Particle d) -> bool
2165 return _IMP_core.XYZ___ne__(self, *args)
2167 def __le__(self, *args):
2169 __le__(XYZ self, XYZ o) -> bool
2170 __le__(XYZ self, Particle d) -> bool
2172 return _IMP_core.XYZ___le__(self, *args)
2174 def __lt__(self, *args):
2176 __lt__(XYZ self, XYZ o) -> bool
2177 __lt__(XYZ self, Particle d) -> bool
2179 return _IMP_core.XYZ___lt__(self, *args)
2181 def __ge__(self, *args):
2183 __ge__(XYZ self, XYZ o) -> bool
2184 __ge__(XYZ self, Particle d) -> bool
2186 return _IMP_core.XYZ___ge__(self, *args)
2188 def __gt__(self, *args):
2190 __gt__(XYZ self, XYZ o) -> bool
2191 __gt__(XYZ self, Particle d) -> bool
2193 return _IMP_core.XYZ___gt__(self, *args)
2196 r"""__hash__(XYZ self) -> std::size_t"""
2197 return _IMP_core.XYZ___hash__(self)
2200 r"""__str__(XYZ self) -> std::string"""
2201 return _IMP_core.XYZ___str__(self)
2204 r"""__repr__(XYZ self) -> std::string"""
2205 return _IMP_core.XYZ___repr__(self)
2207 def _get_as_binary(self):
2208 r"""_get_as_binary(XYZ self) -> PyObject *"""
2209 return _IMP_core.XYZ__get_as_binary(self)
2211 def _set_from_binary(self, p):
2212 r"""_set_from_binary(XYZ self, PyObject * p)"""
2213 return _IMP_core.XYZ__set_from_binary(self, p)
2215 def __getstate__(self):
2216 p = self._get_as_binary()
2217 if len(self.__dict__) > 1:
2218 d = self.__dict__.copy()
2223 def __setstate__(self, p):
2224 if not hasattr(self,
'this'):
2226 if isinstance(p, tuple):
2228 self.__dict__.update(d)
2229 return self._set_from_binary(p)
2231 __swig_destroy__ = _IMP_core.delete_XYZ
2234 _IMP_core.XYZ_swigregister(XYZ)
2237 r"""set_vector_geometry(XYZ d, Vector3D v)"""
2238 return _IMP_core.set_vector_geometry(d, v)
2241 r"""get_vector_geometry(XYZ d) -> Vector3D"""
2242 return _IMP_core.get_vector_geometry(d)
2245 r"""get_dihedral(XYZ a, XYZ b, XYZ c, XYZ d) -> double"""
2246 return _IMP_core.get_dihedral(a, b, c, d)
2248 r"""Proxy of C++ IMP::core::XYZR class."""
2250 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2252 def __init__(self, *args):
2254 __init__(XYZR self) -> XYZR
2255 __init__(XYZR self, Model m, ParticleIndex id) -> XYZR
2256 __init__(XYZR self, _ParticleAdaptor d) -> XYZR
2258 _IMP_core.XYZR_swiginit(self, _IMP_core.new_XYZR(*args))
2260 def show(self, *args):
2261 r"""show(XYZR self, _ostream out=std::cout)"""
2262 return _IMP_core.XYZR_show(self, *args)
2265 def setup_particle(*args):
2267 setup_particle(Model m, ParticleIndex pi) -> XYZR
2268 setup_particle(_ParticleAdaptor pa) -> XYZR
2269 setup_particle(Model m, ParticleIndex pi, IMP::Float radius) -> XYZR
2270 setup_particle(_ParticleAdaptor pa, IMP::Float radius) -> XYZR
2271 setup_particle(Model m, ParticleIndex pi, Sphere3D ball) -> XYZR
2272 setup_particle(_ParticleAdaptor pa, Sphere3D ball) -> XYZR
2274 return _IMP_core.XYZR_setup_particle(*args)
2277 def get_is_setup(*args):
2279 get_is_setup(_ParticleAdaptor p) -> bool
2280 get_is_setup(Model m, ParticleIndex pi) -> bool
2282 return _IMP_core.XYZR_get_is_setup(*args)
2284 def get_radius(self):
2285 r"""get_radius(XYZR self) -> double"""
2286 return _IMP_core.XYZR_get_radius(self)
2288 def set_radius(self, r):
2289 r"""set_radius(XYZR self, double r)"""
2290 return _IMP_core.XYZR_set_radius(self, r)
2292 def get_sphere(self):
2293 r"""get_sphere(XYZR self) -> Sphere3D"""
2294 return _IMP_core.XYZR_get_sphere(self)
2296 def set_sphere(self, s):
2297 r"""set_sphere(XYZR self, Sphere3D s)"""
2298 return _IMP_core.XYZR_set_sphere(self, s)
2301 def get_radius_key():
2302 r"""get_radius_key() -> FloatKey"""
2303 return _IMP_core.XYZR_get_radius_key()
2305 def add_to_radius_derivative(self, v, d):
2306 r"""add_to_radius_derivative(XYZR self, double v, DerivativeAccumulator d)"""
2307 return _IMP_core.XYZR_add_to_radius_derivative(self, v, d)
2309 def add_attribute(self, *args):
2311 add_attribute(XYZR self, FloatKey k, IMP::Float v, bool opt)
2312 add_attribute(XYZR self, FloatKey a0, IMP::Float a1)
2313 add_attribute(XYZR self, IntKey a0, IMP::Int a1)
2314 add_attribute(XYZR self, FloatsKey a0, IMP::Floats a1)
2315 add_attribute(XYZR self, IntsKey a0, IMP::Ints a1)
2316 add_attribute(XYZR self, StringKey a0, IMP::String a1)
2317 add_attribute(XYZR self, ParticleIndexKey a0, Particle a1)
2318 add_attribute(XYZR self, ObjectKey a0, Object a1)
2319 add_attribute(XYZR self, SparseFloatKey a0, IMP::Float a1)
2320 add_attribute(XYZR self, SparseIntKey a0, IMP::Int a1)
2321 add_attribute(XYZR self, SparseStringKey a0, IMP::String a1)
2322 add_attribute(XYZR self, SparseParticleIndexKey a0, ParticleIndex a1)
2324 return _IMP_core.XYZR_add_attribute(self, *args)
2326 def get_value(self, *args):
2328 get_value(XYZR self, FloatKey a0) -> IMP::Float
2329 get_value(XYZR self, IntKey a0) -> IMP::Int
2330 get_value(XYZR self, FloatsKey a0) -> IMP::Floats
2331 get_value(XYZR self, IntsKey a0) -> IMP::Ints
2332 get_value(XYZR self, StringKey a0) -> IMP::String
2333 get_value(XYZR self, ParticleIndexKey a0) -> Particle
2334 get_value(XYZR self, ObjectKey a0) -> Object
2335 get_value(XYZR self, SparseFloatKey a0) -> IMP::Float
2336 get_value(XYZR self, SparseIntKey a0) -> IMP::Int
2337 get_value(XYZR self, SparseStringKey a0) -> IMP::String
2338 get_value(XYZR self, SparseParticleIndexKey a0) -> ParticleIndex
2340 return _IMP_core.XYZR_get_value(self, *args)
2342 def set_value(self, *args):
2344 set_value(XYZR self, FloatKey a0, IMP::Float a1)
2345 set_value(XYZR self, IntKey a0, IMP::Int a1)
2346 set_value(XYZR self, FloatsKey a0, IMP::Floats a1)
2347 set_value(XYZR self, IntsKey a0, IMP::Ints a1)
2348 set_value(XYZR self, StringKey a0, IMP::String a1)
2349 set_value(XYZR self, ParticleIndexKey a0, Particle a1)
2350 set_value(XYZR self, ObjectKey a0, Object a1)
2351 set_value(XYZR self, SparseFloatKey a0, IMP::Float a1)
2352 set_value(XYZR self, SparseIntKey a0, IMP::Int a1)
2353 set_value(XYZR self, SparseStringKey a0, IMP::String a1)
2354 set_value(XYZR self, SparseParticleIndexKey a0, ParticleIndex a1)
2356 return _IMP_core.XYZR_set_value(self, *args)
2358 def remove_attribute(self, *args):
2360 remove_attribute(XYZR self, FloatKey a0)
2361 remove_attribute(XYZR self, IntKey a0)
2362 remove_attribute(XYZR self, FloatsKey a0)
2363 remove_attribute(XYZR self, IntsKey a0)
2364 remove_attribute(XYZR self, StringKey a0)
2365 remove_attribute(XYZR self, ParticleIndexKey a0)
2366 remove_attribute(XYZR self, ObjectKey a0)
2367 remove_attribute(XYZR self, SparseFloatKey a0)
2368 remove_attribute(XYZR self, SparseIntKey a0)
2369 remove_attribute(XYZR self, SparseStringKey a0)
2370 remove_attribute(XYZR self, SparseParticleIndexKey a0)
2372 return _IMP_core.XYZR_remove_attribute(self, *args)
2374 def has_attribute(self, *args):
2376 has_attribute(XYZR self, FloatKey a0) -> bool
2377 has_attribute(XYZR self, IntKey a0) -> bool
2378 has_attribute(XYZR self, FloatsKey a0) -> bool
2379 has_attribute(XYZR self, IntsKey a0) -> bool
2380 has_attribute(XYZR self, StringKey a0) -> bool
2381 has_attribute(XYZR self, ParticleIndexKey a0) -> bool
2382 has_attribute(XYZR self, ObjectKey a0) -> bool
2383 has_attribute(XYZR self, SparseFloatKey a0) -> bool
2384 has_attribute(XYZR self, SparseIntKey a0) -> bool
2385 has_attribute(XYZR self, SparseStringKey a0) -> bool
2386 has_attribute(XYZR self, SparseParticleIndexKey a0) -> bool
2388 return _IMP_core.XYZR_has_attribute(self, *args)
2390 def get_derivative(self, a0):
2391 r"""get_derivative(XYZR self, FloatKey a0) -> double"""
2392 return _IMP_core.XYZR_get_derivative(self, a0)
2395 r"""get_name(XYZR self) -> std::string"""
2396 return _IMP_core.XYZR_get_name(self)
2398 def clear_caches(self):
2399 r"""clear_caches(XYZR self)"""
2400 return _IMP_core.XYZR_clear_caches(self)
2402 def set_name(self, a0):
2403 r"""set_name(XYZR self, std::string a0)"""
2404 return _IMP_core.XYZR_set_name(self, a0)
2407 r"""set_check_level(XYZR self, IMP::CheckLevel a0)"""
2408 return _IMP_core.XYZR_set_check_level(self, a0)
2410 def add_to_derivative(self, a0, a1, a2):
2411 r"""add_to_derivative(XYZR self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2412 return _IMP_core.XYZR_add_to_derivative(self, a0, a1, a2)
2414 def set_is_optimized(self, a0, a1):
2415 r"""set_is_optimized(XYZR self, FloatKey a0, bool a1)"""
2416 return _IMP_core.XYZR_set_is_optimized(self, a0, a1)
2418 def get_is_optimized(self, a0):
2419 r"""get_is_optimized(XYZR self, FloatKey a0) -> bool"""
2420 return _IMP_core.XYZR_get_is_optimized(self, a0)
2423 r"""get_check_level(XYZR self) -> IMP::CheckLevel"""
2424 return _IMP_core.XYZR_get_check_level(self)
2426 def __eq__(self, *args):
2428 __eq__(XYZR self, XYZR o) -> bool
2429 __eq__(XYZR self, Particle d) -> bool
2431 return _IMP_core.XYZR___eq__(self, *args)
2433 def __ne__(self, *args):
2435 __ne__(XYZR self, XYZR o) -> bool
2436 __ne__(XYZR self, Particle d) -> bool
2438 return _IMP_core.XYZR___ne__(self, *args)
2440 def __le__(self, *args):
2442 __le__(XYZR self, XYZR o) -> bool
2443 __le__(XYZR self, Particle d) -> bool
2445 return _IMP_core.XYZR___le__(self, *args)
2447 def __lt__(self, *args):
2449 __lt__(XYZR self, XYZR o) -> bool
2450 __lt__(XYZR self, Particle d) -> bool
2452 return _IMP_core.XYZR___lt__(self, *args)
2454 def __ge__(self, *args):
2456 __ge__(XYZR self, XYZR o) -> bool
2457 __ge__(XYZR self, Particle d) -> bool
2459 return _IMP_core.XYZR___ge__(self, *args)
2461 def __gt__(self, *args):
2463 __gt__(XYZR self, XYZR o) -> bool
2464 __gt__(XYZR self, Particle d) -> bool
2466 return _IMP_core.XYZR___gt__(self, *args)
2469 r"""__hash__(XYZR self) -> std::size_t"""
2470 return _IMP_core.XYZR___hash__(self)
2473 r"""__str__(XYZR self) -> std::string"""
2474 return _IMP_core.XYZR___str__(self)
2477 r"""__repr__(XYZR self) -> std::string"""
2478 return _IMP_core.XYZR___repr__(self)
2480 def _get_as_binary(self):
2481 r"""_get_as_binary(XYZR self) -> PyObject *"""
2482 return _IMP_core.XYZR__get_as_binary(self)
2484 def _set_from_binary(self, p):
2485 r"""_set_from_binary(XYZR self, PyObject * p)"""
2486 return _IMP_core.XYZR__set_from_binary(self, p)
2488 def __getstate__(self):
2489 p = self._get_as_binary()
2490 if len(self.__dict__) > 1:
2491 d = self.__dict__.copy()
2496 def __setstate__(self, p):
2497 if not hasattr(self,
'this'):
2499 if isinstance(p, tuple):
2501 self.__dict__.update(d)
2502 return self._set_from_binary(p)
2504 __swig_destroy__ = _IMP_core.delete_XYZR
2507 _IMP_core.XYZR_swigregister(XYZR)
2510 r"""set_enclosing_sphere(XYZR b, IMP::core::XYZs const & v, double slack=0)"""
2511 return _IMP_core.set_enclosing_sphere(b, v, slack)
2514 r"""set_enclosing_radius(XYZR b, IMP::core::XYZs const & v)"""
2515 return _IMP_core.set_enclosing_radius(b, v)
2518 r"""get_enclosing_sphere(IMP::core::XYZs const & v) -> Sphere3D"""
2519 return _IMP_core.get_enclosing_sphere(v)
2522 r"""create_xyzr_particles(Model m, unsigned int num, IMP::Float radius, IMP::Float box_side=10) -> IMP::core::XYZRs"""
2523 return _IMP_core.create_xyzr_particles(m, num, radius, box_side)
2525 r"""Proxy of C++ IMP::core::XYZRGeometry class."""
2527 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2529 def __init__(self, *args):
2531 __init__(XYZRGeometry self, Particle p) -> XYZRGeometry
2532 __init__(XYZRGeometry self, XYZR d) -> XYZRGeometry
2534 _IMP_core.XYZRGeometry_swiginit(self, _IMP_core.new_XYZRGeometry(*args))
2536 def get_version_info(self):
2537 r"""get_version_info(XYZRGeometry self) -> VersionInfo"""
2538 return _IMP_core.XYZRGeometry_get_version_info(self)
2539 __swig_destroy__ = _IMP_core.delete_XYZRGeometry
2542 r"""__str__(XYZRGeometry self) -> std::string"""
2543 return _IMP_core.XYZRGeometry___str__(self)
2546 r"""__repr__(XYZRGeometry self) -> std::string"""
2547 return _IMP_core.XYZRGeometry___repr__(self)
2551 return _object_cast_to_XYZRGeometry(o)
2555 _IMP_core.XYZRGeometry_swigregister(XYZRGeometry)
2557 r"""Proxy of C++ IMP::core::XYZRsGeometry class."""
2559 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2561 def __init__(self, sc):
2562 r"""__init__(XYZRsGeometry self, SingletonContainer sc) -> XYZRsGeometry"""
2563 _IMP_core.XYZRsGeometry_swiginit(self, _IMP_core.new_XYZRsGeometry(sc))
2565 def get_version_info(self):
2566 r"""get_version_info(XYZRsGeometry self) -> VersionInfo"""
2567 return _IMP_core.XYZRsGeometry_get_version_info(self)
2568 __swig_destroy__ = _IMP_core.delete_XYZRsGeometry
2571 r"""__str__(XYZRsGeometry self) -> std::string"""
2572 return _IMP_core.XYZRsGeometry___str__(self)
2575 r"""__repr__(XYZRsGeometry self) -> std::string"""
2576 return _IMP_core.XYZRsGeometry___repr__(self)
2580 return _object_cast_to_XYZRsGeometry(o)
2584 _IMP_core.XYZRsGeometry_swigregister(XYZRsGeometry)
2586 r"""Proxy of C++ IMP::core::XYZDerivativeGeometry class."""
2588 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2590 def __init__(self, *args):
2592 __init__(XYZDerivativeGeometry self, Particle p) -> XYZDerivativeGeometry
2593 __init__(XYZDerivativeGeometry self, XYZ d) -> XYZDerivativeGeometry
2595 _IMP_core.XYZDerivativeGeometry_swiginit(self, _IMP_core.new_XYZDerivativeGeometry(*args))
2597 def get_version_info(self):
2598 r"""get_version_info(XYZDerivativeGeometry self) -> VersionInfo"""
2599 return _IMP_core.XYZDerivativeGeometry_get_version_info(self)
2600 __swig_destroy__ = _IMP_core.delete_XYZDerivativeGeometry
2603 r"""__str__(XYZDerivativeGeometry self) -> std::string"""
2604 return _IMP_core.XYZDerivativeGeometry___str__(self)
2607 r"""__repr__(XYZDerivativeGeometry self) -> std::string"""
2608 return _IMP_core.XYZDerivativeGeometry___repr__(self)
2612 return _object_cast_to_XYZDerivativeGeometry(o)
2616 _IMP_core.XYZDerivativeGeometry_swigregister(XYZDerivativeGeometry)
2618 r"""Proxy of C++ IMP::core::XYZDerivativesGeometry class."""
2620 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2622 def __init__(self, sc):
2623 r"""__init__(XYZDerivativesGeometry self, SingletonContainer sc) -> XYZDerivativesGeometry"""
2624 _IMP_core.XYZDerivativesGeometry_swiginit(self, _IMP_core.new_XYZDerivativesGeometry(sc))
2626 def get_version_info(self):
2627 r"""get_version_info(XYZDerivativesGeometry self) -> VersionInfo"""
2628 return _IMP_core.XYZDerivativesGeometry_get_version_info(self)
2629 __swig_destroy__ = _IMP_core.delete_XYZDerivativesGeometry
2632 r"""__str__(XYZDerivativesGeometry self) -> std::string"""
2633 return _IMP_core.XYZDerivativesGeometry___str__(self)
2636 r"""__repr__(XYZDerivativesGeometry self) -> std::string"""
2637 return _IMP_core.XYZDerivativesGeometry___repr__(self)
2641 return _object_cast_to_XYZDerivativesGeometry(o)
2645 _IMP_core.XYZDerivativesGeometry_swigregister(XYZDerivativesGeometry)
2647 r"""Proxy of C++ IMP::core::EdgePairGeometry class."""
2649 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2651 def __init__(self, pp):
2652 r"""__init__(EdgePairGeometry self, IMP::ParticlePair const & pp) -> EdgePairGeometry"""
2653 _IMP_core.EdgePairGeometry_swiginit(self, _IMP_core.new_EdgePairGeometry(pp))
2655 def get_version_info(self):
2656 r"""get_version_info(EdgePairGeometry self) -> VersionInfo"""
2657 return _IMP_core.EdgePairGeometry_get_version_info(self)
2658 __swig_destroy__ = _IMP_core.delete_EdgePairGeometry
2661 r"""__str__(EdgePairGeometry self) -> std::string"""
2662 return _IMP_core.EdgePairGeometry___str__(self)
2665 r"""__repr__(EdgePairGeometry self) -> std::string"""
2666 return _IMP_core.EdgePairGeometry___repr__(self)
2670 return _object_cast_to_EdgePairGeometry(o)
2674 _IMP_core.EdgePairGeometry_swigregister(EdgePairGeometry)
2676 r"""Proxy of C++ IMP::core::EdgePairsGeometry class."""
2678 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2680 def __init__(self, sc):
2681 r"""__init__(EdgePairsGeometry self, PairContainer sc) -> EdgePairsGeometry"""
2682 _IMP_core.EdgePairsGeometry_swiginit(self, _IMP_core.new_EdgePairsGeometry(sc))
2684 def get_version_info(self):
2685 r"""get_version_info(EdgePairsGeometry self) -> VersionInfo"""
2686 return _IMP_core.EdgePairsGeometry_get_version_info(self)
2687 __swig_destroy__ = _IMP_core.delete_EdgePairsGeometry
2690 r"""__str__(EdgePairsGeometry self) -> std::string"""
2691 return _IMP_core.EdgePairsGeometry___str__(self)
2694 r"""__repr__(EdgePairsGeometry self) -> std::string"""
2695 return _IMP_core.EdgePairsGeometry___repr__(self)
2699 return _object_cast_to_EdgePairsGeometry(o)
2703 _IMP_core.EdgePairsGeometry_swigregister(EdgePairsGeometry)
2705 r"""Proxy of C++ IMP::core::Direction class."""
2707 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2710 def do_setup_particle(m, pi, v):
2711 r"""do_setup_particle(Model m, ParticleIndex pi, Vector3D v)"""
2712 return _IMP_core.Direction_do_setup_particle(m, pi, v)
2714 def __init__(self, *args):
2716 __init__(Direction self) -> Direction
2717 __init__(Direction self, Model m, ParticleIndex id) -> Direction
2718 __init__(Direction self, _ParticleAdaptor d) -> Direction
2720 _IMP_core.Direction_swiginit(self, _IMP_core.new_Direction(*args))
2722 def show(self, *args):
2723 r"""show(Direction self, _ostream out=std::cout)"""
2724 return _IMP_core.Direction_show(self, *args)
2727 def setup_particle(*args):
2729 setup_particle(Model m, ParticleIndex pi, Vector3D v) -> Direction
2730 setup_particle(_ParticleAdaptor pa, Vector3D v) -> Direction
2732 return _IMP_core.Direction_setup_particle(*args)
2735 def get_is_setup(*args):
2737 get_is_setup(_ParticleAdaptor p) -> bool
2738 get_is_setup(Model m, ParticleIndex pi) -> bool
2740 return _IMP_core.Direction_get_is_setup(*args)
2743 def get_direction_key(i):
2744 r"""get_direction_key(unsigned int i) -> FloatKey"""
2745 return _IMP_core.Direction_get_direction_key(i)
2747 def get_direction_derivative(self, i):
2748 r"""get_direction_derivative(Direction self, int i) -> IMP::Float"""
2749 return _IMP_core.Direction_get_direction_derivative(self, i)
2751 def get_direction_derivatives(self):
2752 r"""get_direction_derivatives(Direction self) -> Vector3D"""
2753 return _IMP_core.Direction_get_direction_derivatives(self)
2755 def add_to_direction_derivative(self, i, v, d):
2756 r"""add_to_direction_derivative(Direction self, int i, IMP::Float v, DerivativeAccumulator d)"""
2757 return _IMP_core.Direction_add_to_direction_derivative(self, i, v, d)
2759 def add_to_direction_derivatives(self, v, d):
2760 r"""add_to_direction_derivatives(Direction self, Vector3D v, DerivativeAccumulator d)"""
2761 return _IMP_core.Direction_add_to_direction_derivatives(self, v, d)
2763 def get_direction_is_optimized(self):
2764 r"""get_direction_is_optimized(Direction self) -> bool"""
2765 return _IMP_core.Direction_get_direction_is_optimized(self)
2767 def set_direction_is_optimized(self, tf):
2768 r"""set_direction_is_optimized(Direction self, bool tf)"""
2769 return _IMP_core.Direction_set_direction_is_optimized(self, tf)
2771 def get_direction(self):
2772 r"""get_direction(Direction self) -> Vector3D"""
2773 return _IMP_core.Direction_get_direction(self)
2775 def set_direction(self, v):
2776 r"""set_direction(Direction self, Vector3D v)"""
2777 return _IMP_core.Direction_set_direction(self, v)
2780 r"""reflect(Direction self)"""
2781 return _IMP_core.Direction_reflect(self)
2783 def add_attribute(self, *args):
2785 add_attribute(Direction self, FloatKey k, IMP::Float v, bool opt)
2786 add_attribute(Direction self, FloatKey a0, IMP::Float a1)
2787 add_attribute(Direction self, IntKey a0, IMP::Int a1)
2788 add_attribute(Direction self, FloatsKey a0, IMP::Floats a1)
2789 add_attribute(Direction self, IntsKey a0, IMP::Ints a1)
2790 add_attribute(Direction self, StringKey a0, IMP::String a1)
2791 add_attribute(Direction self, ParticleIndexKey a0, Particle a1)
2792 add_attribute(Direction self, ObjectKey a0, Object a1)
2793 add_attribute(Direction self, SparseFloatKey a0, IMP::Float a1)
2794 add_attribute(Direction self, SparseIntKey a0, IMP::Int a1)
2795 add_attribute(Direction self, SparseStringKey a0, IMP::String a1)
2796 add_attribute(Direction self, SparseParticleIndexKey a0, ParticleIndex a1)
2798 return _IMP_core.Direction_add_attribute(self, *args)
2800 def get_value(self, *args):
2802 get_value(Direction self, FloatKey a0) -> IMP::Float
2803 get_value(Direction self, IntKey a0) -> IMP::Int
2804 get_value(Direction self, FloatsKey a0) -> IMP::Floats
2805 get_value(Direction self, IntsKey a0) -> IMP::Ints
2806 get_value(Direction self, StringKey a0) -> IMP::String
2807 get_value(Direction self, ParticleIndexKey a0) -> Particle
2808 get_value(Direction self, ObjectKey a0) -> Object
2809 get_value(Direction self, SparseFloatKey a0) -> IMP::Float
2810 get_value(Direction self, SparseIntKey a0) -> IMP::Int
2811 get_value(Direction self, SparseStringKey a0) -> IMP::String
2812 get_value(Direction self, SparseParticleIndexKey a0) -> ParticleIndex
2814 return _IMP_core.Direction_get_value(self, *args)
2816 def set_value(self, *args):
2818 set_value(Direction self, FloatKey a0, IMP::Float a1)
2819 set_value(Direction self, IntKey a0, IMP::Int a1)
2820 set_value(Direction self, FloatsKey a0, IMP::Floats a1)
2821 set_value(Direction self, IntsKey a0, IMP::Ints a1)
2822 set_value(Direction self, StringKey a0, IMP::String a1)
2823 set_value(Direction self, ParticleIndexKey a0, Particle a1)
2824 set_value(Direction self, ObjectKey a0, Object a1)
2825 set_value(Direction self, SparseFloatKey a0, IMP::Float a1)
2826 set_value(Direction self, SparseIntKey a0, IMP::Int a1)
2827 set_value(Direction self, SparseStringKey a0, IMP::String a1)
2828 set_value(Direction self, SparseParticleIndexKey a0, ParticleIndex a1)
2830 return _IMP_core.Direction_set_value(self, *args)
2832 def remove_attribute(self, *args):
2834 remove_attribute(Direction self, FloatKey a0)
2835 remove_attribute(Direction self, IntKey a0)
2836 remove_attribute(Direction self, FloatsKey a0)
2837 remove_attribute(Direction self, IntsKey a0)
2838 remove_attribute(Direction self, StringKey a0)
2839 remove_attribute(Direction self, ParticleIndexKey a0)
2840 remove_attribute(Direction self, ObjectKey a0)
2841 remove_attribute(Direction self, SparseFloatKey a0)
2842 remove_attribute(Direction self, SparseIntKey a0)
2843 remove_attribute(Direction self, SparseStringKey a0)
2844 remove_attribute(Direction self, SparseParticleIndexKey a0)
2846 return _IMP_core.Direction_remove_attribute(self, *args)
2848 def has_attribute(self, *args):
2850 has_attribute(Direction self, FloatKey a0) -> bool
2851 has_attribute(Direction self, IntKey a0) -> bool
2852 has_attribute(Direction self, FloatsKey a0) -> bool
2853 has_attribute(Direction self, IntsKey a0) -> bool
2854 has_attribute(Direction self, StringKey a0) -> bool
2855 has_attribute(Direction self, ParticleIndexKey a0) -> bool
2856 has_attribute(Direction self, ObjectKey a0) -> bool
2857 has_attribute(Direction self, SparseFloatKey a0) -> bool
2858 has_attribute(Direction self, SparseIntKey a0) -> bool
2859 has_attribute(Direction self, SparseStringKey a0) -> bool
2860 has_attribute(Direction self, SparseParticleIndexKey a0) -> bool
2862 return _IMP_core.Direction_has_attribute(self, *args)
2864 def get_derivative(self, a0):
2865 r"""get_derivative(Direction self, FloatKey a0) -> double"""
2866 return _IMP_core.Direction_get_derivative(self, a0)
2869 r"""get_name(Direction self) -> std::string"""
2870 return _IMP_core.Direction_get_name(self)
2872 def clear_caches(self):
2873 r"""clear_caches(Direction self)"""
2874 return _IMP_core.Direction_clear_caches(self)
2876 def set_name(self, a0):
2877 r"""set_name(Direction self, std::string a0)"""
2878 return _IMP_core.Direction_set_name(self, a0)
2881 r"""set_check_level(Direction self, IMP::CheckLevel a0)"""
2882 return _IMP_core.Direction_set_check_level(self, a0)
2884 def add_to_derivative(self, a0, a1, a2):
2885 r"""add_to_derivative(Direction self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2886 return _IMP_core.Direction_add_to_derivative(self, a0, a1, a2)
2888 def set_is_optimized(self, a0, a1):
2889 r"""set_is_optimized(Direction self, FloatKey a0, bool a1)"""
2890 return _IMP_core.Direction_set_is_optimized(self, a0, a1)
2892 def get_is_optimized(self, a0):
2893 r"""get_is_optimized(Direction self, FloatKey a0) -> bool"""
2894 return _IMP_core.Direction_get_is_optimized(self, a0)
2897 r"""get_check_level(Direction self) -> IMP::CheckLevel"""
2898 return _IMP_core.Direction_get_check_level(self)
2900 def __eq__(self, *args):
2902 __eq__(Direction self, Direction o) -> bool
2903 __eq__(Direction self, Particle d) -> bool
2905 return _IMP_core.Direction___eq__(self, *args)
2907 def __ne__(self, *args):
2909 __ne__(Direction self, Direction o) -> bool
2910 __ne__(Direction self, Particle d) -> bool
2912 return _IMP_core.Direction___ne__(self, *args)
2914 def __le__(self, *args):
2916 __le__(Direction self, Direction o) -> bool
2917 __le__(Direction self, Particle d) -> bool
2919 return _IMP_core.Direction___le__(self, *args)
2921 def __lt__(self, *args):
2923 __lt__(Direction self, Direction o) -> bool
2924 __lt__(Direction self, Particle d) -> bool
2926 return _IMP_core.Direction___lt__(self, *args)
2928 def __ge__(self, *args):
2930 __ge__(Direction self, Direction o) -> bool
2931 __ge__(Direction self, Particle d) -> bool
2933 return _IMP_core.Direction___ge__(self, *args)
2935 def __gt__(self, *args):
2937 __gt__(Direction self, Direction o) -> bool
2938 __gt__(Direction self, Particle d) -> bool
2940 return _IMP_core.Direction___gt__(self, *args)
2943 r"""__hash__(Direction self) -> std::size_t"""
2944 return _IMP_core.Direction___hash__(self)
2947 r"""__str__(Direction self) -> std::string"""
2948 return _IMP_core.Direction___str__(self)
2951 r"""__repr__(Direction self) -> std::string"""
2952 return _IMP_core.Direction___repr__(self)
2954 def _get_as_binary(self):
2955 r"""_get_as_binary(Direction self) -> PyObject *"""
2956 return _IMP_core.Direction__get_as_binary(self)
2958 def _set_from_binary(self, p):
2959 r"""_set_from_binary(Direction self, PyObject * p)"""
2960 return _IMP_core.Direction__set_from_binary(self, p)
2962 def __getstate__(self):
2963 p = self._get_as_binary()
2964 if len(self.__dict__) > 1:
2965 d = self.__dict__.copy()
2970 def __setstate__(self, p):
2971 if not hasattr(self,
'this'):
2973 if isinstance(p, tuple):
2975 self.__dict__.update(d)
2976 return self._set_from_binary(p)
2978 __swig_destroy__ = _IMP_core.delete_Direction
2981 _IMP_core.Direction_swigregister(Direction)
2984 r"""get_angle(Direction a, Direction b) -> double"""
2985 return _IMP_core.get_angle(a, b)
2987 r"""Proxy of C++ IMP::core::DirectionAngle class."""
2989 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2991 def __init__(self, *args):
2993 __init__(DirectionAngle self) -> DirectionAngle
2994 __init__(DirectionAngle self, Model m, ParticleIndex id) -> DirectionAngle
2995 __init__(DirectionAngle self, _ParticleAdaptor d) -> DirectionAngle
2997 _IMP_core.DirectionAngle_swiginit(self, _IMP_core.new_DirectionAngle(*args))
2999 def show(self, *args):
3000 r"""show(DirectionAngle self, _ostream out=std::cout)"""
3001 return _IMP_core.DirectionAngle_show(self, *args)
3004 def setup_particle(*args):
3006 setup_particle(Model m, ParticleIndex pi, IMP::ParticleIndexPair ds) -> DirectionAngle
3007 setup_particle(_ParticleAdaptor pa, IMP::ParticleIndexPair ds) -> DirectionAngle
3008 setup_particle(Model m, ParticleIndex pi, _ParticleIndexAdaptor d0, _ParticleIndexAdaptor d1) -> DirectionAngle
3009 setup_particle(_ParticleAdaptor pa, _ParticleIndexAdaptor d0, _ParticleIndexAdaptor d1) -> DirectionAngle
3011 return _IMP_core.DirectionAngle_setup_particle(*args)
3014 def get_is_setup(*args):
3016 get_is_setup(_ParticleAdaptor p) -> bool
3017 get_is_setup(Model m, ParticleIndex pi) -> bool
3019 return _IMP_core.DirectionAngle_get_is_setup(*args)
3022 def get_angle_key():
3023 r"""get_angle_key() -> FloatKey"""
3024 return _IMP_core.DirectionAngle_get_angle_key()
3027 def get_particle_key(i):
3028 r"""get_particle_key(unsigned int i) -> ParticleIndexKey"""
3029 return _IMP_core.DirectionAngle_get_particle_key(i)
3031 def get_particle(self, *args):
3033 get_particle(DirectionAngle self, unsigned int i) -> Particle
3034 get_particle(DirectionAngle self) -> Particle
3036 return _IMP_core.DirectionAngle_get_particle(self, *args)
3038 def get_particle_index(self, *args):
3040 get_particle_index(DirectionAngle self, unsigned int i) -> ParticleIndex
3041 get_particle_index(DirectionAngle self) -> ParticleIndex
3043 return _IMP_core.DirectionAngle_get_particle_index(self, *args)
3046 r"""get_angle(DirectionAngle self) -> IMP::Float"""
3047 return _IMP_core.DirectionAngle_get_angle(self)
3049 def get_angle_derivative(self):
3050 r"""get_angle_derivative(DirectionAngle self) -> IMP::Float"""
3051 return _IMP_core.DirectionAngle_get_angle_derivative(self)
3053 def add_to_angle_derivative(self, v, d):
3054 r"""add_to_angle_derivative(DirectionAngle self, IMP::Float v, DerivativeAccumulator d)"""
3055 return _IMP_core.DirectionAngle_add_to_angle_derivative(self, v, d)
3057 def add_attribute(self, *args):
3059 add_attribute(DirectionAngle self, FloatKey k, IMP::Float v, bool opt)
3060 add_attribute(DirectionAngle self, FloatKey a0, IMP::Float a1)
3061 add_attribute(DirectionAngle self, IntKey a0, IMP::Int a1)
3062 add_attribute(DirectionAngle self, FloatsKey a0, IMP::Floats a1)
3063 add_attribute(DirectionAngle self, IntsKey a0, IMP::Ints a1)
3064 add_attribute(DirectionAngle self, StringKey a0, IMP::String a1)
3065 add_attribute(DirectionAngle self, ParticleIndexKey a0, Particle a1)
3066 add_attribute(DirectionAngle self, ObjectKey a0, Object a1)
3067 add_attribute(DirectionAngle self, SparseFloatKey a0, IMP::Float a1)
3068 add_attribute(DirectionAngle self, SparseIntKey a0, IMP::Int a1)
3069 add_attribute(DirectionAngle self, SparseStringKey a0, IMP::String a1)
3070 add_attribute(DirectionAngle self, SparseParticleIndexKey a0, ParticleIndex a1)
3072 return _IMP_core.DirectionAngle_add_attribute(self, *args)
3074 def get_value(self, *args):
3076 get_value(DirectionAngle self, FloatKey a0) -> IMP::Float
3077 get_value(DirectionAngle self, IntKey a0) -> IMP::Int
3078 get_value(DirectionAngle self, FloatsKey a0) -> IMP::Floats
3079 get_value(DirectionAngle self, IntsKey a0) -> IMP::Ints
3080 get_value(DirectionAngle self, StringKey a0) -> IMP::String
3081 get_value(DirectionAngle self, ParticleIndexKey a0) -> Particle
3082 get_value(DirectionAngle self, ObjectKey a0) -> Object
3083 get_value(DirectionAngle self, SparseFloatKey a0) -> IMP::Float
3084 get_value(DirectionAngle self, SparseIntKey a0) -> IMP::Int
3085 get_value(DirectionAngle self, SparseStringKey a0) -> IMP::String
3086 get_value(DirectionAngle self, SparseParticleIndexKey a0) -> ParticleIndex
3088 return _IMP_core.DirectionAngle_get_value(self, *args)
3090 def set_value(self, *args):
3092 set_value(DirectionAngle self, FloatKey a0, IMP::Float a1)
3093 set_value(DirectionAngle self, IntKey a0, IMP::Int a1)
3094 set_value(DirectionAngle self, FloatsKey a0, IMP::Floats a1)
3095 set_value(DirectionAngle self, IntsKey a0, IMP::Ints a1)
3096 set_value(DirectionAngle self, StringKey a0, IMP::String a1)
3097 set_value(DirectionAngle self, ParticleIndexKey a0, Particle a1)
3098 set_value(DirectionAngle self, ObjectKey a0, Object a1)
3099 set_value(DirectionAngle self, SparseFloatKey a0, IMP::Float a1)
3100 set_value(DirectionAngle self, SparseIntKey a0, IMP::Int a1)
3101 set_value(DirectionAngle self, SparseStringKey a0, IMP::String a1)
3102 set_value(DirectionAngle self, SparseParticleIndexKey a0, ParticleIndex a1)
3104 return _IMP_core.DirectionAngle_set_value(self, *args)
3106 def remove_attribute(self, *args):
3108 remove_attribute(DirectionAngle self, FloatKey a0)
3109 remove_attribute(DirectionAngle self, IntKey a0)
3110 remove_attribute(DirectionAngle self, FloatsKey a0)
3111 remove_attribute(DirectionAngle self, IntsKey a0)
3112 remove_attribute(DirectionAngle self, StringKey a0)
3113 remove_attribute(DirectionAngle self, ParticleIndexKey a0)
3114 remove_attribute(DirectionAngle self, ObjectKey a0)
3115 remove_attribute(DirectionAngle self, SparseFloatKey a0)
3116 remove_attribute(DirectionAngle self, SparseIntKey a0)
3117 remove_attribute(DirectionAngle self, SparseStringKey a0)
3118 remove_attribute(DirectionAngle self, SparseParticleIndexKey a0)
3120 return _IMP_core.DirectionAngle_remove_attribute(self, *args)
3122 def has_attribute(self, *args):
3124 has_attribute(DirectionAngle self, FloatKey a0) -> bool
3125 has_attribute(DirectionAngle self, IntKey a0) -> bool
3126 has_attribute(DirectionAngle self, FloatsKey a0) -> bool
3127 has_attribute(DirectionAngle self, IntsKey a0) -> bool
3128 has_attribute(DirectionAngle self, StringKey a0) -> bool
3129 has_attribute(DirectionAngle self, ParticleIndexKey a0) -> bool
3130 has_attribute(DirectionAngle self, ObjectKey a0) -> bool
3131 has_attribute(DirectionAngle self, SparseFloatKey a0) -> bool
3132 has_attribute(DirectionAngle self, SparseIntKey a0) -> bool
3133 has_attribute(DirectionAngle self, SparseStringKey a0) -> bool
3134 has_attribute(DirectionAngle self, SparseParticleIndexKey a0) -> bool
3136 return _IMP_core.DirectionAngle_has_attribute(self, *args)
3138 def get_derivative(self, a0):
3139 r"""get_derivative(DirectionAngle self, FloatKey a0) -> double"""
3140 return _IMP_core.DirectionAngle_get_derivative(self, a0)
3143 r"""get_name(DirectionAngle self) -> std::string"""
3144 return _IMP_core.DirectionAngle_get_name(self)
3146 def clear_caches(self):
3147 r"""clear_caches(DirectionAngle self)"""
3148 return _IMP_core.DirectionAngle_clear_caches(self)
3150 def set_name(self, a0):
3151 r"""set_name(DirectionAngle self, std::string a0)"""
3152 return _IMP_core.DirectionAngle_set_name(self, a0)
3155 r"""set_check_level(DirectionAngle self, IMP::CheckLevel a0)"""
3156 return _IMP_core.DirectionAngle_set_check_level(self, a0)
3158 def add_to_derivative(self, a0, a1, a2):
3159 r"""add_to_derivative(DirectionAngle self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3160 return _IMP_core.DirectionAngle_add_to_derivative(self, a0, a1, a2)
3162 def set_is_optimized(self, a0, a1):
3163 r"""set_is_optimized(DirectionAngle self, FloatKey a0, bool a1)"""
3164 return _IMP_core.DirectionAngle_set_is_optimized(self, a0, a1)
3166 def get_is_optimized(self, a0):
3167 r"""get_is_optimized(DirectionAngle self, FloatKey a0) -> bool"""
3168 return _IMP_core.DirectionAngle_get_is_optimized(self, a0)
3171 r"""get_check_level(DirectionAngle self) -> IMP::CheckLevel"""
3172 return _IMP_core.DirectionAngle_get_check_level(self)
3174 def __eq__(self, *args):
3176 __eq__(DirectionAngle self, DirectionAngle o) -> bool
3177 __eq__(DirectionAngle self, Particle d) -> bool
3179 return _IMP_core.DirectionAngle___eq__(self, *args)
3181 def __ne__(self, *args):
3183 __ne__(DirectionAngle self, DirectionAngle o) -> bool
3184 __ne__(DirectionAngle self, Particle d) -> bool
3186 return _IMP_core.DirectionAngle___ne__(self, *args)
3188 def __le__(self, *args):
3190 __le__(DirectionAngle self, DirectionAngle o) -> bool
3191 __le__(DirectionAngle self, Particle d) -> bool
3193 return _IMP_core.DirectionAngle___le__(self, *args)
3195 def __lt__(self, *args):
3197 __lt__(DirectionAngle self, DirectionAngle o) -> bool
3198 __lt__(DirectionAngle self, Particle d) -> bool
3200 return _IMP_core.DirectionAngle___lt__(self, *args)
3202 def __ge__(self, *args):
3204 __ge__(DirectionAngle self, DirectionAngle o) -> bool
3205 __ge__(DirectionAngle self, Particle d) -> bool
3207 return _IMP_core.DirectionAngle___ge__(self, *args)
3209 def __gt__(self, *args):
3211 __gt__(DirectionAngle self, DirectionAngle o) -> bool
3212 __gt__(DirectionAngle self, Particle d) -> bool
3214 return _IMP_core.DirectionAngle___gt__(self, *args)
3217 r"""__hash__(DirectionAngle self) -> std::size_t"""
3218 return _IMP_core.DirectionAngle___hash__(self)
3221 r"""__str__(DirectionAngle self) -> std::string"""
3222 return _IMP_core.DirectionAngle___str__(self)
3225 r"""__repr__(DirectionAngle self) -> std::string"""
3226 return _IMP_core.DirectionAngle___repr__(self)
3228 def _get_as_binary(self):
3229 r"""_get_as_binary(DirectionAngle self) -> PyObject *"""
3230 return _IMP_core.DirectionAngle__get_as_binary(self)
3232 def _set_from_binary(self, p):
3233 r"""_set_from_binary(DirectionAngle self, PyObject * p)"""
3234 return _IMP_core.DirectionAngle__set_from_binary(self, p)
3236 def __getstate__(self):
3237 p = self._get_as_binary()
3238 if len(self.__dict__) > 1:
3239 d = self.__dict__.copy()
3244 def __setstate__(self, p):
3245 if not hasattr(self,
'this'):
3247 if isinstance(p, tuple):
3249 self.__dict__.update(d)
3250 return self._set_from_binary(p)
3252 __swig_destroy__ = _IMP_core.delete_DirectionAngle
3255 _IMP_core.DirectionAngle_swigregister(DirectionAngle)
3257 r"""Proxy of C++ IMP::core::Surface class."""
3259 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3262 def do_setup_particle(*args):
3264 do_setup_particle(Model m, ParticleIndex pi, Vector3D center=IMP::Vector3D(0, 0, 0), Vector3D normal=IMP::Vector3D(0, 0, 1))
3265 do_setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf)
3267 return _IMP_core.Surface_do_setup_particle(*args)
3269 def __init__(self, *args):
3271 __init__(Surface self) -> Surface
3272 __init__(Surface self, Model m, ParticleIndex id) -> Surface
3273 __init__(Surface self, _ParticleAdaptor d) -> Surface
3275 _IMP_core.Surface_swiginit(self, _IMP_core.new_Surface(*args))
3277 def show(self, *args):
3278 r"""show(Surface self, _ostream out=std::cout)"""
3279 return _IMP_core.Surface_show(self, *args)
3282 def setup_particle(*args):
3284 setup_particle(Model m, ParticleIndex pi) -> Surface
3285 setup_particle(_ParticleAdaptor pa) -> Surface
3286 setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf) -> Surface
3287 setup_particle(_ParticleAdaptor pa, ReferenceFrame3D rf) -> Surface
3288 setup_particle(Model m, ParticleIndex pi, Vector3D center) -> Surface
3289 setup_particle(_ParticleAdaptor pa, Vector3D center) -> Surface
3290 setup_particle(Model m, ParticleIndex pi, Vector3D center, Vector3D normal) -> Surface
3291 setup_particle(_ParticleAdaptor pa, Vector3D center, Vector3D normal) -> Surface
3293 return _IMP_core.Surface_setup_particle(*args)
3295 def get_normal_x(self):
3296 r"""get_normal_x(Surface self) -> IMP::Float"""
3297 return _IMP_core.Surface_get_normal_x(self)
3299 def set_normal_x(self, t):
3300 r"""set_normal_x(Surface self, IMP::Float t)"""
3301 return _IMP_core.Surface_set_normal_x(self, t)
3303 def get_normal_y(self):
3304 r"""get_normal_y(Surface self) -> IMP::Float"""
3305 return _IMP_core.Surface_get_normal_y(self)
3307 def set_normal_y(self, t):
3308 r"""set_normal_y(Surface self, IMP::Float t)"""
3309 return _IMP_core.Surface_set_normal_y(self, t)
3311 def get_normal_z(self):
3312 r"""get_normal_z(Surface self) -> IMP::Float"""
3313 return _IMP_core.Surface_get_normal_z(self)
3315 def set_normal_z(self, t):
3316 r"""set_normal_z(Surface self, IMP::Float t)"""
3317 return _IMP_core.Surface_set_normal_z(self, t)
3320 def get_is_setup(*args):
3322 get_is_setup(_ParticleAdaptor p) -> bool
3323 get_is_setup(Model m, ParticleIndex pi) -> bool
3325 return _IMP_core.Surface_get_is_setup(*args)
3328 def get_normal_key(i):
3329 r"""get_normal_key(unsigned int i) -> FloatKey"""
3330 return _IMP_core.Surface_get_normal_key(i)
3332 def get_normal_derivative(self, i):
3333 r"""get_normal_derivative(Surface self, int i) -> IMP::Float"""
3334 return _IMP_core.Surface_get_normal_derivative(self, i)
3336 def get_normal_derivatives(self):
3337 r"""get_normal_derivatives(Surface self) -> Vector3D"""
3338 return _IMP_core.Surface_get_normal_derivatives(self)
3340 def add_to_normal_derivative(self, i, v, d):
3341 r"""add_to_normal_derivative(Surface self, int i, IMP::Float v, DerivativeAccumulator d)"""
3342 return _IMP_core.Surface_add_to_normal_derivative(self, i, v, d)
3344 def add_to_normal_derivatives(self, v, d):
3345 r"""add_to_normal_derivatives(Surface self, Vector3D v, DerivativeAccumulator d)"""
3346 return _IMP_core.Surface_add_to_normal_derivatives(self, v, d)
3348 def get_normal_is_optimized(self):
3349 r"""get_normal_is_optimized(Surface self) -> bool"""
3350 return _IMP_core.Surface_get_normal_is_optimized(self)
3352 def set_normal_is_optimized(self, tf):
3353 r"""set_normal_is_optimized(Surface self, bool tf)"""
3354 return _IMP_core.Surface_set_normal_is_optimized(self, tf)
3356 def get_normal(self):
3357 r"""get_normal(Surface self) -> Vector3D"""
3358 return _IMP_core.Surface_get_normal(self)
3360 def set_normal(self, normal):
3361 r"""set_normal(Surface self, Vector3D normal)"""
3362 return _IMP_core.Surface_set_normal(self, normal)
3365 r"""reflect(Surface self)"""
3366 return _IMP_core.Surface_reflect(self)
3369 r"""get_height(Surface self, Vector3D v) -> double"""
3370 return _IMP_core.Surface_get_height(self, v)
3373 r"""get_depth(Surface self, Vector3D v) -> double"""
3374 return _IMP_core.Surface_get_depth(self, v)
3376 def get_distance_to(self, v):
3377 r"""get_distance_to(Surface self, Vector3D v) -> double"""
3378 return _IMP_core.Surface_get_distance_to(self, v)
3380 def get_distance_to_center(self, v):
3381 r"""get_distance_to_center(Surface self, Vector3D v) -> double"""
3382 return _IMP_core.Surface_get_distance_to_center(self, v)
3384 def set_reference_frame(self, rf):
3385 r"""set_reference_frame(Surface self, ReferenceFrame3D rf)"""
3386 return _IMP_core.Surface_set_reference_frame(self, rf)
3388 def get_reference_frame(self):
3389 r"""get_reference_frame(Surface self) -> ReferenceFrame3D"""
3390 return _IMP_core.Surface_get_reference_frame(self)
3392 def get_plane(self):
3393 r"""get_plane(Surface self) -> Plane3D"""
3394 return _IMP_core.Surface_get_plane(self)
3396 def add_attribute(self, *args):
3398 add_attribute(Surface self, FloatKey k, IMP::Float v, bool opt)
3399 add_attribute(Surface self, FloatKey a0, IMP::Float a1)
3400 add_attribute(Surface self, IntKey a0, IMP::Int a1)
3401 add_attribute(Surface self, FloatsKey a0, IMP::Floats a1)
3402 add_attribute(Surface self, IntsKey a0, IMP::Ints a1)
3403 add_attribute(Surface self, StringKey a0, IMP::String a1)
3404 add_attribute(Surface self, ParticleIndexKey a0, Particle a1)
3405 add_attribute(Surface self, ObjectKey a0, Object a1)
3406 add_attribute(Surface self, SparseFloatKey a0, IMP::Float a1)
3407 add_attribute(Surface self, SparseIntKey a0, IMP::Int a1)
3408 add_attribute(Surface self, SparseStringKey a0, IMP::String a1)
3409 add_attribute(Surface self, SparseParticleIndexKey a0, ParticleIndex a1)
3411 return _IMP_core.Surface_add_attribute(self, *args)
3413 def get_value(self, *args):
3415 get_value(Surface self, FloatKey a0) -> IMP::Float
3416 get_value(Surface self, IntKey a0) -> IMP::Int
3417 get_value(Surface self, FloatsKey a0) -> IMP::Floats
3418 get_value(Surface self, IntsKey a0) -> IMP::Ints
3419 get_value(Surface self, StringKey a0) -> IMP::String
3420 get_value(Surface self, ParticleIndexKey a0) -> Particle
3421 get_value(Surface self, ObjectKey a0) -> Object
3422 get_value(Surface self, SparseFloatKey a0) -> IMP::Float
3423 get_value(Surface self, SparseIntKey a0) -> IMP::Int
3424 get_value(Surface self, SparseStringKey a0) -> IMP::String
3425 get_value(Surface self, SparseParticleIndexKey a0) -> ParticleIndex
3427 return _IMP_core.Surface_get_value(self, *args)
3429 def set_value(self, *args):
3431 set_value(Surface self, FloatKey a0, IMP::Float a1)
3432 set_value(Surface self, IntKey a0, IMP::Int a1)
3433 set_value(Surface self, FloatsKey a0, IMP::Floats a1)
3434 set_value(Surface self, IntsKey a0, IMP::Ints a1)
3435 set_value(Surface self, StringKey a0, IMP::String a1)
3436 set_value(Surface self, ParticleIndexKey a0, Particle a1)
3437 set_value(Surface self, ObjectKey a0, Object a1)
3438 set_value(Surface self, SparseFloatKey a0, IMP::Float a1)
3439 set_value(Surface self, SparseIntKey a0, IMP::Int a1)
3440 set_value(Surface self, SparseStringKey a0, IMP::String a1)
3441 set_value(Surface self, SparseParticleIndexKey a0, ParticleIndex a1)
3443 return _IMP_core.Surface_set_value(self, *args)
3445 def remove_attribute(self, *args):
3447 remove_attribute(Surface self, FloatKey a0)
3448 remove_attribute(Surface self, IntKey a0)
3449 remove_attribute(Surface self, FloatsKey a0)
3450 remove_attribute(Surface self, IntsKey a0)
3451 remove_attribute(Surface self, StringKey a0)
3452 remove_attribute(Surface self, ParticleIndexKey a0)
3453 remove_attribute(Surface self, ObjectKey a0)
3454 remove_attribute(Surface self, SparseFloatKey a0)
3455 remove_attribute(Surface self, SparseIntKey a0)
3456 remove_attribute(Surface self, SparseStringKey a0)
3457 remove_attribute(Surface self, SparseParticleIndexKey a0)
3459 return _IMP_core.Surface_remove_attribute(self, *args)
3461 def has_attribute(self, *args):
3463 has_attribute(Surface self, FloatKey a0) -> bool
3464 has_attribute(Surface self, IntKey a0) -> bool
3465 has_attribute(Surface self, FloatsKey a0) -> bool
3466 has_attribute(Surface self, IntsKey a0) -> bool
3467 has_attribute(Surface self, StringKey a0) -> bool
3468 has_attribute(Surface self, ParticleIndexKey a0) -> bool
3469 has_attribute(Surface self, ObjectKey a0) -> bool
3470 has_attribute(Surface self, SparseFloatKey a0) -> bool
3471 has_attribute(Surface self, SparseIntKey a0) -> bool
3472 has_attribute(Surface self, SparseStringKey a0) -> bool
3473 has_attribute(Surface self, SparseParticleIndexKey a0) -> bool
3475 return _IMP_core.Surface_has_attribute(self, *args)
3477 def get_derivative(self, a0):
3478 r"""get_derivative(Surface self, FloatKey a0) -> double"""
3479 return _IMP_core.Surface_get_derivative(self, a0)
3482 r"""get_name(Surface self) -> std::string"""
3483 return _IMP_core.Surface_get_name(self)
3485 def clear_caches(self):
3486 r"""clear_caches(Surface self)"""
3487 return _IMP_core.Surface_clear_caches(self)
3489 def set_name(self, a0):
3490 r"""set_name(Surface self, std::string a0)"""
3491 return _IMP_core.Surface_set_name(self, a0)
3494 r"""set_check_level(Surface self, IMP::CheckLevel a0)"""
3495 return _IMP_core.Surface_set_check_level(self, a0)
3497 def add_to_derivative(self, a0, a1, a2):
3498 r"""add_to_derivative(Surface self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3499 return _IMP_core.Surface_add_to_derivative(self, a0, a1, a2)
3501 def set_is_optimized(self, a0, a1):
3502 r"""set_is_optimized(Surface self, FloatKey a0, bool a1)"""
3503 return _IMP_core.Surface_set_is_optimized(self, a0, a1)
3505 def get_is_optimized(self, a0):
3506 r"""get_is_optimized(Surface self, FloatKey a0) -> bool"""
3507 return _IMP_core.Surface_get_is_optimized(self, a0)
3510 r"""get_check_level(Surface self) -> IMP::CheckLevel"""
3511 return _IMP_core.Surface_get_check_level(self)
3513 def __eq__(self, *args):
3515 __eq__(Surface self, Surface o) -> bool
3516 __eq__(Surface self, Particle d) -> bool
3518 return _IMP_core.Surface___eq__(self, *args)
3520 def __ne__(self, *args):
3522 __ne__(Surface self, Surface o) -> bool
3523 __ne__(Surface self, Particle d) -> bool
3525 return _IMP_core.Surface___ne__(self, *args)
3527 def __le__(self, *args):
3529 __le__(Surface self, Surface o) -> bool
3530 __le__(Surface self, Particle d) -> bool
3532 return _IMP_core.Surface___le__(self, *args)
3534 def __lt__(self, *args):
3536 __lt__(Surface self, Surface o) -> bool
3537 __lt__(Surface self, Particle d) -> bool
3539 return _IMP_core.Surface___lt__(self, *args)
3541 def __ge__(self, *args):
3543 __ge__(Surface self, Surface o) -> bool
3544 __ge__(Surface self, Particle d) -> bool
3546 return _IMP_core.Surface___ge__(self, *args)
3548 def __gt__(self, *args):
3550 __gt__(Surface self, Surface o) -> bool
3551 __gt__(Surface self, Particle d) -> bool
3553 return _IMP_core.Surface___gt__(self, *args)
3556 r"""__hash__(Surface self) -> std::size_t"""
3557 return _IMP_core.Surface___hash__(self)
3560 r"""__str__(Surface self) -> std::string"""
3561 return _IMP_core.Surface___str__(self)
3564 r"""__repr__(Surface self) -> std::string"""
3565 return _IMP_core.Surface___repr__(self)
3567 def _get_as_binary(self):
3568 r"""_get_as_binary(Surface self) -> PyObject *"""
3569 return _IMP_core.Surface__get_as_binary(self)
3571 def _set_from_binary(self, p):
3572 r"""_set_from_binary(Surface self, PyObject * p)"""
3573 return _IMP_core.Surface__set_from_binary(self, p)
3575 def __getstate__(self):
3576 p = self._get_as_binary()
3577 if len(self.__dict__) > 1:
3578 d = self.__dict__.copy()
3583 def __setstate__(self, p):
3584 if not hasattr(self,
'this'):
3586 if isinstance(p, tuple):
3588 self.__dict__.update(d)
3589 return self._set_from_binary(p)
3591 __swig_destroy__ = _IMP_core.delete_Surface
3594 _IMP_core.Surface_swigregister(Surface)
3598 get_height(Surface s, XYZR d) -> double
3599 get_height(Surface s, XYZ d) -> double
3601 return _IMP_core.get_height(*args)
3605 get_depth(Surface s, XYZR d) -> double
3606 get_depth(Surface s, XYZ d) -> double
3608 return _IMP_core.get_depth(*args)
3612 get_distance(XYZ a, XYZ b) -> double
3613 get_distance(XYZR a, XYZR b) -> double
3614 get_distance(Surface s, XYZR d) -> double
3615 get_distance(Surface s, XYZ d) -> double
3617 return _IMP_core.get_distance(*args)
3619 r"""Proxy of C++ IMP::core::SurfaceGeometry class."""
3621 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3623 def __init__(self, *args):
3625 __init__(SurfaceGeometry self, std::string n="SurfaceGeometry") -> SurfaceGeometry
3626 __init__(SurfaceGeometry self, Surface s, std::string const n="SurfaceGeometry") -> SurfaceGeometry
3627 __init__(SurfaceGeometry self, Surface s, Color c, std::string n="SurfaceGeometry") -> SurfaceGeometry
3629 _IMP_core.SurfaceGeometry_swiginit(self, _IMP_core.new_SurfaceGeometry(*args))
3631 def get_geometry(self):
3632 r"""get_geometry(SurfaceGeometry self) -> Surface"""
3633 return _IMP_core.SurfaceGeometry_get_geometry(self)
3635 def set_geometry(self, s):
3636 r"""set_geometry(SurfaceGeometry self, Surface s)"""
3637 return _IMP_core.SurfaceGeometry_set_geometry(self, s)
3639 def get_version_info(self):
3640 r"""get_version_info(SurfaceGeometry self) -> VersionInfo"""
3641 return _IMP_core.SurfaceGeometry_get_version_info(self)
3642 __swig_destroy__ = _IMP_core.delete_SurfaceGeometry
3645 r"""__str__(SurfaceGeometry self) -> std::string"""
3646 return _IMP_core.SurfaceGeometry___str__(self)
3649 r"""__repr__(SurfaceGeometry self) -> std::string"""
3650 return _IMP_core.SurfaceGeometry___repr__(self)
3654 return _object_cast_to_SurfaceGeometry(o)
3658 _IMP_core.SurfaceGeometry_swigregister(SurfaceGeometry)
3661 r"""create_geometry(Surface s, std::string name=std::string("SurfaceGeometry%1%")) -> SurfaceGeometry"""
3662 return _IMP_core.create_geometry(*args)
3664 r"""Proxy of C++ IMP::core::SurfaceGeometryConstraint class."""
3666 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3668 def __init__(self, s, g):
3669 r"""__init__(SurfaceGeometryConstraint self, Surface s, SurfaceGeometry g) -> SurfaceGeometryConstraint"""
3670 _IMP_core.SurfaceGeometryConstraint_swiginit(self, _IMP_core.new_SurfaceGeometryConstraint(s, g))
3672 def get_surface(self):
3673 r"""get_surface(SurfaceGeometryConstraint self) -> Surface"""
3674 return _IMP_core.SurfaceGeometryConstraint_get_surface(self)
3676 def get_geometry(self):
3677 r"""get_geometry(SurfaceGeometryConstraint self) -> SurfaceGeometry"""
3678 return _IMP_core.SurfaceGeometryConstraint_get_geometry(self)
3680 def do_get_inputs(self):
3681 r"""do_get_inputs(SurfaceGeometryConstraint self) -> IMP::ModelObjectsTemp"""
3682 return _IMP_core.SurfaceGeometryConstraint_do_get_inputs(self)
3684 def do_get_outputs(self):
3685 r"""do_get_outputs(SurfaceGeometryConstraint self) -> IMP::ModelObjectsTemp"""
3686 return _IMP_core.SurfaceGeometryConstraint_do_get_outputs(self)
3688 def get_version_info(self):
3689 r"""get_version_info(SurfaceGeometryConstraint self) -> VersionInfo"""
3690 return _IMP_core.SurfaceGeometryConstraint_get_version_info(self)
3691 __swig_destroy__ = _IMP_core.delete_SurfaceGeometryConstraint
3694 r"""__str__(SurfaceGeometryConstraint self) -> std::string"""
3695 return _IMP_core.SurfaceGeometryConstraint___str__(self)
3698 r"""__repr__(SurfaceGeometryConstraint self) -> std::string"""
3699 return _IMP_core.SurfaceGeometryConstraint___repr__(self)
3703 return _object_cast_to_SurfaceGeometryConstraint(o)
3707 _IMP_core.SurfaceGeometryConstraint_swigregister(SurfaceGeometryConstraint)
3710 r"""get_constrained_surface_geometry(Surface s, std::string name="SurfaceGeometry%1%") -> SurfaceGeometry"""
3711 return _IMP_core.get_constrained_surface_geometry(*args)
3713 r"""Proxy of C++ IMP::core::LateralSurfaceConstraint class."""
3715 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3717 def __init__(self, s, d):
3718 r"""__init__(LateralSurfaceConstraint self, Surface s, XYZ d) -> LateralSurfaceConstraint"""
3719 _IMP_core.LateralSurfaceConstraint_swiginit(self, _IMP_core.new_LateralSurfaceConstraint(s, d))
3721 def do_get_inputs(self):
3722 r"""do_get_inputs(LateralSurfaceConstraint self) -> IMP::ModelObjectsTemp"""
3723 return _IMP_core.LateralSurfaceConstraint_do_get_inputs(self)
3725 def do_get_outputs(self):
3726 r"""do_get_outputs(LateralSurfaceConstraint self) -> IMP::ModelObjectsTemp"""
3727 return _IMP_core.LateralSurfaceConstraint_do_get_outputs(self)
3729 def get_version_info(self):
3730 r"""get_version_info(LateralSurfaceConstraint self) -> VersionInfo"""
3731 return _IMP_core.LateralSurfaceConstraint_get_version_info(self)
3732 __swig_destroy__ = _IMP_core.delete_LateralSurfaceConstraint
3735 r"""__str__(LateralSurfaceConstraint self) -> std::string"""
3736 return _IMP_core.LateralSurfaceConstraint___str__(self)
3739 r"""__repr__(LateralSurfaceConstraint self) -> std::string"""
3740 return _IMP_core.LateralSurfaceConstraint___repr__(self)
3744 return _object_cast_to_LateralSurfaceConstraint(o)
3748 _IMP_core.LateralSurfaceConstraint_swigregister(LateralSurfaceConstraint)
3750 r"""Proxy of C++ IMP::core::AngleTripletScore class."""
3752 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3754 def __init__(self, *args):
3756 __init__(AngleTripletScore self, UnaryFunction f) -> AngleTripletScore
3757 __init__(AngleTripletScore self) -> AngleTripletScore
3759 _IMP_core.AngleTripletScore_swiginit(self, _IMP_core.new_AngleTripletScore(*args))
3761 def do_get_inputs(self, m, pis):
3762 r"""do_get_inputs(AngleTripletScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3763 return _IMP_core.AngleTripletScore_do_get_inputs(self, m, pis)
3765 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
3766 r"""evaluate_indexes(AngleTripletScore self, Model m, IMP::ParticleIndexTriplets const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
3767 return _IMP_core.AngleTripletScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
3769 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
3770 r"""evaluate_indexes_scores(AngleTripletScore self, Model m, IMP::ParticleIndexTriplets const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
3771 return _IMP_core.AngleTripletScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
3773 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
3774 r"""evaluate_indexes_delta(AngleTripletScore self, Model m, IMP::ParticleIndexTriplets const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, std::vector< double,std::allocator< double > > & score, bool all_indexes_checked=False) -> double"""
3775 return _IMP_core.AngleTripletScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
3777 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3778 r"""evaluate_if_good_indexes(AngleTripletScore self, Model m, IMP::ParticleIndexTriplets const & p, DerivativeAccumulator da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
3779 return _IMP_core.AngleTripletScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3781 def get_version_info(self):
3782 r"""get_version_info(AngleTripletScore self) -> VersionInfo"""
3783 return _IMP_core.AngleTripletScore_get_version_info(self)
3784 __swig_destroy__ = _IMP_core.delete_AngleTripletScore
3787 r"""__str__(AngleTripletScore self) -> std::string"""
3788 return _IMP_core.AngleTripletScore___str__(self)
3791 r"""__repr__(AngleTripletScore self) -> std::string"""
3792 return _IMP_core.AngleTripletScore___repr__(self)
3796 return _object_cast_to_AngleTripletScore(o)
3799 def _get_as_binary(self):
3800 r"""_get_as_binary(AngleTripletScore self) -> PyObject *"""
3801 return _IMP_core.AngleTripletScore__get_as_binary(self)
3803 def _set_from_binary(self, p):
3804 r"""_set_from_binary(AngleTripletScore self, PyObject * p)"""
3805 return _IMP_core.AngleTripletScore__set_from_binary(self, p)
3807 def __getstate__(self):
3808 p = self._get_as_binary()
3809 if len(self.__dict__) > 1:
3810 d = self.__dict__.copy()
3815 def __setstate__(self, p):
3816 if not hasattr(self,
'this'):
3818 if isinstance(p, tuple):
3820 self.__dict__.update(d)
3821 return self._set_from_binary(p)
3825 _IMP_core.AngleTripletScore_swigregister(AngleTripletScore)
3826 class BallMover(MonteCarloMover):
3827 r"""Proxy of C++ IMP::core::BallMover class."""
3829 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3831 def __init__(self, *args):
3833 __init__(BallMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double radius) -> BallMover
3834 __init__(BallMover self, Model m, ParticleIndex pi, double radius) -> BallMover
3835 __init__(BallMover self, Model m, IMP::ParticleIndexes const & pis, IMP::FloatKeys const & vars, IMP::Float radius) -> BallMover
3836 __init__(BallMover self, Model m, IMP::ParticleIndexes const & pis, IMP::Float radius) -> BallMover
3837 __init__(BallMover self) -> BallMover
3839 _IMP_core.BallMover_swiginit(self, _IMP_core.new_BallMover(*args))
3841 def set_radius(self, radius):
3842 r"""set_radius(BallMover self, IMP::Float radius)"""
3843 return _IMP_core.BallMover_set_radius(self, radius)
3845 def get_radius(self):
3846 r"""get_radius(BallMover self) -> IMP::Float"""
3847 return _IMP_core.BallMover_get_radius(self)
3850 r"""get_indexes(BallMover self) -> IMP::ParticleIndexes"""
3851 return _IMP_core.BallMover_get_indexes(self)
3854 r"""get_keys(BallMover self) -> IMP::FloatKeys"""
3855 return _IMP_core.BallMover_get_keys(self)
3857 def get_version_info(self):
3858 r"""get_version_info(BallMover self) -> VersionInfo"""
3859 return _IMP_core.BallMover_get_version_info(self)
3860 __swig_destroy__ = _IMP_core.delete_BallMover
3863 r"""__str__(BallMover self) -> std::string"""
3864 return _IMP_core.BallMover___str__(self)
3867 r"""__repr__(BallMover self) -> std::string"""
3868 return _IMP_core.BallMover___repr__(self)
3872 return _object_cast_to_BallMover(o)
3875 def _get_as_binary(self):
3876 r"""_get_as_binary(BallMover self) -> PyObject *"""
3877 return _IMP_core.BallMover__get_as_binary(self)
3879 def _set_from_binary(self, p):
3880 r"""_set_from_binary(BallMover self, PyObject * p)"""
3881 return _IMP_core.BallMover__set_from_binary(self, p)
3883 def __getstate__(self):
3884 p = self._get_as_binary()
3885 if len(self.__dict__) > 1:
3886 d = self.__dict__.copy()
3891 def __setstate__(self, p):
3892 if not hasattr(self,
'this'):
3894 if isinstance(p, tuple):
3896 self.__dict__.update(d)
3897 return self._set_from_binary(p)
3902 from IMP.algebra._jax_util
import get_random_vector_in_3d_sphere
3903 indexes = self.get_indexes()
3904 keys = frozenset(self.get_keys())
3907 elif keys == frozenset(
3911 raise NotImplementedError(
3912 "Only works for XYZ or internal coordinates")
3913 radius = self.get_radius()
3918 def propose_func(jm, key):
3919 key, subkey = jax.random.split(key)
3920 v = get_random_vector_in_3d_sphere(subkey, radius)
3922 rbs = jm[
'rigid_bodies']
3923 rbs.intcoord = rbs.intcoord.at[indexes].add(v)
3925 jm[
'xyz'] = jm[
'xyz'].at[indexes].add(v)
3927 return self._wrap_jax(init_func, propose_func,
3928 keys=[
'rigid_bodies']
if intcoord
else None)
3932 _IMP_core.BallMover_swigregister(BallMover)
3933 class SerialMover(MonteCarloMover):
3934 r"""Proxy of C++ IMP::core::SerialMover class."""
3936 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3938 def __init__(self, *args):
3940 __init__(SerialMover self, IMP::core::MonteCarloMoversTemp const & mvs) -> SerialMover
3941 __init__(SerialMover self) -> SerialMover
3943 _IMP_core.SerialMover_swiginit(self, _IMP_core.new_SerialMover(*args))
3945 def get_movers(self):
3946 r"""get_movers(SerialMover self) -> IMP::core::MonteCarloMovers const &"""
3947 return _IMP_core.SerialMover_get_movers(self)
3949 def get_version_info(self):
3950 r"""get_version_info(SerialMover self) -> VersionInfo"""
3951 return _IMP_core.SerialMover_get_version_info(self)
3952 __swig_destroy__ = _IMP_core.delete_SerialMover
3955 r"""__str__(SerialMover self) -> std::string"""
3956 return _IMP_core.SerialMover___str__(self)
3959 r"""__repr__(SerialMover self) -> std::string"""
3960 return _IMP_core.SerialMover___repr__(self)
3964 return _object_cast_to_SerialMover(o)
3967 def _get_as_binary(self):
3968 r"""_get_as_binary(SerialMover self) -> PyObject *"""
3969 return _IMP_core.SerialMover__get_as_binary(self)
3971 def _set_from_binary(self, p):
3972 r"""_set_from_binary(SerialMover self, PyObject * p)"""
3973 return _IMP_core.SerialMover__set_from_binary(self, p)
3975 def __getstate__(self):
3976 p = self._get_as_binary()
3977 if len(self.__dict__) > 1:
3978 d = self.__dict__.copy()
3983 def __setstate__(self, p):
3984 if not hasattr(self,
'this'):
3986 if isinstance(p, tuple):
3988 self.__dict__.update(d)
3989 return self._set_from_binary(p)
3995 import jax.numpy
as jnp
3996 from IMP.core._jax_util
import _SerialMover
3997 movers = [m.get_derived_object()._get_jax()
3998 for m
in self.get_movers()]
4000 def sub_propose_func(jm, sms, i):
4001 """Call the propose_func of the ith mover"""
4002 jm, sms.mover_state[i], ratio = movers[i].propose_func(
4003 jm, sms.mover_state[i])
4004 sms.proposed_mover_steps = sms.proposed_mover_steps.at[i].add(1)
4005 return jm, sms, ratio
4007 sub_propose_funcs = [functools.partial(sub_propose_func, i=i)
4008 for i
in range(len(movers))]
4014 key, subkey = jax.random.split(key)
4015 mover_state.append(m.init_func(subkey))
4016 return _SerialMover(
4017 imov=-1, mover_state=mover_state,
4018 proposed_mover_steps=jnp.zeros(len(movers), dtype=int),
4019 accepted_mover_steps=jnp.zeros(len(movers), dtype=int))
4021 def propose_func(jm, sms):
4022 sms.imov = jnp.mod(sms.imov + 1, len(movers))
4023 return jax.lax.switch(sms.imov, sub_propose_funcs, jm, sms)
4025 def accept_func(sms):
4027 sms.accepted_mover_steps = \
4028 sms.accepted_mover_steps.at[sms.imov].add(1)
4031 def sync_func(imp_mover, sms):
4033 for i, mover
in enumerate(imp_mover.get_movers()):
4034 mover.add_to_statistics(
4035 sms.proposed_mover_steps[i],
4036 sms.proposed_mover_steps[i] - sms.accepted_mover_steps[i])
4038 return self._wrap_jax(
4039 init_func, propose_func, accept_func, sync_func,
4040 keys=frozenset(x
for m
in movers
for x
in m._keys))
4044 _IMP_core.SerialMover_swigregister(SerialMover)
4045 class SubsetMover(MonteCarloMover):
4046 r"""Proxy of C++ IMP::core::SubsetMover class."""
4048 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4050 def __init__(self, *args):
4052 __init__(SubsetMover self, IMP::core::MonteCarloMoversTemp const & mvs, unsigned int n) -> SubsetMover
4053 __init__(SubsetMover self) -> SubsetMover
4055 _IMP_core.SubsetMover_swiginit(self, _IMP_core.new_SubsetMover(*args))
4057 def get_movers(self):
4058 r"""get_movers(SubsetMover self) -> IMP::core::MonteCarloMovers const &"""
4059 return _IMP_core.SubsetMover_get_movers(self)
4061 def get_subset_size(self):
4062 r"""get_subset_size(SubsetMover self) -> unsigned int"""
4063 return _IMP_core.SubsetMover_get_subset_size(self)
4065 def get_version_info(self):
4066 r"""get_version_info(SubsetMover self) -> VersionInfo"""
4067 return _IMP_core.SubsetMover_get_version_info(self)
4068 __swig_destroy__ = _IMP_core.delete_SubsetMover
4071 r"""__str__(SubsetMover self) -> std::string"""
4072 return _IMP_core.SubsetMover___str__(self)
4075 r"""__repr__(SubsetMover self) -> std::string"""
4076 return _IMP_core.SubsetMover___repr__(self)
4080 return _object_cast_to_SubsetMover(o)
4083 def _get_as_binary(self):
4084 r"""_get_as_binary(SubsetMover self) -> PyObject *"""
4085 return _IMP_core.SubsetMover__get_as_binary(self)
4087 def _set_from_binary(self, p):
4088 r"""_set_from_binary(SubsetMover self, PyObject * p)"""
4089 return _IMP_core.SubsetMover__set_from_binary(self, p)
4091 def __getstate__(self):
4092 p = self._get_as_binary()
4093 if len(self.__dict__) > 1:
4094 d = self.__dict__.copy()
4099 def __setstate__(self, p):
4100 if not hasattr(self,
'this'):
4102 if isinstance(p, tuple):
4104 self.__dict__.update(d)
4105 return self._set_from_binary(p)
4109 _IMP_core.SubsetMover_swigregister(SubsetMover)
4110 class DirectionMover(MonteCarloMover):
4111 r"""Proxy of C++ IMP::core::DirectionMover class."""
4113 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4115 def __init__(self, *args):
4117 __init__(DirectionMover self, Model m, ParticleIndex pi, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4118 __init__(DirectionMover self, Direction d, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4119 __init__(DirectionMover self) -> DirectionMover
4121 _IMP_core.DirectionMover_swiginit(self, _IMP_core.new_DirectionMover(*args))
4123 def set_maximum_rotation(self, mr):
4124 r"""set_maximum_rotation(DirectionMover self, IMP::Float mr)"""
4125 return _IMP_core.DirectionMover_set_maximum_rotation(self, mr)
4127 def set_reflect_probability(self, rp):
4128 r"""set_reflect_probability(DirectionMover self, IMP::Float rp)"""
4129 return _IMP_core.DirectionMover_set_reflect_probability(self, rp)
4131 def get_maximum_rotation(self):
4132 r"""get_maximum_rotation(DirectionMover self) -> IMP::Float"""
4133 return _IMP_core.DirectionMover_get_maximum_rotation(self)
4135 def get_reflect_probability(self):
4136 r"""get_reflect_probability(DirectionMover self) -> IMP::Float"""
4137 return _IMP_core.DirectionMover_get_reflect_probability(self)
4139 def get_direction(self):
4140 r"""get_direction(DirectionMover self) -> Direction"""
4141 return _IMP_core.DirectionMover_get_direction(self)
4143 def get_version_info(self):
4144 r"""get_version_info(DirectionMover self) -> VersionInfo"""
4145 return _IMP_core.DirectionMover_get_version_info(self)
4146 __swig_destroy__ = _IMP_core.delete_DirectionMover
4149 r"""__str__(DirectionMover self) -> std::string"""
4150 return _IMP_core.DirectionMover___str__(self)
4153 r"""__repr__(DirectionMover self) -> std::string"""
4154 return _IMP_core.DirectionMover___repr__(self)
4158 return _object_cast_to_DirectionMover(o)
4161 def _get_as_binary(self):
4162 r"""_get_as_binary(DirectionMover self) -> PyObject *"""
4163 return _IMP_core.DirectionMover__get_as_binary(self)
4165 def _set_from_binary(self, p):
4166 r"""_set_from_binary(DirectionMover self, PyObject * p)"""
4167 return _IMP_core.DirectionMover__set_from_binary(self, p)
4169 def __getstate__(self):
4170 p = self._get_as_binary()
4171 if len(self.__dict__) > 1:
4172 d = self.__dict__.copy()
4177 def __setstate__(self, p):
4178 if not hasattr(self,
'this'):
4180 if isinstance(p, tuple):
4182 self.__dict__.update(d)
4183 return self._set_from_binary(p)
4187 _IMP_core.DirectionMover_swigregister(DirectionMover)
4188 class SurfaceMover(MonteCarloMover):
4189 r"""Proxy of C++ IMP::core::SurfaceMover class."""
4191 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4193 def __init__(self, *args):
4195 __init__(SurfaceMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4196 __init__(SurfaceMover self, Surface s, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4197 __init__(SurfaceMover self) -> SurfaceMover
4199 _IMP_core.SurfaceMover_swiginit(self, _IMP_core.new_SurfaceMover(*args))
4201 def set_maximum_translation(self, mt):
4202 r"""set_maximum_translation(SurfaceMover self, IMP::Float mt)"""
4203 return _IMP_core.SurfaceMover_set_maximum_translation(self, mt)
4205 def set_maximum_rotation(self, mr):
4206 r"""set_maximum_rotation(SurfaceMover self, IMP::Float mr)"""
4207 return _IMP_core.SurfaceMover_set_maximum_rotation(self, mr)
4209 def set_reflect_probability(self, rp):
4210 r"""set_reflect_probability(SurfaceMover self, IMP::Float rp)"""
4211 return _IMP_core.SurfaceMover_set_reflect_probability(self, rp)
4213 def get_maximum_translation(self):
4214 r"""get_maximum_translation(SurfaceMover self) -> IMP::Float"""
4215 return _IMP_core.SurfaceMover_get_maximum_translation(self)
4217 def get_maximum_rotation(self):
4218 r"""get_maximum_rotation(SurfaceMover self) -> IMP::Float"""
4219 return _IMP_core.SurfaceMover_get_maximum_rotation(self)
4221 def get_reflect_probability(self):
4222 r"""get_reflect_probability(SurfaceMover self) -> IMP::Float"""
4223 return _IMP_core.SurfaceMover_get_reflect_probability(self)
4225 def get_surface(self):
4226 r"""get_surface(SurfaceMover self) -> Surface"""
4227 return _IMP_core.SurfaceMover_get_surface(self)
4229 def get_version_info(self):
4230 r"""get_version_info(SurfaceMover self) -> VersionInfo"""
4231 return _IMP_core.SurfaceMover_get_version_info(self)
4232 __swig_destroy__ = _IMP_core.delete_SurfaceMover
4235 r"""__str__(SurfaceMover self) -> std::string"""
4236 return _IMP_core.SurfaceMover___str__(self)
4239 r"""__repr__(SurfaceMover self) -> std::string"""
4240 return _IMP_core.SurfaceMover___repr__(self)
4244 return _object_cast_to_SurfaceMover(o)
4247 def _get_as_binary(self):
4248 r"""_get_as_binary(SurfaceMover self) -> PyObject *"""
4249 return _IMP_core.SurfaceMover__get_as_binary(self)
4251 def _set_from_binary(self, p):
4252 r"""_set_from_binary(SurfaceMover self, PyObject * p)"""
4253 return _IMP_core.SurfaceMover__set_from_binary(self, p)
4255 def __getstate__(self):
4256 p = self._get_as_binary()
4257 if len(self.__dict__) > 1:
4258 d = self.__dict__.copy()
4263 def __setstate__(self, p):
4264 if not hasattr(self,
'this'):
4266 if isinstance(p, tuple):
4268 self.__dict__.update(d)
4269 return self._set_from_binary(p)
4273 _IMP_core.SurfaceMover_swigregister(SurfaceMover)
4274 class BoxSweepClosePairsFinder(ClosePairsFinder):
4275 r"""Proxy of C++ IMP::core::BoxSweepClosePairsFinder class."""
4277 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4280 r"""__init__(BoxSweepClosePairsFinder self) -> BoxSweepClosePairsFinder"""
4281 _IMP_core.BoxSweepClosePairsFinder_swiginit(self, _IMP_core.new_BoxSweepClosePairsFinder())
4283 def get_close_pairs(self, *args):
4285 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4286 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4287 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
4288 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
4290 return _IMP_core.BoxSweepClosePairsFinder_get_close_pairs(self, *args)
4292 def do_get_inputs(self, m, pis):
4293 r"""do_get_inputs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4294 return _IMP_core.BoxSweepClosePairsFinder_do_get_inputs(self, m, pis)
4296 def get_version_info(self):
4297 r"""get_version_info(BoxSweepClosePairsFinder self) -> VersionInfo"""
4298 return _IMP_core.BoxSweepClosePairsFinder_get_version_info(self)
4299 __swig_destroy__ = _IMP_core.delete_BoxSweepClosePairsFinder
4302 r"""__str__(BoxSweepClosePairsFinder self) -> std::string"""
4303 return _IMP_core.BoxSweepClosePairsFinder___str__(self)
4306 r"""__repr__(BoxSweepClosePairsFinder self) -> std::string"""
4307 return _IMP_core.BoxSweepClosePairsFinder___repr__(self)
4311 return _object_cast_to_BoxSweepClosePairsFinder(o)
4315 _IMP_core.BoxSweepClosePairsFinder_swigregister(BoxSweepClosePairsFinder)
4317 r"""Proxy of C++ IMP::core::CentroidOfRefined class."""
4319 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4321 def __init__(self, *args):
4323 __init__(CentroidOfRefined self, Refiner r, FloatKey weight=IMP::FloatKey(), IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> CentroidOfRefined
4324 __init__(CentroidOfRefined self) -> CentroidOfRefined
4326 _IMP_core.CentroidOfRefined_swiginit(self, _IMP_core.new_CentroidOfRefined(*args))
4328 def get_refiner(self):
4329 r"""get_refiner(CentroidOfRefined self) -> Refiner"""
4330 return _IMP_core.CentroidOfRefined_get_refiner(self)
4332 def get_weight(self):
4333 r"""get_weight(CentroidOfRefined self) -> FloatKey"""
4334 return _IMP_core.CentroidOfRefined_get_weight(self)
4337 r"""get_keys(CentroidOfRefined self) -> IMP::FloatKeys"""
4338 return _IMP_core.CentroidOfRefined_get_keys(self)
4340 def get_is_weight_null(self):
4341 r"""get_is_weight_null(CentroidOfRefined self) -> bool"""
4342 return _IMP_core.CentroidOfRefined_get_is_weight_null(self)
4344 def do_get_inputs(self, m, pis):
4345 r"""do_get_inputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4346 return _IMP_core.CentroidOfRefined_do_get_inputs(self, m, pis)
4348 def do_get_outputs(self, m, pis):
4349 r"""do_get_outputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4350 return _IMP_core.CentroidOfRefined_do_get_outputs(self, m, pis)
4352 def get_version_info(self):
4353 r"""get_version_info(CentroidOfRefined self) -> VersionInfo"""
4354 return _IMP_core.CentroidOfRefined_get_version_info(self)
4355 __swig_destroy__ = _IMP_core.delete_CentroidOfRefined
4358 r"""__str__(CentroidOfRefined self) -> std::string"""
4359 return _IMP_core.CentroidOfRefined___str__(self)
4362 r"""__repr__(CentroidOfRefined self) -> std::string"""
4363 return _IMP_core.CentroidOfRefined___repr__(self)
4367 return _object_cast_to_CentroidOfRefined(o)
4370 def _get_as_binary(self):
4371 r"""_get_as_binary(CentroidOfRefined self) -> PyObject *"""
4372 return _IMP_core.CentroidOfRefined__get_as_binary(self)
4374 def _set_from_binary(self, p):
4375 r"""_set_from_binary(CentroidOfRefined self, PyObject * p)"""
4376 return _IMP_core.CentroidOfRefined__set_from_binary(self, p)
4378 def __getstate__(self):
4379 p = self._get_as_binary()
4380 if len(self.__dict__) > 1:
4381 d = self.__dict__.copy()
4386 def __setstate__(self, p):
4387 if not hasattr(self,
'this'):
4389 if isinstance(p, tuple):
4391 self.__dict__.update(d)
4392 return self._set_from_binary(p)
4395 def _get_jax(self, m, indexes):
4396 import jax.numpy
as jnp
4399 for index
in indexes]
4401 def apply_func_unweighted(jm):
4402 for ind, ref
in zip(indexes, refined):
4404 jm[
'xyz'] = xyz.at[ind].set(jnp.average(xyz[ref], axis=0))
4407 def apply_func_weighted(jm, weight_key):
4408 for ind, ref
in zip(indexes, refined):
4410 weights = jm[weight_key][ref]
4411 jm[
'xyz'] = xyz.at[ind].set(
4412 jnp.average(xyz[ref], axis=0, weights=weights))
4415 keys = frozenset(self.get_keys())
4417 raise NotImplementedError(
"Only works for XYZ")
4419 if self.get_is_weight_null():
4420 return self._wrap_jax(apply_func_unweighted)
4422 weight_key = self.get_weight()
4423 return self._wrap_jax(
4424 functools.partial(apply_func_weighted,
4425 weight_key=weight_key.get_string()),
4430 _IMP_core.CentroidOfRefined_swigregister(CentroidOfRefined)
4431 class Centroid(XYZ):
4432 r"""Proxy of C++ IMP::core::Centroid class."""
4434 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4436 def get_constraint(self):
4437 r"""get_constraint(Centroid self) -> Constraint"""
4438 return _IMP_core.Centroid_get_constraint(self)
4440 def __init__(self, *args):
4442 __init__(Centroid self) -> Centroid
4443 __init__(Centroid self, Model m, ParticleIndex id) -> Centroid
4444 __init__(Centroid self, _ParticleAdaptor d) -> Centroid
4446 _IMP_core.Centroid_swiginit(self, _IMP_core.new_Centroid(*args))
4448 def show(self, *args):
4449 r"""show(Centroid self, _ostream out=std::cout)"""
4450 return _IMP_core.Centroid_show(self, *args)
4453 def setup_particle(*args):
4455 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Centroid
4456 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Centroid
4457 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Centroid
4458 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Centroid
4460 return _IMP_core.Centroid_setup_particle(*args)
4463 def get_is_setup(*args):
4465 get_is_setup(_ParticleAdaptor p) -> bool
4466 get_is_setup(Model m, ParticleIndex pi) -> bool
4468 return _IMP_core.Centroid_get_is_setup(*args)
4470 def add_attribute(self, *args):
4472 add_attribute(Centroid self, FloatKey k, IMP::Float v, bool opt)
4473 add_attribute(Centroid self, FloatKey a0, IMP::Float a1)
4474 add_attribute(Centroid self, IntKey a0, IMP::Int a1)
4475 add_attribute(Centroid self, FloatsKey a0, IMP::Floats a1)
4476 add_attribute(Centroid self, IntsKey a0, IMP::Ints a1)
4477 add_attribute(Centroid self, StringKey a0, IMP::String a1)
4478 add_attribute(Centroid self, ParticleIndexKey a0, Particle a1)
4479 add_attribute(Centroid self, ObjectKey a0, Object a1)
4480 add_attribute(Centroid self, SparseFloatKey a0, IMP::Float a1)
4481 add_attribute(Centroid self, SparseIntKey a0, IMP::Int a1)
4482 add_attribute(Centroid self, SparseStringKey a0, IMP::String a1)
4483 add_attribute(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4485 return _IMP_core.Centroid_add_attribute(self, *args)
4487 def get_value(self, *args):
4489 get_value(Centroid self, FloatKey a0) -> IMP::Float
4490 get_value(Centroid self, IntKey a0) -> IMP::Int
4491 get_value(Centroid self, FloatsKey a0) -> IMP::Floats
4492 get_value(Centroid self, IntsKey a0) -> IMP::Ints
4493 get_value(Centroid self, StringKey a0) -> IMP::String
4494 get_value(Centroid self, ParticleIndexKey a0) -> Particle
4495 get_value(Centroid self, ObjectKey a0) -> Object
4496 get_value(Centroid self, SparseFloatKey a0) -> IMP::Float
4497 get_value(Centroid self, SparseIntKey a0) -> IMP::Int
4498 get_value(Centroid self, SparseStringKey a0) -> IMP::String
4499 get_value(Centroid self, SparseParticleIndexKey a0) -> ParticleIndex
4501 return _IMP_core.Centroid_get_value(self, *args)
4503 def set_value(self, *args):
4505 set_value(Centroid self, FloatKey a0, IMP::Float a1)
4506 set_value(Centroid self, IntKey a0, IMP::Int a1)
4507 set_value(Centroid self, FloatsKey a0, IMP::Floats a1)
4508 set_value(Centroid self, IntsKey a0, IMP::Ints a1)
4509 set_value(Centroid self, StringKey a0, IMP::String a1)
4510 set_value(Centroid self, ParticleIndexKey a0, Particle a1)
4511 set_value(Centroid self, ObjectKey a0, Object a1)
4512 set_value(Centroid self, SparseFloatKey a0, IMP::Float a1)
4513 set_value(Centroid self, SparseIntKey a0, IMP::Int a1)
4514 set_value(Centroid self, SparseStringKey a0, IMP::String a1)
4515 set_value(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4517 return _IMP_core.Centroid_set_value(self, *args)
4519 def remove_attribute(self, *args):
4521 remove_attribute(Centroid self, FloatKey a0)
4522 remove_attribute(Centroid self, IntKey a0)
4523 remove_attribute(Centroid self, FloatsKey a0)
4524 remove_attribute(Centroid self, IntsKey a0)
4525 remove_attribute(Centroid self, StringKey a0)
4526 remove_attribute(Centroid self, ParticleIndexKey a0)
4527 remove_attribute(Centroid self, ObjectKey a0)
4528 remove_attribute(Centroid self, SparseFloatKey a0)
4529 remove_attribute(Centroid self, SparseIntKey a0)
4530 remove_attribute(Centroid self, SparseStringKey a0)
4531 remove_attribute(Centroid self, SparseParticleIndexKey a0)
4533 return _IMP_core.Centroid_remove_attribute(self, *args)
4535 def has_attribute(self, *args):
4537 has_attribute(Centroid self, FloatKey a0) -> bool
4538 has_attribute(Centroid self, IntKey a0) -> bool
4539 has_attribute(Centroid self, FloatsKey a0) -> bool
4540 has_attribute(Centroid self, IntsKey a0) -> bool
4541 has_attribute(Centroid self, StringKey a0) -> bool
4542 has_attribute(Centroid self, ParticleIndexKey a0) -> bool
4543 has_attribute(Centroid self, ObjectKey a0) -> bool
4544 has_attribute(Centroid self, SparseFloatKey a0) -> bool
4545 has_attribute(Centroid self, SparseIntKey a0) -> bool
4546 has_attribute(Centroid self, SparseStringKey a0) -> bool
4547 has_attribute(Centroid self, SparseParticleIndexKey a0) -> bool
4549 return _IMP_core.Centroid_has_attribute(self, *args)
4551 def get_derivative(self, a0):
4552 r"""get_derivative(Centroid self, FloatKey a0) -> double"""
4553 return _IMP_core.Centroid_get_derivative(self, a0)
4556 r"""get_name(Centroid self) -> std::string"""
4557 return _IMP_core.Centroid_get_name(self)
4559 def clear_caches(self):
4560 r"""clear_caches(Centroid self)"""
4561 return _IMP_core.Centroid_clear_caches(self)
4563 def set_name(self, a0):
4564 r"""set_name(Centroid self, std::string a0)"""
4565 return _IMP_core.Centroid_set_name(self, a0)
4568 r"""set_check_level(Centroid self, IMP::CheckLevel a0)"""
4569 return _IMP_core.Centroid_set_check_level(self, a0)
4571 def add_to_derivative(self, a0, a1, a2):
4572 r"""add_to_derivative(Centroid self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4573 return _IMP_core.Centroid_add_to_derivative(self, a0, a1, a2)
4575 def set_is_optimized(self, a0, a1):
4576 r"""set_is_optimized(Centroid self, FloatKey a0, bool a1)"""
4577 return _IMP_core.Centroid_set_is_optimized(self, a0, a1)
4579 def get_is_optimized(self, a0):
4580 r"""get_is_optimized(Centroid self, FloatKey a0) -> bool"""
4581 return _IMP_core.Centroid_get_is_optimized(self, a0)
4584 r"""get_check_level(Centroid self) -> IMP::CheckLevel"""
4585 return _IMP_core.Centroid_get_check_level(self)
4587 def __eq__(self, *args):
4589 __eq__(Centroid self, Centroid o) -> bool
4590 __eq__(Centroid self, Particle d) -> bool
4592 return _IMP_core.Centroid___eq__(self, *args)
4594 def __ne__(self, *args):
4596 __ne__(Centroid self, Centroid o) -> bool
4597 __ne__(Centroid self, Particle d) -> bool
4599 return _IMP_core.Centroid___ne__(self, *args)
4601 def __le__(self, *args):
4603 __le__(Centroid self, Centroid o) -> bool
4604 __le__(Centroid self, Particle d) -> bool
4606 return _IMP_core.Centroid___le__(self, *args)
4608 def __lt__(self, *args):
4610 __lt__(Centroid self, Centroid o) -> bool
4611 __lt__(Centroid self, Particle d) -> bool
4613 return _IMP_core.Centroid___lt__(self, *args)
4615 def __ge__(self, *args):
4617 __ge__(Centroid self, Centroid o) -> bool
4618 __ge__(Centroid self, Particle d) -> bool
4620 return _IMP_core.Centroid___ge__(self, *args)
4622 def __gt__(self, *args):
4624 __gt__(Centroid self, Centroid o) -> bool
4625 __gt__(Centroid self, Particle d) -> bool
4627 return _IMP_core.Centroid___gt__(self, *args)
4630 r"""__hash__(Centroid self) -> std::size_t"""
4631 return _IMP_core.Centroid___hash__(self)
4634 r"""__str__(Centroid self) -> std::string"""
4635 return _IMP_core.Centroid___str__(self)
4638 r"""__repr__(Centroid self) -> std::string"""
4639 return _IMP_core.Centroid___repr__(self)
4641 def _get_as_binary(self):
4642 r"""_get_as_binary(Centroid self) -> PyObject *"""
4643 return _IMP_core.Centroid__get_as_binary(self)
4645 def _set_from_binary(self, p):
4646 r"""_set_from_binary(Centroid self, PyObject * p)"""
4647 return _IMP_core.Centroid__set_from_binary(self, p)
4649 def __getstate__(self):
4650 p = self._get_as_binary()
4651 if len(self.__dict__) > 1:
4652 d = self.__dict__.copy()
4657 def __setstate__(self, p):
4658 if not hasattr(self,
'this'):
4660 if isinstance(p, tuple):
4662 self.__dict__.update(d)
4663 return self._set_from_binary(p)
4665 __swig_destroy__ = _IMP_core.delete_Centroid
4668 _IMP_core.Centroid_swigregister(Centroid)
4670 r"""Proxy of C++ IMP::core::ChecksScoreState class."""
4672 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4674 def __init__(self, *args):
4676 __init__(ChecksScoreState self, Model m, double probability) -> ChecksScoreState
4677 __init__(ChecksScoreState self) -> ChecksScoreState
4679 _IMP_core.ChecksScoreState_swiginit(self, _IMP_core.new_ChecksScoreState(*args))
4681 def get_number_of_checked(self):
4682 r"""get_number_of_checked(ChecksScoreState self) -> unsigned int"""
4683 return _IMP_core.ChecksScoreState_get_number_of_checked(self)
4685 def do_before_evaluate(self):
4686 r"""do_before_evaluate(ChecksScoreState self)"""
4687 return _IMP_core.ChecksScoreState_do_before_evaluate(self)
4689 def do_after_evaluate(self, da):
4690 r"""do_after_evaluate(ChecksScoreState self, DerivativeAccumulator da)"""
4691 return _IMP_core.ChecksScoreState_do_after_evaluate(self, da)
4693 def do_get_outputs(self):
4694 r"""do_get_outputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4695 return _IMP_core.ChecksScoreState_do_get_outputs(self)
4697 def do_get_inputs(self):
4698 r"""do_get_inputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4699 return _IMP_core.ChecksScoreState_do_get_inputs(self)
4701 def get_version_info(self):
4702 r"""get_version_info(ChecksScoreState self) -> VersionInfo"""
4703 return _IMP_core.ChecksScoreState_get_version_info(self)
4704 __swig_destroy__ = _IMP_core.delete_ChecksScoreState
4707 r"""__str__(ChecksScoreState self) -> std::string"""
4708 return _IMP_core.ChecksScoreState___str__(self)
4711 r"""__repr__(ChecksScoreState self) -> std::string"""
4712 return _IMP_core.ChecksScoreState___repr__(self)
4716 return _object_cast_to_ChecksScoreState(o)
4719 def _get_as_binary(self):
4720 r"""_get_as_binary(ChecksScoreState self) -> PyObject *"""
4721 return _IMP_core.ChecksScoreState__get_as_binary(self)
4723 def _set_from_binary(self, p):
4724 r"""_set_from_binary(ChecksScoreState self, PyObject * p)"""
4725 return _IMP_core.ChecksScoreState__set_from_binary(self, p)
4727 def __getstate__(self):
4728 p = self._get_as_binary()
4729 if len(self.__dict__) > 1:
4730 d = self.__dict__.copy()
4735 def __setstate__(self, p):
4736 if not hasattr(self,
'this'):
4738 if isinstance(p, tuple):
4740 self.__dict__.update(d)
4741 return self._set_from_binary(p)
4745 _IMP_core.ChecksScoreState_swigregister(ChecksScoreState)
4747 r"""Proxy of C++ IMP::core::ChildrenRefiner class."""
4749 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4751 def __init__(self, tr):
4752 r"""__init__(ChildrenRefiner self, HierarchyTraits tr) -> ChildrenRefiner"""
4753 _IMP_core.ChildrenRefiner_swiginit(self, _IMP_core.new_ChildrenRefiner(tr))
4755 def do_get_inputs(self, m, pis):
4756 r"""do_get_inputs(ChildrenRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4757 return _IMP_core.ChildrenRefiner_do_get_inputs(self, m, pis)
4759 def get_version_info(self):
4760 r"""get_version_info(ChildrenRefiner self) -> VersionInfo"""
4761 return _IMP_core.ChildrenRefiner_get_version_info(self)
4762 __swig_destroy__ = _IMP_core.delete_ChildrenRefiner
4765 r"""__str__(ChildrenRefiner self) -> std::string"""
4766 return _IMP_core.ChildrenRefiner___str__(self)
4769 r"""__repr__(ChildrenRefiner self) -> std::string"""
4770 return _IMP_core.ChildrenRefiner___repr__(self)
4774 return _object_cast_to_ChildrenRefiner(o)
4778 _IMP_core.ChildrenRefiner_swigregister(ChildrenRefiner)
4780 r"""Proxy of C++ IMP::core::ClosedCubicSpline class."""
4782 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4784 def __init__(self, values, minrange, spacing):
4785 r"""__init__(ClosedCubicSpline self, IMP::Floats const & values, double minrange, double spacing) -> ClosedCubicSpline"""
4786 _IMP_core.ClosedCubicSpline_swiginit(self, _IMP_core.new_ClosedCubicSpline(values, minrange, spacing))
4788 def get_version_info(self):
4789 r"""get_version_info(ClosedCubicSpline self) -> VersionInfo"""
4790 return _IMP_core.ClosedCubicSpline_get_version_info(self)
4791 __swig_destroy__ = _IMP_core.delete_ClosedCubicSpline
4793 def do_show(self, out):
4794 r"""do_show(ClosedCubicSpline self, _ostream out)"""
4795 return _IMP_core.ClosedCubicSpline_do_show(self, out)
4797 def get_minrange(self):
4798 r"""get_minrange(ClosedCubicSpline self) -> IMP::Float"""
4799 return _IMP_core.ClosedCubicSpline_get_minrange(self)
4801 def get_spacing(self):
4802 r"""get_spacing(ClosedCubicSpline self) -> IMP::Float"""
4803 return _IMP_core.ClosedCubicSpline_get_spacing(self)
4805 def get_values(self):
4806 r"""get_values(ClosedCubicSpline self) -> IMP::Floats"""
4807 return _IMP_core.ClosedCubicSpline_get_values(self)
4809 def get_second_derivatives(self):
4810 r"""get_second_derivatives(ClosedCubicSpline self) -> IMP::Floats"""
4811 return _IMP_core.ClosedCubicSpline_get_second_derivatives(self)
4814 r"""__str__(ClosedCubicSpline self) -> std::string"""
4815 return _IMP_core.ClosedCubicSpline___str__(self)
4818 r"""__repr__(ClosedCubicSpline self) -> std::string"""
4819 return _IMP_core.ClosedCubicSpline___repr__(self)
4823 return _object_cast_to_ClosedCubicSpline(o)
4827 import jax.numpy
as jnp
4828 from IMP.core._jax_util
import _spline
4829 def score(feature, minrange, spacing, values, second_derivs):
4831 lowbin = jnp.array((feature - minrange) / spacing, dtype=int)
4833 highbin = jnp.remainder(lowbin + 1, len(values))
4834 return _spline(feature, minrange, lowbin, highbin, spacing,
4835 values, second_derivs)
4836 return functools.partial(
4837 score, minrange=self.get_minrange(),
4838 spacing=self.get_spacing(), values=jnp.asarray(self.get_values()),
4839 second_derivs=jnp.asarray(self.get_second_derivatives()))
4843 _IMP_core.ClosedCubicSpline_swigregister(ClosedCubicSpline)
4845 r"""Proxy of C++ IMP::core::KClosePairsPairScore class."""
4847 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4849 def __init__(self, f, r, k=1):
4850 r"""__init__(KClosePairsPairScore self, PairScore f, Refiner r, int k=1) -> KClosePairsPairScore"""
4851 _IMP_core.KClosePairsPairScore_swiginit(self, _IMP_core.new_KClosePairsPairScore(f, r, k))
4853 def get_close_pairs(self, pp):
4854 r"""get_close_pairs(KClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
4855 return _IMP_core.KClosePairsPairScore_get_close_pairs(self, pp)
4857 def create_current_decomposition(self, m, vt):
4858 r"""create_current_decomposition(KClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
4859 return _IMP_core.KClosePairsPairScore_create_current_decomposition(self, m, vt)
4861 def do_get_inputs(self, m, pis):
4862 r"""do_get_inputs(KClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4863 return _IMP_core.KClosePairsPairScore_do_get_inputs(self, m, pis)
4865 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4866 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"""
4867 return _IMP_core.KClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4869 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4870 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"""
4871 return _IMP_core.KClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4873 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4874 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"""
4875 return _IMP_core.KClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4877 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4878 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"""
4879 return _IMP_core.KClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4881 def get_version_info(self):
4882 r"""get_version_info(KClosePairsPairScore self) -> VersionInfo"""
4883 return _IMP_core.KClosePairsPairScore_get_version_info(self)
4884 __swig_destroy__ = _IMP_core.delete_KClosePairsPairScore
4887 r"""__str__(KClosePairsPairScore self) -> std::string"""
4888 return _IMP_core.KClosePairsPairScore___str__(self)
4891 r"""__repr__(KClosePairsPairScore self) -> std::string"""
4892 return _IMP_core.KClosePairsPairScore___repr__(self)
4896 return _object_cast_to_KClosePairsPairScore(o)
4900 _IMP_core.KClosePairsPairScore_swigregister(KClosePairsPairScore)
4902 r"""Proxy of C++ IMP::core::ClosePairsPairScore class."""
4904 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4906 def __init__(self, f, r, max_distance):
4907 r"""__init__(ClosePairsPairScore self, PairScore f, Refiner r, IMP::Float max_distance) -> ClosePairsPairScore"""
4908 _IMP_core.ClosePairsPairScore_swiginit(self, _IMP_core.new_ClosePairsPairScore(f, r, max_distance))
4910 def get_close_pairs(self, pp):
4911 r"""get_close_pairs(ClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
4912 return _IMP_core.ClosePairsPairScore_get_close_pairs(self, pp)
4914 def create_current_decomposition(self, m, vt):
4915 r"""create_current_decomposition(ClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
4916 return _IMP_core.ClosePairsPairScore_create_current_decomposition(self, m, vt)
4918 def do_get_inputs(self, m, pis):
4919 r"""do_get_inputs(ClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4920 return _IMP_core.ClosePairsPairScore_do_get_inputs(self, m, pis)
4922 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4923 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"""
4924 return _IMP_core.ClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4926 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4927 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"""
4928 return _IMP_core.ClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4930 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4931 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"""
4932 return _IMP_core.ClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4934 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4935 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"""
4936 return _IMP_core.ClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4938 def get_version_info(self):
4939 r"""get_version_info(ClosePairsPairScore self) -> VersionInfo"""
4940 return _IMP_core.ClosePairsPairScore_get_version_info(self)
4941 __swig_destroy__ = _IMP_core.delete_ClosePairsPairScore
4944 r"""__str__(ClosePairsPairScore self) -> std::string"""
4945 return _IMP_core.ClosePairsPairScore___str__(self)
4948 r"""__repr__(ClosePairsPairScore self) -> std::string"""
4949 return _IMP_core.ClosePairsPairScore___repr__(self)
4953 return _object_cast_to_ClosePairsPairScore(o)
4957 _IMP_core.ClosePairsPairScore_swigregister(ClosePairsPairScore)
4959 r"""Proxy of C++ IMP::core::ConjugateGradients class."""
4961 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4963 def __init__(self, *args):
4965 __init__(ConjugateGradients self, Model m, std::string name="ConjugateGradients%1%") -> ConjugateGradients
4966 __init__(ConjugateGradients self) -> ConjugateGradients
4968 _IMP_core.ConjugateGradients_swiginit(self, _IMP_core.new_ConjugateGradients(*args))
4970 def set_gradient_threshold(self, t):
4971 r"""set_gradient_threshold(ConjugateGradients self, IMP::Float t)"""
4972 return _IMP_core.ConjugateGradients_set_gradient_threshold(self, t)
4974 def set_max_change(self, t):
4975 r"""set_max_change(ConjugateGradients self, IMP::Float t)"""
4976 return _IMP_core.ConjugateGradients_set_max_change(self, t)
4978 def do_optimize(self, max_steps):
4979 r"""do_optimize(ConjugateGradients self, unsigned int max_steps) -> IMP::Float"""
4980 return _IMP_core.ConjugateGradients_do_optimize(self, max_steps)
4982 def get_version_info(self):
4983 r"""get_version_info(ConjugateGradients self) -> VersionInfo"""
4984 return _IMP_core.ConjugateGradients_get_version_info(self)
4985 __swig_destroy__ = _IMP_core.delete_ConjugateGradients
4988 r"""__str__(ConjugateGradients self) -> std::string"""
4989 return _IMP_core.ConjugateGradients___str__(self)
4992 r"""__repr__(ConjugateGradients self) -> std::string"""
4993 return _IMP_core.ConjugateGradients___repr__(self)
4997 return _object_cast_to_ConjugateGradients(o)
5000 def _get_as_binary(self):
5001 r"""_get_as_binary(ConjugateGradients self) -> PyObject *"""
5002 return _IMP_core.ConjugateGradients__get_as_binary(self)
5004 def _set_from_binary(self, p):
5005 r"""_set_from_binary(ConjugateGradients self, PyObject * p)"""
5006 return _IMP_core.ConjugateGradients__set_from_binary(self, p)
5008 def __getstate__(self):
5009 p = self._get_as_binary()
5010 if len(self.__dict__) > 1:
5011 d = self.__dict__.copy()
5016 def __setstate__(self, p):
5017 if not hasattr(self,
'this'):
5019 if isinstance(p, tuple):
5021 self.__dict__.update(d)
5022 return self._set_from_binary(p)
5026 _IMP_core.ConjugateGradients_swigregister(ConjugateGradients)
5028 r"""Proxy of C++ IMP::core::ConnectivityRestraint class."""
5030 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5032 def __init__(self, ps, sc):
5033 r"""__init__(ConnectivityRestraint self, PairScore ps, _SingletonContainerAdaptor sc) -> ConnectivityRestraint"""
5034 _IMP_core.ConnectivityRestraint_swiginit(self, _IMP_core.new_ConnectivityRestraint(ps, sc))
5036 def get_connected_index_pairs(self):
5037 r"""get_connected_index_pairs(ConnectivityRestraint self) -> IMP::ParticleIndexPairs"""
5038 return _IMP_core.ConnectivityRestraint_get_connected_index_pairs(self)
5040 def get_pair_score(self):
5041 r"""get_pair_score(ConnectivityRestraint self) -> PairScore"""
5042 return _IMP_core.ConnectivityRestraint_get_pair_score(self)
5044 def do_create_current_decomposition(self):
5045 r"""do_create_current_decomposition(ConnectivityRestraint self) -> IMP::Restraints"""
5046 return _IMP_core.ConnectivityRestraint_do_create_current_decomposition(self)
5048 def do_get_inputs(self):
5049 r"""do_get_inputs(ConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
5050 return _IMP_core.ConnectivityRestraint_do_get_inputs(self)
5052 def get_version_info(self):
5053 r"""get_version_info(ConnectivityRestraint self) -> VersionInfo"""
5054 return _IMP_core.ConnectivityRestraint_get_version_info(self)
5055 __swig_destroy__ = _IMP_core.delete_ConnectivityRestraint
5058 r"""__str__(ConnectivityRestraint self) -> std::string"""
5059 return _IMP_core.ConnectivityRestraint___str__(self)
5062 r"""__repr__(ConnectivityRestraint self) -> std::string"""
5063 return _IMP_core.ConnectivityRestraint___repr__(self)
5067 return _object_cast_to_ConnectivityRestraint(o)
5071 _IMP_core.ConnectivityRestraint_swigregister(ConnectivityRestraint)
5073 r"""Proxy of C++ IMP::core::ConstantRestraint class."""
5075 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5077 def __init__(self, *args):
5079 __init__(ConstantRestraint self, Model m, IMP::Float v) -> ConstantRestraint
5080 __init__(ConstantRestraint self) -> ConstantRestraint
5082 _IMP_core.ConstantRestraint_swiginit(self, _IMP_core.new_ConstantRestraint(*args))
5084 def do_get_inputs(self):
5085 r"""do_get_inputs(ConstantRestraint self) -> IMP::ModelObjectsTemp"""
5086 return _IMP_core.ConstantRestraint_do_get_inputs(self)
5088 def get_version_info(self):
5089 r"""get_version_info(ConstantRestraint self) -> VersionInfo"""
5090 return _IMP_core.ConstantRestraint_get_version_info(self)
5091 __swig_destroy__ = _IMP_core.delete_ConstantRestraint
5094 r"""__str__(ConstantRestraint self) -> std::string"""
5095 return _IMP_core.ConstantRestraint___str__(self)
5098 r"""__repr__(ConstantRestraint self) -> std::string"""
5099 return _IMP_core.ConstantRestraint___repr__(self)
5103 return _object_cast_to_ConstantRestraint(o)
5106 def _get_as_binary(self):
5107 r"""_get_as_binary(ConstantRestraint self) -> PyObject *"""
5108 return _IMP_core.ConstantRestraint__get_as_binary(self)
5110 def _set_from_binary(self, p):
5111 r"""_set_from_binary(ConstantRestraint self, PyObject * p)"""
5112 return _IMP_core.ConstantRestraint__set_from_binary(self, p)
5114 def __getstate__(self):
5115 p = self._get_as_binary()
5116 if len(self.__dict__) > 1:
5117 d = self.__dict__.copy()
5122 def __setstate__(self, p):
5123 if not hasattr(self,
'this'):
5125 if isinstance(p, tuple):
5127 self.__dict__.update(d)
5128 return self._set_from_binary(p)
5132 _IMP_core.ConstantRestraint_swigregister(ConstantRestraint)
5134 r"""Proxy of C++ IMP::core::Cosine class."""
5136 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5138 def __init__(self, *args):
5140 __init__(Cosine self, IMP::Float force_constant, int periodicity, IMP::Float phase) -> Cosine
5141 __init__(Cosine self) -> Cosine
5143 _IMP_core.Cosine_swiginit(self, _IMP_core.new_Cosine(*args))
5145 def get_force_constant(self):
5146 r"""get_force_constant(Cosine self) -> IMP::Float"""
5147 return _IMP_core.Cosine_get_force_constant(self)
5149 def get_periodicity(self):
5150 r"""get_periodicity(Cosine self) -> int"""
5151 return _IMP_core.Cosine_get_periodicity(self)
5153 def get_phase(self):
5154 r"""get_phase(Cosine self) -> IMP::Float"""
5155 return _IMP_core.Cosine_get_phase(self)
5157 def get_version_info(self):
5158 r"""get_version_info(Cosine self) -> VersionInfo"""
5159 return _IMP_core.Cosine_get_version_info(self)
5160 __swig_destroy__ = _IMP_core.delete_Cosine
5162 def do_show(self, out):
5163 r"""do_show(Cosine self, _ostream out)"""
5164 return _IMP_core.Cosine_do_show(self, out)
5167 r"""__str__(Cosine self) -> std::string"""
5168 return _IMP_core.Cosine___str__(self)
5171 r"""__repr__(Cosine self) -> std::string"""
5172 return _IMP_core.Cosine___repr__(self)
5176 return _object_cast_to_Cosine(o)
5179 def _get_as_binary(self):
5180 r"""_get_as_binary(Cosine self) -> PyObject *"""
5181 return _IMP_core.Cosine__get_as_binary(self)
5183 def _set_from_binary(self, p):
5184 r"""_set_from_binary(Cosine self, PyObject * p)"""
5185 return _IMP_core.Cosine__set_from_binary(self, p)
5187 def __getstate__(self):
5188 p = self._get_as_binary()
5189 if len(self.__dict__) > 1:
5190 d = self.__dict__.copy()
5195 def __setstate__(self, p):
5196 if not hasattr(self,
'this'):
5198 if isinstance(p, tuple):
5200 self.__dict__.update(d)
5201 return self._set_from_binary(p)
5205 import jax.numpy
as jnp
5206 def score(val, k, period, phase):
5207 return jnp.abs(k) - k * jnp.cos(period * val + phase)
5208 return functools.partial(score, k=self.get_force_constant(),
5209 period=self.get_periodicity(),
5210 phase=self.get_phase())
5214 _IMP_core.Cosine_swigregister(Cosine)
5216 r"""Proxy of C++ IMP::core::CoverRefined class."""
5218 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5220 def __init__(self, ref, slack=0):
5221 r"""__init__(CoverRefined self, Refiner ref, IMP::Float slack=0) -> CoverRefined"""
5222 _IMP_core.CoverRefined_swiginit(self, _IMP_core.new_CoverRefined(ref, slack))
5224 def set_slack(self, slack):
5225 r"""set_slack(CoverRefined self, IMP::Float slack)"""
5226 return _IMP_core.CoverRefined_set_slack(self, slack)
5228 def do_get_inputs(self, m, pis):
5229 r"""do_get_inputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5230 return _IMP_core.CoverRefined_do_get_inputs(self, m, pis)
5232 def do_get_outputs(self, m, pis):
5233 r"""do_get_outputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5234 return _IMP_core.CoverRefined_do_get_outputs(self, m, pis)
5236 def get_version_info(self):
5237 r"""get_version_info(CoverRefined self) -> VersionInfo"""
5238 return _IMP_core.CoverRefined_get_version_info(self)
5239 __swig_destroy__ = _IMP_core.delete_CoverRefined
5242 r"""__str__(CoverRefined self) -> std::string"""
5243 return _IMP_core.CoverRefined___str__(self)
5246 r"""__repr__(CoverRefined self) -> std::string"""
5247 return _IMP_core.CoverRefined___repr__(self)
5251 return _object_cast_to_CoverRefined(o)
5255 _IMP_core.CoverRefined_swigregister(CoverRefined)
5257 r"""Proxy of C++ IMP::core::Cover class."""
5259 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5261 def get_constraint(self):
5262 r"""get_constraint(Cover self) -> Constraint"""
5263 return _IMP_core.Cover_get_constraint(self)
5265 def __init__(self, *args):
5267 __init__(Cover self) -> Cover
5268 __init__(Cover self, Model m, ParticleIndex id) -> Cover
5269 __init__(Cover self, _ParticleAdaptor d) -> Cover
5271 _IMP_core.Cover_swiginit(self, _IMP_core.new_Cover(*args))
5273 def show(self, *args):
5274 r"""show(Cover self, _ostream out=std::cout)"""
5275 return _IMP_core.Cover_show(self, *args)
5278 def setup_particle(*args):
5280 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Cover
5281 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Cover
5282 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Cover
5283 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Cover
5285 return _IMP_core.Cover_setup_particle(*args)
5288 def get_is_setup(*args):
5290 get_is_setup(_ParticleAdaptor p) -> bool
5291 get_is_setup(Model m, ParticleIndex pi) -> bool
5293 return _IMP_core.Cover_get_is_setup(*args)
5295 def add_attribute(self, *args):
5297 add_attribute(Cover self, FloatKey k, IMP::Float v, bool opt)
5298 add_attribute(Cover self, FloatKey a0, IMP::Float a1)
5299 add_attribute(Cover self, IntKey a0, IMP::Int a1)
5300 add_attribute(Cover self, FloatsKey a0, IMP::Floats a1)
5301 add_attribute(Cover self, IntsKey a0, IMP::Ints a1)
5302 add_attribute(Cover self, StringKey a0, IMP::String a1)
5303 add_attribute(Cover self, ParticleIndexKey a0, Particle a1)
5304 add_attribute(Cover self, ObjectKey a0, Object a1)
5305 add_attribute(Cover self, SparseFloatKey a0, IMP::Float a1)
5306 add_attribute(Cover self, SparseIntKey a0, IMP::Int a1)
5307 add_attribute(Cover self, SparseStringKey a0, IMP::String a1)
5308 add_attribute(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5310 return _IMP_core.Cover_add_attribute(self, *args)
5312 def get_value(self, *args):
5314 get_value(Cover self, FloatKey a0) -> IMP::Float
5315 get_value(Cover self, IntKey a0) -> IMP::Int
5316 get_value(Cover self, FloatsKey a0) -> IMP::Floats
5317 get_value(Cover self, IntsKey a0) -> IMP::Ints
5318 get_value(Cover self, StringKey a0) -> IMP::String
5319 get_value(Cover self, ParticleIndexKey a0) -> Particle
5320 get_value(Cover self, ObjectKey a0) -> Object
5321 get_value(Cover self, SparseFloatKey a0) -> IMP::Float
5322 get_value(Cover self, SparseIntKey a0) -> IMP::Int
5323 get_value(Cover self, SparseStringKey a0) -> IMP::String
5324 get_value(Cover self, SparseParticleIndexKey a0) -> ParticleIndex
5326 return _IMP_core.Cover_get_value(self, *args)
5328 def set_value(self, *args):
5330 set_value(Cover self, FloatKey a0, IMP::Float a1)
5331 set_value(Cover self, IntKey a0, IMP::Int a1)
5332 set_value(Cover self, FloatsKey a0, IMP::Floats a1)
5333 set_value(Cover self, IntsKey a0, IMP::Ints a1)
5334 set_value(Cover self, StringKey a0, IMP::String a1)
5335 set_value(Cover self, ParticleIndexKey a0, Particle a1)
5336 set_value(Cover self, ObjectKey a0, Object a1)
5337 set_value(Cover self, SparseFloatKey a0, IMP::Float a1)
5338 set_value(Cover self, SparseIntKey a0, IMP::Int a1)
5339 set_value(Cover self, SparseStringKey a0, IMP::String a1)
5340 set_value(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5342 return _IMP_core.Cover_set_value(self, *args)
5344 def remove_attribute(self, *args):
5346 remove_attribute(Cover self, FloatKey a0)
5347 remove_attribute(Cover self, IntKey a0)
5348 remove_attribute(Cover self, FloatsKey a0)
5349 remove_attribute(Cover self, IntsKey a0)
5350 remove_attribute(Cover self, StringKey a0)
5351 remove_attribute(Cover self, ParticleIndexKey a0)
5352 remove_attribute(Cover self, ObjectKey a0)
5353 remove_attribute(Cover self, SparseFloatKey a0)
5354 remove_attribute(Cover self, SparseIntKey a0)
5355 remove_attribute(Cover self, SparseStringKey a0)
5356 remove_attribute(Cover self, SparseParticleIndexKey a0)
5358 return _IMP_core.Cover_remove_attribute(self, *args)
5360 def has_attribute(self, *args):
5362 has_attribute(Cover self, FloatKey a0) -> bool
5363 has_attribute(Cover self, IntKey a0) -> bool
5364 has_attribute(Cover self, FloatsKey a0) -> bool
5365 has_attribute(Cover self, IntsKey a0) -> bool
5366 has_attribute(Cover self, StringKey a0) -> bool
5367 has_attribute(Cover self, ParticleIndexKey a0) -> bool
5368 has_attribute(Cover self, ObjectKey a0) -> bool
5369 has_attribute(Cover self, SparseFloatKey a0) -> bool
5370 has_attribute(Cover self, SparseIntKey a0) -> bool
5371 has_attribute(Cover self, SparseStringKey a0) -> bool
5372 has_attribute(Cover self, SparseParticleIndexKey a0) -> bool
5374 return _IMP_core.Cover_has_attribute(self, *args)
5376 def get_derivative(self, a0):
5377 r"""get_derivative(Cover self, FloatKey a0) -> double"""
5378 return _IMP_core.Cover_get_derivative(self, a0)
5381 r"""get_name(Cover self) -> std::string"""
5382 return _IMP_core.Cover_get_name(self)
5384 def clear_caches(self):
5385 r"""clear_caches(Cover self)"""
5386 return _IMP_core.Cover_clear_caches(self)
5388 def set_name(self, a0):
5389 r"""set_name(Cover self, std::string a0)"""
5390 return _IMP_core.Cover_set_name(self, a0)
5393 r"""set_check_level(Cover self, IMP::CheckLevel a0)"""
5394 return _IMP_core.Cover_set_check_level(self, a0)
5396 def add_to_derivative(self, a0, a1, a2):
5397 r"""add_to_derivative(Cover self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5398 return _IMP_core.Cover_add_to_derivative(self, a0, a1, a2)
5400 def set_is_optimized(self, a0, a1):
5401 r"""set_is_optimized(Cover self, FloatKey a0, bool a1)"""
5402 return _IMP_core.Cover_set_is_optimized(self, a0, a1)
5404 def get_is_optimized(self, a0):
5405 r"""get_is_optimized(Cover self, FloatKey a0) -> bool"""
5406 return _IMP_core.Cover_get_is_optimized(self, a0)
5409 r"""get_check_level(Cover self) -> IMP::CheckLevel"""
5410 return _IMP_core.Cover_get_check_level(self)
5412 def __eq__(self, *args):
5414 __eq__(Cover self, Cover o) -> bool
5415 __eq__(Cover self, Particle d) -> bool
5417 return _IMP_core.Cover___eq__(self, *args)
5419 def __ne__(self, *args):
5421 __ne__(Cover self, Cover o) -> bool
5422 __ne__(Cover self, Particle d) -> bool
5424 return _IMP_core.Cover___ne__(self, *args)
5426 def __le__(self, *args):
5428 __le__(Cover self, Cover o) -> bool
5429 __le__(Cover self, Particle d) -> bool
5431 return _IMP_core.Cover___le__(self, *args)
5433 def __lt__(self, *args):
5435 __lt__(Cover self, Cover o) -> bool
5436 __lt__(Cover self, Particle d) -> bool
5438 return _IMP_core.Cover___lt__(self, *args)
5440 def __ge__(self, *args):
5442 __ge__(Cover self, Cover o) -> bool
5443 __ge__(Cover self, Particle d) -> bool
5445 return _IMP_core.Cover___ge__(self, *args)
5447 def __gt__(self, *args):
5449 __gt__(Cover self, Cover o) -> bool
5450 __gt__(Cover self, Particle d) -> bool
5452 return _IMP_core.Cover___gt__(self, *args)
5455 r"""__hash__(Cover self) -> std::size_t"""
5456 return _IMP_core.Cover___hash__(self)
5459 r"""__str__(Cover self) -> std::string"""
5460 return _IMP_core.Cover___str__(self)
5463 r"""__repr__(Cover self) -> std::string"""
5464 return _IMP_core.Cover___repr__(self)
5466 def _get_as_binary(self):
5467 r"""_get_as_binary(Cover self) -> PyObject *"""
5468 return _IMP_core.Cover__get_as_binary(self)
5470 def _set_from_binary(self, p):
5471 r"""_set_from_binary(Cover self, PyObject * p)"""
5472 return _IMP_core.Cover__set_from_binary(self, p)
5474 def __getstate__(self):
5475 p = self._get_as_binary()
5476 if len(self.__dict__) > 1:
5477 d = self.__dict__.copy()
5482 def __setstate__(self, p):
5483 if not hasattr(self,
'this'):
5485 if isinstance(p, tuple):
5487 self.__dict__.update(d)
5488 return self._set_from_binary(p)
5490 __swig_destroy__ = _IMP_core.delete_Cover
5493 _IMP_core.Cover_swigregister(Cover)
5495 r"""Proxy of C++ IMP::core::DerivativesFromRefined class."""
5497 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5499 def __init__(self, *args):
5500 r"""__init__(DerivativesFromRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesFromRefined"""
5501 _IMP_core.DerivativesFromRefined_swiginit(self, _IMP_core.new_DerivativesFromRefined(*args))
5503 def do_get_inputs(self, m, pis):
5504 r"""do_get_inputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5505 return _IMP_core.DerivativesFromRefined_do_get_inputs(self, m, pis)
5507 def do_get_outputs(self, m, pis):
5508 r"""do_get_outputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5509 return _IMP_core.DerivativesFromRefined_do_get_outputs(self, m, pis)
5511 def get_version_info(self):
5512 r"""get_version_info(DerivativesFromRefined self) -> VersionInfo"""
5513 return _IMP_core.DerivativesFromRefined_get_version_info(self)
5514 __swig_destroy__ = _IMP_core.delete_DerivativesFromRefined
5517 r"""__str__(DerivativesFromRefined self) -> std::string"""
5518 return _IMP_core.DerivativesFromRefined___str__(self)
5521 r"""__repr__(DerivativesFromRefined self) -> std::string"""
5522 return _IMP_core.DerivativesFromRefined___repr__(self)
5526 return _object_cast_to_DerivativesFromRefined(o)
5530 _IMP_core.DerivativesFromRefined_swigregister(DerivativesFromRefined)
5532 r"""Proxy of C++ IMP::core::DerivativesToRefined class."""
5534 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5536 def __init__(self, *args):
5538 __init__(DerivativesToRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesToRefined
5539 __init__(DerivativesToRefined self) -> DerivativesToRefined
5541 _IMP_core.DerivativesToRefined_swiginit(self, _IMP_core.new_DerivativesToRefined(*args))
5543 def do_get_inputs(self, m, pis):
5544 r"""do_get_inputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5545 return _IMP_core.DerivativesToRefined_do_get_inputs(self, m, pis)
5547 def do_get_outputs(self, m, pis):
5548 r"""do_get_outputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5549 return _IMP_core.DerivativesToRefined_do_get_outputs(self, m, pis)
5551 def get_version_info(self):
5552 r"""get_version_info(DerivativesToRefined self) -> VersionInfo"""
5553 return _IMP_core.DerivativesToRefined_get_version_info(self)
5554 __swig_destroy__ = _IMP_core.delete_DerivativesToRefined
5557 r"""__str__(DerivativesToRefined self) -> std::string"""
5558 return _IMP_core.DerivativesToRefined___str__(self)
5561 r"""__repr__(DerivativesToRefined self) -> std::string"""
5562 return _IMP_core.DerivativesToRefined___repr__(self)
5566 return _object_cast_to_DerivativesToRefined(o)
5569 def _get_as_binary(self):
5570 r"""_get_as_binary(DerivativesToRefined self) -> PyObject *"""
5571 return _IMP_core.DerivativesToRefined__get_as_binary(self)
5573 def _set_from_binary(self, p):
5574 r"""_set_from_binary(DerivativesToRefined self, PyObject * p)"""
5575 return _IMP_core.DerivativesToRefined__set_from_binary(self, p)
5577 def __getstate__(self):
5578 p = self._get_as_binary()
5579 if len(self.__dict__) > 1:
5580 d = self.__dict__.copy()
5585 def __setstate__(self, p):
5586 if not hasattr(self,
'this'):
5588 if isinstance(p, tuple):
5590 self.__dict__.update(d)
5591 return self._set_from_binary(p)
5595 _IMP_core.DerivativesToRefined_swigregister(DerivativesToRefined)
5597 r"""Proxy of C++ IMP::core::DiameterRestraint class."""
5599 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5601 def __init__(self, f, sc, diameter):
5602 r"""__init__(DiameterRestraint self, UnaryFunction f, SingletonContainer sc, IMP::Float diameter) -> DiameterRestraint"""
5603 _IMP_core.DiameterRestraint_swiginit(self, _IMP_core.new_DiameterRestraint(f, sc, diameter))
5605 def do_get_inputs(self):
5606 r"""do_get_inputs(DiameterRestraint self) -> IMP::ModelObjectsTemp"""
5607 return _IMP_core.DiameterRestraint_do_get_inputs(self)
5609 def get_version_info(self):
5610 r"""get_version_info(DiameterRestraint self) -> VersionInfo"""
5611 return _IMP_core.DiameterRestraint_get_version_info(self)
5612 __swig_destroy__ = _IMP_core.delete_DiameterRestraint
5614 def do_create_decomposition(self):
5615 r"""do_create_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5616 return _IMP_core.DiameterRestraint_do_create_decomposition(self)
5618 def do_create_current_decomposition(self):
5619 r"""do_create_current_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5620 return _IMP_core.DiameterRestraint_do_create_current_decomposition(self)
5623 r"""__str__(DiameterRestraint self) -> std::string"""
5624 return _IMP_core.DiameterRestraint___str__(self)
5627 r"""__repr__(DiameterRestraint self) -> std::string"""
5628 return _IMP_core.DiameterRestraint___repr__(self)
5632 return _object_cast_to_DiameterRestraint(o)
5636 _IMP_core.DiameterRestraint_swigregister(DiameterRestraint)
5638 r"""Proxy of C++ IMP::core::Transform class."""
5640 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5642 def __init__(self, *args):
5644 __init__(Transform self, Transformation3D t, bool ignore_non_xyz=False) -> Transform
5645 __init__(Transform self) -> Transform
5647 _IMP_core.Transform_swiginit(self, _IMP_core.new_Transform(*args))
5649 def do_get_inputs(self, m, pis):
5650 r"""do_get_inputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5651 return _IMP_core.Transform_do_get_inputs(self, m, pis)
5653 def do_get_outputs(self, m, pis):
5654 r"""do_get_outputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5655 return _IMP_core.Transform_do_get_outputs(self, m, pis)
5657 def get_version_info(self):
5658 r"""get_version_info(Transform self) -> VersionInfo"""
5659 return _IMP_core.Transform_get_version_info(self)
5660 __swig_destroy__ = _IMP_core.delete_Transform
5663 r"""__str__(Transform self) -> std::string"""
5664 return _IMP_core.Transform___str__(self)
5667 r"""__repr__(Transform self) -> std::string"""
5668 return _IMP_core.Transform___repr__(self)
5672 return _object_cast_to_Transform(o)
5675 def _get_as_binary(self):
5676 r"""_get_as_binary(Transform self) -> PyObject *"""
5677 return _IMP_core.Transform__get_as_binary(self)
5679 def _set_from_binary(self, p):
5680 r"""_set_from_binary(Transform self, PyObject * p)"""
5681 return _IMP_core.Transform__set_from_binary(self, p)
5683 def __getstate__(self):
5684 p = self._get_as_binary()
5685 if len(self.__dict__) > 1:
5686 d = self.__dict__.copy()
5691 def __setstate__(self, p):
5692 if not hasattr(self,
'this'):
5694 if isinstance(p, tuple):
5696 self.__dict__.update(d)
5697 return self._set_from_binary(p)
5701 _IMP_core.Transform_swigregister(Transform)
5703 r"""Proxy of C++ IMP::core::Reference class."""
5705 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5707 def __init__(self, *args):
5709 __init__(Reference self) -> Reference
5710 __init__(Reference self, Model m, ParticleIndex id) -> Reference
5711 __init__(Reference self, _ParticleAdaptor d) -> Reference
5713 _IMP_core.Reference_swiginit(self, _IMP_core.new_Reference(*args))
5715 def show(self, *args):
5716 r"""show(Reference self, _ostream out=std::cout)"""
5717 return _IMP_core.Reference_show(self, *args)
5720 def setup_particle(*args):
5722 setup_particle(Model m, ParticleIndex pi, _ParticleIndexAdaptor reference) -> Reference
5723 setup_particle(_ParticleAdaptor pa, _ParticleIndexAdaptor reference) -> Reference
5725 return _IMP_core.Reference_setup_particle(*args)
5727 def get_reference_particle(self):
5728 r"""get_reference_particle(Reference self) -> Particle"""
5729 return _IMP_core.Reference_get_reference_particle(self)
5732 def get_is_setup(*args):
5734 get_is_setup(_ParticleAdaptor p) -> bool
5735 get_is_setup(Model m, ParticleIndex pi) -> bool
5737 return _IMP_core.Reference_get_is_setup(*args)
5740 def get_reference_key():
5741 r"""get_reference_key() -> ParticleIndexKey"""
5742 return _IMP_core.Reference_get_reference_key()
5744 def add_attribute(self, *args):
5746 add_attribute(Reference self, FloatKey k, IMP::Float v, bool opt)
5747 add_attribute(Reference self, FloatKey a0, IMP::Float a1)
5748 add_attribute(Reference self, IntKey a0, IMP::Int a1)
5749 add_attribute(Reference self, FloatsKey a0, IMP::Floats a1)
5750 add_attribute(Reference self, IntsKey a0, IMP::Ints a1)
5751 add_attribute(Reference self, StringKey a0, IMP::String a1)
5752 add_attribute(Reference self, ParticleIndexKey a0, Particle a1)
5753 add_attribute(Reference self, ObjectKey a0, Object a1)
5754 add_attribute(Reference self, SparseFloatKey a0, IMP::Float a1)
5755 add_attribute(Reference self, SparseIntKey a0, IMP::Int a1)
5756 add_attribute(Reference self, SparseStringKey a0, IMP::String a1)
5757 add_attribute(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5759 return _IMP_core.Reference_add_attribute(self, *args)
5761 def get_value(self, *args):
5763 get_value(Reference self, FloatKey a0) -> IMP::Float
5764 get_value(Reference self, IntKey a0) -> IMP::Int
5765 get_value(Reference self, FloatsKey a0) -> IMP::Floats
5766 get_value(Reference self, IntsKey a0) -> IMP::Ints
5767 get_value(Reference self, StringKey a0) -> IMP::String
5768 get_value(Reference self, ParticleIndexKey a0) -> Particle
5769 get_value(Reference self, ObjectKey a0) -> Object
5770 get_value(Reference self, SparseFloatKey a0) -> IMP::Float
5771 get_value(Reference self, SparseIntKey a0) -> IMP::Int
5772 get_value(Reference self, SparseStringKey a0) -> IMP::String
5773 get_value(Reference self, SparseParticleIndexKey a0) -> ParticleIndex
5775 return _IMP_core.Reference_get_value(self, *args)
5777 def set_value(self, *args):
5779 set_value(Reference self, FloatKey a0, IMP::Float a1)
5780 set_value(Reference self, IntKey a0, IMP::Int a1)
5781 set_value(Reference self, FloatsKey a0, IMP::Floats a1)
5782 set_value(Reference self, IntsKey a0, IMP::Ints a1)
5783 set_value(Reference self, StringKey a0, IMP::String a1)
5784 set_value(Reference self, ParticleIndexKey a0, Particle a1)
5785 set_value(Reference self, ObjectKey a0, Object a1)
5786 set_value(Reference self, SparseFloatKey a0, IMP::Float a1)
5787 set_value(Reference self, SparseIntKey a0, IMP::Int a1)
5788 set_value(Reference self, SparseStringKey a0, IMP::String a1)
5789 set_value(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5791 return _IMP_core.Reference_set_value(self, *args)
5793 def remove_attribute(self, *args):
5795 remove_attribute(Reference self, FloatKey a0)
5796 remove_attribute(Reference self, IntKey a0)
5797 remove_attribute(Reference self, FloatsKey a0)
5798 remove_attribute(Reference self, IntsKey a0)
5799 remove_attribute(Reference self, StringKey a0)
5800 remove_attribute(Reference self, ParticleIndexKey a0)
5801 remove_attribute(Reference self, ObjectKey a0)
5802 remove_attribute(Reference self, SparseFloatKey a0)
5803 remove_attribute(Reference self, SparseIntKey a0)
5804 remove_attribute(Reference self, SparseStringKey a0)
5805 remove_attribute(Reference self, SparseParticleIndexKey a0)
5807 return _IMP_core.Reference_remove_attribute(self, *args)
5809 def has_attribute(self, *args):
5811 has_attribute(Reference self, FloatKey a0) -> bool
5812 has_attribute(Reference self, IntKey a0) -> bool
5813 has_attribute(Reference self, FloatsKey a0) -> bool
5814 has_attribute(Reference self, IntsKey a0) -> bool
5815 has_attribute(Reference self, StringKey a0) -> bool
5816 has_attribute(Reference self, ParticleIndexKey a0) -> bool
5817 has_attribute(Reference self, ObjectKey a0) -> bool
5818 has_attribute(Reference self, SparseFloatKey a0) -> bool
5819 has_attribute(Reference self, SparseIntKey a0) -> bool
5820 has_attribute(Reference self, SparseStringKey a0) -> bool
5821 has_attribute(Reference self, SparseParticleIndexKey a0) -> bool
5823 return _IMP_core.Reference_has_attribute(self, *args)
5825 def get_derivative(self, a0):
5826 r"""get_derivative(Reference self, FloatKey a0) -> double"""
5827 return _IMP_core.Reference_get_derivative(self, a0)
5830 r"""get_name(Reference self) -> std::string"""
5831 return _IMP_core.Reference_get_name(self)
5833 def clear_caches(self):
5834 r"""clear_caches(Reference self)"""
5835 return _IMP_core.Reference_clear_caches(self)
5837 def set_name(self, a0):
5838 r"""set_name(Reference self, std::string a0)"""
5839 return _IMP_core.Reference_set_name(self, a0)
5842 r"""set_check_level(Reference self, IMP::CheckLevel a0)"""
5843 return _IMP_core.Reference_set_check_level(self, a0)
5845 def add_to_derivative(self, a0, a1, a2):
5846 r"""add_to_derivative(Reference self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5847 return _IMP_core.Reference_add_to_derivative(self, a0, a1, a2)
5849 def set_is_optimized(self, a0, a1):
5850 r"""set_is_optimized(Reference self, FloatKey a0, bool a1)"""
5851 return _IMP_core.Reference_set_is_optimized(self, a0, a1)
5853 def get_is_optimized(self, a0):
5854 r"""get_is_optimized(Reference self, FloatKey a0) -> bool"""
5855 return _IMP_core.Reference_get_is_optimized(self, a0)
5858 r"""get_check_level(Reference self) -> IMP::CheckLevel"""
5859 return _IMP_core.Reference_get_check_level(self)
5861 def __eq__(self, *args):
5863 __eq__(Reference self, Reference o) -> bool
5864 __eq__(Reference self, Particle d) -> bool
5866 return _IMP_core.Reference___eq__(self, *args)
5868 def __ne__(self, *args):
5870 __ne__(Reference self, Reference o) -> bool
5871 __ne__(Reference self, Particle d) -> bool
5873 return _IMP_core.Reference___ne__(self, *args)
5875 def __le__(self, *args):
5877 __le__(Reference self, Reference o) -> bool
5878 __le__(Reference self, Particle d) -> bool
5880 return _IMP_core.Reference___le__(self, *args)
5882 def __lt__(self, *args):
5884 __lt__(Reference self, Reference o) -> bool
5885 __lt__(Reference self, Particle d) -> bool
5887 return _IMP_core.Reference___lt__(self, *args)
5889 def __ge__(self, *args):
5891 __ge__(Reference self, Reference o) -> bool
5892 __ge__(Reference self, Particle d) -> bool
5894 return _IMP_core.Reference___ge__(self, *args)
5896 def __gt__(self, *args):
5898 __gt__(Reference self, Reference o) -> bool
5899 __gt__(Reference self, Particle d) -> bool
5901 return _IMP_core.Reference___gt__(self, *args)
5904 r"""__hash__(Reference self) -> std::size_t"""
5905 return _IMP_core.Reference___hash__(self)
5908 r"""__str__(Reference self) -> std::string"""
5909 return _IMP_core.Reference___str__(self)
5912 r"""__repr__(Reference self) -> std::string"""
5913 return _IMP_core.Reference___repr__(self)
5915 def _get_as_binary(self):
5916 r"""_get_as_binary(Reference self) -> PyObject *"""
5917 return _IMP_core.Reference__get_as_binary(self)
5919 def _set_from_binary(self, p):
5920 r"""_set_from_binary(Reference self, PyObject * p)"""
5921 return _IMP_core.Reference__set_from_binary(self, p)
5923 def __getstate__(self):
5924 p = self._get_as_binary()
5925 if len(self.__dict__) > 1:
5926 d = self.__dict__.copy()
5931 def __setstate__(self, p):
5932 if not hasattr(self,
'this'):
5934 if isinstance(p, tuple):
5936 self.__dict__.update(d)
5937 return self._set_from_binary(p)
5939 __swig_destroy__ = _IMP_core.delete_Reference
5942 _IMP_core.Reference_swigregister(Reference)
5944 r"""Proxy of C++ IMP::core::TransformationAndReflectionSymmetry class."""
5946 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5948 def __init__(self, t, r):
5949 r"""__init__(TransformationAndReflectionSymmetry self, Transformation3D t, Reflection3D r) -> TransformationAndReflectionSymmetry"""
5950 _IMP_core.TransformationAndReflectionSymmetry_swiginit(self, _IMP_core.new_TransformationAndReflectionSymmetry(t, r))
5952 def do_get_inputs(self, m, pis):
5953 r"""do_get_inputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5954 return _IMP_core.TransformationAndReflectionSymmetry_do_get_inputs(self, m, pis)
5956 def do_get_outputs(self, m, pis):
5957 r"""do_get_outputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5958 return _IMP_core.TransformationAndReflectionSymmetry_do_get_outputs(self, m, pis)
5960 def get_version_info(self):
5961 r"""get_version_info(TransformationAndReflectionSymmetry self) -> VersionInfo"""
5962 return _IMP_core.TransformationAndReflectionSymmetry_get_version_info(self)
5963 __swig_destroy__ = _IMP_core.delete_TransformationAndReflectionSymmetry
5966 r"""__str__(TransformationAndReflectionSymmetry self) -> std::string"""
5967 return _IMP_core.TransformationAndReflectionSymmetry___str__(self)
5970 r"""__repr__(TransformationAndReflectionSymmetry self) -> std::string"""
5971 return _IMP_core.TransformationAndReflectionSymmetry___repr__(self)
5975 return _object_cast_to_TransformationAndReflectionSymmetry(o)
5979 _IMP_core.TransformationAndReflectionSymmetry_swigregister(TransformationAndReflectionSymmetry)
5981 r"""Proxy of C++ IMP::core::TransformationSymmetry class."""
5983 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5985 def __init__(self, *args):
5987 __init__(TransformationSymmetry self, Transformation3D t) -> TransformationSymmetry
5988 __init__(TransformationSymmetry self, ParticleIndex rb_pi) -> TransformationSymmetry
5990 _IMP_core.TransformationSymmetry_swiginit(self, _IMP_core.new_TransformationSymmetry(*args))
5992 def get_transformation(self):
5993 r"""get_transformation(TransformationSymmetry self) -> Transformation3D"""
5994 return _IMP_core.TransformationSymmetry_get_transformation(self)
5996 def set_transformation(self, t):
5997 r"""set_transformation(TransformationSymmetry self, Transformation3D t)"""
5998 return _IMP_core.TransformationSymmetry_set_transformation(self, t)
6000 def do_get_inputs(self, m, pis):
6001 r"""do_get_inputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6002 return _IMP_core.TransformationSymmetry_do_get_inputs(self, m, pis)
6004 def do_get_outputs(self, m, pis):
6005 r"""do_get_outputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6006 return _IMP_core.TransformationSymmetry_do_get_outputs(self, m, pis)
6008 def get_version_info(self):
6009 r"""get_version_info(TransformationSymmetry self) -> VersionInfo"""
6010 return _IMP_core.TransformationSymmetry_get_version_info(self)
6011 __swig_destroy__ = _IMP_core.delete_TransformationSymmetry
6014 r"""__str__(TransformationSymmetry self) -> std::string"""
6015 return _IMP_core.TransformationSymmetry___str__(self)
6018 r"""__repr__(TransformationSymmetry self) -> std::string"""
6019 return _IMP_core.TransformationSymmetry___repr__(self)
6023 return _object_cast_to_TransformationSymmetry(o)
6027 _IMP_core.TransformationSymmetry_swigregister(TransformationSymmetry)
6028 class TransformationSymmetryMover(MonteCarloMover):
6029 r"""Proxy of C++ IMP::core::TransformationSymmetryMover class."""
6031 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6033 def __init__(self, m, symm, pivot, max_translation, max_rotation):
6034 r"""__init__(TransformationSymmetryMover self, Model m, TransformationSymmetry symm, ParticleIndex pivot, IMP::Float max_translation, IMP::Float max_rotation) -> TransformationSymmetryMover"""
6035 _IMP_core.TransformationSymmetryMover_swiginit(self, _IMP_core.new_TransformationSymmetryMover(m, symm, pivot, max_translation, max_rotation))
6037 def set_maximum_translation(self, mt):
6038 r"""set_maximum_translation(TransformationSymmetryMover self, IMP::Float mt)"""
6039 return _IMP_core.TransformationSymmetryMover_set_maximum_translation(self, mt)
6041 def set_maximum_rotation(self, mr):
6042 r"""set_maximum_rotation(TransformationSymmetryMover self, IMP::Float mr)"""
6043 return _IMP_core.TransformationSymmetryMover_set_maximum_rotation(self, mr)
6045 def get_maximum_translation(self):
6046 r"""get_maximum_translation(TransformationSymmetryMover self) -> IMP::Float"""
6047 return _IMP_core.TransformationSymmetryMover_get_maximum_translation(self)
6049 def get_maximum_rotation(self):
6050 r"""get_maximum_rotation(TransformationSymmetryMover self) -> IMP::Float"""
6051 return _IMP_core.TransformationSymmetryMover_get_maximum_rotation(self)
6053 def get_version_info(self):
6054 r"""get_version_info(TransformationSymmetryMover self) -> VersionInfo"""
6055 return _IMP_core.TransformationSymmetryMover_get_version_info(self)
6056 __swig_destroy__ = _IMP_core.delete_TransformationSymmetryMover
6059 r"""__str__(TransformationSymmetryMover self) -> std::string"""
6060 return _IMP_core.TransformationSymmetryMover___str__(self)
6063 r"""__repr__(TransformationSymmetryMover self) -> std::string"""
6064 return _IMP_core.TransformationSymmetryMover___repr__(self)
6068 return _object_cast_to_TransformationSymmetryMover(o)
6072 _IMP_core.TransformationSymmetryMover_swigregister(TransformationSymmetryMover)
6074 r"""Proxy of C++ IMP::core::DihedralRestraint class."""
6076 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6078 def __init__(self, m, score_func, p1, p2, p3, p4):
6079 r"""__init__(DihedralRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3, _ParticleIndexAdaptor p4) -> DihedralRestraint"""
6080 _IMP_core.DihedralRestraint_swiginit(self, _IMP_core.new_DihedralRestraint(m, score_func, p1, p2, p3, p4))
6082 def do_get_inputs(self):
6083 r"""do_get_inputs(DihedralRestraint self) -> IMP::ModelObjectsTemp"""
6084 return _IMP_core.DihedralRestraint_do_get_inputs(self)
6086 def get_version_info(self):
6087 r"""get_version_info(DihedralRestraint self) -> VersionInfo"""
6088 return _IMP_core.DihedralRestraint_get_version_info(self)
6089 __swig_destroy__ = _IMP_core.delete_DihedralRestraint
6092 r"""__str__(DihedralRestraint self) -> std::string"""
6093 return _IMP_core.DihedralRestraint___str__(self)
6096 r"""__repr__(DihedralRestraint self) -> std::string"""
6097 return _IMP_core.DihedralRestraint___repr__(self)
6101 return _object_cast_to_DihedralRestraint(o)
6105 _IMP_core.DihedralRestraint_swigregister(DihedralRestraint)
6107 r"""Proxy of C++ IMP::core::DistancePairScore class."""
6109 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6111 def __init__(self, *args):
6113 __init__(DistancePairScore self, UnaryFunction uf, std::string name="DistancePairScore%1%") -> DistancePairScore
6114 __init__(DistancePairScore self) -> DistancePairScore
6116 _IMP_core.DistancePairScore_swiginit(self, _IMP_core.new_DistancePairScore(*args))
6118 def do_get_inputs(self, m, pis):
6119 r"""do_get_inputs(DistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6120 return _IMP_core.DistancePairScore_do_get_inputs(self, m, pis)
6122 def get_score_functor(self, *args):
6124 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
6125 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
6127 return _IMP_core.DistancePairScore_get_score_functor(self, *args)
6129 def get_version_info(self):
6130 r"""get_version_info(DistancePairScore self) -> VersionInfo"""
6131 return _IMP_core.DistancePairScore_get_version_info(self)
6132 __swig_destroy__ = _IMP_core.delete_DistancePairScore
6135 r"""__str__(DistancePairScore self) -> std::string"""
6136 return _IMP_core.DistancePairScore___str__(self)
6139 r"""__repr__(DistancePairScore self) -> std::string"""
6140 return _IMP_core.DistancePairScore___repr__(self)
6144 return _object_cast_to_DistancePairScore(o)
6147 def _get_as_binary(self):
6148 r"""_get_as_binary(DistancePairScore self) -> PyObject *"""
6149 return _IMP_core.DistancePairScore__get_as_binary(self)
6151 def _set_from_binary(self, p):
6152 r"""_set_from_binary(DistancePairScore self, PyObject * p)"""
6153 return _IMP_core.DistancePairScore__set_from_binary(self, p)
6155 def __getstate__(self):
6156 p = self._get_as_binary()
6157 if len(self.__dict__) > 1:
6158 d = self.__dict__.copy()
6163 def __setstate__(self, p):
6164 if not hasattr(self,
'this'):
6166 if isinstance(p, tuple):
6168 self.__dict__.update(d)
6169 return self._set_from_binary(p)
6172 def _get_jax(self, m, indexes):
6173 import jax.numpy
as jnp
6174 def jax_score(jm, uf):
6175 xyzs = jm[
'xyz'][indexes]
6176 diff = xyzs[:,0] - xyzs[:,1]
6177 drs = jnp.linalg.norm(diff, axis=1)
6179 sfnc = self.get_score_functor()
6180 uf = sfnc.get_unary_function().get_derived_object()
6181 f = functools.partial(jax_score, uf=uf._get_jax())
6182 return self._wrap_jax(m, f)
6186 _IMP_core.DistancePairScore_swigregister(DistancePairScore)
6188 r"""Proxy of C++ IMP::core::HarmonicDistancePairScore class."""
6190 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6192 def __init__(self, *args):
6194 __init__(HarmonicDistancePairScore self, double x0, double k, std::string name="HarmonicDistancePairScore%1%") -> HarmonicDistancePairScore
6195 __init__(HarmonicDistancePairScore self) -> HarmonicDistancePairScore
6197 _IMP_core.HarmonicDistancePairScore_swiginit(self, _IMP_core.new_HarmonicDistancePairScore(*args))
6199 def do_get_inputs(self, m, pis):
6200 r"""do_get_inputs(HarmonicDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6201 return _IMP_core.HarmonicDistancePairScore_do_get_inputs(self, m, pis)
6203 def get_score_functor(self, *args):
6205 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore
6206 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore const &
6208 return _IMP_core.HarmonicDistancePairScore_get_score_functor(self, *args)
6211 r"""get_x0(HarmonicDistancePairScore self) -> double"""
6212 return _IMP_core.HarmonicDistancePairScore_get_x0(self)
6215 r"""get_k(HarmonicDistancePairScore self) -> double"""
6216 return _IMP_core.HarmonicDistancePairScore_get_k(self)
6218 def get_version_info(self):
6219 r"""get_version_info(HarmonicDistancePairScore self) -> VersionInfo"""
6220 return _IMP_core.HarmonicDistancePairScore_get_version_info(self)
6221 __swig_destroy__ = _IMP_core.delete_HarmonicDistancePairScore
6224 r"""__str__(HarmonicDistancePairScore self) -> std::string"""
6225 return _IMP_core.HarmonicDistancePairScore___str__(self)
6228 r"""__repr__(HarmonicDistancePairScore self) -> std::string"""
6229 return _IMP_core.HarmonicDistancePairScore___repr__(self)
6233 return _object_cast_to_HarmonicDistancePairScore(o)
6236 def _get_as_binary(self):
6237 r"""_get_as_binary(HarmonicDistancePairScore self) -> PyObject *"""
6238 return _IMP_core.HarmonicDistancePairScore__get_as_binary(self)
6240 def _set_from_binary(self, p):
6241 r"""_set_from_binary(HarmonicDistancePairScore self, PyObject * p)"""
6242 return _IMP_core.HarmonicDistancePairScore__set_from_binary(self, p)
6244 def __getstate__(self):
6245 p = self._get_as_binary()
6246 if len(self.__dict__) > 1:
6247 d = self.__dict__.copy()
6252 def __setstate__(self, p):
6253 if not hasattr(self,
'this'):
6255 if isinstance(p, tuple):
6257 self.__dict__.update(d)
6258 return self._set_from_binary(p)
6261 def _get_jax(self, m, indexes):
6262 import jax.numpy
as jnp
6263 def jax_harmonic_distance_pair_score(jm, d, k):
6264 xyzs = jm[
'xyz'][indexes]
6265 diff = xyzs[:,0] - xyzs[:,1]
6266 drs = jnp.linalg.norm(diff, axis=1)
6267 return 0.5 * k * (d - drs)**2
6268 f = functools.partial(jax_harmonic_distance_pair_score,
6269 d=self.get_x0(), k=self.get_k())
6270 return self._wrap_jax(m, f)
6274 _IMP_core.HarmonicDistancePairScore_swigregister(HarmonicDistancePairScore)
6276 r"""Proxy of C++ IMP::core::DistanceRestraint class."""
6278 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6280 def __init__(self, *args):
6282 __init__(DistanceRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor a, _ParticleIndexAdaptor b, std::string name="DistanceRestraint %1%") -> DistanceRestraint
6283 __init__(DistanceRestraint self) -> DistanceRestraint
6285 _IMP_core.DistanceRestraint_swiginit(self, _IMP_core.new_DistanceRestraint(*args))
6287 def get_score_object(self):
6288 r"""get_score_object(DistanceRestraint self) -> DistancePairScore"""
6289 return _IMP_core.DistanceRestraint_get_score_object(self)
6292 r"""get_index(DistanceRestraint self) -> IMP::core::DistancePairScore::IndexArgument"""
6293 return _IMP_core.DistanceRestraint_get_index(self)
6295 def get_version_info(self):
6296 r"""get_version_info(DistanceRestraint self) -> VersionInfo"""
6297 return _IMP_core.DistanceRestraint_get_version_info(self)
6298 __swig_destroy__ = _IMP_core.delete_DistanceRestraint
6301 r"""__str__(DistanceRestraint self) -> std::string"""
6302 return _IMP_core.DistanceRestraint___str__(self)
6305 r"""__repr__(DistanceRestraint self) -> std::string"""
6306 return _IMP_core.DistanceRestraint___repr__(self)
6310 return _object_cast_to_DistanceRestraint(o)
6313 def _get_as_binary(self):
6314 r"""_get_as_binary(DistanceRestraint self) -> PyObject *"""
6315 return _IMP_core.DistanceRestraint__get_as_binary(self)
6317 def _set_from_binary(self, p):
6318 r"""_set_from_binary(DistanceRestraint self, PyObject * p)"""
6319 return _IMP_core.DistanceRestraint__set_from_binary(self, p)
6321 def __getstate__(self):
6322 p = self._get_as_binary()
6323 if len(self.__dict__) > 1:
6324 d = self.__dict__.copy()
6329 def __setstate__(self, p):
6330 if not hasattr(self,
'this'):
6332 if isinstance(p, tuple):
6334 self.__dict__.update(d)
6335 return self._set_from_binary(p)
6339 import jax.numpy
as jnp
6340 ps = self.get_score_object()
6341 indexes = jnp.array([self.get_index()])
6342 ji = ps._get_jax(self.get_model(), indexes)
6344 return jnp.sum(ji.score_func(jm))
6345 return self._wrap_jax(score)
6349 _IMP_core.DistanceRestraint_swigregister(DistanceRestraint)
6351 r"""Proxy of C++ IMP::core::SphereDistanceToSingletonScore class."""
6353 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6355 def __init__(self, f, pt):
6356 r"""__init__(SphereDistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> SphereDistanceToSingletonScore"""
6357 _IMP_core.SphereDistanceToSingletonScore_swiginit(self, _IMP_core.new_SphereDistanceToSingletonScore(f, pt))
6359 def do_get_inputs(self, m, pis):
6360 r"""do_get_inputs(SphereDistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6361 return _IMP_core.SphereDistanceToSingletonScore_do_get_inputs(self, m, pis)
6363 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
6364 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"""
6365 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
6367 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
6368 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"""
6369 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
6371 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
6372 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"""
6373 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
6375 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
6376 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"""
6377 return _IMP_core.SphereDistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
6379 def get_version_info(self):
6380 r"""get_version_info(SphereDistanceToSingletonScore self) -> VersionInfo"""
6381 return _IMP_core.SphereDistanceToSingletonScore_get_version_info(self)
6382 __swig_destroy__ = _IMP_core.delete_SphereDistanceToSingletonScore
6385 r"""__str__(SphereDistanceToSingletonScore self) -> std::string"""
6386 return _IMP_core.SphereDistanceToSingletonScore___str__(self)
6389 r"""__repr__(SphereDistanceToSingletonScore self) -> std::string"""
6390 return _IMP_core.SphereDistanceToSingletonScore___repr__(self)
6394 return _object_cast_to_SphereDistanceToSingletonScore(o)
6398 _IMP_core.SphereDistanceToSingletonScore_swigregister(SphereDistanceToSingletonScore)
6400 r"""Proxy of C++ IMP::core::ExcludedVolumeRestraint class."""
6402 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6404 def __init__(self, *args):
6405 r"""__init__(ExcludedVolumeRestraint self, _SingletonContainerAdaptor sc, double k=1, double slack=10, std::string name="ExcludedVolumeRestraint%1%") -> ExcludedVolumeRestraint"""
6406 _IMP_core.ExcludedVolumeRestraint_swiginit(self, _IMP_core.new_ExcludedVolumeRestraint(*args))
6408 def do_get_inputs(self):
6409 r"""do_get_inputs(ExcludedVolumeRestraint self) -> IMP::ModelObjectsTemp"""
6410 return _IMP_core.ExcludedVolumeRestraint_do_get_inputs(self)
6412 def get_version_info(self):
6413 r"""get_version_info(ExcludedVolumeRestraint self) -> VersionInfo"""
6414 return _IMP_core.ExcludedVolumeRestraint_get_version_info(self)
6415 __swig_destroy__ = _IMP_core.delete_ExcludedVolumeRestraint
6417 def do_create_decomposition(self):
6418 r"""do_create_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6419 return _IMP_core.ExcludedVolumeRestraint_do_create_decomposition(self)
6421 def do_create_current_decomposition(self):
6422 r"""do_create_current_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6423 return _IMP_core.ExcludedVolumeRestraint_do_create_current_decomposition(self)
6426 r"""get_indexes(ExcludedVolumeRestraint self) -> IMP::ParticleIndexPairs const &"""
6427 return _IMP_core.ExcludedVolumeRestraint_get_indexes(self)
6428 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)
6429 def __set_pair_filters(self, obj): IMP._list_util.set_varlist(self.pair_filters, obj)
6430 def __del_pair_filters(self): IMP._list_util.del_varlist(self.pair_filters)
6431 pair_filters = property(__get_pair_filters, __set_pair_filters, __del_pair_filters, doc=
"List of ##ucnames")
6433 def remove_pair_filter(self, d):
6434 r"""remove_pair_filter(ExcludedVolumeRestraint self, PairPredicate d)"""
6435 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filter(self, d)
6437 def _python_index_pair_filter(self, d, start, stop):
6438 r"""_python_index_pair_filter(ExcludedVolumeRestraint self, PairPredicate d, unsigned int start, unsigned int stop) -> unsigned int"""
6439 return _IMP_core.ExcludedVolumeRestraint__python_index_pair_filter(self, d, start, stop)
6441 def remove_pair_filters(self, d):
6442 r"""remove_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & d)"""
6443 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filters(self, d)
6445 def set_pair_filters(self, ps):
6446 r"""set_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & ps)"""
6447 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters(self, ps)
6449 def set_pair_filters_order(self, objs):
6450 r"""set_pair_filters_order(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6451 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters_order(self, objs)
6453 def add_pair_filter(self, obj):
6454 r"""add_pair_filter(ExcludedVolumeRestraint self, PairPredicate obj) -> unsigned int"""
6455 return _IMP_core.ExcludedVolumeRestraint_add_pair_filter(self, obj)
6457 def add_pair_filters(self, objs):
6458 r"""add_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6459 return _IMP_core.ExcludedVolumeRestraint_add_pair_filters(self, objs)
6461 def clear_pair_filters(self):
6462 r"""clear_pair_filters(ExcludedVolumeRestraint self)"""
6463 return _IMP_core.ExcludedVolumeRestraint_clear_pair_filters(self)
6465 def get_number_of_pair_filters(self):
6466 r"""get_number_of_pair_filters(ExcludedVolumeRestraint self) -> unsigned int"""
6467 return _IMP_core.ExcludedVolumeRestraint_get_number_of_pair_filters(self)
6469 def get_has_pair_filters(self):
6470 r"""get_has_pair_filters(ExcludedVolumeRestraint self) -> bool"""
6471 return _IMP_core.ExcludedVolumeRestraint_get_has_pair_filters(self)
6473 def get_pair_filter(self, i):
6474 r"""get_pair_filter(ExcludedVolumeRestraint self, unsigned int i) -> PairPredicate"""
6475 return _IMP_core.ExcludedVolumeRestraint_get_pair_filter(self, i)
6477 def get_pair_filters(self):
6478 r"""get_pair_filters(ExcludedVolumeRestraint self) -> IMP::PairPredicates"""
6479 return _IMP_core.ExcludedVolumeRestraint_get_pair_filters(self)
6481 def erase_pair_filter(self, i):
6482 r"""erase_pair_filter(ExcludedVolumeRestraint self, unsigned int i)"""
6483 return _IMP_core.ExcludedVolumeRestraint_erase_pair_filter(self, i)
6485 def reserve_pair_filters(self, sz):
6486 r"""reserve_pair_filters(ExcludedVolumeRestraint self, unsigned int sz)"""
6487 return _IMP_core.ExcludedVolumeRestraint_reserve_pair_filters(self, sz)
6490 r"""__str__(ExcludedVolumeRestraint self) -> std::string"""
6491 return _IMP_core.ExcludedVolumeRestraint___str__(self)
6494 r"""__repr__(ExcludedVolumeRestraint self) -> std::string"""
6495 return _IMP_core.ExcludedVolumeRestraint___repr__(self)
6499 return _object_cast_to_ExcludedVolumeRestraint(o)
6503 _IMP_core.ExcludedVolumeRestraint_swigregister(ExcludedVolumeRestraint)
6505 r"""Proxy of C++ IMP::core::FixedRefiner class."""
6507 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6509 def __init__(self, *args):
6511 __init__(FixedRefiner self, IMP::ParticlesTemp const & ps) -> FixedRefiner
6512 __init__(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> FixedRefiner
6513 __init__(FixedRefiner self) -> FixedRefiner
6515 _IMP_core.FixedRefiner_swiginit(self, _IMP_core.new_FixedRefiner(*args))
6517 def do_get_inputs(self, m, pis):
6518 r"""do_get_inputs(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6519 return _IMP_core.FixedRefiner_do_get_inputs(self, m, pis)
6521 def get_version_info(self):
6522 r"""get_version_info(FixedRefiner self) -> VersionInfo"""
6523 return _IMP_core.FixedRefiner_get_version_info(self)
6524 __swig_destroy__ = _IMP_core.delete_FixedRefiner
6527 r"""__str__(FixedRefiner self) -> std::string"""
6528 return _IMP_core.FixedRefiner___str__(self)
6531 r"""__repr__(FixedRefiner self) -> std::string"""
6532 return _IMP_core.FixedRefiner___repr__(self)
6536 return _object_cast_to_FixedRefiner(o)
6539 def _get_as_binary(self):
6540 r"""_get_as_binary(FixedRefiner self) -> PyObject *"""
6541 return _IMP_core.FixedRefiner__get_as_binary(self)
6543 def _set_from_binary(self, p):
6544 r"""_set_from_binary(FixedRefiner self, PyObject * p)"""
6545 return _IMP_core.FixedRefiner__set_from_binary(self, p)
6547 def __getstate__(self):
6548 p = self._get_as_binary()
6549 if len(self.__dict__) > 1:
6550 d = self.__dict__.copy()
6555 def __setstate__(self, p):
6556 if not hasattr(self,
'this'):
6558 if isinstance(p, tuple):
6560 self.__dict__.update(d)
6561 return self._set_from_binary(p)
6565 _IMP_core.FixedRefiner_swigregister(FixedRefiner)
6566 class GridClosePairsFinder(ClosePairsFinder):
6567 r"""Proxy of C++ IMP::core::GridClosePairsFinder class."""
6569 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6572 r"""__init__(GridClosePairsFinder self) -> GridClosePairsFinder"""
6573 _IMP_core.GridClosePairsFinder_swiginit(self, _IMP_core.new_GridClosePairsFinder())
6575 def get_close_pairs(self, *args):
6577 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6578 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6579 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
6580 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
6582 return _IMP_core.GridClosePairsFinder_get_close_pairs(self, *args)
6584 def do_get_inputs(self, m, pis):
6585 r"""do_get_inputs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6586 return _IMP_core.GridClosePairsFinder_do_get_inputs(self, m, pis)
6588 def get_version_info(self):
6589 r"""get_version_info(GridClosePairsFinder self) -> VersionInfo"""
6590 return _IMP_core.GridClosePairsFinder_get_version_info(self)
6591 __swig_destroy__ = _IMP_core.delete_GridClosePairsFinder
6594 r"""__str__(GridClosePairsFinder self) -> std::string"""
6595 return _IMP_core.GridClosePairsFinder___str__(self)
6598 r"""__repr__(GridClosePairsFinder self) -> std::string"""
6599 return _IMP_core.GridClosePairsFinder___repr__(self)
6603 return _object_cast_to_GridClosePairsFinder(o)
6606 def _get_as_binary(self):
6607 r"""_get_as_binary(GridClosePairsFinder self) -> PyObject *"""
6608 return _IMP_core.GridClosePairsFinder__get_as_binary(self)
6610 def _set_from_binary(self, p):
6611 r"""_set_from_binary(GridClosePairsFinder self, PyObject * p)"""
6612 return _IMP_core.GridClosePairsFinder__set_from_binary(self, p)
6614 def __getstate__(self):
6615 p = self._get_as_binary()
6616 if len(self.__dict__) > 1:
6617 d = self.__dict__.copy()
6622 def __setstate__(self, p):
6623 if not hasattr(self,
'this'):
6625 if isinstance(p, tuple):
6627 self.__dict__.update(d)
6628 return self._set_from_binary(p)
6632 _IMP_core.GridClosePairsFinder_swigregister(GridClosePairsFinder)
6634 r"""Proxy of C++ IMP::core::Harmonic class."""
6636 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6638 def __init__(self, *args):
6640 __init__(Harmonic self, IMP::Float mean, IMP::Float k) -> Harmonic
6641 __init__(Harmonic self) -> Harmonic
6643 _IMP_core.Harmonic_swiginit(self, _IMP_core.new_Harmonic(*args))
6645 def get_version_info(self):
6646 r"""get_version_info(Harmonic self) -> VersionInfo"""
6647 return _IMP_core.Harmonic_get_version_info(self)
6648 __swig_destroy__ = _IMP_core.delete_Harmonic
6651 r"""get_mean(Harmonic self) -> IMP::Float"""
6652 return _IMP_core.Harmonic_get_mean(self)
6655 r"""get_k(Harmonic self) -> IMP::Float"""
6656 return _IMP_core.Harmonic_get_k(self)
6658 def set_mean(self, mean):
6659 r"""set_mean(Harmonic self, IMP::Float mean)"""
6660 return _IMP_core.Harmonic_set_mean(self, mean)
6663 r"""set_k(Harmonic self, IMP::Float k)"""
6664 return _IMP_core.Harmonic_set_k(self, k)
6667 def get_k_from_standard_deviation(sd, t=297.15):
6668 r"""get_k_from_standard_deviation(IMP::Float sd, IMP::Float t=297.15) -> IMP::Float"""
6669 return _IMP_core.Harmonic_get_k_from_standard_deviation(sd, t)
6672 r"""__str__(Harmonic self) -> std::string"""
6673 return _IMP_core.Harmonic___str__(self)
6676 r"""__repr__(Harmonic self) -> std::string"""
6677 return _IMP_core.Harmonic___repr__(self)
6681 return _object_cast_to_Harmonic(o)
6684 def _get_as_binary(self):
6685 r"""_get_as_binary(Harmonic self) -> PyObject *"""
6686 return _IMP_core.Harmonic__get_as_binary(self)
6688 def _set_from_binary(self, p):
6689 r"""_set_from_binary(Harmonic self, PyObject * p)"""
6690 return _IMP_core.Harmonic__set_from_binary(self, p)
6692 def __getstate__(self):
6693 p = self._get_as_binary()
6694 if len(self.__dict__) > 1:
6695 d = self.__dict__.copy()
6700 def __setstate__(self, p):
6701 if not hasattr(self,
'this'):
6703 if isinstance(p, tuple):
6705 self.__dict__.update(d)
6706 return self._set_from_binary(p)
6710 def score(val, mean, k):
6711 return 0.5 * k * (mean - val) ** 2
6712 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6716 _IMP_core.Harmonic_swigregister(Harmonic)
6718 r"""Proxy of C++ IMP::core::HarmonicWell class."""
6720 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6722 def __init__(self, well, k):
6723 r"""__init__(HarmonicWell self, IMP::FloatRange const & well, double k) -> HarmonicWell"""
6724 _IMP_core.HarmonicWell_swiginit(self, _IMP_core.new_HarmonicWell(well, k))
6727 r"""get_well(HarmonicWell self) -> IMP::FloatRange"""
6728 return _IMP_core.HarmonicWell_get_well(self)
6731 r"""get_k(HarmonicWell self) -> double"""
6732 return _IMP_core.HarmonicWell_get_k(self)
6734 def get_version_info(self):
6735 r"""get_version_info(HarmonicWell self) -> VersionInfo"""
6736 return _IMP_core.HarmonicWell_get_version_info(self)
6737 __swig_destroy__ = _IMP_core.delete_HarmonicWell
6740 r"""__str__(HarmonicWell self) -> std::string"""
6741 return _IMP_core.HarmonicWell___str__(self)
6744 r"""__repr__(HarmonicWell self) -> std::string"""
6745 return _IMP_core.HarmonicWell___repr__(self)
6749 return _object_cast_to_HarmonicWell(o)
6753 import jax.numpy
as jnp
6754 def score(val, lb, ub, k):
6755 return 0.5 * k * (val - jnp.clip(val, lb, ub)) ** 2
6756 well = self.get_well()
6757 return functools.partial(score, lb=well[0], ub=well[1], k=self.get_k())
6761 _IMP_core.HarmonicWell_swigregister(HarmonicWell)
6762 class HarmonicLowerBound(Harmonic):
6763 r"""Proxy of C++ IMP::core::HarmonicLowerBound class."""
6765 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6767 def __init__(self, *args):
6769 __init__(HarmonicLowerBound self, IMP::Float mean, IMP::Float k) -> HarmonicLowerBound
6770 __init__(HarmonicLowerBound self) -> HarmonicLowerBound
6772 _IMP_core.HarmonicLowerBound_swiginit(self, _IMP_core.new_HarmonicLowerBound(*args))
6773 __swig_destroy__ = _IMP_core.delete_HarmonicLowerBound
6776 r"""__str__(HarmonicLowerBound self) -> std::string"""
6777 return _IMP_core.HarmonicLowerBound___str__(self)
6780 r"""__repr__(HarmonicLowerBound self) -> std::string"""
6781 return _IMP_core.HarmonicLowerBound___repr__(self)
6785 return _object_cast_to_HarmonicLowerBound(o)
6788 def _get_as_binary(self):
6789 r"""_get_as_binary(HarmonicLowerBound self) -> PyObject *"""
6790 return _IMP_core.HarmonicLowerBound__get_as_binary(self)
6792 def _set_from_binary(self, p):
6793 r"""_set_from_binary(HarmonicLowerBound self, PyObject * p)"""
6794 return _IMP_core.HarmonicLowerBound__set_from_binary(self, p)
6796 def __getstate__(self):
6797 p = self._get_as_binary()
6798 if len(self.__dict__) > 1:
6799 d = self.__dict__.copy()
6804 def __setstate__(self, p):
6805 if not hasattr(self,
'this'):
6807 if isinstance(p, tuple):
6809 self.__dict__.update(d)
6810 return self._set_from_binary(p)
6815 def score(val, mean, k):
6816 return 0.5 * k * jax.lax.max(mean - val, 0.0) ** 2
6817 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6821 _IMP_core.HarmonicLowerBound_swigregister(HarmonicLowerBound)
6822 class HarmonicUpperBound(Harmonic):
6823 r"""Proxy of C++ IMP::core::HarmonicUpperBound class."""
6825 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6827 def __init__(self, *args):
6829 __init__(HarmonicUpperBound self, IMP::Float mean, IMP::Float k) -> HarmonicUpperBound
6830 __init__(HarmonicUpperBound self) -> HarmonicUpperBound
6832 _IMP_core.HarmonicUpperBound_swiginit(self, _IMP_core.new_HarmonicUpperBound(*args))
6833 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBound
6836 r"""__str__(HarmonicUpperBound self) -> std::string"""
6837 return _IMP_core.HarmonicUpperBound___str__(self)
6840 r"""__repr__(HarmonicUpperBound self) -> std::string"""
6841 return _IMP_core.HarmonicUpperBound___repr__(self)
6845 return _object_cast_to_HarmonicUpperBound(o)
6848 def _get_as_binary(self):
6849 r"""_get_as_binary(HarmonicUpperBound self) -> PyObject *"""
6850 return _IMP_core.HarmonicUpperBound__get_as_binary(self)
6852 def _set_from_binary(self, p):
6853 r"""_set_from_binary(HarmonicUpperBound self, PyObject * p)"""
6854 return _IMP_core.HarmonicUpperBound__set_from_binary(self, p)
6856 def __getstate__(self):
6857 p = self._get_as_binary()
6858 if len(self.__dict__) > 1:
6859 d = self.__dict__.copy()
6864 def __setstate__(self, p):
6865 if not hasattr(self,
'this'):
6867 if isinstance(p, tuple):
6869 self.__dict__.update(d)
6870 return self._set_from_binary(p)
6875 def score(val, mean, k):
6876 return 0.5 * k * jax.lax.min(mean - val, 0.0) ** 2
6877 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6881 _IMP_core.HarmonicUpperBound_swigregister(HarmonicUpperBound)
6883 r"""Proxy of C++ IMP::core::WeightedSum class."""
6885 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6887 def __init__(self, funcs, weights):
6888 r"""__init__(WeightedSum self, IMP::UnaryFunctions funcs, IMP::Floats weights) -> WeightedSum"""
6889 _IMP_core.WeightedSum_swiginit(self, _IMP_core.new_WeightedSum(funcs, weights))
6891 def get_function_number(self):
6892 r"""get_function_number(WeightedSum self) -> unsigned int"""
6893 return _IMP_core.WeightedSum_get_function_number(self)
6895 def set_weights(self, weights):
6896 r"""set_weights(WeightedSum self, IMP::Floats weights)"""
6897 return _IMP_core.WeightedSum_set_weights(self, weights)
6899 def get_weights(self):
6900 r"""get_weights(WeightedSum self) -> IMP::Floats"""
6901 return _IMP_core.WeightedSum_get_weights(self)
6903 def get_weight(self, i):
6904 r"""get_weight(WeightedSum self, unsigned int i) -> double"""
6905 return _IMP_core.WeightedSum_get_weight(self, i)
6907 def get_function(self, i):
6908 r"""get_function(WeightedSum self, unsigned int i) -> UnaryFunction"""
6909 return _IMP_core.WeightedSum_get_function(self, i)
6911 def get_version_info(self):
6912 r"""get_version_info(WeightedSum self) -> VersionInfo"""
6913 return _IMP_core.WeightedSum_get_version_info(self)
6914 __swig_destroy__ = _IMP_core.delete_WeightedSum
6917 r"""__str__(WeightedSum self) -> std::string"""
6918 return _IMP_core.WeightedSum___str__(self)
6921 r"""__repr__(WeightedSum self) -> std::string"""
6922 return _IMP_core.WeightedSum___repr__(self)
6926 return _object_cast_to_WeightedSum(o)
6930 import jax.numpy
as jnp
6931 def score(val, funcs, weights):
6932 return sum(f(val) * weight
for (f, weight)
in zip(funcs, weights))
6933 nfunc = self.get_function_number()
6934 funcs = [self.get_function(i).get_derived_object()._get_jax()
6935 for i
in range(nfunc)]
6936 return functools.partial(score, funcs=funcs,
6937 weights=self.get_weights())
6941 _IMP_core.WeightedSum_swigregister(WeightedSum)
6943 r"""Proxy of C++ IMP::core::WeightedSumOfExponential class."""
6945 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6947 def __init__(self, funcs, weights, denom=1.0):
6948 r"""__init__(WeightedSumOfExponential self, IMP::UnaryFunctions funcs, IMP::Floats weights, IMP::Float denom=1.0) -> WeightedSumOfExponential"""
6949 _IMP_core.WeightedSumOfExponential_swiginit(self, _IMP_core.new_WeightedSumOfExponential(funcs, weights, denom))
6951 def get_function_number(self):
6952 r"""get_function_number(WeightedSumOfExponential self) -> unsigned int"""
6953 return _IMP_core.WeightedSumOfExponential_get_function_number(self)
6955 def set_weights(self, weights):
6956 r"""set_weights(WeightedSumOfExponential self, IMP::Floats weights)"""
6957 return _IMP_core.WeightedSumOfExponential_set_weights(self, weights)
6959 def get_weights(self):
6960 r"""get_weights(WeightedSumOfExponential self) -> IMP::Floats"""
6961 return _IMP_core.WeightedSumOfExponential_get_weights(self)
6963 def get_weight(self, i):
6964 r"""get_weight(WeightedSumOfExponential self, unsigned int i) -> double"""
6965 return _IMP_core.WeightedSumOfExponential_get_weight(self, i)
6967 def get_function(self, i):
6968 r"""get_function(WeightedSumOfExponential self, unsigned int i) -> UnaryFunction"""
6969 return _IMP_core.WeightedSumOfExponential_get_function(self, i)
6971 def set_denominator(self, denom):
6972 r"""set_denominator(WeightedSumOfExponential self, double denom)"""
6973 return _IMP_core.WeightedSumOfExponential_set_denominator(self, denom)
6975 def get_denominator(self):
6976 r"""get_denominator(WeightedSumOfExponential self) -> double"""
6977 return _IMP_core.WeightedSumOfExponential_get_denominator(self)
6979 def get_version_info(self):
6980 r"""get_version_info(WeightedSumOfExponential self) -> VersionInfo"""
6981 return _IMP_core.WeightedSumOfExponential_get_version_info(self)
6982 __swig_destroy__ = _IMP_core.delete_WeightedSumOfExponential
6985 r"""__str__(WeightedSumOfExponential self) -> std::string"""
6986 return _IMP_core.WeightedSumOfExponential___str__(self)
6989 r"""__repr__(WeightedSumOfExponential self) -> std::string"""
6990 return _IMP_core.WeightedSumOfExponential___repr__(self)
6994 return _object_cast_to_WeightedSumOfExponential(o)
6998 import jax.numpy
as jnp
6999 def score(val, funcs, weights, denom):
7000 exp_sum = sum(weight * jnp.exp(-f(val) / denom)
7001 for (f, weight)
in zip(funcs, weights))
7002 return -jnp.log(exp_sum) * denom
7003 nfunc = self.get_function_number()
7004 funcs = [self.get_function(i).get_derived_object()._get_jax()
7005 for i
in range(nfunc)]
7006 return functools.partial(score, funcs=funcs,
7007 weights=self.get_weights(),
7008 denom=self.get_denominator())
7012 _IMP_core.WeightedSumOfExponential_swigregister(WeightedSumOfExponential)
7014 r"""Proxy of C++ IMP::core::MSConnectivityRestraint class."""
7016 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7018 def __init__(self, m, ps, eps=0.1):
7019 r"""__init__(MSConnectivityRestraint self, Model m, PairScore ps, double eps=0.1) -> MSConnectivityRestraint"""
7020 _IMP_core.MSConnectivityRestraint_swiginit(self, _IMP_core.new_MSConnectivityRestraint(m, ps, eps))
7022 def add_type(self, ps):
7023 r"""add_type(MSConnectivityRestraint self, IMP::ParticlesTemp const & ps) -> unsigned int"""
7024 return _IMP_core.MSConnectivityRestraint_add_type(self, ps)
7026 def add_composite(self, *args):
7028 add_composite(MSConnectivityRestraint self, IMP::Ints const & components) -> unsigned int
7029 add_composite(MSConnectivityRestraint self, IMP::Ints const & components, unsigned int parent) -> unsigned int
7031 return _IMP_core.MSConnectivityRestraint_add_composite(self, *args)
7033 def get_connected_pairs(self):
7034 r"""get_connected_pairs(MSConnectivityRestraint self) -> IMP::ParticlePairsTemp"""
7035 return _IMP_core.MSConnectivityRestraint_get_connected_pairs(self)
7037 def get_pair_score(self):
7038 r"""get_pair_score(MSConnectivityRestraint self) -> PairScore"""
7039 return _IMP_core.MSConnectivityRestraint_get_pair_score(self)
7041 def do_create_current_decomposition(self):
7042 r"""do_create_current_decomposition(MSConnectivityRestraint self) -> IMP::Restraints"""
7043 return _IMP_core.MSConnectivityRestraint_do_create_current_decomposition(self)
7045 def do_get_inputs(self):
7046 r"""do_get_inputs(MSConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
7047 return _IMP_core.MSConnectivityRestraint_do_get_inputs(self)
7049 def get_version_info(self):
7050 r"""get_version_info(MSConnectivityRestraint self) -> VersionInfo"""
7051 return _IMP_core.MSConnectivityRestraint_get_version_info(self)
7052 __swig_destroy__ = _IMP_core.delete_MSConnectivityRestraint
7055 r"""__str__(MSConnectivityRestraint self) -> std::string"""
7056 return _IMP_core.MSConnectivityRestraint___str__(self)
7059 r"""__repr__(MSConnectivityRestraint self) -> std::string"""
7060 return _IMP_core.MSConnectivityRestraint___repr__(self)
7064 return _object_cast_to_MSConnectivityRestraint(o)
7068 _IMP_core.MSConnectivityRestraint_swigregister(MSConnectivityRestraint)
7069 class HierarchyTraits(object):
7070 r"""Proxy of C++ IMP::core::HierarchyTraits class."""
7072 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7074 def __init__(self, *args):
7076 __init__(HierarchyTraits self) -> HierarchyTraits
7077 __init__(HierarchyTraits self, std::string name) -> HierarchyTraits
7079 _IMP_core.HierarchyTraits_swiginit(self, _IMP_core.new_HierarchyTraits(*args))
7081 def get_children_key(self):
7082 r"""get_children_key(HierarchyTraits self) -> ParticleIndexesKey"""
7083 return _IMP_core.HierarchyTraits_get_children_key(self)
7085 def get_parent_key(self):
7086 r"""get_parent_key(HierarchyTraits self) -> ParticleIndexKey"""
7087 return _IMP_core.HierarchyTraits_get_parent_key(self)
7089 def __eq__(self, o):
7090 r"""__eq__(HierarchyTraits self, HierarchyTraits o) -> bool"""
7091 return _IMP_core.HierarchyTraits___eq__(self, o)
7093 def show(self, *args):
7094 r"""show(HierarchyTraits self, _ostream out=std::cout)"""
7095 return _IMP_core.HierarchyTraits_show(self, *args)
7098 r"""__str__(HierarchyTraits self) -> std::string"""
7099 return _IMP_core.HierarchyTraits___str__(self)
7102 r"""__repr__(HierarchyTraits self) -> std::string"""
7103 return _IMP_core.HierarchyTraits___repr__(self)
7104 __swig_destroy__ = _IMP_core.delete_HierarchyTraits
7107 _IMP_core.HierarchyTraits_swigregister(HierarchyTraits)
7109 r"""Proxy of C++ IMP::core::Hierarchy class."""
7111 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7113 def get_decorator_traits(self):
7114 r"""get_decorator_traits(Hierarchy self) -> HierarchyTraits"""
7115 return _IMP_core.Hierarchy_get_decorator_traits(self)
7118 def get_default_decorator_traits():
7119 r"""get_default_decorator_traits() -> HierarchyTraits"""
7120 return _IMP_core.Hierarchy_get_default_decorator_traits()
7122 def __init__(self, *args):
7124 __init__(Hierarchy self) -> Hierarchy
7125 __init__(Hierarchy self, Model m, ParticleIndex id, HierarchyTraits tr=get_default_traits()) -> Hierarchy
7126 __init__(Hierarchy self, _ParticleAdaptor d, HierarchyTraits tr=get_default_traits()) -> Hierarchy
7128 _IMP_core.Hierarchy_swiginit(self, _IMP_core.new_Hierarchy(*args))
7130 def show(self, *args):
7131 r"""show(Hierarchy self, _ostream out=std::cout)"""
7132 return _IMP_core.Hierarchy_show(self, *args)
7135 def setup_particle(*args):
7137 setup_particle(Model m, ParticleIndex pi, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7138 setup_particle(_ParticleAdaptor d, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7139 setup_particle(Model m, ParticleIndex pi, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7140 setup_particle(_ParticleAdaptor d, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7141 setup_particle(Model m, ParticleIndex pi, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7142 setup_particle(_ParticleAdaptor d, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7144 return _IMP_core.Hierarchy_setup_particle(*args)
7147 def get_is_setup(*args):
7149 get_is_setup(_ParticleAdaptor p, HierarchyTraits tr=get_default_traits()) -> bool
7150 get_is_setup(Model arg1, ParticleIndex arg2, HierarchyTraits arg3=Hierarchy::get_default_traits()) -> bool
7152 return _IMP_core.Hierarchy_get_is_setup(*args)
7155 def get_changed_key():
7156 r"""get_changed_key() -> TriggerKey"""
7157 return _IMP_core.Hierarchy_get_changed_key()
7159 def get_parent(self):
7160 r"""get_parent(Hierarchy self) -> Hierarchy"""
7161 return _IMP_core.Hierarchy_get_parent(self)
7163 def get_number_of_children(self):
7164 r"""get_number_of_children(Hierarchy self) -> unsigned int"""
7165 return _IMP_core.Hierarchy_get_number_of_children(self)
7167 def get_child(self, i):
7168 r"""get_child(Hierarchy self, unsigned int i) -> Hierarchy"""
7169 return _IMP_core.Hierarchy_get_child(self, i)
7171 def get_children_indexes(self):
7172 r"""get_children_indexes(Hierarchy self) -> IMP::ParticleIndexes"""
7173 return _IMP_core.Hierarchy_get_children_indexes(self)
7175 def get_children(self):
7176 r"""get_children(Hierarchy self) -> IMP::core::GenericHierarchies"""
7177 return _IMP_core.Hierarchy_get_children(self)
7179 def remove_child(self, *args):
7181 remove_child(Hierarchy self, unsigned int i)
7182 remove_child(Hierarchy self, Hierarchy h)
7184 return _IMP_core.Hierarchy_remove_child(self, *args)
7186 def clear_children(self):
7187 r"""clear_children(Hierarchy self)"""
7188 return _IMP_core.Hierarchy_clear_children(self)
7190 def add_child(self, h):
7191 r"""add_child(Hierarchy self, Hierarchy h)"""
7192 return _IMP_core.Hierarchy_add_child(self, h)
7194 def add_child_at(self, h, pos):
7195 r"""add_child_at(Hierarchy self, Hierarchy h, unsigned int pos)"""
7196 return _IMP_core.Hierarchy_add_child_at(self, h, pos)
7198 def get_child_index(self, *args):
7200 get_child_index(Hierarchy self, unsigned int i) -> ParticleIndex
7201 get_child_index(Hierarchy self) -> int
7203 return _IMP_core.Hierarchy_get_child_index(self, *args)
7206 def get_default_traits():
7207 r"""get_default_traits() -> HierarchyTraits"""
7208 return _IMP_core.Hierarchy_get_default_traits()
7210 def get_traits(self):
7211 r"""get_traits(Hierarchy self) -> HierarchyTraits"""
7212 return _IMP_core.Hierarchy_get_traits(self)
7214 def add_attribute(self, *args):
7216 add_attribute(Hierarchy self, FloatKey k, IMP::Float v, bool opt)
7217 add_attribute(Hierarchy self, FloatKey a0, IMP::Float a1)
7218 add_attribute(Hierarchy self, IntKey a0, IMP::Int a1)
7219 add_attribute(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7220 add_attribute(Hierarchy self, IntsKey a0, IMP::Ints a1)
7221 add_attribute(Hierarchy self, StringKey a0, IMP::String a1)
7222 add_attribute(Hierarchy self, ParticleIndexKey a0, Particle a1)
7223 add_attribute(Hierarchy self, ObjectKey a0, Object a1)
7224 add_attribute(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7225 add_attribute(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7226 add_attribute(Hierarchy self, SparseStringKey a0, IMP::String a1)
7227 add_attribute(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7229 return _IMP_core.Hierarchy_add_attribute(self, *args)
7231 def get_value(self, *args):
7233 get_value(Hierarchy self, FloatKey a0) -> IMP::Float
7234 get_value(Hierarchy self, IntKey a0) -> IMP::Int
7235 get_value(Hierarchy self, FloatsKey a0) -> IMP::Floats
7236 get_value(Hierarchy self, IntsKey a0) -> IMP::Ints
7237 get_value(Hierarchy self, StringKey a0) -> IMP::String
7238 get_value(Hierarchy self, ParticleIndexKey a0) -> Particle
7239 get_value(Hierarchy self, ObjectKey a0) -> Object
7240 get_value(Hierarchy self, SparseFloatKey a0) -> IMP::Float
7241 get_value(Hierarchy self, SparseIntKey a0) -> IMP::Int
7242 get_value(Hierarchy self, SparseStringKey a0) -> IMP::String
7243 get_value(Hierarchy self, SparseParticleIndexKey a0) -> ParticleIndex
7245 return _IMP_core.Hierarchy_get_value(self, *args)
7247 def set_value(self, *args):
7249 set_value(Hierarchy self, FloatKey a0, IMP::Float a1)
7250 set_value(Hierarchy self, IntKey a0, IMP::Int a1)
7251 set_value(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7252 set_value(Hierarchy self, IntsKey a0, IMP::Ints a1)
7253 set_value(Hierarchy self, StringKey a0, IMP::String a1)
7254 set_value(Hierarchy self, ParticleIndexKey a0, Particle a1)
7255 set_value(Hierarchy self, ObjectKey a0, Object a1)
7256 set_value(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7257 set_value(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7258 set_value(Hierarchy self, SparseStringKey a0, IMP::String a1)
7259 set_value(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7261 return _IMP_core.Hierarchy_set_value(self, *args)
7263 def remove_attribute(self, *args):
7265 remove_attribute(Hierarchy self, FloatKey a0)
7266 remove_attribute(Hierarchy self, IntKey a0)
7267 remove_attribute(Hierarchy self, FloatsKey a0)
7268 remove_attribute(Hierarchy self, IntsKey a0)
7269 remove_attribute(Hierarchy self, StringKey a0)
7270 remove_attribute(Hierarchy self, ParticleIndexKey a0)
7271 remove_attribute(Hierarchy self, ObjectKey a0)
7272 remove_attribute(Hierarchy self, SparseFloatKey a0)
7273 remove_attribute(Hierarchy self, SparseIntKey a0)
7274 remove_attribute(Hierarchy self, SparseStringKey a0)
7275 remove_attribute(Hierarchy self, SparseParticleIndexKey a0)
7277 return _IMP_core.Hierarchy_remove_attribute(self, *args)
7279 def has_attribute(self, *args):
7281 has_attribute(Hierarchy self, FloatKey a0) -> bool
7282 has_attribute(Hierarchy self, IntKey a0) -> bool
7283 has_attribute(Hierarchy self, FloatsKey a0) -> bool
7284 has_attribute(Hierarchy self, IntsKey a0) -> bool
7285 has_attribute(Hierarchy self, StringKey a0) -> bool
7286 has_attribute(Hierarchy self, ParticleIndexKey a0) -> bool
7287 has_attribute(Hierarchy self, ObjectKey a0) -> bool
7288 has_attribute(Hierarchy self, SparseFloatKey a0) -> bool
7289 has_attribute(Hierarchy self, SparseIntKey a0) -> bool
7290 has_attribute(Hierarchy self, SparseStringKey a0) -> bool
7291 has_attribute(Hierarchy self, SparseParticleIndexKey a0) -> bool
7293 return _IMP_core.Hierarchy_has_attribute(self, *args)
7295 def get_derivative(self, a0):
7296 r"""get_derivative(Hierarchy self, FloatKey a0) -> double"""
7297 return _IMP_core.Hierarchy_get_derivative(self, a0)
7300 r"""get_name(Hierarchy self) -> std::string"""
7301 return _IMP_core.Hierarchy_get_name(self)
7303 def clear_caches(self):
7304 r"""clear_caches(Hierarchy self)"""
7305 return _IMP_core.Hierarchy_clear_caches(self)
7307 def set_name(self, a0):
7308 r"""set_name(Hierarchy self, std::string a0)"""
7309 return _IMP_core.Hierarchy_set_name(self, a0)
7312 r"""set_check_level(Hierarchy self, IMP::CheckLevel a0)"""
7313 return _IMP_core.Hierarchy_set_check_level(self, a0)
7315 def add_to_derivative(self, a0, a1, a2):
7316 r"""add_to_derivative(Hierarchy self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7317 return _IMP_core.Hierarchy_add_to_derivative(self, a0, a1, a2)
7319 def set_is_optimized(self, a0, a1):
7320 r"""set_is_optimized(Hierarchy self, FloatKey a0, bool a1)"""
7321 return _IMP_core.Hierarchy_set_is_optimized(self, a0, a1)
7323 def get_is_optimized(self, a0):
7324 r"""get_is_optimized(Hierarchy self, FloatKey a0) -> bool"""
7325 return _IMP_core.Hierarchy_get_is_optimized(self, a0)
7328 r"""get_check_level(Hierarchy self) -> IMP::CheckLevel"""
7329 return _IMP_core.Hierarchy_get_check_level(self)
7331 def __eq__(self, *args):
7333 __eq__(Hierarchy self, Hierarchy o) -> bool
7334 __eq__(Hierarchy self, Particle d) -> bool
7336 return _IMP_core.Hierarchy___eq__(self, *args)
7338 def __ne__(self, *args):
7340 __ne__(Hierarchy self, Hierarchy o) -> bool
7341 __ne__(Hierarchy self, Particle d) -> bool
7343 return _IMP_core.Hierarchy___ne__(self, *args)
7345 def __le__(self, *args):
7347 __le__(Hierarchy self, Hierarchy o) -> bool
7348 __le__(Hierarchy self, Particle d) -> bool
7350 return _IMP_core.Hierarchy___le__(self, *args)
7352 def __lt__(self, *args):
7354 __lt__(Hierarchy self, Hierarchy o) -> bool
7355 __lt__(Hierarchy self, Particle d) -> bool
7357 return _IMP_core.Hierarchy___lt__(self, *args)
7359 def __ge__(self, *args):
7361 __ge__(Hierarchy self, Hierarchy o) -> bool
7362 __ge__(Hierarchy self, Particle d) -> bool
7364 return _IMP_core.Hierarchy___ge__(self, *args)
7366 def __gt__(self, *args):
7368 __gt__(Hierarchy self, Hierarchy o) -> bool
7369 __gt__(Hierarchy self, Particle d) -> bool
7371 return _IMP_core.Hierarchy___gt__(self, *args)
7374 r"""__hash__(Hierarchy self) -> std::size_t"""
7375 return _IMP_core.Hierarchy___hash__(self)
7378 r"""__str__(Hierarchy self) -> std::string"""
7379 return _IMP_core.Hierarchy___str__(self)
7382 r"""__repr__(Hierarchy self) -> std::string"""
7383 return _IMP_core.Hierarchy___repr__(self)
7384 __swig_destroy__ = _IMP_core.delete_Hierarchy
7387 _IMP_core.Hierarchy_swigregister(Hierarchy)
7388 class HierarchyVisitor(object):
7389 r"""Proxy of C++ IMP::core::HierarchyVisitor class."""
7391 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7392 __repr__ = _swig_repr
7395 r"""__init__(HierarchyVisitor self) -> HierarchyVisitor"""
7396 if self.__class__ == HierarchyVisitor:
7400 _IMP_core.HierarchyVisitor_swiginit(self, _IMP_core.new_HierarchyVisitor(_self, ))
7402 if self.__class__ != HierarchyVisitor:
7403 _director_objects.register(self)
7408 def __call__(self, p):
7409 r"""__call__(HierarchyVisitor self, Hierarchy p) -> bool"""
7410 return _IMP_core.HierarchyVisitor___call__(self, p)
7411 __swig_destroy__ = _IMP_core.delete_HierarchyVisitor
7412 def __disown__(self):
7414 _IMP_core.disown_HierarchyVisitor(self)
7415 return weakref.proxy(self)
7418 _IMP_core.HierarchyVisitor_swigregister(HierarchyVisitor)
7419 class ModifierVisitor(HierarchyVisitor):
7420 r"""Proxy of C++ IMP::core::ModifierVisitor class."""
7422 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7423 __repr__ = _swig_repr
7425 def __init__(self, sm):
7426 r"""__init__(ModifierVisitor self, SingletonModifier sm) -> ModifierVisitor"""
7427 _IMP_core.ModifierVisitor_swiginit(self, _IMP_core.new_ModifierVisitor(sm))
7428 __swig_destroy__ = _IMP_core.delete_ModifierVisitor
7431 _IMP_core.ModifierVisitor_swigregister(ModifierVisitor)
7432 class HierarchyCounter(HierarchyVisitor):
7433 r"""Proxy of C++ IMP::core::HierarchyCounter class."""
7435 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7438 r"""__init__(HierarchyCounter self) -> HierarchyCounter"""
7439 _IMP_core.HierarchyCounter_swiginit(self, _IMP_core.new_HierarchyCounter())
7441 def get_count(self):
7442 r"""get_count(HierarchyCounter self) -> unsigned int"""
7443 return _IMP_core.HierarchyCounter_get_count(self)
7445 def show(self, *args):
7446 r"""show(HierarchyCounter self, _ostream out=std::cout)"""
7447 return _IMP_core.HierarchyCounter_show(self, *args)
7450 r"""__str__(HierarchyCounter self) -> std::string"""
7451 return _IMP_core.HierarchyCounter___str__(self)
7454 r"""__repr__(HierarchyCounter self) -> std::string"""
7455 return _IMP_core.HierarchyCounter___repr__(self)
7457 def _get_as_binary(self):
7458 r"""_get_as_binary(HierarchyCounter self) -> PyObject *"""
7459 return _IMP_core.HierarchyCounter__get_as_binary(self)
7461 def _set_from_binary(self, p):
7462 r"""_set_from_binary(HierarchyCounter self, PyObject * p)"""
7463 return _IMP_core.HierarchyCounter__set_from_binary(self, p)
7465 def __getstate__(self):
7466 p = self._get_as_binary()
7467 if len(self.__dict__) > 1:
7468 d = self.__dict__.copy()
7473 def __setstate__(self, p):
7474 if not hasattr(self,
'this'):
7476 if isinstance(p, tuple):
7478 self.__dict__.update(d)
7479 return self._set_from_binary(p)
7481 __swig_destroy__ = _IMP_core.delete_HierarchyCounter
7484 _IMP_core.HierarchyCounter_swigregister(HierarchyCounter)
7487 r"""get_leaves(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7488 return _IMP_core.get_leaves(mhd)
7491 r"""get_internal(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7492 return _IMP_core.get_internal(mhd)
7495 r"""get_all_descendants(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7496 return _IMP_core.get_all_descendants(mhd)
7499 r"""get_root(Hierarchy h) -> Hierarchy"""
7500 return _IMP_core.get_root(h)
7503 r"""visit_breadth_first(Hierarchy d, HierarchyVisitor f)"""
7504 return _IMP_core.visit_breadth_first(d, f)
7507 r"""visit_depth_first(Hierarchy d, HierarchyVisitor f)"""
7508 return _IMP_core.visit_depth_first(d, f)
7510 r"""Proxy of C++ IMP::core::LeavesRefiner class."""
7512 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7514 def __init__(self, tr):
7515 r"""__init__(LeavesRefiner self, HierarchyTraits tr) -> LeavesRefiner"""
7516 _IMP_core.LeavesRefiner_swiginit(self, _IMP_core.new_LeavesRefiner(tr))
7518 def do_get_inputs(self, m, pis):
7519 r"""do_get_inputs(LeavesRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7520 return _IMP_core.LeavesRefiner_do_get_inputs(self, m, pis)
7522 def get_version_info(self):
7523 r"""get_version_info(LeavesRefiner self) -> VersionInfo"""
7524 return _IMP_core.LeavesRefiner_get_version_info(self)
7525 __swig_destroy__ = _IMP_core.delete_LeavesRefiner
7528 r"""__str__(LeavesRefiner self) -> std::string"""
7529 return _IMP_core.LeavesRefiner___str__(self)
7532 r"""__repr__(LeavesRefiner self) -> std::string"""
7533 return _IMP_core.LeavesRefiner___repr__(self)
7537 return _object_cast_to_LeavesRefiner(o)
7541 _IMP_core.LeavesRefiner_swigregister(LeavesRefiner)
7543 r"""Proxy of C++ IMP::core::Linear class."""
7545 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7547 def __init__(self, *args):
7549 __init__(Linear self, double offset, double slope) -> Linear
7550 __init__(Linear self) -> Linear
7552 _IMP_core.Linear_swiginit(self, _IMP_core.new_Linear(*args))
7554 def set_slope(self, f):
7555 r"""set_slope(Linear self, double f)"""
7556 return _IMP_core.Linear_set_slope(self, f)
7558 def get_slope(self):
7559 r"""get_slope(Linear self) -> double"""
7560 return _IMP_core.Linear_get_slope(self)
7562 def set_offset(self, f):
7563 r"""set_offset(Linear self, double f)"""
7564 return _IMP_core.Linear_set_offset(self, f)
7566 def get_offset(self):
7567 r"""get_offset(Linear self) -> double"""
7568 return _IMP_core.Linear_get_offset(self)
7570 def get_version_info(self):
7571 r"""get_version_info(Linear self) -> VersionInfo"""
7572 return _IMP_core.Linear_get_version_info(self)
7573 __swig_destroy__ = _IMP_core.delete_Linear
7576 r"""__str__(Linear self) -> std::string"""
7577 return _IMP_core.Linear___str__(self)
7580 r"""__repr__(Linear self) -> std::string"""
7581 return _IMP_core.Linear___repr__(self)
7585 return _object_cast_to_Linear(o)
7588 def _get_as_binary(self):
7589 r"""_get_as_binary(Linear self) -> PyObject *"""
7590 return _IMP_core.Linear__get_as_binary(self)
7592 def _set_from_binary(self, p):
7593 r"""_set_from_binary(Linear self, PyObject * p)"""
7594 return _IMP_core.Linear__set_from_binary(self, p)
7596 def __getstate__(self):
7597 p = self._get_as_binary()
7598 if len(self.__dict__) > 1:
7599 d = self.__dict__.copy()
7604 def __setstate__(self, p):
7605 if not hasattr(self,
'this'):
7607 if isinstance(p, tuple):
7609 self.__dict__.update(d)
7610 return self._set_from_binary(p)
7614 def score(val, slope, offset):
7615 return (val - offset) * slope
7616 return functools.partial(score, slope=self.get_slope(),
7617 offset=self.get_offset())
7621 _IMP_core.Linear_swigregister(Linear)
7622 class LogNormalMover(MonteCarloMover):
7623 r"""Proxy of C++ IMP::core::LogNormalMover class."""
7625 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7627 def __init__(self, *args):
7629 __init__(LogNormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> LogNormalMover
7630 __init__(LogNormalMover self, Model m, ParticleIndex pi, double stddev) -> LogNormalMover
7631 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> LogNormalMover
7632 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> LogNormalMover
7633 __init__(LogNormalMover self) -> LogNormalMover
7635 _IMP_core.LogNormalMover_swiginit(self, _IMP_core.new_LogNormalMover(*args))
7637 def set_sigma(self, sigma):
7638 r"""set_sigma(LogNormalMover self, IMP::Float sigma)"""
7639 return _IMP_core.LogNormalMover_set_sigma(self, sigma)
7641 def get_sigma(self):
7642 r"""get_sigma(LogNormalMover self) -> IMP::Float"""
7643 return _IMP_core.LogNormalMover_get_sigma(self)
7645 def get_version_info(self):
7646 r"""get_version_info(LogNormalMover self) -> VersionInfo"""
7647 return _IMP_core.LogNormalMover_get_version_info(self)
7648 __swig_destroy__ = _IMP_core.delete_LogNormalMover
7651 r"""__str__(LogNormalMover self) -> std::string"""
7652 return _IMP_core.LogNormalMover___str__(self)
7655 r"""__repr__(LogNormalMover self) -> std::string"""
7656 return _IMP_core.LogNormalMover___repr__(self)
7660 return _object_cast_to_LogNormalMover(o)
7663 def _get_as_binary(self):
7664 r"""_get_as_binary(LogNormalMover self) -> PyObject *"""
7665 return _IMP_core.LogNormalMover__get_as_binary(self)
7667 def _set_from_binary(self, p):
7668 r"""_set_from_binary(LogNormalMover self, PyObject * p)"""
7669 return _IMP_core.LogNormalMover__set_from_binary(self, p)
7671 def __getstate__(self):
7672 p = self._get_as_binary()
7673 if len(self.__dict__) > 1:
7674 d = self.__dict__.copy()
7679 def __setstate__(self, p):
7680 if not hasattr(self,
'this'):
7682 if isinstance(p, tuple):
7684 self.__dict__.update(d)
7685 return self._set_from_binary(p)
7689 _IMP_core.LogNormalMover_swigregister(LogNormalMover)
7690 IMP_CORE_HAS_MONTE_CARLO_MOVER = _IMP_core.IMP_CORE_HAS_MONTE_CARLO_MOVER
7693 r"""Proxy of C++ IMP::core::MonteCarlo class."""
7695 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7697 def __init__(self, *args):
7699 __init__(MonteCarlo self, Model m) -> MonteCarlo
7700 __init__(MonteCarlo self) -> MonteCarlo
7702 _IMP_core.MonteCarlo_swiginit(self, _IMP_core.new_MonteCarlo(*args))
7704 def get_version_info(self):
7705 r"""get_version_info(MonteCarlo self) -> VersionInfo"""
7706 return _IMP_core.MonteCarlo_get_version_info(self)
7707 __swig_destroy__ = _IMP_core.delete_MonteCarlo
7709 def set_return_best(self, tf):
7710 r"""set_return_best(MonteCarlo self, bool tf)"""
7711 return _IMP_core.MonteCarlo_set_return_best(self, tf)
7713 def get_return_best(self):
7714 r"""get_return_best(MonteCarlo self) -> bool"""
7715 return _IMP_core.MonteCarlo_get_return_best(self)
7717 def set_score_moved(self, mv):
7718 r"""set_score_moved(MonteCarlo self, bool mv)"""
7719 return _IMP_core.MonteCarlo_set_score_moved(self, mv)
7721 def set_kt(self, t):
7722 r"""set_kt(MonteCarlo self, IMP::Float t)"""
7723 return _IMP_core.MonteCarlo_set_kt(self, t)
7726 r"""get_kt(MonteCarlo self) -> IMP::Float"""
7727 return _IMP_core.MonteCarlo_get_kt(self)
7729 def get_last_accepted_energy(self):
7730 r"""get_last_accepted_energy(MonteCarlo self) -> double"""
7731 return _IMP_core.MonteCarlo_get_last_accepted_energy(self)
7733 def set_last_accepted_energy(self, energy):
7734 r"""set_last_accepted_energy(MonteCarlo self, double energy)"""
7735 return _IMP_core.MonteCarlo_set_last_accepted_energy(self, energy)
7737 def get_best_accepted_energy(self):
7738 r"""get_best_accepted_energy(MonteCarlo self) -> double"""
7739 return _IMP_core.MonteCarlo_get_best_accepted_energy(self)
7741 def set_best_accepted_energy(self, energy):
7742 r"""set_best_accepted_energy(MonteCarlo self, double energy)"""
7743 return _IMP_core.MonteCarlo_set_best_accepted_energy(self, energy)
7745 def get_number_of_downward_steps(self):
7746 r"""get_number_of_downward_steps(MonteCarlo self) -> unsigned int"""
7747 return _IMP_core.MonteCarlo_get_number_of_downward_steps(self)
7749 def get_number_of_upward_steps(self):
7750 r"""get_number_of_upward_steps(MonteCarlo self) -> unsigned int"""
7751 return _IMP_core.MonteCarlo_get_number_of_upward_steps(self)
7753 def get_number_of_proposed_steps(self):
7754 r"""get_number_of_proposed_steps(MonteCarlo self) -> unsigned int"""
7755 return _IMP_core.MonteCarlo_get_number_of_proposed_steps(self)
7757 def get_number_of_accepted_steps(self):
7758 r"""get_number_of_accepted_steps(MonteCarlo self) -> unsigned int"""
7759 return _IMP_core.MonteCarlo_get_number_of_accepted_steps(self)
7761 def set_number_of_downward_steps(self, nsteps):
7762 r"""set_number_of_downward_steps(MonteCarlo self, unsigned int nsteps)"""
7763 return _IMP_core.MonteCarlo_set_number_of_downward_steps(self, nsteps)
7765 def set_number_of_upward_steps(self, nsteps):
7766 r"""set_number_of_upward_steps(MonteCarlo self, unsigned int nsteps)"""
7767 return _IMP_core.MonteCarlo_set_number_of_upward_steps(self, nsteps)
7769 def set_number_of_rejected_steps(self, nsteps):
7770 r"""set_number_of_rejected_steps(MonteCarlo self, unsigned int nsteps)"""
7771 return _IMP_core.MonteCarlo_set_number_of_rejected_steps(self, nsteps)
7773 def reset_statistics(self):
7774 r"""reset_statistics(MonteCarlo self)"""
7775 return _IMP_core.MonteCarlo_reset_statistics(self)
7777 def set_score_threshold(self, s):
7778 r"""set_score_threshold(MonteCarlo self, double s)"""
7779 return _IMP_core.MonteCarlo_set_score_threshold(self, s)
7781 def get_score_threshold(self):
7782 r"""get_score_threshold(MonteCarlo self) -> double"""
7783 return _IMP_core.MonteCarlo_get_score_threshold(self)
7785 def set_maximum_difference(self, d):
7786 r"""set_maximum_difference(MonteCarlo self, double d)"""
7787 return _IMP_core.MonteCarlo_set_maximum_difference(self, d)
7789 def get_maximum_difference(self):
7790 r"""get_maximum_difference(MonteCarlo self) -> double"""
7791 return _IMP_core.MonteCarlo_get_maximum_difference(self)
7792 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)
7793 def __set_movers(self, obj): IMP._list_util.set_varlist(self.movers, obj)
7794 def __del_movers(self): IMP._list_util.del_varlist(self.movers)
7795 movers = property(__get_movers, __set_movers, __del_movers, doc=
"List of ##ucnames")
7797 def remove_mover(self, d):
7798 r"""remove_mover(MonteCarlo self, MonteCarloMover d)"""
7799 return _IMP_core.MonteCarlo_remove_mover(self, d)
7801 def _python_index_mover(self, d, start, stop):
7802 r"""_python_index_mover(MonteCarlo self, MonteCarloMover d, unsigned int start, unsigned int stop) -> unsigned int"""
7803 return _IMP_core.MonteCarlo__python_index_mover(self, d, start, stop)
7805 def remove_movers(self, d):
7806 r"""remove_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & d)"""
7807 return _IMP_core.MonteCarlo_remove_movers(self, d)
7809 def set_movers(self, ps):
7810 r"""set_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & ps)"""
7811 return _IMP_core.MonteCarlo_set_movers(self, ps)
7813 def set_movers_order(self, objs):
7814 r"""set_movers_order(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7815 return _IMP_core.MonteCarlo_set_movers_order(self, objs)
7817 def add_mover(self, obj):
7818 r"""add_mover(MonteCarlo self, MonteCarloMover obj) -> unsigned int"""
7819 return _IMP_core.MonteCarlo_add_mover(self, obj)
7821 def add_movers(self, objs):
7822 r"""add_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7823 return _IMP_core.MonteCarlo_add_movers(self, objs)
7825 def clear_movers(self):
7826 r"""clear_movers(MonteCarlo self)"""
7827 return _IMP_core.MonteCarlo_clear_movers(self)
7829 def get_number_of_movers(self):
7830 r"""get_number_of_movers(MonteCarlo self) -> unsigned int"""
7831 return _IMP_core.MonteCarlo_get_number_of_movers(self)
7833 def get_has_movers(self):
7834 r"""get_has_movers(MonteCarlo self) -> bool"""
7835 return _IMP_core.MonteCarlo_get_has_movers(self)
7837 def get_mover(self, i):
7838 r"""get_mover(MonteCarlo self, unsigned int i) -> MonteCarloMover"""
7839 return _IMP_core.MonteCarlo_get_mover(self, i)
7841 def get_movers(self):
7842 r"""get_movers(MonteCarlo self) -> IMP::core::MonteCarloMovers"""
7843 return _IMP_core.MonteCarlo_get_movers(self)
7845 def erase_mover(self, i):
7846 r"""erase_mover(MonteCarlo self, unsigned int i)"""
7847 return _IMP_core.MonteCarlo_erase_mover(self, i)
7849 def reserve_movers(self, sz):
7850 r"""reserve_movers(MonteCarlo self, unsigned int sz)"""
7851 return _IMP_core.MonteCarlo_reserve_movers(self, sz)
7854 r"""__str__(MonteCarlo self) -> std::string"""
7855 return _IMP_core.MonteCarlo___str__(self)
7858 r"""__repr__(MonteCarlo self) -> std::string"""
7859 return _IMP_core.MonteCarlo___repr__(self)
7863 return _object_cast_to_MonteCarlo(o)
7866 def _get_as_binary(self):
7867 r"""_get_as_binary(MonteCarlo self) -> PyObject *"""
7868 return _IMP_core.MonteCarlo__get_as_binary(self)
7870 def _set_from_binary(self, p):
7871 r"""_set_from_binary(MonteCarlo self, PyObject * p)"""
7872 return _IMP_core.MonteCarlo__set_from_binary(self, p)
7874 def __getstate__(self):
7875 p = self._get_as_binary()
7876 if len(self.__dict__) > 1:
7877 d = self.__dict__.copy()
7882 def __setstate__(self, p):
7883 if not hasattr(self,
'this'):
7885 if isinstance(p, tuple):
7887 self.__dict__.update(d)
7888 return self._set_from_binary(p)
7892 from IMP.core._jax_util
import _MCJAXInfo
7893 return _MCJAXInfo(self)
7895 def _get_jax_optimizer(self, max_steps):
7896 import IMP.core._jax_util
7897 return IMP.core._jax_util._MCJAXOptimizer(self, max_steps)
7899 def _optimize_jax(self, max_steps):
7900 opt = self._get_jax_optimizer(max_steps)
7901 score, mc_state = opt.optimize(opt.get_initial_state())
7906 _IMP_core.MonteCarlo_swigregister(MonteCarlo)
7907 class MonteCarloWithLocalOptimization(MonteCarlo):
7908 r"""Proxy of C++ IMP::core::MonteCarloWithLocalOptimization class."""
7910 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7912 def __init__(self, opt, steps):
7913 r"""__init__(MonteCarloWithLocalOptimization self, Optimizer opt, unsigned int steps) -> MonteCarloWithLocalOptimization"""
7914 _IMP_core.MonteCarloWithLocalOptimization_swiginit(self, _IMP_core.new_MonteCarloWithLocalOptimization(opt, steps))
7916 def get_number_of_steps(self):
7917 r"""get_number_of_steps(MonteCarloWithLocalOptimization self) -> unsigned int"""
7918 return _IMP_core.MonteCarloWithLocalOptimization_get_number_of_steps(self)
7920 def get_local_optimizer(self):
7921 r"""get_local_optimizer(MonteCarloWithLocalOptimization self) -> Optimizer"""
7922 return _IMP_core.MonteCarloWithLocalOptimization_get_local_optimizer(self)
7923 __swig_destroy__ = _IMP_core.delete_MonteCarloWithLocalOptimization
7926 r"""__str__(MonteCarloWithLocalOptimization self) -> std::string"""
7927 return _IMP_core.MonteCarloWithLocalOptimization___str__(self)
7930 r"""__repr__(MonteCarloWithLocalOptimization self) -> std::string"""
7931 return _IMP_core.MonteCarloWithLocalOptimization___repr__(self)
7935 return _object_cast_to_MonteCarloWithLocalOptimization(o)
7939 _IMP_core.MonteCarloWithLocalOptimization_swigregister(MonteCarloWithLocalOptimization)
7940 class MonteCarloWithBasinHopping(MonteCarloWithLocalOptimization):
7941 r"""Proxy of C++ IMP::core::MonteCarloWithBasinHopping class."""
7943 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7945 def __init__(self, opt, ns):
7946 r"""__init__(MonteCarloWithBasinHopping self, Optimizer opt, unsigned int ns) -> MonteCarloWithBasinHopping"""
7947 _IMP_core.MonteCarloWithBasinHopping_swiginit(self, _IMP_core.new_MonteCarloWithBasinHopping(opt, ns))
7948 __swig_destroy__ = _IMP_core.delete_MonteCarloWithBasinHopping
7951 r"""__str__(MonteCarloWithBasinHopping self) -> std::string"""
7952 return _IMP_core.MonteCarloWithBasinHopping___str__(self)
7955 r"""__repr__(MonteCarloWithBasinHopping self) -> std::string"""
7956 return _IMP_core.MonteCarloWithBasinHopping___repr__(self)
7960 return _object_cast_to_MonteCarloWithBasinHopping(o)
7964 _IMP_core.MonteCarloWithBasinHopping_swigregister(MonteCarloWithBasinHopping)
7966 r"""Proxy of C++ IMP::core::NeighborsTable class."""
7968 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7970 def __init__(self, *args):
7971 r"""__init__(NeighborsTable self, PairContainer input, std::string name="CloseNeighborsTable%1%") -> NeighborsTable"""
7972 _IMP_core.NeighborsTable_swiginit(self, _IMP_core.new_NeighborsTable(*args))
7974 def get_neighbors(self, pi):
7975 r"""get_neighbors(NeighborsTable self, ParticleIndex pi) -> IMP::ParticleIndexes const &"""
7976 return _IMP_core.NeighborsTable_get_neighbors(self, pi)
7978 def get_version_info(self):
7979 r"""get_version_info(NeighborsTable self) -> VersionInfo"""
7980 return _IMP_core.NeighborsTable_get_version_info(self)
7981 __swig_destroy__ = _IMP_core.delete_NeighborsTable
7984 r"""__str__(NeighborsTable self) -> std::string"""
7985 return _IMP_core.NeighborsTable___str__(self)
7988 r"""__repr__(NeighborsTable self) -> std::string"""
7989 return _IMP_core.NeighborsTable___repr__(self)
7993 return _object_cast_to_NeighborsTable(o)
7997 _IMP_core.NeighborsTable_swigregister(NeighborsTable)
7998 class NormalMover(MonteCarloMover):
7999 r"""Proxy of C++ IMP::core::NormalMover class."""
8001 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8003 def __init__(self, *args):
8005 __init__(NormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> NormalMover
8006 __init__(NormalMover self, Model m, ParticleIndex pi, double stddev) -> NormalMover
8007 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> NormalMover
8008 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> NormalMover
8009 __init__(NormalMover self) -> NormalMover
8011 _IMP_core.NormalMover_swiginit(self, _IMP_core.new_NormalMover(*args))
8013 def set_sigma(self, sigma):
8014 r"""set_sigma(NormalMover self, IMP::Float sigma)"""
8015 return _IMP_core.NormalMover_set_sigma(self, sigma)
8017 def get_sigma(self):
8018 r"""get_sigma(NormalMover self) -> IMP::Float"""
8019 return _IMP_core.NormalMover_get_sigma(self)
8021 def get_version_info(self):
8022 r"""get_version_info(NormalMover self) -> VersionInfo"""
8023 return _IMP_core.NormalMover_get_version_info(self)
8024 __swig_destroy__ = _IMP_core.delete_NormalMover
8027 r"""__str__(NormalMover self) -> std::string"""
8028 return _IMP_core.NormalMover___str__(self)
8031 r"""__repr__(NormalMover self) -> std::string"""
8032 return _IMP_core.NormalMover___repr__(self)
8036 return _object_cast_to_NormalMover(o)
8039 def _get_as_binary(self):
8040 r"""_get_as_binary(NormalMover self) -> PyObject *"""
8041 return _IMP_core.NormalMover__get_as_binary(self)
8043 def _set_from_binary(self, p):
8044 r"""_set_from_binary(NormalMover self, PyObject * p)"""
8045 return _IMP_core.NormalMover__set_from_binary(self, p)
8047 def __getstate__(self):
8048 p = self._get_as_binary()
8049 if len(self.__dict__) > 1:
8050 d = self.__dict__.copy()
8055 def __setstate__(self, p):
8056 if not hasattr(self,
'this'):
8058 if isinstance(p, tuple):
8060 self.__dict__.update(d)
8061 return self._set_from_binary(p)
8065 _IMP_core.NormalMover_swigregister(NormalMover)
8066 class OpenCubicSpline(_OpenCubicSplineBase):
8067 r"""Proxy of C++ IMP::core::OpenCubicSpline class."""
8069 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8071 def __init__(self, values, minrange, spacing, extend=False):
8072 r"""__init__(OpenCubicSpline self, IMP::Floats const & values, IMP::Float minrange, IMP::Float spacing, bool extend=False) -> OpenCubicSpline"""
8073 _IMP_core.OpenCubicSpline_swiginit(self, _IMP_core.new_OpenCubicSpline(values, minrange, spacing, extend))
8075 def get_minrange(self):
8076 r"""get_minrange(OpenCubicSpline self) -> IMP::Float"""
8077 return _IMP_core.OpenCubicSpline_get_minrange(self)
8079 def get_spacing(self):
8080 r"""get_spacing(OpenCubicSpline self) -> IMP::Float"""
8081 return _IMP_core.OpenCubicSpline_get_spacing(self)
8083 def get_values(self):
8084 r"""get_values(OpenCubicSpline self) -> IMP::Floats"""
8085 return _IMP_core.OpenCubicSpline_get_values(self)
8087 def get_extend(self):
8088 r"""get_extend(OpenCubicSpline self) -> bool"""
8089 return _IMP_core.OpenCubicSpline_get_extend(self)
8091 def get_second_derivatives(self):
8092 r"""get_second_derivatives(OpenCubicSpline self) -> IMP::Floats"""
8093 return _IMP_core.OpenCubicSpline_get_second_derivatives(self)
8096 r"""__str__(OpenCubicSpline self) -> std::string"""
8097 return _IMP_core.OpenCubicSpline___str__(self)
8100 r"""__repr__(OpenCubicSpline self) -> std::string"""
8101 return _IMP_core.OpenCubicSpline___repr__(self)
8105 return _object_cast_to_OpenCubicSpline(o)
8109 import jax.numpy
as jnp
8110 from IMP.core._jax_util
import _spline
8111 def score(feature, minrange, maxrange, spacing, values, second_derivs):
8113 feature = jnp.clip(feature, minrange, maxrange)
8115 lowbin = jnp.array((feature - minrange) / spacing, dtype=int)
8116 return _spline(feature, minrange, lowbin, lowbin + 1, spacing,
8117 values, second_derivs)
8118 spacing = self.get_spacing()
8119 minrange = self.get_minrange()
8120 values = jnp.asarray(self.get_values())
8121 maxrange = minrange + spacing * (len(values) - 1)
8122 return functools.partial(
8123 score, minrange=minrange, maxrange=maxrange,
8124 spacing=spacing, values=values,
8125 second_derivs=jnp.asarray(self.get_second_derivatives()))
8127 __swig_destroy__ = _IMP_core.delete_OpenCubicSpline
8130 _IMP_core.OpenCubicSpline_swigregister(OpenCubicSpline)
8131 class QuadraticClosePairsFinder(ClosePairsFinder):
8132 r"""Proxy of C++ IMP::core::QuadraticClosePairsFinder class."""
8134 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8137 r"""__init__(QuadraticClosePairsFinder self) -> QuadraticClosePairsFinder"""
8138 _IMP_core.QuadraticClosePairsFinder_swiginit(self, _IMP_core.new_QuadraticClosePairsFinder())
8140 def get_are_close_and_filtered(self, *args):
8142 get_are_close_and_filtered(QuadraticClosePairsFinder self, Particle a, Particle b) -> bool
8143 get_are_close_and_filtered(QuadraticClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b) -> bool
8145 return _IMP_core.QuadraticClosePairsFinder_get_are_close_and_filtered(self, *args)
8147 def get_close_pairs(self, *args):
8149 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
8150 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
8151 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
8152 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
8154 return _IMP_core.QuadraticClosePairsFinder_get_close_pairs(self, *args)
8156 def do_get_inputs(self, m, pis):
8157 r"""do_get_inputs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8158 return _IMP_core.QuadraticClosePairsFinder_do_get_inputs(self, m, pis)
8160 def get_version_info(self):
8161 r"""get_version_info(QuadraticClosePairsFinder self) -> VersionInfo"""
8162 return _IMP_core.QuadraticClosePairsFinder_get_version_info(self)
8163 __swig_destroy__ = _IMP_core.delete_QuadraticClosePairsFinder
8166 r"""__str__(QuadraticClosePairsFinder self) -> std::string"""
8167 return _IMP_core.QuadraticClosePairsFinder___str__(self)
8170 r"""__repr__(QuadraticClosePairsFinder self) -> std::string"""
8171 return _IMP_core.QuadraticClosePairsFinder___repr__(self)
8175 return _object_cast_to_QuadraticClosePairsFinder(o)
8179 _IMP_core.QuadraticClosePairsFinder_swigregister(QuadraticClosePairsFinder)
8181 r"""Proxy of C++ IMP::core::RefinedPairsPairScore class."""
8183 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8185 def __init__(self, r, f):
8186 r"""__init__(RefinedPairsPairScore self, Refiner r, PairScore f) -> RefinedPairsPairScore"""
8187 _IMP_core.RefinedPairsPairScore_swiginit(self, _IMP_core.new_RefinedPairsPairScore(r, f))
8189 def do_get_inputs(self, m, pis):
8190 r"""do_get_inputs(RefinedPairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8191 return _IMP_core.RefinedPairsPairScore_do_get_inputs(self, m, pis)
8193 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
8194 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"""
8195 return _IMP_core.RefinedPairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
8197 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8198 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"""
8199 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
8201 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
8202 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"""
8203 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
8205 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8206 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"""
8207 return _IMP_core.RefinedPairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
8209 def get_version_info(self):
8210 r"""get_version_info(RefinedPairsPairScore self) -> VersionInfo"""
8211 return _IMP_core.RefinedPairsPairScore_get_version_info(self)
8212 __swig_destroy__ = _IMP_core.delete_RefinedPairsPairScore
8215 r"""__str__(RefinedPairsPairScore self) -> std::string"""
8216 return _IMP_core.RefinedPairsPairScore___str__(self)
8219 r"""__repr__(RefinedPairsPairScore self) -> std::string"""
8220 return _IMP_core.RefinedPairsPairScore___repr__(self)
8224 return _object_cast_to_RefinedPairsPairScore(o)
8228 _IMP_core.RefinedPairsPairScore_swigregister(RefinedPairsPairScore)
8229 class RigidBody(XYZ):
8230 r"""Proxy of C++ IMP::core::RigidBody class."""
8232 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8234 def get_rigid_members(self):
8235 r"""get_rigid_members(RigidBody self) -> IMP::core::RigidMembers"""
8236 return _IMP_core.RigidBody_get_rigid_members(self)
8239 def get_rotation_key():
8240 r"""get_rotation_key() -> Vector4DDerivKey"""
8241 return _IMP_core.RigidBody_get_rotation_key()
8243 def get_member_particle_indexes(self):
8244 r"""get_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
8245 return _IMP_core.RigidBody_get_member_particle_indexes(self)
8247 def get_body_member_particle_indexes(self):
8248 r"""get_body_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
8249 return _IMP_core.RigidBody_get_body_member_particle_indexes(self)
8251 def get_member_indexes(self):
8252 r"""get_member_indexes(RigidBody self) -> IMP::ParticleIndexes"""
8253 return _IMP_core.RigidBody_get_member_indexes(self)
8255 def show(self, *args):
8256 r"""show(RigidBody self, _ostream out=std::cout)"""
8257 return _IMP_core.RigidBody_show(self, *args)
8260 def setup_particle(*args):
8262 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor ps) -> RigidBody
8263 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor ps) -> RigidBody
8264 setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf) -> RigidBody
8265 setup_particle(_ParticleAdaptor pa, ReferenceFrame3D rf) -> RigidBody
8267 return _IMP_core.RigidBody_setup_particle(*args)
8270 def teardown_particle(rb):
8271 r"""teardown_particle(RigidBody rb)"""
8272 return _IMP_core.RigidBody_teardown_particle(rb)
8274 def __init__(self, *args):
8276 __init__(RigidBody self) -> RigidBody
8277 __init__(RigidBody self, Model m, ParticleIndex id) -> RigidBody
8278 __init__(RigidBody self, _ParticleAdaptor d) -> RigidBody
8279 __init__(RigidBody self, RigidBody arg2) -> RigidBody
8281 _IMP_core.RigidBody_swiginit(self, _IMP_core.new_RigidBody(*args))
8282 __swig_destroy__ = _IMP_core.delete_RigidBody
8285 def get_is_setup(*args):
8287 get_is_setup(_ParticleAdaptor p) -> bool
8288 get_is_setup(Model m, ParticleIndex pi) -> bool
8290 return _IMP_core.RigidBody_get_is_setup(*args)
8292 def get_coordinates(self):
8293 r"""get_coordinates(RigidBody self) -> Vector3D"""
8294 return _IMP_core.RigidBody_get_coordinates(self)
8296 def get_rotation(self):
8297 r"""get_rotation(RigidBody self) -> Rotation3D"""
8298 return _IMP_core.RigidBody_get_rotation(self)
8300 def get_reference_frame(self):
8301 r"""get_reference_frame(RigidBody self) -> ReferenceFrame3D"""
8302 return _IMP_core.RigidBody_get_reference_frame(self)
8304 def set_reference_frame(self, tr):
8305 r"""set_reference_frame(RigidBody self, ReferenceFrame3D tr)"""
8306 return _IMP_core.RigidBody_set_reference_frame(self, tr)
8308 def set_reference_frame_lazy(self, tr):
8309 r"""set_reference_frame_lazy(RigidBody self, ReferenceFrame3D tr)"""
8310 return _IMP_core.RigidBody_set_reference_frame_lazy(self, tr)
8312 def set_reference_frame_from_members(self, members):
8313 r"""set_reference_frame_from_members(RigidBody self, IMP::ParticleIndexes const & members)"""
8314 return _IMP_core.RigidBody_set_reference_frame_from_members(self, members)
8316 def pull_back_members_adjoints(self, da):
8317 r"""pull_back_members_adjoints(RigidBody self, DerivativeAccumulator da)"""
8318 return _IMP_core.RigidBody_pull_back_members_adjoints(self, da)
8320 def pull_back_member_adjoints(self, pi, da):
8321 r"""pull_back_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8322 return _IMP_core.RigidBody_pull_back_member_adjoints(self, pi, da)
8324 def pull_back_body_member_adjoints(self, pi, da):
8325 r"""pull_back_body_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8326 return _IMP_core.RigidBody_pull_back_body_member_adjoints(self, pi, da)
8328 def add_to_rotational_derivatives(self, qderiv, da):
8329 r"""add_to_rotational_derivatives(RigidBody self, Vector4D qderiv, DerivativeAccumulator da)"""
8330 return _IMP_core.RigidBody_add_to_rotational_derivatives(self, qderiv, da)
8332 def add_to_torque(self, torque_local, da):
8333 r"""add_to_torque(RigidBody self, Vector3D torque_local, DerivativeAccumulator da)"""
8334 return _IMP_core.RigidBody_add_to_torque(self, torque_local, da)
8336 def get_torque(self):
8337 r"""get_torque(RigidBody self) -> Vector3D"""
8338 return _IMP_core.RigidBody_get_torque(self)
8340 def get_coordinates_are_optimized(self):
8341 r"""get_coordinates_are_optimized(RigidBody self) -> bool"""
8342 return _IMP_core.RigidBody_get_coordinates_are_optimized(self)
8344 def set_coordinates_are_optimized(self, tf):
8345 r"""set_coordinates_are_optimized(RigidBody self, bool tf)"""
8346 return _IMP_core.RigidBody_set_coordinates_are_optimized(self, tf)
8348 def normalize_rotation(self):
8349 r"""normalize_rotation(RigidBody self)"""
8350 return _IMP_core.RigidBody_normalize_rotation(self)
8352 def update_members(self):
8353 r"""update_members(RigidBody self)"""
8354 return _IMP_core.RigidBody_update_members(self)
8356 def get_rotational_derivatives(self):
8357 r"""get_rotational_derivatives(RigidBody self) -> Vector4D"""
8358 return _IMP_core.RigidBody_get_rotational_derivatives(self)
8360 def get_number_of_members(self):
8361 r"""get_number_of_members(RigidBody self) -> unsigned int"""
8362 return _IMP_core.RigidBody_get_number_of_members(self)
8364 def get_member(self, i):
8365 r"""get_member(RigidBody self, unsigned int i) -> RigidBodyMember"""
8366 return _IMP_core.RigidBody_get_member(self, i)
8368 def add_member(self, p):
8369 r"""add_member(RigidBody self, _ParticleIndexAdaptor p)"""
8370 return _IMP_core.RigidBody_add_member(self, p)
8372 def add_non_rigid_member(self, p):
8373 r"""add_non_rigid_member(RigidBody self, _ParticleIndexAdaptor p)"""
8374 return _IMP_core.RigidBody_add_non_rigid_member(self, p)
8376 def set_is_rigid_member(self, pi, tf):
8377 r"""set_is_rigid_member(RigidBody self, ParticleIndex pi, bool tf)"""
8378 return _IMP_core.RigidBody_set_is_rigid_member(self, pi, tf)
8380 def remove_member(self, p):
8381 r"""remove_member(RigidBody self, _ParticleIndexAdaptor p)"""
8382 return _IMP_core.RigidBody_remove_member(self, p)
8384 def add_attribute(self, *args):
8386 add_attribute(RigidBody self, FloatKey k, IMP::Float v, bool opt)
8387 add_attribute(RigidBody self, FloatKey a0, IMP::Float a1)
8388 add_attribute(RigidBody self, IntKey a0, IMP::Int a1)
8389 add_attribute(RigidBody self, FloatsKey a0, IMP::Floats a1)
8390 add_attribute(RigidBody self, IntsKey a0, IMP::Ints a1)
8391 add_attribute(RigidBody self, StringKey a0, IMP::String a1)
8392 add_attribute(RigidBody self, ParticleIndexKey a0, Particle a1)
8393 add_attribute(RigidBody self, ObjectKey a0, Object a1)
8394 add_attribute(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8395 add_attribute(RigidBody self, SparseIntKey a0, IMP::Int a1)
8396 add_attribute(RigidBody self, SparseStringKey a0, IMP::String a1)
8397 add_attribute(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8399 return _IMP_core.RigidBody_add_attribute(self, *args)
8401 def get_value(self, *args):
8403 get_value(RigidBody self, FloatKey a0) -> IMP::Float
8404 get_value(RigidBody self, IntKey a0) -> IMP::Int
8405 get_value(RigidBody self, FloatsKey a0) -> IMP::Floats
8406 get_value(RigidBody self, IntsKey a0) -> IMP::Ints
8407 get_value(RigidBody self, StringKey a0) -> IMP::String
8408 get_value(RigidBody self, ParticleIndexKey a0) -> Particle
8409 get_value(RigidBody self, ObjectKey a0) -> Object
8410 get_value(RigidBody self, SparseFloatKey a0) -> IMP::Float
8411 get_value(RigidBody self, SparseIntKey a0) -> IMP::Int
8412 get_value(RigidBody self, SparseStringKey a0) -> IMP::String
8413 get_value(RigidBody self, SparseParticleIndexKey a0) -> ParticleIndex
8415 return _IMP_core.RigidBody_get_value(self, *args)
8417 def set_value(self, *args):
8419 set_value(RigidBody self, FloatKey a0, IMP::Float a1)
8420 set_value(RigidBody self, IntKey a0, IMP::Int a1)
8421 set_value(RigidBody self, FloatsKey a0, IMP::Floats a1)
8422 set_value(RigidBody self, IntsKey a0, IMP::Ints a1)
8423 set_value(RigidBody self, StringKey a0, IMP::String a1)
8424 set_value(RigidBody self, ParticleIndexKey a0, Particle a1)
8425 set_value(RigidBody self, ObjectKey a0, Object a1)
8426 set_value(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8427 set_value(RigidBody self, SparseIntKey a0, IMP::Int a1)
8428 set_value(RigidBody self, SparseStringKey a0, IMP::String a1)
8429 set_value(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8431 return _IMP_core.RigidBody_set_value(self, *args)
8433 def remove_attribute(self, *args):
8435 remove_attribute(RigidBody self, FloatKey a0)
8436 remove_attribute(RigidBody self, IntKey a0)
8437 remove_attribute(RigidBody self, FloatsKey a0)
8438 remove_attribute(RigidBody self, IntsKey a0)
8439 remove_attribute(RigidBody self, StringKey a0)
8440 remove_attribute(RigidBody self, ParticleIndexKey a0)
8441 remove_attribute(RigidBody self, ObjectKey a0)
8442 remove_attribute(RigidBody self, SparseFloatKey a0)
8443 remove_attribute(RigidBody self, SparseIntKey a0)
8444 remove_attribute(RigidBody self, SparseStringKey a0)
8445 remove_attribute(RigidBody self, SparseParticleIndexKey a0)
8447 return _IMP_core.RigidBody_remove_attribute(self, *args)
8449 def has_attribute(self, *args):
8451 has_attribute(RigidBody self, FloatKey a0) -> bool
8452 has_attribute(RigidBody self, IntKey a0) -> bool
8453 has_attribute(RigidBody self, FloatsKey a0) -> bool
8454 has_attribute(RigidBody self, IntsKey a0) -> bool
8455 has_attribute(RigidBody self, StringKey a0) -> bool
8456 has_attribute(RigidBody self, ParticleIndexKey a0) -> bool
8457 has_attribute(RigidBody self, ObjectKey a0) -> bool
8458 has_attribute(RigidBody self, SparseFloatKey a0) -> bool
8459 has_attribute(RigidBody self, SparseIntKey a0) -> bool
8460 has_attribute(RigidBody self, SparseStringKey a0) -> bool
8461 has_attribute(RigidBody self, SparseParticleIndexKey a0) -> bool
8463 return _IMP_core.RigidBody_has_attribute(self, *args)
8465 def get_derivative(self, a0):
8466 r"""get_derivative(RigidBody self, FloatKey a0) -> double"""
8467 return _IMP_core.RigidBody_get_derivative(self, a0)
8470 r"""get_name(RigidBody self) -> std::string"""
8471 return _IMP_core.RigidBody_get_name(self)
8473 def clear_caches(self):
8474 r"""clear_caches(RigidBody self)"""
8475 return _IMP_core.RigidBody_clear_caches(self)
8477 def set_name(self, a0):
8478 r"""set_name(RigidBody self, std::string a0)"""
8479 return _IMP_core.RigidBody_set_name(self, a0)
8482 r"""set_check_level(RigidBody self, IMP::CheckLevel a0)"""
8483 return _IMP_core.RigidBody_set_check_level(self, a0)
8485 def add_to_derivative(self, a0, a1, a2):
8486 r"""add_to_derivative(RigidBody self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8487 return _IMP_core.RigidBody_add_to_derivative(self, a0, a1, a2)
8489 def set_is_optimized(self, a0, a1):
8490 r"""set_is_optimized(RigidBody self, FloatKey a0, bool a1)"""
8491 return _IMP_core.RigidBody_set_is_optimized(self, a0, a1)
8493 def get_is_optimized(self, a0):
8494 r"""get_is_optimized(RigidBody self, FloatKey a0) -> bool"""
8495 return _IMP_core.RigidBody_get_is_optimized(self, a0)
8498 r"""get_check_level(RigidBody self) -> IMP::CheckLevel"""
8499 return _IMP_core.RigidBody_get_check_level(self)
8501 def __eq__(self, *args):
8503 __eq__(RigidBody self, RigidBody o) -> bool
8504 __eq__(RigidBody self, Particle d) -> bool
8506 return _IMP_core.RigidBody___eq__(self, *args)
8508 def __ne__(self, *args):
8510 __ne__(RigidBody self, RigidBody o) -> bool
8511 __ne__(RigidBody self, Particle d) -> bool
8513 return _IMP_core.RigidBody___ne__(self, *args)
8515 def __le__(self, *args):
8517 __le__(RigidBody self, RigidBody o) -> bool
8518 __le__(RigidBody self, Particle d) -> bool
8520 return _IMP_core.RigidBody___le__(self, *args)
8522 def __lt__(self, *args):
8524 __lt__(RigidBody self, RigidBody o) -> bool
8525 __lt__(RigidBody self, Particle d) -> bool
8527 return _IMP_core.RigidBody___lt__(self, *args)
8529 def __ge__(self, *args):
8531 __ge__(RigidBody self, RigidBody o) -> bool
8532 __ge__(RigidBody self, Particle d) -> bool
8534 return _IMP_core.RigidBody___ge__(self, *args)
8536 def __gt__(self, *args):
8538 __gt__(RigidBody self, RigidBody o) -> bool
8539 __gt__(RigidBody self, Particle d) -> bool
8541 return _IMP_core.RigidBody___gt__(self, *args)
8544 r"""__hash__(RigidBody self) -> std::size_t"""
8545 return _IMP_core.RigidBody___hash__(self)
8548 r"""__str__(RigidBody self) -> std::string"""
8549 return _IMP_core.RigidBody___str__(self)
8552 r"""__repr__(RigidBody self) -> std::string"""
8553 return _IMP_core.RigidBody___repr__(self)
8555 def _get_as_binary(self):
8556 r"""_get_as_binary(RigidBody self) -> PyObject *"""
8557 return _IMP_core.RigidBody__get_as_binary(self)
8559 def _set_from_binary(self, p):
8560 r"""_set_from_binary(RigidBody self, PyObject * p)"""
8561 return _IMP_core.RigidBody__set_from_binary(self, p)
8563 def __getstate__(self):
8564 p = self._get_as_binary()
8565 if len(self.__dict__) > 1:
8566 d = self.__dict__.copy()
8571 def __setstate__(self, p):
8572 if not hasattr(self,
'this'):
8574 if isinstance(p, tuple):
8576 self.__dict__.update(d)
8577 return self._set_from_binary(p)
8581 _IMP_core.RigidBody_swigregister(RigidBody)
8584 r"""add_rigid_body_cache_key(ObjectKey k)"""
8585 return _IMP_core.add_rigid_body_cache_key(k)
8586 class RigidBodyMember(XYZ):
8587 r"""Proxy of C++ IMP::core::RigidBodyMember class."""
8589 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8591 def show(self, *args):
8592 r"""show(RigidBodyMember self, _ostream out=std::cout)"""
8593 return _IMP_core.RigidBodyMember_show(self, *args)
8595 def get_rigid_body(self):
8596 r"""get_rigid_body(RigidBodyMember self) -> RigidBody"""
8597 return _IMP_core.RigidBodyMember_get_rigid_body(self)
8599 def get_internal_coordinates(self):
8600 r"""get_internal_coordinates(RigidBodyMember self) -> Vector3D"""
8601 return _IMP_core.RigidBodyMember_get_internal_coordinates(self)
8603 def set_internal_coordinates(self, v):
8604 r"""set_internal_coordinates(RigidBodyMember self, Vector3D v)"""
8605 return _IMP_core.RigidBodyMember_set_internal_coordinates(self, v)
8607 def set_internal_transformation(self, v):
8608 r"""set_internal_transformation(RigidBodyMember self, Transformation3D v)"""
8609 return _IMP_core.RigidBodyMember_set_internal_transformation(self, v)
8611 def get_internal_transformation(self):
8612 r"""get_internal_transformation(RigidBodyMember self) -> Transformation3D"""
8613 return _IMP_core.RigidBodyMember_get_internal_transformation(self)
8614 __swig_destroy__ = _IMP_core.delete_RigidBodyMember
8616 def set_coordinates(self, *args):
8618 set_coordinates(RigidBodyMember self, Vector3D center)
8619 set_coordinates(RigidBodyMember self, Transformation3D tr)
8621 return _IMP_core.RigidBodyMember_set_coordinates(self, *args)
8623 def __init__(self, *args):
8625 __init__(RigidBodyMember self) -> RigidBodyMember
8626 __init__(RigidBodyMember self, Model m, ParticleIndex id) -> RigidBodyMember
8627 __init__(RigidBodyMember self, _ParticleAdaptor d) -> RigidBodyMember
8628 __init__(RigidBodyMember self, RigidBodyMember arg2) -> RigidBodyMember
8630 _IMP_core.RigidBodyMember_swiginit(self, _IMP_core.new_RigidBodyMember(*args))
8633 def get_is_setup(*args):
8635 get_is_setup(_ParticleAdaptor p) -> bool
8636 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
8638 return _IMP_core.RigidBodyMember_get_is_setup(*args)
8641 def get_internal_coordinate_keys():
8642 r"""get_internal_coordinate_keys() -> IMP::FloatKeys"""
8643 return _IMP_core.RigidBodyMember_get_internal_coordinate_keys()
8646 def get_internal_rotation_key():
8647 r"""get_internal_rotation_key() -> Vector4DDerivKey"""
8648 return _IMP_core.RigidBodyMember_get_internal_rotation_key()
8650 def add_attribute(self, *args):
8652 add_attribute(RigidBodyMember self, FloatKey k, IMP::Float v, bool opt)
8653 add_attribute(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8654 add_attribute(RigidBodyMember self, IntKey a0, IMP::Int a1)
8655 add_attribute(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8656 add_attribute(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8657 add_attribute(RigidBodyMember self, StringKey a0, IMP::String a1)
8658 add_attribute(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8659 add_attribute(RigidBodyMember self, ObjectKey a0, Object a1)
8660 add_attribute(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8661 add_attribute(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8662 add_attribute(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8663 add_attribute(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8665 return _IMP_core.RigidBodyMember_add_attribute(self, *args)
8667 def get_value(self, *args):
8669 get_value(RigidBodyMember self, FloatKey a0) -> IMP::Float
8670 get_value(RigidBodyMember self, IntKey a0) -> IMP::Int
8671 get_value(RigidBodyMember self, FloatsKey a0) -> IMP::Floats
8672 get_value(RigidBodyMember self, IntsKey a0) -> IMP::Ints
8673 get_value(RigidBodyMember self, StringKey a0) -> IMP::String
8674 get_value(RigidBodyMember self, ParticleIndexKey a0) -> Particle
8675 get_value(RigidBodyMember self, ObjectKey a0) -> Object
8676 get_value(RigidBodyMember self, SparseFloatKey a0) -> IMP::Float
8677 get_value(RigidBodyMember self, SparseIntKey a0) -> IMP::Int
8678 get_value(RigidBodyMember self, SparseStringKey a0) -> IMP::String
8679 get_value(RigidBodyMember self, SparseParticleIndexKey a0) -> ParticleIndex
8681 return _IMP_core.RigidBodyMember_get_value(self, *args)
8683 def set_value(self, *args):
8685 set_value(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8686 set_value(RigidBodyMember self, IntKey a0, IMP::Int a1)
8687 set_value(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8688 set_value(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8689 set_value(RigidBodyMember self, StringKey a0, IMP::String a1)
8690 set_value(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8691 set_value(RigidBodyMember self, ObjectKey a0, Object a1)
8692 set_value(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8693 set_value(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8694 set_value(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8695 set_value(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8697 return _IMP_core.RigidBodyMember_set_value(self, *args)
8699 def remove_attribute(self, *args):
8701 remove_attribute(RigidBodyMember self, FloatKey a0)
8702 remove_attribute(RigidBodyMember self, IntKey a0)
8703 remove_attribute(RigidBodyMember self, FloatsKey a0)
8704 remove_attribute(RigidBodyMember self, IntsKey a0)
8705 remove_attribute(RigidBodyMember self, StringKey a0)
8706 remove_attribute(RigidBodyMember self, ParticleIndexKey a0)
8707 remove_attribute(RigidBodyMember self, ObjectKey a0)
8708 remove_attribute(RigidBodyMember self, SparseFloatKey a0)
8709 remove_attribute(RigidBodyMember self, SparseIntKey a0)
8710 remove_attribute(RigidBodyMember self, SparseStringKey a0)
8711 remove_attribute(RigidBodyMember self, SparseParticleIndexKey a0)
8713 return _IMP_core.RigidBodyMember_remove_attribute(self, *args)
8715 def has_attribute(self, *args):
8717 has_attribute(RigidBodyMember self, FloatKey a0) -> bool
8718 has_attribute(RigidBodyMember self, IntKey a0) -> bool
8719 has_attribute(RigidBodyMember self, FloatsKey a0) -> bool
8720 has_attribute(RigidBodyMember self, IntsKey a0) -> bool
8721 has_attribute(RigidBodyMember self, StringKey a0) -> bool
8722 has_attribute(RigidBodyMember self, ParticleIndexKey a0) -> bool
8723 has_attribute(RigidBodyMember self, ObjectKey a0) -> bool
8724 has_attribute(RigidBodyMember self, SparseFloatKey a0) -> bool
8725 has_attribute(RigidBodyMember self, SparseIntKey a0) -> bool
8726 has_attribute(RigidBodyMember self, SparseStringKey a0) -> bool
8727 has_attribute(RigidBodyMember self, SparseParticleIndexKey a0) -> bool
8729 return _IMP_core.RigidBodyMember_has_attribute(self, *args)
8731 def get_derivative(self, a0):
8732 r"""get_derivative(RigidBodyMember self, FloatKey a0) -> double"""
8733 return _IMP_core.RigidBodyMember_get_derivative(self, a0)
8736 r"""get_name(RigidBodyMember self) -> std::string"""
8737 return _IMP_core.RigidBodyMember_get_name(self)
8739 def clear_caches(self):
8740 r"""clear_caches(RigidBodyMember self)"""
8741 return _IMP_core.RigidBodyMember_clear_caches(self)
8743 def set_name(self, a0):
8744 r"""set_name(RigidBodyMember self, std::string a0)"""
8745 return _IMP_core.RigidBodyMember_set_name(self, a0)
8748 r"""set_check_level(RigidBodyMember self, IMP::CheckLevel a0)"""
8749 return _IMP_core.RigidBodyMember_set_check_level(self, a0)
8751 def add_to_derivative(self, a0, a1, a2):
8752 r"""add_to_derivative(RigidBodyMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8753 return _IMP_core.RigidBodyMember_add_to_derivative(self, a0, a1, a2)
8755 def set_is_optimized(self, a0, a1):
8756 r"""set_is_optimized(RigidBodyMember self, FloatKey a0, bool a1)"""
8757 return _IMP_core.RigidBodyMember_set_is_optimized(self, a0, a1)
8759 def get_is_optimized(self, a0):
8760 r"""get_is_optimized(RigidBodyMember self, FloatKey a0) -> bool"""
8761 return _IMP_core.RigidBodyMember_get_is_optimized(self, a0)
8764 r"""get_check_level(RigidBodyMember self) -> IMP::CheckLevel"""
8765 return _IMP_core.RigidBodyMember_get_check_level(self)
8767 def __eq__(self, *args):
8769 __eq__(RigidBodyMember self, RigidBodyMember o) -> bool
8770 __eq__(RigidBodyMember self, Particle d) -> bool
8772 return _IMP_core.RigidBodyMember___eq__(self, *args)
8774 def __ne__(self, *args):
8776 __ne__(RigidBodyMember self, RigidBodyMember o) -> bool
8777 __ne__(RigidBodyMember self, Particle d) -> bool
8779 return _IMP_core.RigidBodyMember___ne__(self, *args)
8781 def __le__(self, *args):
8783 __le__(RigidBodyMember self, RigidBodyMember o) -> bool
8784 __le__(RigidBodyMember self, Particle d) -> bool
8786 return _IMP_core.RigidBodyMember___le__(self, *args)
8788 def __lt__(self, *args):
8790 __lt__(RigidBodyMember self, RigidBodyMember o) -> bool
8791 __lt__(RigidBodyMember self, Particle d) -> bool
8793 return _IMP_core.RigidBodyMember___lt__(self, *args)
8795 def __ge__(self, *args):
8797 __ge__(RigidBodyMember self, RigidBodyMember o) -> bool
8798 __ge__(RigidBodyMember self, Particle d) -> bool
8800 return _IMP_core.RigidBodyMember___ge__(self, *args)
8802 def __gt__(self, *args):
8804 __gt__(RigidBodyMember self, RigidBodyMember o) -> bool
8805 __gt__(RigidBodyMember self, Particle d) -> bool
8807 return _IMP_core.RigidBodyMember___gt__(self, *args)
8810 r"""__hash__(RigidBodyMember self) -> std::size_t"""
8811 return _IMP_core.RigidBodyMember___hash__(self)
8814 r"""__str__(RigidBodyMember self) -> std::string"""
8815 return _IMP_core.RigidBodyMember___str__(self)
8818 r"""__repr__(RigidBodyMember self) -> std::string"""
8819 return _IMP_core.RigidBodyMember___repr__(self)
8821 def _get_as_binary(self):
8822 r"""_get_as_binary(RigidBodyMember self) -> PyObject *"""
8823 return _IMP_core.RigidBodyMember__get_as_binary(self)
8825 def _set_from_binary(self, p):
8826 r"""_set_from_binary(RigidBodyMember self, PyObject * p)"""
8827 return _IMP_core.RigidBodyMember__set_from_binary(self, p)
8829 def __getstate__(self):
8830 p = self._get_as_binary()
8831 if len(self.__dict__) > 1:
8832 d = self.__dict__.copy()
8837 def __setstate__(self, p):
8838 if not hasattr(self,
'this'):
8840 if isinstance(p, tuple):
8842 self.__dict__.update(d)
8843 return self._set_from_binary(p)
8847 _IMP_core.RigidBodyMember_swigregister(RigidBodyMember)
8848 class RigidMember(RigidBodyMember):
8849 r"""Proxy of C++ IMP::core::RigidMember class."""
8851 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8853 def show(self, *args):
8854 r"""show(RigidMember self, _ostream out=std::cout)"""
8855 return _IMP_core.RigidMember_show(self, *args)
8857 def __init__(self, *args):
8859 __init__(RigidMember self) -> RigidMember
8860 __init__(RigidMember self, Model m, ParticleIndex id) -> RigidMember
8861 __init__(RigidMember self, _ParticleAdaptor d) -> RigidMember
8862 __init__(RigidMember self, RigidMember arg2) -> RigidMember
8864 _IMP_core.RigidMember_swiginit(self, _IMP_core.new_RigidMember(*args))
8865 __swig_destroy__ = _IMP_core.delete_RigidMember
8868 def get_is_setup(*args):
8870 get_is_setup(_ParticleAdaptor p) -> bool
8871 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
8873 return _IMP_core.RigidMember_get_is_setup(*args)
8875 def add_attribute(self, *args):
8877 add_attribute(RigidMember self, FloatKey k, IMP::Float v, bool opt)
8878 add_attribute(RigidMember self, FloatKey a0, IMP::Float a1)
8879 add_attribute(RigidMember self, IntKey a0, IMP::Int a1)
8880 add_attribute(RigidMember self, FloatsKey a0, IMP::Floats a1)
8881 add_attribute(RigidMember self, IntsKey a0, IMP::Ints a1)
8882 add_attribute(RigidMember self, StringKey a0, IMP::String a1)
8883 add_attribute(RigidMember self, ParticleIndexKey a0, Particle a1)
8884 add_attribute(RigidMember self, ObjectKey a0, Object a1)
8885 add_attribute(RigidMember self, SparseFloatKey a0, IMP::Float a1)
8886 add_attribute(RigidMember self, SparseIntKey a0, IMP::Int a1)
8887 add_attribute(RigidMember self, SparseStringKey a0, IMP::String a1)
8888 add_attribute(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8890 return _IMP_core.RigidMember_add_attribute(self, *args)
8892 def get_value(self, *args):
8894 get_value(RigidMember self, FloatKey a0) -> IMP::Float
8895 get_value(RigidMember self, IntKey a0) -> IMP::Int
8896 get_value(RigidMember self, FloatsKey a0) -> IMP::Floats
8897 get_value(RigidMember self, IntsKey a0) -> IMP::Ints
8898 get_value(RigidMember self, StringKey a0) -> IMP::String
8899 get_value(RigidMember self, ParticleIndexKey a0) -> Particle
8900 get_value(RigidMember self, ObjectKey a0) -> Object
8901 get_value(RigidMember self, SparseFloatKey a0) -> IMP::Float
8902 get_value(RigidMember self, SparseIntKey a0) -> IMP::Int
8903 get_value(RigidMember self, SparseStringKey a0) -> IMP::String
8904 get_value(RigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
8906 return _IMP_core.RigidMember_get_value(self, *args)
8908 def set_value(self, *args):
8910 set_value(RigidMember self, FloatKey a0, IMP::Float a1)
8911 set_value(RigidMember self, IntKey a0, IMP::Int a1)
8912 set_value(RigidMember self, FloatsKey a0, IMP::Floats a1)
8913 set_value(RigidMember self, IntsKey a0, IMP::Ints a1)
8914 set_value(RigidMember self, StringKey a0, IMP::String a1)
8915 set_value(RigidMember self, ParticleIndexKey a0, Particle a1)
8916 set_value(RigidMember self, ObjectKey a0, Object a1)
8917 set_value(RigidMember self, SparseFloatKey a0, IMP::Float a1)
8918 set_value(RigidMember self, SparseIntKey a0, IMP::Int a1)
8919 set_value(RigidMember self, SparseStringKey a0, IMP::String a1)
8920 set_value(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8922 return _IMP_core.RigidMember_set_value(self, *args)
8924 def remove_attribute(self, *args):
8926 remove_attribute(RigidMember self, FloatKey a0)
8927 remove_attribute(RigidMember self, IntKey a0)
8928 remove_attribute(RigidMember self, FloatsKey a0)
8929 remove_attribute(RigidMember self, IntsKey a0)
8930 remove_attribute(RigidMember self, StringKey a0)
8931 remove_attribute(RigidMember self, ParticleIndexKey a0)
8932 remove_attribute(RigidMember self, ObjectKey a0)
8933 remove_attribute(RigidMember self, SparseFloatKey a0)
8934 remove_attribute(RigidMember self, SparseIntKey a0)
8935 remove_attribute(RigidMember self, SparseStringKey a0)
8936 remove_attribute(RigidMember self, SparseParticleIndexKey a0)
8938 return _IMP_core.RigidMember_remove_attribute(self, *args)
8940 def has_attribute(self, *args):
8942 has_attribute(RigidMember self, FloatKey a0) -> bool
8943 has_attribute(RigidMember self, IntKey a0) -> bool
8944 has_attribute(RigidMember self, FloatsKey a0) -> bool
8945 has_attribute(RigidMember self, IntsKey a0) -> bool
8946 has_attribute(RigidMember self, StringKey a0) -> bool
8947 has_attribute(RigidMember self, ParticleIndexKey a0) -> bool
8948 has_attribute(RigidMember self, ObjectKey a0) -> bool
8949 has_attribute(RigidMember self, SparseFloatKey a0) -> bool
8950 has_attribute(RigidMember self, SparseIntKey a0) -> bool
8951 has_attribute(RigidMember self, SparseStringKey a0) -> bool
8952 has_attribute(RigidMember self, SparseParticleIndexKey a0) -> bool
8954 return _IMP_core.RigidMember_has_attribute(self, *args)
8956 def get_derivative(self, a0):
8957 r"""get_derivative(RigidMember self, FloatKey a0) -> double"""
8958 return _IMP_core.RigidMember_get_derivative(self, a0)
8961 r"""get_name(RigidMember self) -> std::string"""
8962 return _IMP_core.RigidMember_get_name(self)
8964 def clear_caches(self):
8965 r"""clear_caches(RigidMember self)"""
8966 return _IMP_core.RigidMember_clear_caches(self)
8968 def set_name(self, a0):
8969 r"""set_name(RigidMember self, std::string a0)"""
8970 return _IMP_core.RigidMember_set_name(self, a0)
8973 r"""set_check_level(RigidMember self, IMP::CheckLevel a0)"""
8974 return _IMP_core.RigidMember_set_check_level(self, a0)
8976 def add_to_derivative(self, a0, a1, a2):
8977 r"""add_to_derivative(RigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8978 return _IMP_core.RigidMember_add_to_derivative(self, a0, a1, a2)
8980 def set_is_optimized(self, a0, a1):
8981 r"""set_is_optimized(RigidMember self, FloatKey a0, bool a1)"""
8982 return _IMP_core.RigidMember_set_is_optimized(self, a0, a1)
8984 def get_is_optimized(self, a0):
8985 r"""get_is_optimized(RigidMember self, FloatKey a0) -> bool"""
8986 return _IMP_core.RigidMember_get_is_optimized(self, a0)
8989 r"""get_check_level(RigidMember self) -> IMP::CheckLevel"""
8990 return _IMP_core.RigidMember_get_check_level(self)
8992 def __eq__(self, *args):
8994 __eq__(RigidMember self, RigidMember o) -> bool
8995 __eq__(RigidMember self, Particle d) -> bool
8997 return _IMP_core.RigidMember___eq__(self, *args)
8999 def __ne__(self, *args):
9001 __ne__(RigidMember self, RigidMember o) -> bool
9002 __ne__(RigidMember self, Particle d) -> bool
9004 return _IMP_core.RigidMember___ne__(self, *args)
9006 def __le__(self, *args):
9008 __le__(RigidMember self, RigidMember o) -> bool
9009 __le__(RigidMember self, Particle d) -> bool
9011 return _IMP_core.RigidMember___le__(self, *args)
9013 def __lt__(self, *args):
9015 __lt__(RigidMember self, RigidMember o) -> bool
9016 __lt__(RigidMember self, Particle d) -> bool
9018 return _IMP_core.RigidMember___lt__(self, *args)
9020 def __ge__(self, *args):
9022 __ge__(RigidMember self, RigidMember o) -> bool
9023 __ge__(RigidMember self, Particle d) -> bool
9025 return _IMP_core.RigidMember___ge__(self, *args)
9027 def __gt__(self, *args):
9029 __gt__(RigidMember self, RigidMember o) -> bool
9030 __gt__(RigidMember self, Particle d) -> bool
9032 return _IMP_core.RigidMember___gt__(self, *args)
9035 r"""__hash__(RigidMember self) -> std::size_t"""
9036 return _IMP_core.RigidMember___hash__(self)
9039 r"""__str__(RigidMember self) -> std::string"""
9040 return _IMP_core.RigidMember___str__(self)
9043 r"""__repr__(RigidMember self) -> std::string"""
9044 return _IMP_core.RigidMember___repr__(self)
9046 def _get_as_binary(self):
9047 r"""_get_as_binary(RigidMember self) -> PyObject *"""
9048 return _IMP_core.RigidMember__get_as_binary(self)
9050 def _set_from_binary(self, p):
9051 r"""_set_from_binary(RigidMember self, PyObject * p)"""
9052 return _IMP_core.RigidMember__set_from_binary(self, p)
9054 def __getstate__(self):
9055 p = self._get_as_binary()
9056 if len(self.__dict__) > 1:
9057 d = self.__dict__.copy()
9062 def __setstate__(self, p):
9063 if not hasattr(self,
'this'):
9065 if isinstance(p, tuple):
9067 self.__dict__.update(d)
9068 return self._set_from_binary(p)
9072 _IMP_core.RigidMember_swigregister(RigidMember)
9073 class NonRigidMember(RigidBodyMember):
9074 r"""Proxy of C++ IMP::core::NonRigidMember class."""
9076 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9078 def show(self, *args):
9079 r"""show(NonRigidMember self, _ostream out=std::cout)"""
9080 return _IMP_core.NonRigidMember_show(self, *args)
9082 def __init__(self, *args):
9084 __init__(NonRigidMember self) -> NonRigidMember
9085 __init__(NonRigidMember self, Model m, ParticleIndex id) -> NonRigidMember
9086 __init__(NonRigidMember self, _ParticleAdaptor d) -> NonRigidMember
9087 __init__(NonRigidMember self, NonRigidMember arg2) -> NonRigidMember
9089 _IMP_core.NonRigidMember_swiginit(self, _IMP_core.new_NonRigidMember(*args))
9090 __swig_destroy__ = _IMP_core.delete_NonRigidMember
9093 def get_is_setup(*args):
9095 get_is_setup(_ParticleAdaptor p) -> bool
9096 get_is_setup(Model m, ParticleIndex p) -> bool
9098 return _IMP_core.NonRigidMember_get_is_setup(*args)
9100 def add_to_internal_derivatives(self, deriv_parent, da):
9101 r"""add_to_internal_derivatives(NonRigidMember self, Vector3D deriv_parent, DerivativeAccumulator da)"""
9102 return _IMP_core.NonRigidMember_add_to_internal_derivatives(self, deriv_parent, da)
9104 def add_to_internal_rotational_derivatives(self, qderiv, da):
9105 r"""add_to_internal_rotational_derivatives(NonRigidMember self, Vector4D qderiv, DerivativeAccumulator da)"""
9106 return _IMP_core.NonRigidMember_add_to_internal_rotational_derivatives(self, qderiv, da)
9108 def get_internal_derivatives(self):
9109 r"""get_internal_derivatives(NonRigidMember self) -> Vector3D"""
9110 return _IMP_core.NonRigidMember_get_internal_derivatives(self)
9112 def get_internal_rotational_derivatives(self):
9113 r"""get_internal_rotational_derivatives(NonRigidMember self) -> Vector4D"""
9114 return _IMP_core.NonRigidMember_get_internal_rotational_derivatives(self)
9116 def add_attribute(self, *args):
9118 add_attribute(NonRigidMember self, FloatKey k, IMP::Float v, bool opt)
9119 add_attribute(NonRigidMember self, FloatKey a0, IMP::Float a1)
9120 add_attribute(NonRigidMember self, IntKey a0, IMP::Int a1)
9121 add_attribute(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
9122 add_attribute(NonRigidMember self, IntsKey a0, IMP::Ints a1)
9123 add_attribute(NonRigidMember self, StringKey a0, IMP::String a1)
9124 add_attribute(NonRigidMember self, ParticleIndexKey a0, Particle a1)
9125 add_attribute(NonRigidMember self, ObjectKey a0, Object a1)
9126 add_attribute(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
9127 add_attribute(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
9128 add_attribute(NonRigidMember self, SparseStringKey a0, IMP::String a1)
9129 add_attribute(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
9131 return _IMP_core.NonRigidMember_add_attribute(self, *args)
9133 def get_value(self, *args):
9135 get_value(NonRigidMember self, FloatKey a0) -> IMP::Float
9136 get_value(NonRigidMember self, IntKey a0) -> IMP::Int
9137 get_value(NonRigidMember self, FloatsKey a0) -> IMP::Floats
9138 get_value(NonRigidMember self, IntsKey a0) -> IMP::Ints
9139 get_value(NonRigidMember self, StringKey a0) -> IMP::String
9140 get_value(NonRigidMember self, ParticleIndexKey a0) -> Particle
9141 get_value(NonRigidMember self, ObjectKey a0) -> Object
9142 get_value(NonRigidMember self, SparseFloatKey a0) -> IMP::Float
9143 get_value(NonRigidMember self, SparseIntKey a0) -> IMP::Int
9144 get_value(NonRigidMember self, SparseStringKey a0) -> IMP::String
9145 get_value(NonRigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
9147 return _IMP_core.NonRigidMember_get_value(self, *args)
9149 def set_value(self, *args):
9151 set_value(NonRigidMember self, FloatKey a0, IMP::Float a1)
9152 set_value(NonRigidMember self, IntKey a0, IMP::Int a1)
9153 set_value(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
9154 set_value(NonRigidMember self, IntsKey a0, IMP::Ints a1)
9155 set_value(NonRigidMember self, StringKey a0, IMP::String a1)
9156 set_value(NonRigidMember self, ParticleIndexKey a0, Particle a1)
9157 set_value(NonRigidMember self, ObjectKey a0, Object a1)
9158 set_value(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
9159 set_value(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
9160 set_value(NonRigidMember self, SparseStringKey a0, IMP::String a1)
9161 set_value(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
9163 return _IMP_core.NonRigidMember_set_value(self, *args)
9165 def remove_attribute(self, *args):
9167 remove_attribute(NonRigidMember self, FloatKey a0)
9168 remove_attribute(NonRigidMember self, IntKey a0)
9169 remove_attribute(NonRigidMember self, FloatsKey a0)
9170 remove_attribute(NonRigidMember self, IntsKey a0)
9171 remove_attribute(NonRigidMember self, StringKey a0)
9172 remove_attribute(NonRigidMember self, ParticleIndexKey a0)
9173 remove_attribute(NonRigidMember self, ObjectKey a0)
9174 remove_attribute(NonRigidMember self, SparseFloatKey a0)
9175 remove_attribute(NonRigidMember self, SparseIntKey a0)
9176 remove_attribute(NonRigidMember self, SparseStringKey a0)
9177 remove_attribute(NonRigidMember self, SparseParticleIndexKey a0)
9179 return _IMP_core.NonRigidMember_remove_attribute(self, *args)
9181 def has_attribute(self, *args):
9183 has_attribute(NonRigidMember self, FloatKey a0) -> bool
9184 has_attribute(NonRigidMember self, IntKey a0) -> bool
9185 has_attribute(NonRigidMember self, FloatsKey a0) -> bool
9186 has_attribute(NonRigidMember self, IntsKey a0) -> bool
9187 has_attribute(NonRigidMember self, StringKey a0) -> bool
9188 has_attribute(NonRigidMember self, ParticleIndexKey a0) -> bool
9189 has_attribute(NonRigidMember self, ObjectKey a0) -> bool
9190 has_attribute(NonRigidMember self, SparseFloatKey a0) -> bool
9191 has_attribute(NonRigidMember self, SparseIntKey a0) -> bool
9192 has_attribute(NonRigidMember self, SparseStringKey a0) -> bool
9193 has_attribute(NonRigidMember self, SparseParticleIndexKey a0) -> bool
9195 return _IMP_core.NonRigidMember_has_attribute(self, *args)
9197 def get_derivative(self, a0):
9198 r"""get_derivative(NonRigidMember self, FloatKey a0) -> double"""
9199 return _IMP_core.NonRigidMember_get_derivative(self, a0)
9202 r"""get_name(NonRigidMember self) -> std::string"""
9203 return _IMP_core.NonRigidMember_get_name(self)
9205 def clear_caches(self):
9206 r"""clear_caches(NonRigidMember self)"""
9207 return _IMP_core.NonRigidMember_clear_caches(self)
9209 def set_name(self, a0):
9210 r"""set_name(NonRigidMember self, std::string a0)"""
9211 return _IMP_core.NonRigidMember_set_name(self, a0)
9214 r"""set_check_level(NonRigidMember self, IMP::CheckLevel a0)"""
9215 return _IMP_core.NonRigidMember_set_check_level(self, a0)
9217 def add_to_derivative(self, a0, a1, a2):
9218 r"""add_to_derivative(NonRigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9219 return _IMP_core.NonRigidMember_add_to_derivative(self, a0, a1, a2)
9221 def set_is_optimized(self, a0, a1):
9222 r"""set_is_optimized(NonRigidMember self, FloatKey a0, bool a1)"""
9223 return _IMP_core.NonRigidMember_set_is_optimized(self, a0, a1)
9225 def get_is_optimized(self, a0):
9226 r"""get_is_optimized(NonRigidMember self, FloatKey a0) -> bool"""
9227 return _IMP_core.NonRigidMember_get_is_optimized(self, a0)
9230 r"""get_check_level(NonRigidMember self) -> IMP::CheckLevel"""
9231 return _IMP_core.NonRigidMember_get_check_level(self)
9233 def __eq__(self, *args):
9235 __eq__(NonRigidMember self, NonRigidMember o) -> bool
9236 __eq__(NonRigidMember self, Particle d) -> bool
9238 return _IMP_core.NonRigidMember___eq__(self, *args)
9240 def __ne__(self, *args):
9242 __ne__(NonRigidMember self, NonRigidMember o) -> bool
9243 __ne__(NonRigidMember self, Particle d) -> bool
9245 return _IMP_core.NonRigidMember___ne__(self, *args)
9247 def __le__(self, *args):
9249 __le__(NonRigidMember self, NonRigidMember o) -> bool
9250 __le__(NonRigidMember self, Particle d) -> bool
9252 return _IMP_core.NonRigidMember___le__(self, *args)
9254 def __lt__(self, *args):
9256 __lt__(NonRigidMember self, NonRigidMember o) -> bool
9257 __lt__(NonRigidMember self, Particle d) -> bool
9259 return _IMP_core.NonRigidMember___lt__(self, *args)
9261 def __ge__(self, *args):
9263 __ge__(NonRigidMember self, NonRigidMember o) -> bool
9264 __ge__(NonRigidMember self, Particle d) -> bool
9266 return _IMP_core.NonRigidMember___ge__(self, *args)
9268 def __gt__(self, *args):
9270 __gt__(NonRigidMember self, NonRigidMember o) -> bool
9271 __gt__(NonRigidMember self, Particle d) -> bool
9273 return _IMP_core.NonRigidMember___gt__(self, *args)
9276 r"""__hash__(NonRigidMember self) -> std::size_t"""
9277 return _IMP_core.NonRigidMember___hash__(self)
9280 r"""__str__(NonRigidMember self) -> std::string"""
9281 return _IMP_core.NonRigidMember___str__(self)
9284 r"""__repr__(NonRigidMember self) -> std::string"""
9285 return _IMP_core.NonRigidMember___repr__(self)
9287 def _get_as_binary(self):
9288 r"""_get_as_binary(NonRigidMember self) -> PyObject *"""
9289 return _IMP_core.NonRigidMember__get_as_binary(self)
9291 def _set_from_binary(self, p):
9292 r"""_set_from_binary(NonRigidMember self, PyObject * p)"""
9293 return _IMP_core.NonRigidMember__set_from_binary(self, p)
9295 def __getstate__(self):
9296 p = self._get_as_binary()
9297 if len(self.__dict__) > 1:
9298 d = self.__dict__.copy()
9303 def __setstate__(self, p):
9304 if not hasattr(self,
'this'):
9306 if isinstance(p, tuple):
9308 self.__dict__.update(d)
9309 return self._set_from_binary(p)
9313 _IMP_core.NonRigidMember_swigregister(NonRigidMember)
9315 r"""Proxy of C++ IMP::core::RigidMembersRefiner class."""
9317 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9319 def __init__(self, *args):
9320 r"""__init__(RigidMembersRefiner self, std::string name="RigidMembersRefiner%d") -> RigidMembersRefiner"""
9321 _IMP_core.RigidMembersRefiner_swiginit(self, _IMP_core.new_RigidMembersRefiner(*args))
9323 def do_get_inputs(self, m, pis):
9324 r"""do_get_inputs(RigidMembersRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9325 return _IMP_core.RigidMembersRefiner_do_get_inputs(self, m, pis)
9327 def get_version_info(self):
9328 r"""get_version_info(RigidMembersRefiner self) -> VersionInfo"""
9329 return _IMP_core.RigidMembersRefiner_get_version_info(self)
9330 __swig_destroy__ = _IMP_core.delete_RigidMembersRefiner
9333 r"""__str__(RigidMembersRefiner self) -> std::string"""
9334 return _IMP_core.RigidMembersRefiner___str__(self)
9337 r"""__repr__(RigidMembersRefiner self) -> std::string"""
9338 return _IMP_core.RigidMembersRefiner___repr__(self)
9342 return _object_cast_to_RigidMembersRefiner(o)
9346 _IMP_core.RigidMembersRefiner_swigregister(RigidMembersRefiner)
9348 def get_rigid_members_refiner():
9349 r"""get_rigid_members_refiner() -> RigidMembersRefiner"""
9350 return _IMP_core.get_rigid_members_refiner()
9354 transform(XYZ a, Transformation3D tr)
9355 transform(RigidBody a, Transformation3D tr)
9357 return _IMP_core.transform(*args)
9361 get_initial_reference_frame(Model m, IMP::ParticleIndexes const & pis) -> ReferenceFrame3D
9362 get_initial_reference_frame(IMP::ParticlesTemp const & ps) -> ReferenceFrame3D
9364 return _IMP_core.get_initial_reference_frame(*args)
9367 r"""create_rigid_bodies(Model m, unsigned int n, bool no_members=False) -> IMP::ParticlesTemp"""
9368 return _IMP_core.create_rigid_bodies(m, n, no_members)
9371 r"""show_rigid_body_hierarchy(RigidBody rb, TextOutput out=IMP::TextOutput(std::cout))"""
9372 return _IMP_core.show_rigid_body_hierarchy(*args)
9375 r"""get_root_rigid_body(RigidMember m) -> ParticleIndex"""
9376 return _IMP_core.get_root_rigid_body(m)
9378 r"""Proxy of C++ IMP::core::internal::_UpdateRigidBodyMembers class."""
9380 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9382 def __init__(self, *args):
9383 r"""__init__(_UpdateRigidBodyMembers self, std::string name="UpdateRigidBodyMembers%1%") -> _UpdateRigidBodyMembers"""
9384 _IMP_core._UpdateRigidBodyMembers_swiginit(self, _IMP_core.new__UpdateRigidBodyMembers(*args))
9386 def do_get_inputs(self, m, pis):
9387 r"""do_get_inputs(_UpdateRigidBodyMembers self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9388 return _IMP_core._UpdateRigidBodyMembers_do_get_inputs(self, m, pis)
9390 def do_get_outputs(self, m, pis):
9391 r"""do_get_outputs(_UpdateRigidBodyMembers self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9392 return _IMP_core._UpdateRigidBodyMembers_do_get_outputs(self, m, pis)
9394 def get_version_info(self):
9395 r"""get_version_info(_UpdateRigidBodyMembers self) -> VersionInfo"""
9396 return _IMP_core._UpdateRigidBodyMembers_get_version_info(self)
9397 __swig_destroy__ = _IMP_core.delete__UpdateRigidBodyMembers
9400 r"""__str__(_UpdateRigidBodyMembers self) -> std::string"""
9401 return _IMP_core._UpdateRigidBodyMembers___str__(self)
9404 r"""__repr__(_UpdateRigidBodyMembers self) -> std::string"""
9405 return _IMP_core._UpdateRigidBodyMembers___repr__(self)
9409 return _object_cast_to__UpdateRigidBodyMembers(o)
9413 _IMP_core._UpdateRigidBodyMembers_swigregister(_UpdateRigidBodyMembers)
9415 r"""Proxy of C++ IMP::core::internal::_AccumulateRigidBodyDerivatives class."""
9417 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9419 def __init__(self, *args):
9420 r"""__init__(_AccumulateRigidBodyDerivatives self, std::string name="AccumulateRigidBodyDerivatives%1%") -> _AccumulateRigidBodyDerivatives"""
9421 _IMP_core._AccumulateRigidBodyDerivatives_swiginit(self, _IMP_core.new__AccumulateRigidBodyDerivatives(*args))
9423 def do_get_inputs(self, m, pis):
9424 r"""do_get_inputs(_AccumulateRigidBodyDerivatives self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9425 return _IMP_core._AccumulateRigidBodyDerivatives_do_get_inputs(self, m, pis)
9427 def do_get_outputs(self, m, pis):
9428 r"""do_get_outputs(_AccumulateRigidBodyDerivatives self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9429 return _IMP_core._AccumulateRigidBodyDerivatives_do_get_outputs(self, m, pis)
9431 def get_version_info(self):
9432 r"""get_version_info(_AccumulateRigidBodyDerivatives self) -> VersionInfo"""
9433 return _IMP_core._AccumulateRigidBodyDerivatives_get_version_info(self)
9434 __swig_destroy__ = _IMP_core.delete__AccumulateRigidBodyDerivatives
9437 r"""__str__(_AccumulateRigidBodyDerivatives self) -> std::string"""
9438 return _IMP_core._AccumulateRigidBodyDerivatives___str__(self)
9441 r"""__repr__(_AccumulateRigidBodyDerivatives self) -> std::string"""
9442 return _IMP_core._AccumulateRigidBodyDerivatives___repr__(self)
9446 return _object_cast_to__AccumulateRigidBodyDerivatives(o)
9450 _IMP_core._AccumulateRigidBodyDerivatives_swigregister(_AccumulateRigidBodyDerivatives)
9452 r"""Proxy of C++ IMP::core::internal::_NormalizeRotation class."""
9454 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9456 def __init__(self, *args):
9457 r"""__init__(_NormalizeRotation self, std::string name="NormalizeRotation%1%") -> _NormalizeRotation"""
9458 _IMP_core._NormalizeRotation_swiginit(self, _IMP_core.new__NormalizeRotation(*args))
9460 def do_get_inputs(self, m, pis):
9461 r"""do_get_inputs(_NormalizeRotation self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9462 return _IMP_core._NormalizeRotation_do_get_inputs(self, m, pis)
9464 def do_get_outputs(self, m, pis):
9465 r"""do_get_outputs(_NormalizeRotation self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9466 return _IMP_core._NormalizeRotation_do_get_outputs(self, m, pis)
9468 def get_version_info(self):
9469 r"""get_version_info(_NormalizeRotation self) -> VersionInfo"""
9470 return _IMP_core._NormalizeRotation_get_version_info(self)
9471 __swig_destroy__ = _IMP_core.delete__NormalizeRotation
9474 r"""__str__(_NormalizeRotation self) -> std::string"""
9475 return _IMP_core._NormalizeRotation___str__(self)
9478 r"""__repr__(_NormalizeRotation self) -> std::string"""
9479 return _IMP_core._NormalizeRotation___repr__(self)
9483 return _object_cast_to__NormalizeRotation(o)
9487 _IMP_core._NormalizeRotation_swigregister(_NormalizeRotation)
9489 r"""Proxy of C++ IMP::core::internal::_RigidBodyNormalizeConstraint class."""
9491 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9493 def __init__(self, *args, **kwargs):
9494 raise AttributeError(
"No constructor defined - class is abstract")
9496 def get_before_modifier(self):
9497 r"""get_before_modifier(_RigidBodyNormalizeConstraint self) -> _NormalizeRotation"""
9498 return _IMP_core._RigidBodyNormalizeConstraint_get_before_modifier(self)
9500 def get_container(self):
9501 r"""get_container(_RigidBodyNormalizeConstraint self) -> Container"""
9502 return _IMP_core._RigidBodyNormalizeConstraint_get_container(self)
9504 def get_version_info(self):
9505 r"""get_version_info(_RigidBodyNormalizeConstraint self) -> VersionInfo"""
9506 return _IMP_core._RigidBodyNormalizeConstraint_get_version_info(self)
9507 __swig_destroy__ = _IMP_core.delete__RigidBodyNormalizeConstraint
9510 r"""__str__(_RigidBodyNormalizeConstraint self) -> std::string"""
9511 return _IMP_core._RigidBodyNormalizeConstraint___str__(self)
9514 r"""__repr__(_RigidBodyNormalizeConstraint self) -> std::string"""
9515 return _IMP_core._RigidBodyNormalizeConstraint___repr__(self)
9519 return _object_cast_to__RigidBodyNormalizeConstraint(o)
9523 from IMP.algebra._jax_util
import _quaternion_normalize
9525 normalize_rotations = jax.vmap(_quaternion_normalize, in_axes=0)
9528 allrbs = jm[
'rigid_bodies']
9529 allrbs.quaternion = normalize_rotations(allrbs.quaternion)
9531 return self._wrap_jax(apply_func, keys=[
'rigid_bodies'])
9535 _IMP_core._RigidBodyNormalizeConstraint_swigregister(_RigidBodyNormalizeConstraint)
9537 r"""Proxy of C++ IMP::core::internal::_RigidBodyPositionConstraint class."""
9539 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9541 def __init__(self, *args, **kwargs):
9542 raise AttributeError(
"No constructor defined - class is abstract")
9544 def get_version_info(self):
9545 r"""get_version_info(_RigidBodyPositionConstraint self) -> VersionInfo"""
9546 return _IMP_core._RigidBodyPositionConstraint_get_version_info(self)
9547 __swig_destroy__ = _IMP_core.delete__RigidBodyPositionConstraint
9549 def get_before_modifier(self):
9550 r"""get_before_modifier(_RigidBodyPositionConstraint self) -> _UpdateRigidBodyMembers"""
9551 return _IMP_core._RigidBodyPositionConstraint_get_before_modifier(self)
9553 def get_after_modifier(self):
9554 r"""get_after_modifier(_RigidBodyPositionConstraint self) -> _AccumulateRigidBodyDerivatives"""
9555 return _IMP_core._RigidBodyPositionConstraint_get_after_modifier(self)
9558 r"""get_index(_RigidBodyPositionConstraint self) -> ParticleIndex"""
9559 return _IMP_core._RigidBodyPositionConstraint_get_index(self)
9562 r"""__str__(_RigidBodyPositionConstraint self) -> std::string"""
9563 return _IMP_core._RigidBodyPositionConstraint___str__(self)
9566 r"""__repr__(_RigidBodyPositionConstraint self) -> std::string"""
9567 return _IMP_core._RigidBodyPositionConstraint___repr__(self)
9571 return _object_cast_to__RigidBodyPositionConstraint(o)
9578 bodies = jm[
'rigid_bodies'].bodies
9583 jm = body.update_members(jm)
9585 return self._wrap_jax(apply_func, keys=[
'rigid_bodies'])
9589 _IMP_core._RigidBodyPositionConstraint_swigregister(_RigidBodyPositionConstraint)
9591 r"""Proxy of C++ IMP::core::RigidBodyHierarchyGeometry class."""
9593 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9595 def __init__(self, rb, constituents):
9596 r"""__init__(RigidBodyHierarchyGeometry self, RigidBody rb, IMP::ParticlesTemp const & constituents) -> RigidBodyHierarchyGeometry"""
9597 _IMP_core.RigidBodyHierarchyGeometry_swiginit(self, _IMP_core.new_RigidBodyHierarchyGeometry(rb, constituents))
9599 def get_version_info(self):
9600 r"""get_version_info(RigidBodyHierarchyGeometry self) -> VersionInfo"""
9601 return _IMP_core.RigidBodyHierarchyGeometry_get_version_info(self)
9602 __swig_destroy__ = _IMP_core.delete_RigidBodyHierarchyGeometry
9605 r"""__str__(RigidBodyHierarchyGeometry self) -> std::string"""
9606 return _IMP_core.RigidBodyHierarchyGeometry___str__(self)
9609 r"""__repr__(RigidBodyHierarchyGeometry self) -> std::string"""
9610 return _IMP_core.RigidBodyHierarchyGeometry___repr__(self)
9614 return _object_cast_to_RigidBodyHierarchyGeometry(o)
9618 _IMP_core.RigidBodyHierarchyGeometry_swigregister(RigidBodyHierarchyGeometry)
9620 r"""Proxy of C++ IMP::core::RigidBodyDerivativeGeometry class."""
9622 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9624 def __init__(self, *args):
9626 __init__(RigidBodyDerivativeGeometry self, Particle p) -> RigidBodyDerivativeGeometry
9627 __init__(RigidBodyDerivativeGeometry self, RigidBody d) -> RigidBodyDerivativeGeometry
9629 _IMP_core.RigidBodyDerivativeGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativeGeometry(*args))
9631 def get_version_info(self):
9632 r"""get_version_info(RigidBodyDerivativeGeometry self) -> VersionInfo"""
9633 return _IMP_core.RigidBodyDerivativeGeometry_get_version_info(self)
9634 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativeGeometry
9637 r"""__str__(RigidBodyDerivativeGeometry self) -> std::string"""
9638 return _IMP_core.RigidBodyDerivativeGeometry___str__(self)
9641 r"""__repr__(RigidBodyDerivativeGeometry self) -> std::string"""
9642 return _IMP_core.RigidBodyDerivativeGeometry___repr__(self)
9646 return _object_cast_to_RigidBodyDerivativeGeometry(o)
9650 _IMP_core.RigidBodyDerivativeGeometry_swigregister(RigidBodyDerivativeGeometry)
9652 r"""Proxy of C++ IMP::core::RigidBodyDerivativesGeometry class."""
9654 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9656 def __init__(self, sc):
9657 r"""__init__(RigidBodyDerivativesGeometry self, SingletonContainer sc) -> RigidBodyDerivativesGeometry"""
9658 _IMP_core.RigidBodyDerivativesGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativesGeometry(sc))
9660 def get_version_info(self):
9661 r"""get_version_info(RigidBodyDerivativesGeometry self) -> VersionInfo"""
9662 return _IMP_core.RigidBodyDerivativesGeometry_get_version_info(self)
9663 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativesGeometry
9666 r"""__str__(RigidBodyDerivativesGeometry self) -> std::string"""
9667 return _IMP_core.RigidBodyDerivativesGeometry___str__(self)
9670 r"""__repr__(RigidBodyDerivativesGeometry self) -> std::string"""
9671 return _IMP_core.RigidBodyDerivativesGeometry___repr__(self)
9675 return _object_cast_to_RigidBodyDerivativesGeometry(o)
9679 _IMP_core.RigidBodyDerivativesGeometry_swigregister(RigidBodyDerivativesGeometry)
9681 r"""Proxy of C++ IMP::core::RigidBodyFrameGeometry class."""
9683 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9685 def __init__(self, *args):
9687 __init__(RigidBodyFrameGeometry self, Particle p) -> RigidBodyFrameGeometry
9688 __init__(RigidBodyFrameGeometry self, RigidBody d) -> RigidBodyFrameGeometry
9690 _IMP_core.RigidBodyFrameGeometry_swiginit(self, _IMP_core.new_RigidBodyFrameGeometry(*args))
9692 def get_version_info(self):
9693 r"""get_version_info(RigidBodyFrameGeometry self) -> VersionInfo"""
9694 return _IMP_core.RigidBodyFrameGeometry_get_version_info(self)
9695 __swig_destroy__ = _IMP_core.delete_RigidBodyFrameGeometry
9698 r"""__str__(RigidBodyFrameGeometry self) -> std::string"""
9699 return _IMP_core.RigidBodyFrameGeometry___str__(self)
9702 r"""__repr__(RigidBodyFrameGeometry self) -> std::string"""
9703 return _IMP_core.RigidBodyFrameGeometry___repr__(self)
9707 return _object_cast_to_RigidBodyFrameGeometry(o)
9711 _IMP_core.RigidBodyFrameGeometry_swigregister(RigidBodyFrameGeometry)
9713 r"""Proxy of C++ IMP::core::RigidBodyFramesGeometry class."""
9715 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9717 def __init__(self, sc):
9718 r"""__init__(RigidBodyFramesGeometry self, SingletonContainer sc) -> RigidBodyFramesGeometry"""
9719 _IMP_core.RigidBodyFramesGeometry_swiginit(self, _IMP_core.new_RigidBodyFramesGeometry(sc))
9721 def get_version_info(self):
9722 r"""get_version_info(RigidBodyFramesGeometry self) -> VersionInfo"""
9723 return _IMP_core.RigidBodyFramesGeometry_get_version_info(self)
9724 __swig_destroy__ = _IMP_core.delete_RigidBodyFramesGeometry
9727 r"""__str__(RigidBodyFramesGeometry self) -> std::string"""
9728 return _IMP_core.RigidBodyFramesGeometry___str__(self)
9731 r"""__repr__(RigidBodyFramesGeometry self) -> std::string"""
9732 return _IMP_core.RigidBodyFramesGeometry___repr__(self)
9736 return _object_cast_to_RigidBodyFramesGeometry(o)
9740 _IMP_core.RigidBodyFramesGeometry_swigregister(RigidBodyFramesGeometry)
9742 r"""Proxy of C++ IMP::core::RigidBodyTorque class."""
9744 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9746 def __init__(self, p):
9747 r"""__init__(RigidBodyTorque self, Particle p) -> RigidBodyTorque"""
9748 _IMP_core.RigidBodyTorque_swiginit(self, _IMP_core.new_RigidBodyTorque(p))
9751 r"""__str__(RigidBodyTorque self) -> std::string"""
9752 return _IMP_core.RigidBodyTorque___str__(self)
9755 r"""__repr__(RigidBodyTorque self) -> std::string"""
9756 return _IMP_core.RigidBodyTorque___repr__(self)
9760 return _object_cast_to_RigidBodyTorque(o)
9762 __swig_destroy__ = _IMP_core.delete_RigidBodyTorque
9765 _IMP_core.RigidBodyTorque_swigregister(RigidBodyTorque)
9766 class NearestNeighborsClosePairsFinder(ClosePairsFinder):
9767 r"""Proxy of C++ IMP::core::NearestNeighborsClosePairsFinder class."""
9769 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9772 r"""__init__(NearestNeighborsClosePairsFinder self) -> NearestNeighborsClosePairsFinder"""
9773 _IMP_core.NearestNeighborsClosePairsFinder_swiginit(self, _IMP_core.new_NearestNeighborsClosePairsFinder())
9775 def get_close_pairs(self, *args):
9777 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9778 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9779 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
9780 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
9782 return _IMP_core.NearestNeighborsClosePairsFinder_get_close_pairs(self, *args)
9784 def do_get_inputs(self, m, pis):
9785 r"""do_get_inputs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9786 return _IMP_core.NearestNeighborsClosePairsFinder_do_get_inputs(self, m, pis)
9788 def get_version_info(self):
9789 r"""get_version_info(NearestNeighborsClosePairsFinder self) -> VersionInfo"""
9790 return _IMP_core.NearestNeighborsClosePairsFinder_get_version_info(self)
9791 __swig_destroy__ = _IMP_core.delete_NearestNeighborsClosePairsFinder
9794 r"""__str__(NearestNeighborsClosePairsFinder self) -> std::string"""
9795 return _IMP_core.NearestNeighborsClosePairsFinder___str__(self)
9798 r"""__repr__(NearestNeighborsClosePairsFinder self) -> std::string"""
9799 return _IMP_core.NearestNeighborsClosePairsFinder___repr__(self)
9803 return _object_cast_to_NearestNeighborsClosePairsFinder(o)
9807 _IMP_core.NearestNeighborsClosePairsFinder_swigregister(NearestNeighborsClosePairsFinder)
9809 r"""Proxy of C++ IMP::core::RestraintsScoringFunction class."""
9811 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9813 def __init__(self, *args):
9815 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, double weight=1.0, double max=NO_MAX, std::string name="RestraintsScoringFunction%1%") -> RestraintsScoringFunction
9816 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, std::string name) -> RestraintsScoringFunction
9817 __init__(RestraintsScoringFunction self) -> RestraintsScoringFunction
9819 _IMP_core.RestraintsScoringFunction_swiginit(self, _IMP_core.new_RestraintsScoringFunction(*args))
9821 def do_add_score_and_derivatives(self, sa, ss):
9822 r"""do_add_score_and_derivatives(RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
9823 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives(self, sa, ss)
9825 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
9826 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)"""
9827 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
9829 def do_get_inputs(self):
9830 r"""do_get_inputs(RestraintsScoringFunction self) -> IMP::ModelObjectsTemp"""
9831 return _IMP_core.RestraintsScoringFunction_do_get_inputs(self)
9833 def get_restraints(self):
9834 r"""get_restraints(RestraintsScoringFunction self) -> IMP::Restraints"""
9835 return _IMP_core.RestraintsScoringFunction_get_restraints(self)
9837 def set_restraints(self, d):
9838 r"""set_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9839 return _IMP_core.RestraintsScoringFunction_set_restraints(self, d)
9841 def get_number_of_restraints(self):
9842 r"""get_number_of_restraints(RestraintsScoringFunction self) -> unsigned int"""
9843 return _IMP_core.RestraintsScoringFunction_get_number_of_restraints(self)
9845 def clear_restraints(self):
9846 r"""clear_restraints(RestraintsScoringFunction self)"""
9847 return _IMP_core.RestraintsScoringFunction_clear_restraints(self)
9849 def get_restraint(self, i):
9850 r"""get_restraint(RestraintsScoringFunction self, unsigned int i) -> Restraint"""
9851 return _IMP_core.RestraintsScoringFunction_get_restraint(self, i)
9853 def erase_restraint(self, i):
9854 r"""erase_restraint(RestraintsScoringFunction self, unsigned int i)"""
9855 return _IMP_core.RestraintsScoringFunction_erase_restraint(self, i)
9858 r"""add_restraint(RestraintsScoringFunction self, Restraint d) -> unsigned int"""
9859 return _IMP_core.RestraintsScoringFunction_add_restraint(self, d)
9862 r"""add_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9863 return _IMP_core.RestraintsScoringFunction_add_restraints(self, d)
9865 def _python_index_restraint(self, r, start, stop):
9866 r"""_python_index_restraint(RestraintsScoringFunction self, Restraint r, unsigned int start, unsigned int stop) -> unsigned int"""
9867 return _IMP_core.RestraintsScoringFunction__python_index_restraint(self, r, start, stop)
9868 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)
9869 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
9870 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
9871 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##Restraints")
9873 def get_version_info(self):
9874 r"""get_version_info(RestraintsScoringFunction self) -> VersionInfo"""
9875 return _IMP_core.RestraintsScoringFunction_get_version_info(self)
9876 __swig_destroy__ = _IMP_core.delete_RestraintsScoringFunction
9879 r"""__str__(RestraintsScoringFunction self) -> std::string"""
9880 return _IMP_core.RestraintsScoringFunction___str__(self)
9883 r"""__repr__(RestraintsScoringFunction self) -> std::string"""
9884 return _IMP_core.RestraintsScoringFunction___repr__(self)
9888 return _object_cast_to_RestraintsScoringFunction(o)
9891 def _get_as_binary(self):
9892 r"""_get_as_binary(RestraintsScoringFunction self) -> PyObject *"""
9893 return _IMP_core.RestraintsScoringFunction__get_as_binary(self)
9895 def _set_from_binary(self, p):
9896 r"""_set_from_binary(RestraintsScoringFunction self, PyObject * p)"""
9897 return _IMP_core.RestraintsScoringFunction__set_from_binary(self, p)
9899 def __getstate__(self):
9900 p = self._get_as_binary()
9901 if len(self.__dict__) > 1:
9902 d = self.__dict__.copy()
9907 def __setstate__(self, p):
9908 if not hasattr(self,
'this'):
9910 if isinstance(p, tuple):
9912 self.__dict__.update(d)
9913 return self._set_from_binary(p)
9917 import IMP._jax_util
9918 jis = [r.get_derived_object()._get_jax()
for r
in self.restraints]
9919 funcs = [j.score_func
for j
in jis]
9920 keys = frozenset(x
for j
in jis
for x
in j._keys)
9922 return sum(f(jm)
for f
in funcs)
9923 return IMP._jax_util.JAXRestraintInfo(
9924 m=self.get_model(), score_func=jax_sf, weight=1.0, keys=keys)
9928 _IMP_core.RestraintsScoringFunction_swigregister(RestraintsScoringFunction)
9929 class RigidClosePairsFinder(ClosePairsFinder):
9930 r"""Proxy of C++ IMP::core::RigidClosePairsFinder class."""
9932 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9934 def __init__(self, cpf=None):
9935 r"""__init__(RigidClosePairsFinder self, ClosePairsFinder cpf=None) -> RigidClosePairsFinder"""
9936 _IMP_core.RigidClosePairsFinder_swiginit(self, _IMP_core.new_RigidClosePairsFinder(cpf))
9938 def do_get_inputs(self, m, pis):
9939 r"""do_get_inputs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9940 return _IMP_core.RigidClosePairsFinder_do_get_inputs(self, m, pis)
9942 def get_close_pairs(self, *args):
9944 get_close_pairs(RigidClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b, IMP::ParticleIndexes const & pa, IMP::ParticleIndexes const & pb) -> IMP::ParticleIndexPairs
9945 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9946 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9947 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
9948 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
9950 return _IMP_core.RigidClosePairsFinder_get_close_pairs(self, *args)
9952 def get_version_info(self):
9953 r"""get_version_info(RigidClosePairsFinder self) -> VersionInfo"""
9954 return _IMP_core.RigidClosePairsFinder_get_version_info(self)
9955 __swig_destroy__ = _IMP_core.delete_RigidClosePairsFinder
9958 r"""__str__(RigidClosePairsFinder self) -> std::string"""
9959 return _IMP_core.RigidClosePairsFinder___str__(self)
9962 r"""__repr__(RigidClosePairsFinder self) -> std::string"""
9963 return _IMP_core.RigidClosePairsFinder___repr__(self)
9967 return _object_cast_to_RigidClosePairsFinder(o)
9970 def _get_as_binary(self):
9971 r"""_get_as_binary(RigidClosePairsFinder self) -> PyObject *"""
9972 return _IMP_core.RigidClosePairsFinder__get_as_binary(self)
9974 def _set_from_binary(self, p):
9975 r"""_set_from_binary(RigidClosePairsFinder self, PyObject * p)"""
9976 return _IMP_core.RigidClosePairsFinder__set_from_binary(self, p)
9978 def __getstate__(self):
9979 p = self._get_as_binary()
9980 if len(self.__dict__) > 1:
9981 d = self.__dict__.copy()
9986 def __setstate__(self, p):
9987 if not hasattr(self,
'this'):
9989 if isinstance(p, tuple):
9991 self.__dict__.update(d)
9992 return self._set_from_binary(p)
9996 _IMP_core.RigidClosePairsFinder_swigregister(RigidClosePairsFinder)
9998 r"""Proxy of C++ IMP::core::SphereDistancePairScore class."""
10000 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10001 __repr__ = _swig_repr
10003 def __init__(self, *args):
10005 SphereDistancePairScore(UnaryFunction uf, std::string name="SphereDistancePairScore%1%") -> _SphereDistancePairScore
10006 __init__(_SphereDistancePairScore self) -> _SphereDistancePairScore
10008 _IMP_core._SphereDistancePairScore_swiginit(self, _IMP_core.new__SphereDistancePairScore(*args))
10010 def do_get_inputs(self, m, pis):
10011 r"""do_get_inputs(_SphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10012 return _IMP_core._SphereDistancePairScore_do_get_inputs(self, m, pis)
10014 def get_score_functor(self, *args):
10016 get_score_functor(_SphereDistancePairScore self) -> _SphereDistanceUF
10017 get_score_functor(_SphereDistancePairScore self) -> _SphereDistanceUF
10019 return _IMP_core._SphereDistancePairScore_get_score_functor(self, *args)
10021 def get_version_info(self):
10022 r"""get_version_info(_SphereDistancePairScore self) -> VersionInfo"""
10023 return _IMP_core._SphereDistancePairScore_get_version_info(self)
10024 __swig_destroy__ = _IMP_core.delete__SphereDistancePairScore
10028 return _object_cast_to__SphereDistancePairScore(o)
10031 def _get_as_binary(self):
10032 r"""_get_as_binary(_SphereDistancePairScore self) -> PyObject *"""
10033 return _IMP_core._SphereDistancePairScore__get_as_binary(self)
10035 def _set_from_binary(self, p):
10036 r"""_set_from_binary(_SphereDistancePairScore self, PyObject * p)"""
10037 return _IMP_core._SphereDistancePairScore__set_from_binary(self, p)
10039 def __getstate__(self):
10040 p = self._get_as_binary()
10041 if len(self.__dict__) > 1:
10042 d = self.__dict__.copy()
10047 def __setstate__(self, p):
10048 if not hasattr(self,
'this'):
10050 if isinstance(p, tuple):
10052 self.__dict__.update(d)
10053 return self._set_from_binary(p)
10056 def _get_jax(self, m, indexes):
10057 import jax.numpy
as jnp
10058 def jax_score(jm, uf):
10059 xyzs = jm[
'xyz'][indexes]
10060 rs = jm[
'r'][indexes]
10061 diff = xyzs[:,0] - xyzs[:,1]
10062 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
10064 sfnc = self.get_score_functor()
10065 uf = sfnc.get_unary_function().get_derived_object()
10066 f = functools.partial(jax_score, uf=uf._get_jax())
10067 return self._wrap_jax(m, f)
10071 _IMP_core._SphereDistancePairScore_swigregister(_SphereDistancePairScore)
10072 class HarmonicUpperBoundSphereDistancePairScore(
IMP.PairScore):
10073 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDistancePairScore class."""
10075 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10077 def __init__(self, *args):
10079 __init__(HarmonicUpperBoundSphereDistancePairScore self, double x0, double k, std::string name="HarmonicUpperBoundSphereDistancePairScore%1%") -> HarmonicUpperBoundSphereDistancePairScore
10080 __init__(HarmonicUpperBoundSphereDistancePairScore self) -> HarmonicUpperBoundSphereDistancePairScore
10082 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDistancePairScore(*args))
10084 def do_get_inputs(self, m, pis):
10085 r"""do_get_inputs(HarmonicUpperBoundSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10086 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_do_get_inputs(self, m, pis)
10088 def get_score_functor(self, *args):
10090 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore
10091 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore const &
10093 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_score_functor(self, *args)
10096 r"""get_x0(HarmonicUpperBoundSphereDistancePairScore self) -> double"""
10097 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_x0(self)
10100 r"""get_k(HarmonicUpperBoundSphereDistancePairScore self) -> double"""
10101 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_k(self)
10103 def get_version_info(self):
10104 r"""get_version_info(HarmonicUpperBoundSphereDistancePairScore self) -> VersionInfo"""
10105 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_version_info(self)
10106 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDistancePairScore
10109 r"""__str__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
10110 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___str__(self)
10112 def __repr__(self):
10113 r"""__repr__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
10114 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___repr__(self)
10118 return _object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o)
10121 def _get_as_binary(self):
10122 r"""_get_as_binary(HarmonicUpperBoundSphereDistancePairScore self) -> PyObject *"""
10123 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__get_as_binary(self)
10125 def _set_from_binary(self, p):
10126 r"""_set_from_binary(HarmonicUpperBoundSphereDistancePairScore self, PyObject * p)"""
10127 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__set_from_binary(self, p)
10129 def __getstate__(self):
10130 p = self._get_as_binary()
10131 if len(self.__dict__) > 1:
10132 d = self.__dict__.copy()
10137 def __setstate__(self, p):
10138 if not hasattr(self,
'this'):
10140 if isinstance(p, tuple):
10142 self.__dict__.update(d)
10143 return self._set_from_binary(p)
10146 def _get_jax(self, m, indexes):
10147 import jax.numpy
as jnp
10149 def jax_score(jm, d, k):
10150 xyzs = jm[
'xyz'][indexes]
10151 rs = jm[
'r'][indexes]
10152 diff = xyzs[:,0] - xyzs[:,1]
10153 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
10154 return 0.5 * k * jax.lax.min(d - drs, 0.0) ** 2
10155 f = functools.partial(jax_score, d=self.get_x0(), k=self.get_k())
10156 return self._wrap_jax(m, f)
10160 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swigregister(HarmonicUpperBoundSphereDistancePairScore)
10161 class HarmonicUpperBoundSphereDiameterPairScore(
IMP.PairScore):
10162 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDiameterPairScore class."""
10164 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10166 def __init__(self, d0, k):
10167 r"""__init__(HarmonicUpperBoundSphereDiameterPairScore self, double d0, double k) -> HarmonicUpperBoundSphereDiameterPairScore"""
10168 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDiameterPairScore(d0, k))
10170 def get_rest_length(self):
10171 r"""get_rest_length(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
10172 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_rest_length(self)
10174 def get_stiffness(self):
10175 r"""get_stiffness(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
10176 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_stiffness(self)
10178 def do_get_inputs(self, m, pis):
10179 r"""do_get_inputs(HarmonicUpperBoundSphereDiameterPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10180 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_do_get_inputs(self, m, pis)
10182 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10183 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"""
10184 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10186 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10187 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"""
10188 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10190 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10191 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"""
10192 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10194 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10195 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"""
10196 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10198 def get_version_info(self):
10199 r"""get_version_info(HarmonicUpperBoundSphereDiameterPairScore self) -> VersionInfo"""
10200 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_version_info(self)
10201 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDiameterPairScore
10204 r"""__str__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
10205 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___str__(self)
10207 def __repr__(self):
10208 r"""__repr__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
10209 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___repr__(self)
10213 return _object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o)
10217 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swigregister(HarmonicUpperBoundSphereDiameterPairScore)
10219 r"""Proxy of C++ IMP::core::HarmonicSphereDistancePairScore class."""
10221 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10223 def __init__(self, *args):
10225 __init__(HarmonicSphereDistancePairScore self, double x0, double k, std::string name="HarmonicSphereDistancePairScore%1%") -> HarmonicSphereDistancePairScore
10226 __init__(HarmonicSphereDistancePairScore self) -> HarmonicSphereDistancePairScore
10228 _IMP_core.HarmonicSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSphereDistancePairScore(*args))
10230 def do_get_inputs(self, m, pis):
10231 r"""do_get_inputs(HarmonicSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10232 return _IMP_core.HarmonicSphereDistancePairScore_do_get_inputs(self, m, pis)
10234 def get_score_functor(self, *args):
10236 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore
10237 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore const &
10239 return _IMP_core.HarmonicSphereDistancePairScore_get_score_functor(self, *args)
10242 r"""get_x0(HarmonicSphereDistancePairScore self) -> double"""
10243 return _IMP_core.HarmonicSphereDistancePairScore_get_x0(self)
10246 r"""get_k(HarmonicSphereDistancePairScore self) -> double"""
10247 return _IMP_core.HarmonicSphereDistancePairScore_get_k(self)
10249 def get_version_info(self):
10250 r"""get_version_info(HarmonicSphereDistancePairScore self) -> VersionInfo"""
10251 return _IMP_core.HarmonicSphereDistancePairScore_get_version_info(self)
10252 __swig_destroy__ = _IMP_core.delete_HarmonicSphereDistancePairScore
10255 r"""__str__(HarmonicSphereDistancePairScore self) -> std::string"""
10256 return _IMP_core.HarmonicSphereDistancePairScore___str__(self)
10258 def __repr__(self):
10259 r"""__repr__(HarmonicSphereDistancePairScore self) -> std::string"""
10260 return _IMP_core.HarmonicSphereDistancePairScore___repr__(self)
10264 return _object_cast_to_HarmonicSphereDistancePairScore(o)
10267 def _get_as_binary(self):
10268 r"""_get_as_binary(HarmonicSphereDistancePairScore self) -> PyObject *"""
10269 return _IMP_core.HarmonicSphereDistancePairScore__get_as_binary(self)
10271 def _set_from_binary(self, p):
10272 r"""_set_from_binary(HarmonicSphereDistancePairScore self, PyObject * p)"""
10273 return _IMP_core.HarmonicSphereDistancePairScore__set_from_binary(self, p)
10275 def __getstate__(self):
10276 p = self._get_as_binary()
10277 if len(self.__dict__) > 1:
10278 d = self.__dict__.copy()
10283 def __setstate__(self, p):
10284 if not hasattr(self,
'this'):
10286 if isinstance(p, tuple):
10288 self.__dict__.update(d)
10289 return self._set_from_binary(p)
10292 def _get_jax(self, m, indexes):
10293 import jax.numpy
as jnp
10294 def jax_score(jm, d, k):
10295 xyzs = jm[
'xyz'][indexes]
10296 rs = jm[
'r'][indexes]
10297 diff = xyzs[:,0] - xyzs[:,1]
10298 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
10299 return 0.5 * k * (d - drs)**2
10300 f = functools.partial(jax_score, d=self.get_x0(), k=self.get_k())
10301 return self._wrap_jax(m, f)
10305 _IMP_core.HarmonicSphereDistancePairScore_swigregister(HarmonicSphereDistancePairScore)
10307 r"""Proxy of C++ IMP::core::NormalizedSphereDistancePairScore class."""
10309 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10311 def __init__(self, *args):
10312 r"""__init__(NormalizedSphereDistancePairScore self, UnaryFunction f, FloatKey radius=IMP::FloatKey("radius")) -> NormalizedSphereDistancePairScore"""
10313 _IMP_core.NormalizedSphereDistancePairScore_swiginit(self, _IMP_core.new_NormalizedSphereDistancePairScore(*args))
10315 def do_get_inputs(self, m, pis):
10316 r"""do_get_inputs(NormalizedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10317 return _IMP_core.NormalizedSphereDistancePairScore_do_get_inputs(self, m, pis)
10319 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10320 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"""
10321 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10323 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10324 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"""
10325 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10327 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10328 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"""
10329 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10331 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10332 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"""
10333 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10335 def get_version_info(self):
10336 r"""get_version_info(NormalizedSphereDistancePairScore self) -> VersionInfo"""
10337 return _IMP_core.NormalizedSphereDistancePairScore_get_version_info(self)
10338 __swig_destroy__ = _IMP_core.delete_NormalizedSphereDistancePairScore
10341 r"""__str__(NormalizedSphereDistancePairScore self) -> std::string"""
10342 return _IMP_core.NormalizedSphereDistancePairScore___str__(self)
10344 def __repr__(self):
10345 r"""__repr__(NormalizedSphereDistancePairScore self) -> std::string"""
10346 return _IMP_core.NormalizedSphereDistancePairScore___repr__(self)
10350 return _object_cast_to_NormalizedSphereDistancePairScore(o)
10354 _IMP_core.NormalizedSphereDistancePairScore_swigregister(NormalizedSphereDistancePairScore)
10356 r"""Proxy of C++ IMP::core::WeightedSphereDistancePairScore class."""
10358 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10360 def __init__(self, *args):
10361 r"""__init__(WeightedSphereDistancePairScore self, UnaryFunction f, FloatKey weight, FloatKey radius=IMP::FloatKey("radius")) -> WeightedSphereDistancePairScore"""
10362 _IMP_core.WeightedSphereDistancePairScore_swiginit(self, _IMP_core.new_WeightedSphereDistancePairScore(*args))
10364 def do_get_inputs(self, m, pis):
10365 r"""do_get_inputs(WeightedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10366 return _IMP_core.WeightedSphereDistancePairScore_do_get_inputs(self, m, pis)
10368 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10369 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"""
10370 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10372 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10373 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"""
10374 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10376 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10377 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"""
10378 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10380 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10381 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"""
10382 return _IMP_core.WeightedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10384 def get_version_info(self):
10385 r"""get_version_info(WeightedSphereDistancePairScore self) -> VersionInfo"""
10386 return _IMP_core.WeightedSphereDistancePairScore_get_version_info(self)
10387 __swig_destroy__ = _IMP_core.delete_WeightedSphereDistancePairScore
10390 r"""__str__(WeightedSphereDistancePairScore self) -> std::string"""
10391 return _IMP_core.WeightedSphereDistancePairScore___str__(self)
10393 def __repr__(self):
10394 r"""__repr__(WeightedSphereDistancePairScore self) -> std::string"""
10395 return _IMP_core.WeightedSphereDistancePairScore___repr__(self)
10399 return _object_cast_to_WeightedSphereDistancePairScore(o)
10403 _IMP_core.WeightedSphereDistancePairScore_swigregister(WeightedSphereDistancePairScore)
10405 r"""Proxy of C++ IMP::core::SoftSpherePairScore class."""
10407 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10409 def __init__(self, *args):
10411 __init__(SoftSpherePairScore self, double k, std::string name="SoftSpherePairScore%1%") -> SoftSpherePairScore
10412 __init__(SoftSpherePairScore self) -> SoftSpherePairScore
10414 _IMP_core.SoftSpherePairScore_swiginit(self, _IMP_core.new_SoftSpherePairScore(*args))
10416 def do_get_inputs(self, m, pis):
10417 r"""do_get_inputs(SoftSpherePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10418 return _IMP_core.SoftSpherePairScore_do_get_inputs(self, m, pis)
10420 def get_score_functor(self, *args):
10422 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore
10423 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore const &
10425 return _IMP_core.SoftSpherePairScore_get_score_functor(self, *args)
10428 r"""get_k(SoftSpherePairScore self) -> double"""
10429 return _IMP_core.SoftSpherePairScore_get_k(self)
10431 def get_version_info(self):
10432 r"""get_version_info(SoftSpherePairScore self) -> VersionInfo"""
10433 return _IMP_core.SoftSpherePairScore_get_version_info(self)
10434 __swig_destroy__ = _IMP_core.delete_SoftSpherePairScore
10437 r"""__str__(SoftSpherePairScore self) -> std::string"""
10438 return _IMP_core.SoftSpherePairScore___str__(self)
10440 def __repr__(self):
10441 r"""__repr__(SoftSpherePairScore self) -> std::string"""
10442 return _IMP_core.SoftSpherePairScore___repr__(self)
10446 return _object_cast_to_SoftSpherePairScore(o)
10449 def _get_as_binary(self):
10450 r"""_get_as_binary(SoftSpherePairScore self) -> PyObject *"""
10451 return _IMP_core.SoftSpherePairScore__get_as_binary(self)
10453 def _set_from_binary(self, p):
10454 r"""_set_from_binary(SoftSpherePairScore self, PyObject * p)"""
10455 return _IMP_core.SoftSpherePairScore__set_from_binary(self, p)
10457 def __getstate__(self):
10458 p = self._get_as_binary()
10459 if len(self.__dict__) > 1:
10460 d = self.__dict__.copy()
10465 def __setstate__(self, p):
10466 if not hasattr(self,
'this'):
10468 if isinstance(p, tuple):
10470 self.__dict__.update(d)
10471 return self._set_from_binary(p)
10474 def _get_jax(self, m, indexes):
10475 import jax.numpy
as jnp
10477 def jax_score(jm, k):
10478 xyzs = jm[
'xyz'][indexes]
10479 rs = jm[
'r'][indexes]
10480 diff = xyzs[:,0] - xyzs[:,1]
10481 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
10482 return 0.5 * k * jax.lax.min(drs, 0.0) ** 2
10483 f = functools.partial(jax_score, k=self.get_k())
10484 return self._wrap_jax(m, f)
10488 _IMP_core.SoftSpherePairScore_swigregister(SoftSpherePairScore)
10490 r"""Proxy of C++ IMP::core::SurfaceDistancePairScore class."""
10492 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10494 def __init__(self, *args):
10495 r"""__init__(SurfaceDistancePairScore self, UnaryFunction uf, std::string name="SurfaceDistancePairScore%1%") -> SurfaceDistancePairScore"""
10496 _IMP_core.SurfaceDistancePairScore_swiginit(self, _IMP_core.new_SurfaceDistancePairScore(*args))
10498 def do_get_inputs(self, m, pis):
10499 r"""do_get_inputs(SurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10500 return _IMP_core.SurfaceDistancePairScore_do_get_inputs(self, m, pis)
10502 def get_version_info(self):
10503 r"""get_version_info(SurfaceDistancePairScore self) -> VersionInfo"""
10504 return _IMP_core.SurfaceDistancePairScore_get_version_info(self)
10505 __swig_destroy__ = _IMP_core.delete_SurfaceDistancePairScore
10508 r"""__str__(SurfaceDistancePairScore self) -> std::string"""
10509 return _IMP_core.SurfaceDistancePairScore___str__(self)
10511 def __repr__(self):
10512 r"""__repr__(SurfaceDistancePairScore self) -> std::string"""
10513 return _IMP_core.SurfaceDistancePairScore___repr__(self)
10517 return _object_cast_to_SurfaceDistancePairScore(o)
10521 _IMP_core.SurfaceDistancePairScore_swigregister(SurfaceDistancePairScore)
10523 r"""Proxy of C++ IMP::core::SurfaceHeightPairScore class."""
10525 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10527 def __init__(self, *args):
10528 r"""__init__(SurfaceHeightPairScore self, UnaryFunction uf, std::string name="SurfaceHeightPairScore%1%") -> SurfaceHeightPairScore"""
10529 _IMP_core.SurfaceHeightPairScore_swiginit(self, _IMP_core.new_SurfaceHeightPairScore(*args))
10531 def do_get_inputs(self, m, pis):
10532 r"""do_get_inputs(SurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10533 return _IMP_core.SurfaceHeightPairScore_do_get_inputs(self, m, pis)
10535 def get_version_info(self):
10536 r"""get_version_info(SurfaceHeightPairScore self) -> VersionInfo"""
10537 return _IMP_core.SurfaceHeightPairScore_get_version_info(self)
10538 __swig_destroy__ = _IMP_core.delete_SurfaceHeightPairScore
10541 r"""__str__(SurfaceHeightPairScore self) -> std::string"""
10542 return _IMP_core.SurfaceHeightPairScore___str__(self)
10544 def __repr__(self):
10545 r"""__repr__(SurfaceHeightPairScore self) -> std::string"""
10546 return _IMP_core.SurfaceHeightPairScore___repr__(self)
10550 return _object_cast_to_SurfaceHeightPairScore(o)
10554 _IMP_core.SurfaceHeightPairScore_swigregister(SurfaceHeightPairScore)
10556 r"""Proxy of C++ IMP::core::SurfaceDepthPairScore class."""
10558 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10560 def __init__(self, *args):
10561 r"""__init__(SurfaceDepthPairScore self, UnaryFunction uf, std::string name="SurfaceDepthPairScore%1%") -> SurfaceDepthPairScore"""
10562 _IMP_core.SurfaceDepthPairScore_swiginit(self, _IMP_core.new_SurfaceDepthPairScore(*args))
10564 def do_get_inputs(self, m, pis):
10565 r"""do_get_inputs(SurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10566 return _IMP_core.SurfaceDepthPairScore_do_get_inputs(self, m, pis)
10568 def get_version_info(self):
10569 r"""get_version_info(SurfaceDepthPairScore self) -> VersionInfo"""
10570 return _IMP_core.SurfaceDepthPairScore_get_version_info(self)
10571 __swig_destroy__ = _IMP_core.delete_SurfaceDepthPairScore
10574 r"""__str__(SurfaceDepthPairScore self) -> std::string"""
10575 return _IMP_core.SurfaceDepthPairScore___str__(self)
10577 def __repr__(self):
10578 r"""__repr__(SurfaceDepthPairScore self) -> std::string"""
10579 return _IMP_core.SurfaceDepthPairScore___repr__(self)
10583 return _object_cast_to_SurfaceDepthPairScore(o)
10587 _IMP_core.SurfaceDepthPairScore_swigregister(SurfaceDepthPairScore)
10589 r"""Proxy of C++ IMP::core::HarmonicSurfaceDistancePairScore class."""
10591 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10593 def __init__(self, *args):
10594 r"""__init__(HarmonicSurfaceDistancePairScore self, double x0, double k, std::string name="HarmonicSurfaceDistancePairScore%1%") -> HarmonicSurfaceDistancePairScore"""
10595 _IMP_core.HarmonicSurfaceDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDistancePairScore(*args))
10597 def do_get_inputs(self, m, pis):
10598 r"""do_get_inputs(HarmonicSurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10599 return _IMP_core.HarmonicSurfaceDistancePairScore_do_get_inputs(self, m, pis)
10601 def get_version_info(self):
10602 r"""get_version_info(HarmonicSurfaceDistancePairScore self) -> VersionInfo"""
10603 return _IMP_core.HarmonicSurfaceDistancePairScore_get_version_info(self)
10604 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDistancePairScore
10607 r"""__str__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10608 return _IMP_core.HarmonicSurfaceDistancePairScore___str__(self)
10610 def __repr__(self):
10611 r"""__repr__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10612 return _IMP_core.HarmonicSurfaceDistancePairScore___repr__(self)
10616 return _object_cast_to_HarmonicSurfaceDistancePairScore(o)
10620 _IMP_core.HarmonicSurfaceDistancePairScore_swigregister(HarmonicSurfaceDistancePairScore)
10622 r"""Proxy of C++ IMP::core::HarmonicSurfaceHeightPairScore class."""
10624 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10626 def __init__(self, *args):
10627 r"""__init__(HarmonicSurfaceHeightPairScore self, double x0, double k, std::string name="HarmonicSurfaceHeightPairScore%1%") -> HarmonicSurfaceHeightPairScore"""
10628 _IMP_core.HarmonicSurfaceHeightPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceHeightPairScore(*args))
10630 def do_get_inputs(self, m, pis):
10631 r"""do_get_inputs(HarmonicSurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10632 return _IMP_core.HarmonicSurfaceHeightPairScore_do_get_inputs(self, m, pis)
10634 def get_version_info(self):
10635 r"""get_version_info(HarmonicSurfaceHeightPairScore self) -> VersionInfo"""
10636 return _IMP_core.HarmonicSurfaceHeightPairScore_get_version_info(self)
10637 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceHeightPairScore
10640 r"""__str__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10641 return _IMP_core.HarmonicSurfaceHeightPairScore___str__(self)
10643 def __repr__(self):
10644 r"""__repr__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10645 return _IMP_core.HarmonicSurfaceHeightPairScore___repr__(self)
10649 return _object_cast_to_HarmonicSurfaceHeightPairScore(o)
10653 _IMP_core.HarmonicSurfaceHeightPairScore_swigregister(HarmonicSurfaceHeightPairScore)
10655 r"""Proxy of C++ IMP::core::HarmonicSurfaceDepthPairScore class."""
10657 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10659 def __init__(self, *args):
10660 r"""__init__(HarmonicSurfaceDepthPairScore self, double x0, double k, std::string name="HarmonicSurfaceDepthPairScore%1%") -> HarmonicSurfaceDepthPairScore"""
10661 _IMP_core.HarmonicSurfaceDepthPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDepthPairScore(*args))
10663 def do_get_inputs(self, m, pis):
10664 r"""do_get_inputs(HarmonicSurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10665 return _IMP_core.HarmonicSurfaceDepthPairScore_do_get_inputs(self, m, pis)
10667 def get_version_info(self):
10668 r"""get_version_info(HarmonicSurfaceDepthPairScore self) -> VersionInfo"""
10669 return _IMP_core.HarmonicSurfaceDepthPairScore_get_version_info(self)
10670 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDepthPairScore
10673 r"""__str__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10674 return _IMP_core.HarmonicSurfaceDepthPairScore___str__(self)
10676 def __repr__(self):
10677 r"""__repr__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10678 return _IMP_core.HarmonicSurfaceDepthPairScore___repr__(self)
10682 return _object_cast_to_HarmonicSurfaceDepthPairScore(o)
10686 _IMP_core.HarmonicSurfaceDepthPairScore_swigregister(HarmonicSurfaceDepthPairScore)
10688 r"""Proxy of C++ IMP::core::SoftSuperSurfacePairScore class."""
10690 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10692 def __init__(self, *args):
10693 r"""__init__(SoftSuperSurfacePairScore self, double k, std::string name="SoftSuperSurfacePairScore%1%") -> SoftSuperSurfacePairScore"""
10694 _IMP_core.SoftSuperSurfacePairScore_swiginit(self, _IMP_core.new_SoftSuperSurfacePairScore(*args))
10696 def do_get_inputs(self, m, pis):
10697 r"""do_get_inputs(SoftSuperSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10698 return _IMP_core.SoftSuperSurfacePairScore_do_get_inputs(self, m, pis)
10700 def get_version_info(self):
10701 r"""get_version_info(SoftSuperSurfacePairScore self) -> VersionInfo"""
10702 return _IMP_core.SoftSuperSurfacePairScore_get_version_info(self)
10703 __swig_destroy__ = _IMP_core.delete_SoftSuperSurfacePairScore
10706 r"""__str__(SoftSuperSurfacePairScore self) -> std::string"""
10707 return _IMP_core.SoftSuperSurfacePairScore___str__(self)
10709 def __repr__(self):
10710 r"""__repr__(SoftSuperSurfacePairScore self) -> std::string"""
10711 return _IMP_core.SoftSuperSurfacePairScore___repr__(self)
10715 return _object_cast_to_SoftSuperSurfacePairScore(o)
10719 _IMP_core.SoftSuperSurfacePairScore_swigregister(SoftSuperSurfacePairScore)
10721 r"""Proxy of C++ IMP::core::SoftSubSurfacePairScore class."""
10723 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10725 def __init__(self, *args):
10726 r"""__init__(SoftSubSurfacePairScore self, double k, std::string name="SoftSubSurfacePairScore%1%") -> SoftSubSurfacePairScore"""
10727 _IMP_core.SoftSubSurfacePairScore_swiginit(self, _IMP_core.new_SoftSubSurfacePairScore(*args))
10729 def do_get_inputs(self, m, pis):
10730 r"""do_get_inputs(SoftSubSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10731 return _IMP_core.SoftSubSurfacePairScore_do_get_inputs(self, m, pis)
10733 def get_version_info(self):
10734 r"""get_version_info(SoftSubSurfacePairScore self) -> VersionInfo"""
10735 return _IMP_core.SoftSubSurfacePairScore_get_version_info(self)
10736 __swig_destroy__ = _IMP_core.delete_SoftSubSurfacePairScore
10739 r"""__str__(SoftSubSurfacePairScore self) -> std::string"""
10740 return _IMP_core.SoftSubSurfacePairScore___str__(self)
10742 def __repr__(self):
10743 r"""__repr__(SoftSubSurfacePairScore self) -> std::string"""
10744 return _IMP_core.SoftSubSurfacePairScore___repr__(self)
10748 return _object_cast_to_SoftSubSurfacePairScore(o)
10752 _IMP_core.SoftSubSurfacePairScore_swigregister(SoftSubSurfacePairScore)
10754 r"""Proxy of C++ IMP::core::SurfaceTetheredChain class."""
10756 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10758 def __init__(self, link_num, link_length):
10759 r"""__init__(SurfaceTetheredChain self, int link_num, double link_length) -> SurfaceTetheredChain"""
10760 _IMP_core.SurfaceTetheredChain_swiginit(self, _IMP_core.new_SurfaceTetheredChain(link_num, link_length))
10762 def get_version_info(self):
10763 r"""get_version_info(SurfaceTetheredChain self) -> VersionInfo"""
10764 return _IMP_core.SurfaceTetheredChain_get_version_info(self)
10765 __swig_destroy__ = _IMP_core.delete_SurfaceTetheredChain
10767 def get_link_number(self):
10768 r"""get_link_number(SurfaceTetheredChain self) -> int"""
10769 return _IMP_core.SurfaceTetheredChain_get_link_number(self)
10771 def get_link_length(self):
10772 r"""get_link_length(SurfaceTetheredChain self) -> double"""
10773 return _IMP_core.SurfaceTetheredChain_get_link_length(self)
10775 def set_link_number(self, N):
10776 r"""set_link_number(SurfaceTetheredChain self, int N)"""
10777 return _IMP_core.SurfaceTetheredChain_set_link_number(self, N)
10779 def set_link_length(self, b):
10780 r"""set_link_length(SurfaceTetheredChain self, double b)"""
10781 return _IMP_core.SurfaceTetheredChain_set_link_length(self, b)
10783 def get_distance_at_minimum(self):
10784 r"""get_distance_at_minimum(SurfaceTetheredChain self) -> double"""
10785 return _IMP_core.SurfaceTetheredChain_get_distance_at_minimum(self)
10787 def get_average_distance(self):
10788 r"""get_average_distance(SurfaceTetheredChain self) -> double"""
10789 return _IMP_core.SurfaceTetheredChain_get_average_distance(self)
10792 r"""__str__(SurfaceTetheredChain self) -> std::string"""
10793 return _IMP_core.SurfaceTetheredChain___str__(self)
10795 def __repr__(self):
10796 r"""__repr__(SurfaceTetheredChain self) -> std::string"""
10797 return _IMP_core.SurfaceTetheredChain___repr__(self)
10801 return _object_cast_to_SurfaceTetheredChain(o)
10805 _IMP_core.SurfaceTetheredChain_swigregister(SurfaceTetheredChain)
10807 r"""Proxy of C++ IMP::core::SurfaceSymmetryConstraint class."""
10809 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10811 def __init__(self, m, ss, rbs):
10812 r"""__init__(SurfaceSymmetryConstraint self, Model m, IMP::ParticleIndexPair const & ss, IMP::ParticleIndexPair const & rbs) -> SurfaceSymmetryConstraint"""
10813 _IMP_core.SurfaceSymmetryConstraint_swiginit(self, _IMP_core.new_SurfaceSymmetryConstraint(m, ss, rbs))
10815 def do_get_inputs(self):
10816 r"""do_get_inputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10817 return _IMP_core.SurfaceSymmetryConstraint_do_get_inputs(self)
10819 def do_get_outputs(self):
10820 r"""do_get_outputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10821 return _IMP_core.SurfaceSymmetryConstraint_do_get_outputs(self)
10823 def get_version_info(self):
10824 r"""get_version_info(SurfaceSymmetryConstraint self) -> VersionInfo"""
10825 return _IMP_core.SurfaceSymmetryConstraint_get_version_info(self)
10826 __swig_destroy__ = _IMP_core.delete_SurfaceSymmetryConstraint
10829 r"""__str__(SurfaceSymmetryConstraint self) -> std::string"""
10830 return _IMP_core.SurfaceSymmetryConstraint___str__(self)
10832 def __repr__(self):
10833 r"""__repr__(SurfaceSymmetryConstraint self) -> std::string"""
10834 return _IMP_core.SurfaceSymmetryConstraint___repr__(self)
10838 return _object_cast_to_SurfaceSymmetryConstraint(o)
10842 _IMP_core.SurfaceSymmetryConstraint_swigregister(SurfaceSymmetryConstraint)
10844 r"""Proxy of C++ IMP::core::SteepestDescent class."""
10846 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10848 def __init__(self, *args):
10849 r"""__init__(SteepestDescent self, Model m, std::string name="SteepestDescent%1%") -> SteepestDescent"""
10850 _IMP_core.SteepestDescent_swiginit(self, _IMP_core.new_SteepestDescent(*args))
10852 def do_optimize(self, max_steps):
10853 r"""do_optimize(SteepestDescent self, unsigned int max_steps) -> IMP::Float"""
10854 return _IMP_core.SteepestDescent_do_optimize(self, max_steps)
10856 def get_version_info(self):
10857 r"""get_version_info(SteepestDescent self) -> VersionInfo"""
10858 return _IMP_core.SteepestDescent_get_version_info(self)
10859 __swig_destroy__ = _IMP_core.delete_SteepestDescent
10861 def set_threshold(self, t):
10862 r"""set_threshold(SteepestDescent self, IMP::Float t)"""
10863 return _IMP_core.SteepestDescent_set_threshold(self, t)
10865 def set_step_size(self, t):
10866 r"""set_step_size(SteepestDescent self, IMP::Float t)"""
10867 return _IMP_core.SteepestDescent_set_step_size(self, t)
10869 def set_maximum_step_size(self, t):
10870 r"""set_maximum_step_size(SteepestDescent self, IMP::Float t)"""
10871 return _IMP_core.SteepestDescent_set_maximum_step_size(self, t)
10874 r"""__str__(SteepestDescent self) -> std::string"""
10875 return _IMP_core.SteepestDescent___str__(self)
10877 def __repr__(self):
10878 r"""__repr__(SteepestDescent self) -> std::string"""
10879 return _IMP_core.SteepestDescent___repr__(self)
10883 return _object_cast_to_SteepestDescent(o)
10887 _IMP_core.SteepestDescent_swigregister(SteepestDescent)
10889 r"""Proxy of C++ IMP::core::TransformedDistancePairScore class."""
10891 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10893 def __init__(self, f, transformation):
10894 r"""__init__(TransformedDistancePairScore self, UnaryFunction f, Transformation3D transformation) -> TransformedDistancePairScore"""
10895 _IMP_core.TransformedDistancePairScore_swiginit(self, _IMP_core.new_TransformedDistancePairScore(f, transformation))
10897 def set_transformation(self, rot):
10898 r"""set_transformation(TransformedDistancePairScore self, Transformation3D rot)"""
10899 return _IMP_core.TransformedDistancePairScore_set_transformation(self, rot)
10901 def do_get_inputs(self, m, pis):
10902 r"""do_get_inputs(TransformedDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10903 return _IMP_core.TransformedDistancePairScore_do_get_inputs(self, m, pis)
10905 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10906 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"""
10907 return _IMP_core.TransformedDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10909 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10910 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"""
10911 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10913 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10914 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"""
10915 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10917 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10918 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"""
10919 return _IMP_core.TransformedDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10921 def get_version_info(self):
10922 r"""get_version_info(TransformedDistancePairScore self) -> VersionInfo"""
10923 return _IMP_core.TransformedDistancePairScore_get_version_info(self)
10924 __swig_destroy__ = _IMP_core.delete_TransformedDistancePairScore
10927 r"""__str__(TransformedDistancePairScore self) -> std::string"""
10928 return _IMP_core.TransformedDistancePairScore___str__(self)
10930 def __repr__(self):
10931 r"""__repr__(TransformedDistancePairScore self) -> std::string"""
10932 return _IMP_core.TransformedDistancePairScore___repr__(self)
10936 return _object_cast_to_TransformedDistancePairScore(o)
10940 _IMP_core.TransformedDistancePairScore_swigregister(TransformedDistancePairScore)
10942 r"""Proxy of C++ IMP::core::TypedPairScore class."""
10944 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10946 def __init__(self, typekey, allow_invalid_types=True):
10947 r"""__init__(TypedPairScore self, IntKey typekey, bool allow_invalid_types=True) -> TypedPairScore"""
10948 _IMP_core.TypedPairScore_swiginit(self, _IMP_core.new_TypedPairScore(typekey, allow_invalid_types))
10950 def set_particle_type(self, arg2):
10951 r"""set_particle_type(TypedPairScore self, Particle arg2)"""
10952 return _IMP_core.TypedPairScore_set_particle_type(self, arg2)
10954 def set_pair_score(self, ps, atype, btype):
10955 r"""set_pair_score(TypedPairScore self, PairScore ps, IMP::Int atype, IMP::Int btype)"""
10956 return _IMP_core.TypedPairScore_set_pair_score(self, ps, atype, btype)
10958 def do_get_inputs(self, m, pis):
10959 r"""do_get_inputs(TypedPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10960 return _IMP_core.TypedPairScore_do_get_inputs(self, m, pis)
10962 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10963 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"""
10964 return _IMP_core.TypedPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10966 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10967 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"""
10968 return _IMP_core.TypedPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10970 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10971 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"""
10972 return _IMP_core.TypedPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10974 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10975 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"""
10976 return _IMP_core.TypedPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10978 def get_version_info(self):
10979 r"""get_version_info(TypedPairScore self) -> VersionInfo"""
10980 return _IMP_core.TypedPairScore_get_version_info(self)
10981 __swig_destroy__ = _IMP_core.delete_TypedPairScore
10984 r"""__str__(TypedPairScore self) -> std::string"""
10985 return _IMP_core.TypedPairScore___str__(self)
10987 def __repr__(self):
10988 r"""__repr__(TypedPairScore self) -> std::string"""
10989 return _IMP_core.TypedPairScore___repr__(self)
10993 return _object_cast_to_TypedPairScore(o)
10997 _IMP_core.TypedPairScore_swigregister(TypedPairScore)
10998 class RigidBodyDistancePairScore(KClosePairsPairScore):
10999 r"""Proxy of C++ IMP::core::RigidBodyDistancePairScore class."""
11001 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11003 def __init__(self, ps, r):
11004 r"""__init__(RigidBodyDistancePairScore self, PairScore ps, Refiner r) -> RigidBodyDistancePairScore"""
11005 _IMP_core.RigidBodyDistancePairScore_swiginit(self, _IMP_core.new_RigidBodyDistancePairScore(ps, r))
11008 r"""__str__(RigidBodyDistancePairScore self) -> std::string"""
11009 return _IMP_core.RigidBodyDistancePairScore___str__(self)
11011 def __repr__(self):
11012 r"""__repr__(RigidBodyDistancePairScore self) -> std::string"""
11013 return _IMP_core.RigidBodyDistancePairScore___repr__(self)
11017 return _object_cast_to_RigidBodyDistancePairScore(o)
11019 __swig_destroy__ = _IMP_core.delete_RigidBodyDistancePairScore
11022 _IMP_core.RigidBodyDistancePairScore_swigregister(RigidBodyDistancePairScore)
11024 r"""Proxy of C++ IMP::core::RigidBodyAnglePairScore class."""
11026 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11028 def __init__(self, f):
11029 r"""__init__(RigidBodyAnglePairScore self, UnaryFunction f) -> RigidBodyAnglePairScore"""
11030 _IMP_core.RigidBodyAnglePairScore_swiginit(self, _IMP_core.new_RigidBodyAnglePairScore(f))
11032 def do_get_inputs(self, m, pis):
11033 r"""do_get_inputs(RigidBodyAnglePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
11034 return _IMP_core.RigidBodyAnglePairScore_do_get_inputs(self, m, pis)
11036 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
11037 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"""
11038 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
11040 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
11041 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"""
11042 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
11044 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
11045 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"""
11046 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
11048 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
11049 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"""
11050 return _IMP_core.RigidBodyAnglePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
11052 def get_version_info(self):
11053 r"""get_version_info(RigidBodyAnglePairScore self) -> VersionInfo"""
11054 return _IMP_core.RigidBodyAnglePairScore_get_version_info(self)
11055 __swig_destroy__ = _IMP_core.delete_RigidBodyAnglePairScore
11058 r"""__str__(RigidBodyAnglePairScore self) -> std::string"""
11059 return _IMP_core.RigidBodyAnglePairScore___str__(self)
11061 def __repr__(self):
11062 r"""__repr__(RigidBodyAnglePairScore self) -> std::string"""
11063 return _IMP_core.RigidBodyAnglePairScore___repr__(self)
11067 return _object_cast_to_RigidBodyAnglePairScore(o)
11071 _IMP_core.RigidBodyAnglePairScore_swigregister(RigidBodyAnglePairScore)
11073 r"""Proxy of C++ IMP::core::TableRefiner class."""
11075 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11077 def __init__(self):
11078 r"""__init__(TableRefiner self) -> TableRefiner"""
11079 _IMP_core.TableRefiner_swiginit(self, _IMP_core.new_TableRefiner())
11082 r"""add_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
11083 return _IMP_core.TableRefiner_add_particle(self, p, ps)
11085 def remove_particle(self, p):
11086 r"""remove_particle(TableRefiner self, Particle p)"""
11087 return _IMP_core.TableRefiner_remove_particle(self, p)
11089 def set_particle(self, p, ps):
11090 r"""set_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
11091 return _IMP_core.TableRefiner_set_particle(self, p, ps)
11093 def do_get_inputs(self, m, pis):
11094 r"""do_get_inputs(TableRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
11095 return _IMP_core.TableRefiner_do_get_inputs(self, m, pis)
11097 def get_version_info(self):
11098 r"""get_version_info(TableRefiner self) -> VersionInfo"""
11099 return _IMP_core.TableRefiner_get_version_info(self)
11100 __swig_destroy__ = _IMP_core.delete_TableRefiner
11103 r"""__str__(TableRefiner self) -> std::string"""
11104 return _IMP_core.TableRefiner___str__(self)
11106 def __repr__(self):
11107 r"""__repr__(TableRefiner self) -> std::string"""
11108 return _IMP_core.TableRefiner___repr__(self)
11112 return _object_cast_to_TableRefiner(o)
11116 _IMP_core.TableRefiner_swigregister(TableRefiner)
11117 LOWER = _IMP_core.LOWER
11119 BOTH = _IMP_core.BOTH
11121 UPPER = _IMP_core.UPPER
11124 r"""Proxy of C++ IMP::core::MCCGSampler class."""
11126 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11128 def __init__(self, *args):
11129 r"""__init__(MCCGSampler self, Model m, std::string name="MCCG Sampler %1%") -> MCCGSampler"""
11130 _IMP_core.MCCGSampler_swiginit(self, _IMP_core.new_MCCGSampler(*args))
11132 def set_bounding_box(self, bb):
11133 r"""set_bounding_box(MCCGSampler self, BoundingBox3D bb)"""
11134 return _IMP_core.MCCGSampler_set_bounding_box(self, bb)
11136 def set_number_of_attempts(self, att):
11137 r"""set_number_of_attempts(MCCGSampler self, unsigned int att)"""
11138 return _IMP_core.MCCGSampler_set_number_of_attempts(self, att)
11140 def set_number_of_monte_carlo_steps(self, cg):
11141 r"""set_number_of_monte_carlo_steps(MCCGSampler self, unsigned int cg)"""
11142 return _IMP_core.MCCGSampler_set_number_of_monte_carlo_steps(self, cg)
11144 def set_number_of_conjugate_gradient_steps(self, cg):
11145 r"""set_number_of_conjugate_gradient_steps(MCCGSampler self, unsigned int cg)"""
11146 return _IMP_core.MCCGSampler_set_number_of_conjugate_gradient_steps(self, cg)
11148 def set_max_monte_carlo_step_size(self, *args):
11150 set_max_monte_carlo_step_size(MCCGSampler self, double d)
11151 set_max_monte_carlo_step_size(MCCGSampler self, FloatKey k, double d)
11153 return _IMP_core.MCCGSampler_set_max_monte_carlo_step_size(self, *args)
11155 def set_is_refining(self, tf):
11156 r"""set_is_refining(MCCGSampler self, bool tf)"""
11157 return _IMP_core.MCCGSampler_set_is_refining(self, tf)
11159 def set_local_optimizer(self, opt):
11160 r"""set_local_optimizer(MCCGSampler self, Optimizer opt)"""
11161 return _IMP_core.MCCGSampler_set_local_optimizer(self, opt)
11163 def set_save_rejected_configurations(self, tf):
11164 r"""set_save_rejected_configurations(MCCGSampler self, bool tf)"""
11165 return _IMP_core.MCCGSampler_set_save_rejected_configurations(self, tf)
11167 def get_rejected_configurations(self):
11168 r"""get_rejected_configurations(MCCGSampler self) -> ConfigurationSet"""
11169 return _IMP_core.MCCGSampler_get_rejected_configurations(self)
11170 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)
11171 def __set_optimizer_states(self, obj): IMP._list_util.set_varlist(self.optimizer_states, obj)
11172 def __del_optimizer_states(self): IMP._list_util.del_varlist(self.optimizer_states)
11173 optimizer_states = property(__get_optimizer_states, __set_optimizer_states, __del_optimizer_states, doc=
"List of ##ucnames")
11175 def remove_optimizer_state(self, d):
11176 r"""remove_optimizer_state(MCCGSampler self, OptimizerState d)"""
11177 return _IMP_core.MCCGSampler_remove_optimizer_state(self, d)
11179 def _python_index_optimizer_state(self, d, start, stop):
11180 r"""_python_index_optimizer_state(MCCGSampler self, OptimizerState d, unsigned int start, unsigned int stop) -> unsigned int"""
11181 return _IMP_core.MCCGSampler__python_index_optimizer_state(self, d, start, stop)
11183 def remove_optimizer_states(self, d):
11184 r"""remove_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & d)"""
11185 return _IMP_core.MCCGSampler_remove_optimizer_states(self, d)
11187 def set_optimizer_states(self, ps):
11188 r"""set_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & ps)"""
11189 return _IMP_core.MCCGSampler_set_optimizer_states(self, ps)
11191 def set_optimizer_states_order(self, objs):
11192 r"""set_optimizer_states_order(MCCGSampler self, IMP::OptimizerStates const & objs)"""
11193 return _IMP_core.MCCGSampler_set_optimizer_states_order(self, objs)
11195 def add_optimizer_state(self, obj):
11196 r"""add_optimizer_state(MCCGSampler self, OptimizerState obj) -> unsigned int"""
11197 return _IMP_core.MCCGSampler_add_optimizer_state(self, obj)
11199 def add_optimizer_states(self, objs):
11200 r"""add_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & objs)"""
11201 return _IMP_core.MCCGSampler_add_optimizer_states(self, objs)
11203 def clear_optimizer_states(self):
11204 r"""clear_optimizer_states(MCCGSampler self)"""
11205 return _IMP_core.MCCGSampler_clear_optimizer_states(self)
11207 def get_number_of_optimizer_states(self):
11208 r"""get_number_of_optimizer_states(MCCGSampler self) -> unsigned int"""
11209 return _IMP_core.MCCGSampler_get_number_of_optimizer_states(self)
11211 def get_has_optimizer_states(self):
11212 r"""get_has_optimizer_states(MCCGSampler self) -> bool"""
11213 return _IMP_core.MCCGSampler_get_has_optimizer_states(self)
11215 def get_optimizer_state(self, i):
11216 r"""get_optimizer_state(MCCGSampler self, unsigned int i) -> OptimizerState"""
11217 return _IMP_core.MCCGSampler_get_optimizer_state(self, i)
11219 def get_optimizer_states(self):
11220 r"""get_optimizer_states(MCCGSampler self) -> IMP::OptimizerStates"""
11221 return _IMP_core.MCCGSampler_get_optimizer_states(self)
11223 def erase_optimizer_state(self, i):
11224 r"""erase_optimizer_state(MCCGSampler self, unsigned int i)"""
11225 return _IMP_core.MCCGSampler_erase_optimizer_state(self, i)
11227 def reserve_optimizer_states(self, sz):
11228 r"""reserve_optimizer_states(MCCGSampler self, unsigned int sz)"""
11229 return _IMP_core.MCCGSampler_reserve_optimizer_states(self, sz)
11231 def do_sample(self):
11232 r"""do_sample(MCCGSampler self) -> ConfigurationSet"""
11233 return _IMP_core.MCCGSampler_do_sample(self)
11235 def get_version_info(self):
11236 r"""get_version_info(MCCGSampler self) -> VersionInfo"""
11237 return _IMP_core.MCCGSampler_get_version_info(self)
11238 __swig_destroy__ = _IMP_core.delete_MCCGSampler
11241 r"""__str__(MCCGSampler self) -> std::string"""
11242 return _IMP_core.MCCGSampler___str__(self)
11244 def __repr__(self):
11245 r"""__repr__(MCCGSampler self) -> std::string"""
11246 return _IMP_core.MCCGSampler___repr__(self)
11250 return _object_cast_to_MCCGSampler(o)
11254 _IMP_core.MCCGSampler_swigregister(MCCGSampler)
11256 r"""Proxy of C++ IMP::core::MinimumRestraint class."""
11258 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11260 def __init__(self, *args):
11261 r"""__init__(MinimumRestraint self, unsigned int num, IMP::Restraints const & rs=IMP::Restraints(), std::string name="MinimumRestraint %1%") -> MinimumRestraint"""
11262 _IMP_core.MinimumRestraint_swiginit(self, _IMP_core.new_MinimumRestraint(*args))
11264 def do_get_inputs(self):
11265 r"""do_get_inputs(MinimumRestraint self) -> IMP::ModelObjectsTemp"""
11266 return _IMP_core.MinimumRestraint_do_get_inputs(self)
11268 def get_version_info(self):
11269 r"""get_version_info(MinimumRestraint self) -> VersionInfo"""
11270 return _IMP_core.MinimumRestraint_get_version_info(self)
11271 __swig_destroy__ = _IMP_core.delete_MinimumRestraint
11272 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)
11273 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
11274 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
11275 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##ucnames")
11277 def remove_restraint(self, d):
11278 r"""remove_restraint(MinimumRestraint self, Restraint d)"""
11279 return _IMP_core.MinimumRestraint_remove_restraint(self, d)
11281 def _python_index_restraint(self, d, start, stop):
11282 r"""_python_index_restraint(MinimumRestraint self, Restraint d, unsigned int start, unsigned int stop) -> unsigned int"""
11283 return _IMP_core.MinimumRestraint__python_index_restraint(self, d, start, stop)
11285 def remove_restraints(self, d):
11286 r"""remove_restraints(MinimumRestraint self, IMP::Restraints const & d)"""
11287 return _IMP_core.MinimumRestraint_remove_restraints(self, d)
11289 def set_restraints(self, ps):
11290 r"""set_restraints(MinimumRestraint self, IMP::Restraints const & ps)"""
11291 return _IMP_core.MinimumRestraint_set_restraints(self, ps)
11293 def set_restraints_order(self, objs):
11294 r"""set_restraints_order(MinimumRestraint self, IMP::Restraints const & objs)"""
11295 return _IMP_core.MinimumRestraint_set_restraints_order(self, objs)
11298 r"""add_restraint(MinimumRestraint self, Restraint obj) -> unsigned int"""
11299 return _IMP_core.MinimumRestraint_add_restraint(self, obj)
11302 r"""add_restraints(MinimumRestraint self, IMP::Restraints const & objs)"""
11303 return _IMP_core.MinimumRestraint_add_restraints(self, objs)
11305 def clear_restraints(self):
11306 r"""clear_restraints(MinimumRestraint self)"""
11307 return _IMP_core.MinimumRestraint_clear_restraints(self)
11309 def get_number_of_restraints(self):
11310 r"""get_number_of_restraints(MinimumRestraint self) -> unsigned int"""
11311 return _IMP_core.MinimumRestraint_get_number_of_restraints(self)
11313 def get_has_restraints(self):
11314 r"""get_has_restraints(MinimumRestraint self) -> bool"""
11315 return _IMP_core.MinimumRestraint_get_has_restraints(self)
11317 def get_restraint(self, i):
11318 r"""get_restraint(MinimumRestraint self, unsigned int i) -> Restraint"""
11319 return _IMP_core.MinimumRestraint_get_restraint(self, i)
11321 def get_restraints(self):
11322 r"""get_restraints(MinimumRestraint self) -> IMP::Restraints"""
11323 return _IMP_core.MinimumRestraint_get_restraints(self)
11325 def erase_restraint(self, i):
11326 r"""erase_restraint(MinimumRestraint self, unsigned int i)"""
11327 return _IMP_core.MinimumRestraint_erase_restraint(self, i)
11329 def reserve_restraints(self, sz):
11330 r"""reserve_restraints(MinimumRestraint self, unsigned int sz)"""
11331 return _IMP_core.MinimumRestraint_reserve_restraints(self, sz)
11334 r"""__str__(MinimumRestraint self) -> std::string"""
11335 return _IMP_core.MinimumRestraint___str__(self)
11337 def __repr__(self):
11338 r"""__repr__(MinimumRestraint self) -> std::string"""
11339 return _IMP_core.MinimumRestraint___repr__(self)
11343 return _object_cast_to_MinimumRestraint(o)
11347 _IMP_core.MinimumRestraint_swigregister(MinimumRestraint)
11348 class Gaussian(RigidBody):
11349 r"""Proxy of C++ IMP::core::Gaussian class."""
11351 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11353 def __init__(self, *args):
11355 __init__(Gaussian self) -> Gaussian
11356 __init__(Gaussian self, Model m, ParticleIndex id) -> Gaussian
11357 __init__(Gaussian self, _ParticleAdaptor d) -> Gaussian
11359 _IMP_core.Gaussian_swiginit(self, _IMP_core.new_Gaussian(*args))
11361 def show(self, *args):
11362 r"""show(Gaussian self, _ostream out=std::cout)"""
11363 return _IMP_core.Gaussian_show(self, *args)
11366 def setup_particle(*args):
11368 setup_particle(Model m, ParticleIndex pi) -> Gaussian
11369 setup_particle(_ParticleAdaptor pa) -> Gaussian
11370 setup_particle(Model m, ParticleIndex pi, Gaussian3D g) -> Gaussian
11371 setup_particle(_ParticleAdaptor pa, Gaussian3D g) -> Gaussian
11373 return _IMP_core.Gaussian_setup_particle(*args)
11376 def get_local_covariance_key():
11377 r"""get_local_covariance_key() -> ObjectKey"""
11378 return _IMP_core.Gaussian_get_local_covariance_key()
11381 def get_global_covariance_key():
11382 r"""get_global_covariance_key() -> ObjectKey"""
11383 return _IMP_core.Gaussian_get_global_covariance_key()
11386 def get_is_setup(*args):
11388 get_is_setup(_ParticleAdaptor p) -> bool
11389 get_is_setup(Model m, ParticleIndex pi) -> bool
11391 return _IMP_core.Gaussian_get_is_setup(*args)
11393 def get_local_covariance(self):
11394 r"""get_local_covariance(Gaussian self) -> Eigen::Matrix3d"""
11395 return _IMP_core.Gaussian_get_local_covariance(self)
11397 def get_variances(self):
11398 r"""get_variances(Gaussian self) -> Vector3D"""
11399 return _IMP_core.Gaussian_get_variances(self)
11401 def get_global_covariance(self):
11402 r"""get_global_covariance(Gaussian self) -> Eigen::Matrix3d"""
11403 return _IMP_core.Gaussian_get_global_covariance(self)
11405 def get_gaussian(self):
11406 r"""get_gaussian(Gaussian self) -> Gaussian3D"""
11407 return _IMP_core.Gaussian_get_gaussian(self)
11409 def set_gaussian(self, g):
11410 r"""set_gaussian(Gaussian self, Gaussian3D g)"""
11411 return _IMP_core.Gaussian_set_gaussian(self, g)
11413 def set_local_covariance(self, covar):
11414 r"""set_local_covariance(Gaussian self, Eigen::Vector3d const covar)"""
11415 return _IMP_core.Gaussian_set_local_covariance(self, covar)
11417 def set_variances(self, v):
11418 r"""set_variances(Gaussian self, Vector3D v)"""
11419 return _IMP_core.Gaussian_set_variances(self, v)
11421 def set_global_covariance(self, covar):
11422 r"""set_global_covariance(Gaussian self, Eigen::Matrix3d covar)"""
11423 return _IMP_core.Gaussian_set_global_covariance(self, covar)
11425 def update_global_covariance(self):
11426 r"""update_global_covariance(Gaussian self)"""
11427 return _IMP_core.Gaussian_update_global_covariance(self)
11429 def add_attribute(self, *args):
11431 add_attribute(Gaussian self, FloatKey k, IMP::Float v, bool opt)
11432 add_attribute(Gaussian self, FloatKey a0, IMP::Float a1)
11433 add_attribute(Gaussian self, IntKey a0, IMP::Int a1)
11434 add_attribute(Gaussian self, FloatsKey a0, IMP::Floats a1)
11435 add_attribute(Gaussian self, IntsKey a0, IMP::Ints a1)
11436 add_attribute(Gaussian self, StringKey a0, IMP::String a1)
11437 add_attribute(Gaussian self, ParticleIndexKey a0, Particle a1)
11438 add_attribute(Gaussian self, ObjectKey a0, Object a1)
11439 add_attribute(Gaussian self, SparseFloatKey a0, IMP::Float a1)
11440 add_attribute(Gaussian self, SparseIntKey a0, IMP::Int a1)
11441 add_attribute(Gaussian self, SparseStringKey a0, IMP::String a1)
11442 add_attribute(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
11444 return _IMP_core.Gaussian_add_attribute(self, *args)
11446 def get_value(self, *args):
11448 get_value(Gaussian self, FloatKey a0) -> IMP::Float
11449 get_value(Gaussian self, IntKey a0) -> IMP::Int
11450 get_value(Gaussian self, FloatsKey a0) -> IMP::Floats
11451 get_value(Gaussian self, IntsKey a0) -> IMP::Ints
11452 get_value(Gaussian self, StringKey a0) -> IMP::String
11453 get_value(Gaussian self, ParticleIndexKey a0) -> Particle
11454 get_value(Gaussian self, ObjectKey a0) -> Object
11455 get_value(Gaussian self, SparseFloatKey a0) -> IMP::Float
11456 get_value(Gaussian self, SparseIntKey a0) -> IMP::Int
11457 get_value(Gaussian self, SparseStringKey a0) -> IMP::String
11458 get_value(Gaussian self, SparseParticleIndexKey a0) -> ParticleIndex
11460 return _IMP_core.Gaussian_get_value(self, *args)
11462 def set_value(self, *args):
11464 set_value(Gaussian self, FloatKey a0, IMP::Float a1)
11465 set_value(Gaussian self, IntKey a0, IMP::Int a1)
11466 set_value(Gaussian self, FloatsKey a0, IMP::Floats a1)
11467 set_value(Gaussian self, IntsKey a0, IMP::Ints a1)
11468 set_value(Gaussian self, StringKey a0, IMP::String a1)
11469 set_value(Gaussian self, ParticleIndexKey a0, Particle a1)
11470 set_value(Gaussian self, ObjectKey a0, Object a1)
11471 set_value(Gaussian self, SparseFloatKey a0, IMP::Float a1)
11472 set_value(Gaussian self, SparseIntKey a0, IMP::Int a1)
11473 set_value(Gaussian self, SparseStringKey a0, IMP::String a1)
11474 set_value(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
11476 return _IMP_core.Gaussian_set_value(self, *args)
11478 def remove_attribute(self, *args):
11480 remove_attribute(Gaussian self, FloatKey a0)
11481 remove_attribute(Gaussian self, IntKey a0)
11482 remove_attribute(Gaussian self, FloatsKey a0)
11483 remove_attribute(Gaussian self, IntsKey a0)
11484 remove_attribute(Gaussian self, StringKey a0)
11485 remove_attribute(Gaussian self, ParticleIndexKey a0)
11486 remove_attribute(Gaussian self, ObjectKey a0)
11487 remove_attribute(Gaussian self, SparseFloatKey a0)
11488 remove_attribute(Gaussian self, SparseIntKey a0)
11489 remove_attribute(Gaussian self, SparseStringKey a0)
11490 remove_attribute(Gaussian self, SparseParticleIndexKey a0)
11492 return _IMP_core.Gaussian_remove_attribute(self, *args)
11494 def has_attribute(self, *args):
11496 has_attribute(Gaussian self, FloatKey a0) -> bool
11497 has_attribute(Gaussian self, IntKey a0) -> bool
11498 has_attribute(Gaussian self, FloatsKey a0) -> bool
11499 has_attribute(Gaussian self, IntsKey a0) -> bool
11500 has_attribute(Gaussian self, StringKey a0) -> bool
11501 has_attribute(Gaussian self, ParticleIndexKey a0) -> bool
11502 has_attribute(Gaussian self, ObjectKey a0) -> bool
11503 has_attribute(Gaussian self, SparseFloatKey a0) -> bool
11504 has_attribute(Gaussian self, SparseIntKey a0) -> bool
11505 has_attribute(Gaussian self, SparseStringKey a0) -> bool
11506 has_attribute(Gaussian self, SparseParticleIndexKey a0) -> bool
11508 return _IMP_core.Gaussian_has_attribute(self, *args)
11510 def get_derivative(self, a0):
11511 r"""get_derivative(Gaussian self, FloatKey a0) -> double"""
11512 return _IMP_core.Gaussian_get_derivative(self, a0)
11514 def get_name(self):
11515 r"""get_name(Gaussian self) -> std::string"""
11516 return _IMP_core.Gaussian_get_name(self)
11518 def clear_caches(self):
11519 r"""clear_caches(Gaussian self)"""
11520 return _IMP_core.Gaussian_clear_caches(self)
11522 def set_name(self, a0):
11523 r"""set_name(Gaussian self, std::string a0)"""
11524 return _IMP_core.Gaussian_set_name(self, a0)
11527 r"""set_check_level(Gaussian self, IMP::CheckLevel a0)"""
11528 return _IMP_core.Gaussian_set_check_level(self, a0)
11530 def add_to_derivative(self, a0, a1, a2):
11531 r"""add_to_derivative(Gaussian self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
11532 return _IMP_core.Gaussian_add_to_derivative(self, a0, a1, a2)
11534 def set_is_optimized(self, a0, a1):
11535 r"""set_is_optimized(Gaussian self, FloatKey a0, bool a1)"""
11536 return _IMP_core.Gaussian_set_is_optimized(self, a0, a1)
11538 def get_is_optimized(self, a0):
11539 r"""get_is_optimized(Gaussian self, FloatKey a0) -> bool"""
11540 return _IMP_core.Gaussian_get_is_optimized(self, a0)
11543 r"""get_check_level(Gaussian self) -> IMP::CheckLevel"""
11544 return _IMP_core.Gaussian_get_check_level(self)
11546 def __eq__(self, *args):
11548 __eq__(Gaussian self, Gaussian o) -> bool
11549 __eq__(Gaussian self, Particle d) -> bool
11551 return _IMP_core.Gaussian___eq__(self, *args)
11553 def __ne__(self, *args):
11555 __ne__(Gaussian self, Gaussian o) -> bool
11556 __ne__(Gaussian self, Particle d) -> bool
11558 return _IMP_core.Gaussian___ne__(self, *args)
11560 def __le__(self, *args):
11562 __le__(Gaussian self, Gaussian o) -> bool
11563 __le__(Gaussian self, Particle d) -> bool
11565 return _IMP_core.Gaussian___le__(self, *args)
11567 def __lt__(self, *args):
11569 __lt__(Gaussian self, Gaussian o) -> bool
11570 __lt__(Gaussian self, Particle d) -> bool
11572 return _IMP_core.Gaussian___lt__(self, *args)
11574 def __ge__(self, *args):
11576 __ge__(Gaussian self, Gaussian o) -> bool
11577 __ge__(Gaussian self, Particle d) -> bool
11579 return _IMP_core.Gaussian___ge__(self, *args)
11581 def __gt__(self, *args):
11583 __gt__(Gaussian self, Gaussian o) -> bool
11584 __gt__(Gaussian self, Particle d) -> bool
11586 return _IMP_core.Gaussian___gt__(self, *args)
11588 def __hash__(self):
11589 r"""__hash__(Gaussian self) -> std::size_t"""
11590 return _IMP_core.Gaussian___hash__(self)
11593 r"""__str__(Gaussian self) -> std::string"""
11594 return _IMP_core.Gaussian___str__(self)
11596 def __repr__(self):
11597 r"""__repr__(Gaussian self) -> std::string"""
11598 return _IMP_core.Gaussian___repr__(self)
11600 def _get_as_binary(self):
11601 r"""_get_as_binary(Gaussian self) -> PyObject *"""
11602 return _IMP_core.Gaussian__get_as_binary(self)
11604 def _set_from_binary(self, p):
11605 r"""_set_from_binary(Gaussian self, PyObject * p)"""
11606 return _IMP_core.Gaussian__set_from_binary(self, p)
11608 def __getstate__(self):
11609 p = self._get_as_binary()
11610 if len(self.__dict__) > 1:
11611 d = self.__dict__.copy()
11616 def __setstate__(self, p):
11617 if not hasattr(self,
'this'):
11619 if isinstance(p, tuple):
11621 self.__dict__.update(d)
11622 return self._set_from_binary(p)
11624 __swig_destroy__ = _IMP_core.delete_Gaussian
11627 _IMP_core.Gaussian_swigregister(Gaussian)
11629 r"""Proxy of C++ IMP::core::PairRestraint class."""
11631 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11633 def __init__(self, *args):
11635 __init__(PairRestraint self, Model m, PairScore ss, IMP::ParticleIndexPair const & vt, std::string name="PairRestraint %1%") -> PairRestraint
11636 __init__(PairRestraint self) -> PairRestraint
11638 _IMP_core.PairRestraint_swiginit(self, _IMP_core.new_PairRestraint(*args))
11640 def get_score_object(self):
11641 r"""get_score_object(PairRestraint self) -> PairScore"""
11642 return _IMP_core.PairRestraint_get_score_object(self)
11645 r"""get_index(PairRestraint self) -> IMP::PairScore::IndexArgument"""
11646 return _IMP_core.PairRestraint_get_index(self)
11648 def get_version_info(self):
11649 r"""get_version_info(PairRestraint self) -> VersionInfo"""
11650 return _IMP_core.PairRestraint_get_version_info(self)
11651 __swig_destroy__ = _IMP_core.delete_PairRestraint
11654 r"""__str__(PairRestraint self) -> std::string"""
11655 return _IMP_core.PairRestraint___str__(self)
11657 def __repr__(self):
11658 r"""__repr__(PairRestraint self) -> std::string"""
11659 return _IMP_core.PairRestraint___repr__(self)
11663 return _object_cast_to_PairRestraint(o)
11666 def _get_as_binary(self):
11667 r"""_get_as_binary(PairRestraint self) -> PyObject *"""
11668 return _IMP_core.PairRestraint__get_as_binary(self)
11670 def _set_from_binary(self, p):
11671 r"""_set_from_binary(PairRestraint self, PyObject * p)"""
11672 return _IMP_core.PairRestraint__set_from_binary(self, p)
11674 def __getstate__(self):
11675 p = self._get_as_binary()
11676 if len(self.__dict__) > 1:
11677 d = self.__dict__.copy()
11682 def __setstate__(self, p):
11683 if not hasattr(self,
'this'):
11685 if isinstance(p, tuple):
11687 self.__dict__.update(d)
11688 return self._set_from_binary(p)
11691 def _get_jax(self):
11692 from .
import _jax_util
11693 return _jax_util._get_jax_restraint(self)
11697 _IMP_core.PairRestraint_swigregister(PairRestraint)
11699 r"""Proxy of C++ IMP::core::SingletonRestraint class."""
11701 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11703 def __init__(self, *args):
11705 __init__(SingletonRestraint self, Model m, SingletonScore ss, ParticleIndex vt, std::string name="SingletonRestraint %1%") -> SingletonRestraint
11706 __init__(SingletonRestraint self) -> SingletonRestraint
11708 _IMP_core.SingletonRestraint_swiginit(self, _IMP_core.new_SingletonRestraint(*args))
11710 def get_score_object(self):
11711 r"""get_score_object(SingletonRestraint self) -> SingletonScore"""
11712 return _IMP_core.SingletonRestraint_get_score_object(self)
11715 r"""get_index(SingletonRestraint self) -> ParticleIndex"""
11716 return _IMP_core.SingletonRestraint_get_index(self)
11718 def get_version_info(self):
11719 r"""get_version_info(SingletonRestraint self) -> VersionInfo"""
11720 return _IMP_core.SingletonRestraint_get_version_info(self)
11721 __swig_destroy__ = _IMP_core.delete_SingletonRestraint
11724 r"""__str__(SingletonRestraint self) -> std::string"""
11725 return _IMP_core.SingletonRestraint___str__(self)
11727 def __repr__(self):
11728 r"""__repr__(SingletonRestraint self) -> std::string"""
11729 return _IMP_core.SingletonRestraint___repr__(self)
11733 return _object_cast_to_SingletonRestraint(o)
11736 def _get_as_binary(self):
11737 r"""_get_as_binary(SingletonRestraint self) -> PyObject *"""
11738 return _IMP_core.SingletonRestraint__get_as_binary(self)
11740 def _set_from_binary(self, p):
11741 r"""_set_from_binary(SingletonRestraint self, PyObject * p)"""
11742 return _IMP_core.SingletonRestraint__set_from_binary(self, p)
11744 def __getstate__(self):
11745 p = self._get_as_binary()
11746 if len(self.__dict__) > 1:
11747 d = self.__dict__.copy()
11752 def __setstate__(self, p):
11753 if not hasattr(self,
'this'):
11755 if isinstance(p, tuple):
11757 self.__dict__.update(d)
11758 return self._set_from_binary(p)
11761 def _get_jax(self):
11762 from .
import _jax_util
11763 return _jax_util._get_jax_restraint(self)
11767 _IMP_core.SingletonRestraint_swigregister(SingletonRestraint)
11769 r"""Proxy of C++ IMP::core::TripletRestraint class."""
11771 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11773 def __init__(self, *args):
11775 __init__(TripletRestraint self, Model m, TripletScore ss, IMP::ParticleIndexTriplet const & vt, std::string name="TripletRestraint %1%") -> TripletRestraint
11776 __init__(TripletRestraint self) -> TripletRestraint
11778 _IMP_core.TripletRestraint_swiginit(self, _IMP_core.new_TripletRestraint(*args))
11780 def get_score_object(self):
11781 r"""get_score_object(TripletRestraint self) -> TripletScore"""
11782 return _IMP_core.TripletRestraint_get_score_object(self)
11785 r"""get_index(TripletRestraint self) -> IMP::TripletScore::IndexArgument"""
11786 return _IMP_core.TripletRestraint_get_index(self)
11788 def get_version_info(self):
11789 r"""get_version_info(TripletRestraint self) -> VersionInfo"""
11790 return _IMP_core.TripletRestraint_get_version_info(self)
11791 __swig_destroy__ = _IMP_core.delete_TripletRestraint
11794 r"""__str__(TripletRestraint self) -> std::string"""
11795 return _IMP_core.TripletRestraint___str__(self)
11797 def __repr__(self):
11798 r"""__repr__(TripletRestraint self) -> std::string"""
11799 return _IMP_core.TripletRestraint___repr__(self)
11803 return _object_cast_to_TripletRestraint(o)
11806 def _get_as_binary(self):
11807 r"""_get_as_binary(TripletRestraint self) -> PyObject *"""
11808 return _IMP_core.TripletRestraint__get_as_binary(self)
11810 def _set_from_binary(self, p):
11811 r"""_set_from_binary(TripletRestraint self, PyObject * p)"""
11812 return _IMP_core.TripletRestraint__set_from_binary(self, p)
11814 def __getstate__(self):
11815 p = self._get_as_binary()
11816 if len(self.__dict__) > 1:
11817 d = self.__dict__.copy()
11822 def __setstate__(self, p):
11823 if not hasattr(self,
'this'):
11825 if isinstance(p, tuple):
11827 self.__dict__.update(d)
11828 return self._set_from_binary(p)
11832 _IMP_core.TripletRestraint_swigregister(TripletRestraint)
11834 r"""Proxy of C++ IMP::core::QuadRestraint class."""
11836 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11838 def __init__(self, *args):
11840 __init__(QuadRestraint self, Model m, QuadScore ss, IMP::ParticleIndexQuad const & vt, std::string name="QuadRestraint %1%") -> QuadRestraint
11841 __init__(QuadRestraint self) -> QuadRestraint
11843 _IMP_core.QuadRestraint_swiginit(self, _IMP_core.new_QuadRestraint(*args))
11845 def get_score_object(self):
11846 r"""get_score_object(QuadRestraint self) -> QuadScore"""
11847 return _IMP_core.QuadRestraint_get_score_object(self)
11850 r"""get_index(QuadRestraint self) -> IMP::QuadScore::IndexArgument"""
11851 return _IMP_core.QuadRestraint_get_index(self)
11853 def get_version_info(self):
11854 r"""get_version_info(QuadRestraint self) -> VersionInfo"""
11855 return _IMP_core.QuadRestraint_get_version_info(self)
11856 __swig_destroy__ = _IMP_core.delete_QuadRestraint
11859 r"""__str__(QuadRestraint self) -> std::string"""
11860 return _IMP_core.QuadRestraint___str__(self)
11862 def __repr__(self):
11863 r"""__repr__(QuadRestraint self) -> std::string"""
11864 return _IMP_core.QuadRestraint___repr__(self)
11868 return _object_cast_to_QuadRestraint(o)
11871 def _get_as_binary(self):
11872 r"""_get_as_binary(QuadRestraint self) -> PyObject *"""
11873 return _IMP_core.QuadRestraint__get_as_binary(self)
11875 def _set_from_binary(self, p):
11876 r"""_set_from_binary(QuadRestraint self, PyObject * p)"""
11877 return _IMP_core.QuadRestraint__set_from_binary(self, p)
11879 def __getstate__(self):
11880 p = self._get_as_binary()
11881 if len(self.__dict__) > 1:
11882 d = self.__dict__.copy()
11887 def __setstate__(self, p):
11888 if not hasattr(self,
'this'):
11890 if isinstance(p, tuple):
11892 self.__dict__.update(d)
11893 return self._set_from_binary(p)
11897 _IMP_core.QuadRestraint_swigregister(QuadRestraint)
11899 r"""Proxy of C++ IMP::core::SingletonConstraint class."""
11901 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11903 def __init__(self, *args):
11905 __init__(SingletonConstraint self, SingletonModifier before, SingletonModifier after, Model m, ParticleIndex vt, std::string name="SingletonConstraint %1%", bool can_skip=False) -> SingletonConstraint
11906 __init__(SingletonConstraint self) -> SingletonConstraint
11908 _IMP_core.SingletonConstraint_swiginit(self, _IMP_core.new_SingletonConstraint(*args))
11910 def get_before_modifier(self):
11911 r"""get_before_modifier(SingletonConstraint self) -> SingletonModifier"""
11912 return _IMP_core.SingletonConstraint_get_before_modifier(self)
11915 r"""get_index(SingletonConstraint self) -> ParticleIndex"""
11916 return _IMP_core.SingletonConstraint_get_index(self)
11918 def get_version_info(self):
11919 r"""get_version_info(SingletonConstraint self) -> VersionInfo"""
11920 return _IMP_core.SingletonConstraint_get_version_info(self)
11921 __swig_destroy__ = _IMP_core.delete_SingletonConstraint
11924 r"""__str__(SingletonConstraint self) -> std::string"""
11925 return _IMP_core.SingletonConstraint___str__(self)
11927 def __repr__(self):
11928 r"""__repr__(SingletonConstraint self) -> std::string"""
11929 return _IMP_core.SingletonConstraint___repr__(self)
11933 return _object_cast_to_SingletonConstraint(o)
11936 def _get_as_binary(self):
11937 r"""_get_as_binary(SingletonConstraint self) -> PyObject *"""
11938 return _IMP_core.SingletonConstraint__get_as_binary(self)
11940 def _set_from_binary(self, p):
11941 r"""_set_from_binary(SingletonConstraint self, PyObject * p)"""
11942 return _IMP_core.SingletonConstraint__set_from_binary(self, p)
11944 def __getstate__(self):
11945 p = self._get_as_binary()
11946 if len(self.__dict__) > 1:
11947 d = self.__dict__.copy()
11952 def __setstate__(self, p):
11953 if not hasattr(self,
'this'):
11955 if isinstance(p, tuple):
11957 self.__dict__.update(d)
11958 return self._set_from_binary(p)
11961 def _get_jax(self):
11962 import jax.numpy
as jnp
11963 indexes = jnp.array([self.get_index()])
11964 mod = self.get_before_modifier().get_derived_object()
11965 ji = mod._get_jax(self.get_model(), indexes)
11966 return self._wrap_jax(ji.apply_func, keys=ji._keys)
11970 _IMP_core.SingletonConstraint_swigregister(SingletonConstraint)
11972 r"""Proxy of C++ IMP::core::PairConstraint class."""
11974 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11976 def __init__(self, *args):
11978 __init__(PairConstraint self, PairModifier before, PairModifier after, Model m, IMP::ParticleIndexPair const & vt, std::string name="PairConstraint %1%", bool can_skip=False) -> PairConstraint
11979 __init__(PairConstraint self) -> PairConstraint
11981 _IMP_core.PairConstraint_swiginit(self, _IMP_core.new_PairConstraint(*args))
11983 def get_before_modifier(self):
11984 r"""get_before_modifier(PairConstraint self) -> PairModifier"""
11985 return _IMP_core.PairConstraint_get_before_modifier(self)
11988 r"""get_index(PairConstraint self) -> IMP::PairModifier::IndexArgument"""
11989 return _IMP_core.PairConstraint_get_index(self)
11991 def get_version_info(self):
11992 r"""get_version_info(PairConstraint self) -> VersionInfo"""
11993 return _IMP_core.PairConstraint_get_version_info(self)
11994 __swig_destroy__ = _IMP_core.delete_PairConstraint
11997 r"""__str__(PairConstraint self) -> std::string"""
11998 return _IMP_core.PairConstraint___str__(self)
12000 def __repr__(self):
12001 r"""__repr__(PairConstraint self) -> std::string"""
12002 return _IMP_core.PairConstraint___repr__(self)
12006 return _object_cast_to_PairConstraint(o)
12009 def _get_as_binary(self):
12010 r"""_get_as_binary(PairConstraint self) -> PyObject *"""
12011 return _IMP_core.PairConstraint__get_as_binary(self)
12013 def _set_from_binary(self, p):
12014 r"""_set_from_binary(PairConstraint self, PyObject * p)"""
12015 return _IMP_core.PairConstraint__set_from_binary(self, p)
12017 def __getstate__(self):
12018 p = self._get_as_binary()
12019 if len(self.__dict__) > 1:
12020 d = self.__dict__.copy()
12025 def __setstate__(self, p):
12026 if not hasattr(self,
'this'):
12028 if isinstance(p, tuple):
12030 self.__dict__.update(d)
12031 return self._set_from_binary(p)
12035 _IMP_core.PairConstraint_swigregister(PairConstraint)
12037 r"""Proxy of C++ IMP::core::TripletConstraint class."""
12039 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12041 def __init__(self, *args):
12043 __init__(TripletConstraint self, TripletModifier before, TripletModifier after, Model m, IMP::ParticleIndexTriplet const & vt, std::string name="TripletConstraint %1%", bool can_skip=False) -> TripletConstraint
12044 __init__(TripletConstraint self) -> TripletConstraint
12046 _IMP_core.TripletConstraint_swiginit(self, _IMP_core.new_TripletConstraint(*args))
12048 def get_before_modifier(self):
12049 r"""get_before_modifier(TripletConstraint self) -> TripletModifier"""
12050 return _IMP_core.TripletConstraint_get_before_modifier(self)
12053 r"""get_index(TripletConstraint self) -> IMP::TripletModifier::IndexArgument"""
12054 return _IMP_core.TripletConstraint_get_index(self)
12056 def get_version_info(self):
12057 r"""get_version_info(TripletConstraint self) -> VersionInfo"""
12058 return _IMP_core.TripletConstraint_get_version_info(self)
12059 __swig_destroy__ = _IMP_core.delete_TripletConstraint
12062 r"""__str__(TripletConstraint self) -> std::string"""
12063 return _IMP_core.TripletConstraint___str__(self)
12065 def __repr__(self):
12066 r"""__repr__(TripletConstraint self) -> std::string"""
12067 return _IMP_core.TripletConstraint___repr__(self)
12071 return _object_cast_to_TripletConstraint(o)
12074 def _get_as_binary(self):
12075 r"""_get_as_binary(TripletConstraint self) -> PyObject *"""
12076 return _IMP_core.TripletConstraint__get_as_binary(self)
12078 def _set_from_binary(self, p):
12079 r"""_set_from_binary(TripletConstraint self, PyObject * p)"""
12080 return _IMP_core.TripletConstraint__set_from_binary(self, p)
12082 def __getstate__(self):
12083 p = self._get_as_binary()
12084 if len(self.__dict__) > 1:
12085 d = self.__dict__.copy()
12090 def __setstate__(self, p):
12091 if not hasattr(self,
'this'):
12093 if isinstance(p, tuple):
12095 self.__dict__.update(d)
12096 return self._set_from_binary(p)
12100 _IMP_core.TripletConstraint_swigregister(TripletConstraint)
12102 r"""Proxy of C++ IMP::core::QuadConstraint class."""
12104 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12106 def __init__(self, *args):
12108 __init__(QuadConstraint self, QuadModifier before, QuadModifier after, Model m, IMP::ParticleIndexQuad const & vt, std::string name="QuadConstraint %1%", bool can_skip=False) -> QuadConstraint
12109 __init__(QuadConstraint self) -> QuadConstraint
12111 _IMP_core.QuadConstraint_swiginit(self, _IMP_core.new_QuadConstraint(*args))
12113 def get_before_modifier(self):
12114 r"""get_before_modifier(QuadConstraint self) -> QuadModifier"""
12115 return _IMP_core.QuadConstraint_get_before_modifier(self)
12118 r"""get_index(QuadConstraint self) -> IMP::QuadModifier::IndexArgument"""
12119 return _IMP_core.QuadConstraint_get_index(self)
12121 def get_version_info(self):
12122 r"""get_version_info(QuadConstraint self) -> VersionInfo"""
12123 return _IMP_core.QuadConstraint_get_version_info(self)
12124 __swig_destroy__ = _IMP_core.delete_QuadConstraint
12127 r"""__str__(QuadConstraint self) -> std::string"""
12128 return _IMP_core.QuadConstraint___str__(self)
12130 def __repr__(self):
12131 r"""__repr__(QuadConstraint self) -> std::string"""
12132 return _IMP_core.QuadConstraint___repr__(self)
12136 return _object_cast_to_QuadConstraint(o)
12139 def _get_as_binary(self):
12140 r"""_get_as_binary(QuadConstraint self) -> PyObject *"""
12141 return _IMP_core.QuadConstraint__get_as_binary(self)
12143 def _set_from_binary(self, p):
12144 r"""_set_from_binary(QuadConstraint self, PyObject * p)"""
12145 return _IMP_core.QuadConstraint__set_from_binary(self, p)
12147 def __getstate__(self):
12148 p = self._get_as_binary()
12149 if len(self.__dict__) > 1:
12150 d = self.__dict__.copy()
12155 def __setstate__(self, p):
12156 if not hasattr(self,
'this'):
12158 if isinstance(p, tuple):
12160 self.__dict__.update(d)
12161 return self._set_from_binary(p)
12165 _IMP_core.QuadConstraint_swigregister(QuadConstraint)
12167 r"""Proxy of C++ IMP::core::ConstantSingletonPredicate class."""
12169 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12171 def __init__(self, *args):
12173 __init__(ConstantSingletonPredicate self, int v, std::string name="ConstSingletonPredicate%1%") -> ConstantSingletonPredicate
12174 __init__(ConstantSingletonPredicate self) -> ConstantSingletonPredicate
12176 _IMP_core.ConstantSingletonPredicate_swiginit(self, _IMP_core.new_ConstantSingletonPredicate(*args))
12178 def do_get_inputs(self, arg2, arg3):
12179 r"""do_get_inputs(ConstantSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12180 return _IMP_core.ConstantSingletonPredicate_do_get_inputs(self, arg2, arg3)
12182 def get_value(self, *args):
12184 get_value(ConstantSingletonPredicate self, Particle a) -> int
12185 get_value(ConstantSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12187 return _IMP_core.ConstantSingletonPredicate_get_value(self, *args)
12189 def get_value_index(self, *args):
12191 get_value_index(ConstantSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
12192 get_value_index(ConstantSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12194 return _IMP_core.ConstantSingletonPredicate_get_value_index(self, *args)
12196 def get_version_info(self):
12197 r"""get_version_info(ConstantSingletonPredicate self) -> VersionInfo"""
12198 return _IMP_core.ConstantSingletonPredicate_get_version_info(self)
12199 __swig_destroy__ = _IMP_core.delete_ConstantSingletonPredicate
12202 r"""__str__(ConstantSingletonPredicate self) -> std::string"""
12203 return _IMP_core.ConstantSingletonPredicate___str__(self)
12205 def __repr__(self):
12206 r"""__repr__(ConstantSingletonPredicate self) -> std::string"""
12207 return _IMP_core.ConstantSingletonPredicate___repr__(self)
12211 return _object_cast_to_ConstantSingletonPredicate(o)
12214 def _get_as_binary(self):
12215 r"""_get_as_binary(ConstantSingletonPredicate self) -> PyObject *"""
12216 return _IMP_core.ConstantSingletonPredicate__get_as_binary(self)
12218 def _set_from_binary(self, p):
12219 r"""_set_from_binary(ConstantSingletonPredicate self, PyObject * p)"""
12220 return _IMP_core.ConstantSingletonPredicate__set_from_binary(self, p)
12222 def __getstate__(self):
12223 p = self._get_as_binary()
12224 if len(self.__dict__) > 1:
12225 d = self.__dict__.copy()
12230 def __setstate__(self, p):
12231 if not hasattr(self,
'this'):
12233 if isinstance(p, tuple):
12235 self.__dict__.update(d)
12236 return self._set_from_binary(p)
12240 _IMP_core.ConstantSingletonPredicate_swigregister(ConstantSingletonPredicate)
12242 r"""Proxy of C++ IMP::core::UnorderedTypeSingletonPredicate class."""
12244 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12246 def __init__(self, *args):
12247 r"""__init__(UnorderedTypeSingletonPredicate self, std::string name="UnorderedTypeSingletonPredicate%1%") -> UnorderedTypeSingletonPredicate"""
12248 _IMP_core.UnorderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_UnorderedTypeSingletonPredicate(*args))
12250 def do_get_inputs(self, m, pis):
12251 r"""do_get_inputs(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12252 return _IMP_core.UnorderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
12254 def get_value(self, *args):
12256 get_value(UnorderedTypeSingletonPredicate self, Particle a) -> int
12257 get_value(UnorderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12259 return _IMP_core.UnorderedTypeSingletonPredicate_get_value(self, *args)
12261 def get_value_index(self, *args):
12263 get_value_index(UnorderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
12264 get_value_index(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12266 return _IMP_core.UnorderedTypeSingletonPredicate_get_value_index(self, *args)
12268 def get_version_info(self):
12269 r"""get_version_info(UnorderedTypeSingletonPredicate self) -> VersionInfo"""
12270 return _IMP_core.UnorderedTypeSingletonPredicate_get_version_info(self)
12271 __swig_destroy__ = _IMP_core.delete_UnorderedTypeSingletonPredicate
12274 r"""__str__(UnorderedTypeSingletonPredicate self) -> std::string"""
12275 return _IMP_core.UnorderedTypeSingletonPredicate___str__(self)
12277 def __repr__(self):
12278 r"""__repr__(UnorderedTypeSingletonPredicate self) -> std::string"""
12279 return _IMP_core.UnorderedTypeSingletonPredicate___repr__(self)
12283 return _object_cast_to_UnorderedTypeSingletonPredicate(o)
12286 def _get_as_binary(self):
12287 r"""_get_as_binary(UnorderedTypeSingletonPredicate self) -> PyObject *"""
12288 return _IMP_core.UnorderedTypeSingletonPredicate__get_as_binary(self)
12290 def _set_from_binary(self, p):
12291 r"""_set_from_binary(UnorderedTypeSingletonPredicate self, PyObject * p)"""
12292 return _IMP_core.UnorderedTypeSingletonPredicate__set_from_binary(self, p)
12294 def __getstate__(self):
12295 p = self._get_as_binary()
12296 if len(self.__dict__) > 1:
12297 d = self.__dict__.copy()
12302 def __setstate__(self, p):
12303 if not hasattr(self,
'this'):
12305 if isinstance(p, tuple):
12307 self.__dict__.update(d)
12308 return self._set_from_binary(p)
12312 _IMP_core.UnorderedTypeSingletonPredicate_swigregister(UnorderedTypeSingletonPredicate)
12314 r"""Proxy of C++ IMP::core::OrderedTypeSingletonPredicate class."""
12316 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12318 def __init__(self, *args):
12319 r"""__init__(OrderedTypeSingletonPredicate self, std::string name="OrderedTypeSingletonPredicate%1%") -> OrderedTypeSingletonPredicate"""
12320 _IMP_core.OrderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_OrderedTypeSingletonPredicate(*args))
12322 def do_get_inputs(self, m, pis):
12323 r"""do_get_inputs(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12324 return _IMP_core.OrderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
12326 def get_value(self, *args):
12328 get_value(OrderedTypeSingletonPredicate self, IMP::core::ParticleTypes const & types) -> int
12329 get_value(OrderedTypeSingletonPredicate self, Particle a) -> int
12330 get_value(OrderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12332 return _IMP_core.OrderedTypeSingletonPredicate_get_value(self, *args)
12334 def get_value_index(self, *args):
12336 get_value_index(OrderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
12337 get_value_index(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12339 return _IMP_core.OrderedTypeSingletonPredicate_get_value_index(self, *args)
12341 def get_version_info(self):
12342 r"""get_version_info(OrderedTypeSingletonPredicate self) -> VersionInfo"""
12343 return _IMP_core.OrderedTypeSingletonPredicate_get_version_info(self)
12344 __swig_destroy__ = _IMP_core.delete_OrderedTypeSingletonPredicate
12347 r"""__str__(OrderedTypeSingletonPredicate self) -> std::string"""
12348 return _IMP_core.OrderedTypeSingletonPredicate___str__(self)
12350 def __repr__(self):
12351 r"""__repr__(OrderedTypeSingletonPredicate self) -> std::string"""
12352 return _IMP_core.OrderedTypeSingletonPredicate___repr__(self)
12356 return _object_cast_to_OrderedTypeSingletonPredicate(o)
12360 _IMP_core.OrderedTypeSingletonPredicate_swigregister(OrderedTypeSingletonPredicate)
12362 r"""Proxy of C++ IMP::core::AllSameSingletonPredicate class."""
12364 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12366 def __init__(self, *args):
12367 r"""__init__(AllSameSingletonPredicate self, std::string name="AllSameSingletonPredicate%1%") -> AllSameSingletonPredicate"""
12368 _IMP_core.AllSameSingletonPredicate_swiginit(self, _IMP_core.new_AllSameSingletonPredicate(*args))
12370 def do_get_inputs(self, arg2, arg3):
12371 r"""do_get_inputs(AllSameSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12372 return _IMP_core.AllSameSingletonPredicate_do_get_inputs(self, arg2, arg3)
12374 def get_value(self, *args):
12376 get_value(AllSameSingletonPredicate self, Particle a) -> int
12377 get_value(AllSameSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12379 return _IMP_core.AllSameSingletonPredicate_get_value(self, *args)
12381 def get_value_index(self, *args):
12383 get_value_index(AllSameSingletonPredicate self, Model m, ParticleIndex pi) -> int
12384 get_value_index(AllSameSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12386 return _IMP_core.AllSameSingletonPredicate_get_value_index(self, *args)
12388 def get_version_info(self):
12389 r"""get_version_info(AllSameSingletonPredicate self) -> VersionInfo"""
12390 return _IMP_core.AllSameSingletonPredicate_get_version_info(self)
12391 __swig_destroy__ = _IMP_core.delete_AllSameSingletonPredicate
12394 r"""__str__(AllSameSingletonPredicate self) -> std::string"""
12395 return _IMP_core.AllSameSingletonPredicate___str__(self)
12397 def __repr__(self):
12398 r"""__repr__(AllSameSingletonPredicate self) -> std::string"""
12399 return _IMP_core.AllSameSingletonPredicate___repr__(self)
12403 return _object_cast_to_AllSameSingletonPredicate(o)
12406 def _get_as_binary(self):
12407 r"""_get_as_binary(AllSameSingletonPredicate self) -> PyObject *"""
12408 return _IMP_core.AllSameSingletonPredicate__get_as_binary(self)
12410 def _set_from_binary(self, p):
12411 r"""_set_from_binary(AllSameSingletonPredicate self, PyObject * p)"""
12412 return _IMP_core.AllSameSingletonPredicate__set_from_binary(self, p)
12414 def __getstate__(self):
12415 p = self._get_as_binary()
12416 if len(self.__dict__) > 1:
12417 d = self.__dict__.copy()
12422 def __setstate__(self, p):
12423 if not hasattr(self,
'this'):
12425 if isinstance(p, tuple):
12427 self.__dict__.update(d)
12428 return self._set_from_binary(p)
12432 _IMP_core.AllSameSingletonPredicate_swigregister(AllSameSingletonPredicate)
12434 r"""Proxy of C++ IMP::core::CoinFlipSingletonPredicate class."""
12436 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12438 def __init__(self, *args):
12439 r"""__init__(CoinFlipSingletonPredicate self, double p, std::string name="CoinFlipSingletonPredicate%1%") -> CoinFlipSingletonPredicate"""
12440 _IMP_core.CoinFlipSingletonPredicate_swiginit(self, _IMP_core.new_CoinFlipSingletonPredicate(*args))
12442 def do_get_inputs(self, arg2, arg3):
12443 r"""do_get_inputs(CoinFlipSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12444 return _IMP_core.CoinFlipSingletonPredicate_do_get_inputs(self, arg2, arg3)
12446 def get_value(self, *args):
12448 get_value(CoinFlipSingletonPredicate self, Particle a) -> int
12449 get_value(CoinFlipSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12451 return _IMP_core.CoinFlipSingletonPredicate_get_value(self, *args)
12453 def get_value_index(self, *args):
12455 get_value_index(CoinFlipSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
12456 get_value_index(CoinFlipSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12458 return _IMP_core.CoinFlipSingletonPredicate_get_value_index(self, *args)
12460 def get_version_info(self):
12461 r"""get_version_info(CoinFlipSingletonPredicate self) -> VersionInfo"""
12462 return _IMP_core.CoinFlipSingletonPredicate_get_version_info(self)
12463 __swig_destroy__ = _IMP_core.delete_CoinFlipSingletonPredicate
12466 r"""__str__(CoinFlipSingletonPredicate self) -> std::string"""
12467 return _IMP_core.CoinFlipSingletonPredicate___str__(self)
12469 def __repr__(self):
12470 r"""__repr__(CoinFlipSingletonPredicate self) -> std::string"""
12471 return _IMP_core.CoinFlipSingletonPredicate___repr__(self)
12475 return _object_cast_to_CoinFlipSingletonPredicate(o)
12479 _IMP_core.CoinFlipSingletonPredicate_swigregister(CoinFlipSingletonPredicate)
12481 r"""Proxy of C++ IMP::core::ConstantPairPredicate class."""
12483 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12485 def __init__(self, *args):
12487 __init__(ConstantPairPredicate self, int v, std::string name="ConstPairPredicate%1%") -> ConstantPairPredicate
12488 __init__(ConstantPairPredicate self) -> ConstantPairPredicate
12490 _IMP_core.ConstantPairPredicate_swiginit(self, _IMP_core.new_ConstantPairPredicate(*args))
12492 def do_get_inputs(self, arg2, arg3):
12493 r"""do_get_inputs(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12494 return _IMP_core.ConstantPairPredicate_do_get_inputs(self, arg2, arg3)
12496 def get_value(self, *args):
12498 get_value(ConstantPairPredicate self, IMP::ParticlePair const & a) -> int
12499 get_value(ConstantPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12501 return _IMP_core.ConstantPairPredicate_get_value(self, *args)
12503 def get_value_index(self, *args):
12505 get_value_index(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
12506 get_value_index(ConstantPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12508 return _IMP_core.ConstantPairPredicate_get_value_index(self, *args)
12510 def get_version_info(self):
12511 r"""get_version_info(ConstantPairPredicate self) -> VersionInfo"""
12512 return _IMP_core.ConstantPairPredicate_get_version_info(self)
12513 __swig_destroy__ = _IMP_core.delete_ConstantPairPredicate
12516 r"""__str__(ConstantPairPredicate self) -> std::string"""
12517 return _IMP_core.ConstantPairPredicate___str__(self)
12519 def __repr__(self):
12520 r"""__repr__(ConstantPairPredicate self) -> std::string"""
12521 return _IMP_core.ConstantPairPredicate___repr__(self)
12525 return _object_cast_to_ConstantPairPredicate(o)
12528 def _get_as_binary(self):
12529 r"""_get_as_binary(ConstantPairPredicate self) -> PyObject *"""
12530 return _IMP_core.ConstantPairPredicate__get_as_binary(self)
12532 def _set_from_binary(self, p):
12533 r"""_set_from_binary(ConstantPairPredicate self, PyObject * p)"""
12534 return _IMP_core.ConstantPairPredicate__set_from_binary(self, p)
12536 def __getstate__(self):
12537 p = self._get_as_binary()
12538 if len(self.__dict__) > 1:
12539 d = self.__dict__.copy()
12544 def __setstate__(self, p):
12545 if not hasattr(self,
'this'):
12547 if isinstance(p, tuple):
12549 self.__dict__.update(d)
12550 return self._set_from_binary(p)
12554 _IMP_core.ConstantPairPredicate_swigregister(ConstantPairPredicate)
12556 r"""Proxy of C++ IMP::core::UnorderedTypePairPredicate class."""
12558 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12560 def __init__(self, *args):
12561 r"""__init__(UnorderedTypePairPredicate self, std::string name="UnorderedTypePairPredicate%1%") -> UnorderedTypePairPredicate"""
12562 _IMP_core.UnorderedTypePairPredicate_swiginit(self, _IMP_core.new_UnorderedTypePairPredicate(*args))
12564 def do_get_inputs(self, m, pis):
12565 r"""do_get_inputs(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12566 return _IMP_core.UnorderedTypePairPredicate_do_get_inputs(self, m, pis)
12568 def get_value(self, *args):
12570 get_value(UnorderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12571 get_value(UnorderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12573 return _IMP_core.UnorderedTypePairPredicate_get_value(self, *args)
12575 def get_value_index(self, *args):
12577 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12578 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12580 return _IMP_core.UnorderedTypePairPredicate_get_value_index(self, *args)
12582 def get_version_info(self):
12583 r"""get_version_info(UnorderedTypePairPredicate self) -> VersionInfo"""
12584 return _IMP_core.UnorderedTypePairPredicate_get_version_info(self)
12585 __swig_destroy__ = _IMP_core.delete_UnorderedTypePairPredicate
12588 r"""__str__(UnorderedTypePairPredicate self) -> std::string"""
12589 return _IMP_core.UnorderedTypePairPredicate___str__(self)
12591 def __repr__(self):
12592 r"""__repr__(UnorderedTypePairPredicate self) -> std::string"""
12593 return _IMP_core.UnorderedTypePairPredicate___repr__(self)
12597 return _object_cast_to_UnorderedTypePairPredicate(o)
12600 def _get_as_binary(self):
12601 r"""_get_as_binary(UnorderedTypePairPredicate self) -> PyObject *"""
12602 return _IMP_core.UnorderedTypePairPredicate__get_as_binary(self)
12604 def _set_from_binary(self, p):
12605 r"""_set_from_binary(UnorderedTypePairPredicate self, PyObject * p)"""
12606 return _IMP_core.UnorderedTypePairPredicate__set_from_binary(self, p)
12608 def __getstate__(self):
12609 p = self._get_as_binary()
12610 if len(self.__dict__) > 1:
12611 d = self.__dict__.copy()
12616 def __setstate__(self, p):
12617 if not hasattr(self,
'this'):
12619 if isinstance(p, tuple):
12621 self.__dict__.update(d)
12622 return self._set_from_binary(p)
12626 _IMP_core.UnorderedTypePairPredicate_swigregister(UnorderedTypePairPredicate)
12628 r"""Proxy of C++ IMP::core::OrderedTypePairPredicate class."""
12630 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12632 def __init__(self, *args):
12633 r"""__init__(OrderedTypePairPredicate self, std::string name="OrderedTypePairPredicate%1%") -> OrderedTypePairPredicate"""
12634 _IMP_core.OrderedTypePairPredicate_swiginit(self, _IMP_core.new_OrderedTypePairPredicate(*args))
12636 def do_get_inputs(self, m, pis):
12637 r"""do_get_inputs(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12638 return _IMP_core.OrderedTypePairPredicate_do_get_inputs(self, m, pis)
12640 def get_value(self, *args):
12642 get_value(OrderedTypePairPredicate self, IMP::core::ParticleTypes const & types) -> int
12643 get_value(OrderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12644 get_value(OrderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12646 return _IMP_core.OrderedTypePairPredicate_get_value(self, *args)
12648 def get_value_index(self, *args):
12650 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12651 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12653 return _IMP_core.OrderedTypePairPredicate_get_value_index(self, *args)
12655 def get_version_info(self):
12656 r"""get_version_info(OrderedTypePairPredicate self) -> VersionInfo"""
12657 return _IMP_core.OrderedTypePairPredicate_get_version_info(self)
12658 __swig_destroy__ = _IMP_core.delete_OrderedTypePairPredicate
12661 r"""__str__(OrderedTypePairPredicate self) -> std::string"""
12662 return _IMP_core.OrderedTypePairPredicate___str__(self)
12664 def __repr__(self):
12665 r"""__repr__(OrderedTypePairPredicate self) -> std::string"""
12666 return _IMP_core.OrderedTypePairPredicate___repr__(self)
12670 return _object_cast_to_OrderedTypePairPredicate(o)
12674 _IMP_core.OrderedTypePairPredicate_swigregister(OrderedTypePairPredicate)
12676 r"""Proxy of C++ IMP::core::AllSamePairPredicate class."""
12678 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12680 def __init__(self, *args):
12681 r"""__init__(AllSamePairPredicate self, std::string name="AllSamePairPredicate%1%") -> AllSamePairPredicate"""
12682 _IMP_core.AllSamePairPredicate_swiginit(self, _IMP_core.new_AllSamePairPredicate(*args))
12684 def do_get_inputs(self, arg2, arg3):
12685 r"""do_get_inputs(AllSamePairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12686 return _IMP_core.AllSamePairPredicate_do_get_inputs(self, arg2, arg3)
12688 def get_value(self, *args):
12690 get_value(AllSamePairPredicate self, IMP::ParticlePair const & a) -> int
12691 get_value(AllSamePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12693 return _IMP_core.AllSamePairPredicate_get_value(self, *args)
12695 def get_value_index(self, *args):
12697 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12698 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12700 return _IMP_core.AllSamePairPredicate_get_value_index(self, *args)
12702 def get_version_info(self):
12703 r"""get_version_info(AllSamePairPredicate self) -> VersionInfo"""
12704 return _IMP_core.AllSamePairPredicate_get_version_info(self)
12705 __swig_destroy__ = _IMP_core.delete_AllSamePairPredicate
12708 r"""__str__(AllSamePairPredicate self) -> std::string"""
12709 return _IMP_core.AllSamePairPredicate___str__(self)
12711 def __repr__(self):
12712 r"""__repr__(AllSamePairPredicate self) -> std::string"""
12713 return _IMP_core.AllSamePairPredicate___repr__(self)
12717 return _object_cast_to_AllSamePairPredicate(o)
12720 def _get_as_binary(self):
12721 r"""_get_as_binary(AllSamePairPredicate self) -> PyObject *"""
12722 return _IMP_core.AllSamePairPredicate__get_as_binary(self)
12724 def _set_from_binary(self, p):
12725 r"""_set_from_binary(AllSamePairPredicate self, PyObject * p)"""
12726 return _IMP_core.AllSamePairPredicate__set_from_binary(self, p)
12728 def __getstate__(self):
12729 p = self._get_as_binary()
12730 if len(self.__dict__) > 1:
12731 d = self.__dict__.copy()
12736 def __setstate__(self, p):
12737 if not hasattr(self,
'this'):
12739 if isinstance(p, tuple):
12741 self.__dict__.update(d)
12742 return self._set_from_binary(p)
12746 _IMP_core.AllSamePairPredicate_swigregister(AllSamePairPredicate)
12748 r"""Proxy of C++ IMP::core::CoinFlipPairPredicate class."""
12750 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12752 def __init__(self, *args):
12753 r"""__init__(CoinFlipPairPredicate self, double p, std::string name="CoinFlipPairPredicate%1%") -> CoinFlipPairPredicate"""
12754 _IMP_core.CoinFlipPairPredicate_swiginit(self, _IMP_core.new_CoinFlipPairPredicate(*args))
12756 def do_get_inputs(self, arg2, arg3):
12757 r"""do_get_inputs(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12758 return _IMP_core.CoinFlipPairPredicate_do_get_inputs(self, arg2, arg3)
12760 def get_value(self, *args):
12762 get_value(CoinFlipPairPredicate self, IMP::ParticlePair const & a) -> int
12763 get_value(CoinFlipPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12765 return _IMP_core.CoinFlipPairPredicate_get_value(self, *args)
12767 def get_value_index(self, *args):
12769 get_value_index(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
12770 get_value_index(CoinFlipPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12772 return _IMP_core.CoinFlipPairPredicate_get_value_index(self, *args)
12774 def get_version_info(self):
12775 r"""get_version_info(CoinFlipPairPredicate self) -> VersionInfo"""
12776 return _IMP_core.CoinFlipPairPredicate_get_version_info(self)
12777 __swig_destroy__ = _IMP_core.delete_CoinFlipPairPredicate
12780 r"""__str__(CoinFlipPairPredicate self) -> std::string"""
12781 return _IMP_core.CoinFlipPairPredicate___str__(self)
12783 def __repr__(self):
12784 r"""__repr__(CoinFlipPairPredicate self) -> std::string"""
12785 return _IMP_core.CoinFlipPairPredicate___repr__(self)
12789 return _object_cast_to_CoinFlipPairPredicate(o)
12793 _IMP_core.CoinFlipPairPredicate_swigregister(CoinFlipPairPredicate)
12795 r"""Proxy of C++ IMP::core::ConstantTripletPredicate class."""
12797 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12799 def __init__(self, *args):
12801 __init__(ConstantTripletPredicate self, int v, std::string name="ConstTripletPredicate%1%") -> ConstantTripletPredicate
12802 __init__(ConstantTripletPredicate self) -> ConstantTripletPredicate
12804 _IMP_core.ConstantTripletPredicate_swiginit(self, _IMP_core.new_ConstantTripletPredicate(*args))
12806 def do_get_inputs(self, arg2, arg3):
12807 r"""do_get_inputs(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12808 return _IMP_core.ConstantTripletPredicate_do_get_inputs(self, arg2, arg3)
12810 def get_value(self, *args):
12812 get_value(ConstantTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12813 get_value(ConstantTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12815 return _IMP_core.ConstantTripletPredicate_get_value(self, *args)
12817 def get_value_index(self, *args):
12819 get_value_index(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
12820 get_value_index(ConstantTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12822 return _IMP_core.ConstantTripletPredicate_get_value_index(self, *args)
12824 def get_version_info(self):
12825 r"""get_version_info(ConstantTripletPredicate self) -> VersionInfo"""
12826 return _IMP_core.ConstantTripletPredicate_get_version_info(self)
12827 __swig_destroy__ = _IMP_core.delete_ConstantTripletPredicate
12830 r"""__str__(ConstantTripletPredicate self) -> std::string"""
12831 return _IMP_core.ConstantTripletPredicate___str__(self)
12833 def __repr__(self):
12834 r"""__repr__(ConstantTripletPredicate self) -> std::string"""
12835 return _IMP_core.ConstantTripletPredicate___repr__(self)
12839 return _object_cast_to_ConstantTripletPredicate(o)
12842 def _get_as_binary(self):
12843 r"""_get_as_binary(ConstantTripletPredicate self) -> PyObject *"""
12844 return _IMP_core.ConstantTripletPredicate__get_as_binary(self)
12846 def _set_from_binary(self, p):
12847 r"""_set_from_binary(ConstantTripletPredicate self, PyObject * p)"""
12848 return _IMP_core.ConstantTripletPredicate__set_from_binary(self, p)
12850 def __getstate__(self):
12851 p = self._get_as_binary()
12852 if len(self.__dict__) > 1:
12853 d = self.__dict__.copy()
12858 def __setstate__(self, p):
12859 if not hasattr(self,
'this'):
12861 if isinstance(p, tuple):
12863 self.__dict__.update(d)
12864 return self._set_from_binary(p)
12868 _IMP_core.ConstantTripletPredicate_swigregister(ConstantTripletPredicate)
12870 r"""Proxy of C++ IMP::core::UnorderedTypeTripletPredicate class."""
12872 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12874 def __init__(self, *args):
12875 r"""__init__(UnorderedTypeTripletPredicate self, std::string name="UnorderedTypeTripletPredicate%1%") -> UnorderedTypeTripletPredicate"""
12876 _IMP_core.UnorderedTypeTripletPredicate_swiginit(self, _IMP_core.new_UnorderedTypeTripletPredicate(*args))
12878 def do_get_inputs(self, m, pis):
12879 r"""do_get_inputs(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12880 return _IMP_core.UnorderedTypeTripletPredicate_do_get_inputs(self, m, pis)
12882 def get_value(self, *args):
12884 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12885 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12887 return _IMP_core.UnorderedTypeTripletPredicate_get_value(self, *args)
12889 def get_value_index(self, *args):
12891 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12892 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12894 return _IMP_core.UnorderedTypeTripletPredicate_get_value_index(self, *args)
12896 def get_version_info(self):
12897 r"""get_version_info(UnorderedTypeTripletPredicate self) -> VersionInfo"""
12898 return _IMP_core.UnorderedTypeTripletPredicate_get_version_info(self)
12899 __swig_destroy__ = _IMP_core.delete_UnorderedTypeTripletPredicate
12902 r"""__str__(UnorderedTypeTripletPredicate self) -> std::string"""
12903 return _IMP_core.UnorderedTypeTripletPredicate___str__(self)
12905 def __repr__(self):
12906 r"""__repr__(UnorderedTypeTripletPredicate self) -> std::string"""
12907 return _IMP_core.UnorderedTypeTripletPredicate___repr__(self)
12911 return _object_cast_to_UnorderedTypeTripletPredicate(o)
12914 def _get_as_binary(self):
12915 r"""_get_as_binary(UnorderedTypeTripletPredicate self) -> PyObject *"""
12916 return _IMP_core.UnorderedTypeTripletPredicate__get_as_binary(self)
12918 def _set_from_binary(self, p):
12919 r"""_set_from_binary(UnorderedTypeTripletPredicate self, PyObject * p)"""
12920 return _IMP_core.UnorderedTypeTripletPredicate__set_from_binary(self, p)
12922 def __getstate__(self):
12923 p = self._get_as_binary()
12924 if len(self.__dict__) > 1:
12925 d = self.__dict__.copy()
12930 def __setstate__(self, p):
12931 if not hasattr(self,
'this'):
12933 if isinstance(p, tuple):
12935 self.__dict__.update(d)
12936 return self._set_from_binary(p)
12940 _IMP_core.UnorderedTypeTripletPredicate_swigregister(UnorderedTypeTripletPredicate)
12942 r"""Proxy of C++ IMP::core::OrderedTypeTripletPredicate class."""
12944 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12946 def __init__(self, *args):
12947 r"""__init__(OrderedTypeTripletPredicate self, std::string name="OrderedTypeTripletPredicate%1%") -> OrderedTypeTripletPredicate"""
12948 _IMP_core.OrderedTypeTripletPredicate_swiginit(self, _IMP_core.new_OrderedTypeTripletPredicate(*args))
12950 def do_get_inputs(self, m, pis):
12951 r"""do_get_inputs(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12952 return _IMP_core.OrderedTypeTripletPredicate_do_get_inputs(self, m, pis)
12954 def get_value(self, *args):
12956 get_value(OrderedTypeTripletPredicate self, IMP::core::ParticleTypes const & types) -> int
12957 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12958 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12960 return _IMP_core.OrderedTypeTripletPredicate_get_value(self, *args)
12962 def get_value_index(self, *args):
12964 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12965 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12967 return _IMP_core.OrderedTypeTripletPredicate_get_value_index(self, *args)
12969 def get_version_info(self):
12970 r"""get_version_info(OrderedTypeTripletPredicate self) -> VersionInfo"""
12971 return _IMP_core.OrderedTypeTripletPredicate_get_version_info(self)
12972 __swig_destroy__ = _IMP_core.delete_OrderedTypeTripletPredicate
12975 r"""__str__(OrderedTypeTripletPredicate self) -> std::string"""
12976 return _IMP_core.OrderedTypeTripletPredicate___str__(self)
12978 def __repr__(self):
12979 r"""__repr__(OrderedTypeTripletPredicate self) -> std::string"""
12980 return _IMP_core.OrderedTypeTripletPredicate___repr__(self)
12984 return _object_cast_to_OrderedTypeTripletPredicate(o)
12988 _IMP_core.OrderedTypeTripletPredicate_swigregister(OrderedTypeTripletPredicate)
12990 r"""Proxy of C++ IMP::core::AllSameTripletPredicate class."""
12992 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12994 def __init__(self, *args):
12995 r"""__init__(AllSameTripletPredicate self, std::string name="AllSameTripletPredicate%1%") -> AllSameTripletPredicate"""
12996 _IMP_core.AllSameTripletPredicate_swiginit(self, _IMP_core.new_AllSameTripletPredicate(*args))
12998 def do_get_inputs(self, arg2, arg3):
12999 r"""do_get_inputs(AllSameTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13000 return _IMP_core.AllSameTripletPredicate_do_get_inputs(self, arg2, arg3)
13002 def get_value(self, *args):
13004 get_value(AllSameTripletPredicate self, IMP::ParticleTriplet const & a) -> int
13005 get_value(AllSameTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
13007 return _IMP_core.AllSameTripletPredicate_get_value(self, *args)
13009 def get_value_index(self, *args):
13011 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
13012 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
13014 return _IMP_core.AllSameTripletPredicate_get_value_index(self, *args)
13016 def get_version_info(self):
13017 r"""get_version_info(AllSameTripletPredicate self) -> VersionInfo"""
13018 return _IMP_core.AllSameTripletPredicate_get_version_info(self)
13019 __swig_destroy__ = _IMP_core.delete_AllSameTripletPredicate
13022 r"""__str__(AllSameTripletPredicate self) -> std::string"""
13023 return _IMP_core.AllSameTripletPredicate___str__(self)
13025 def __repr__(self):
13026 r"""__repr__(AllSameTripletPredicate self) -> std::string"""
13027 return _IMP_core.AllSameTripletPredicate___repr__(self)
13031 return _object_cast_to_AllSameTripletPredicate(o)
13034 def _get_as_binary(self):
13035 r"""_get_as_binary(AllSameTripletPredicate self) -> PyObject *"""
13036 return _IMP_core.AllSameTripletPredicate__get_as_binary(self)
13038 def _set_from_binary(self, p):
13039 r"""_set_from_binary(AllSameTripletPredicate self, PyObject * p)"""
13040 return _IMP_core.AllSameTripletPredicate__set_from_binary(self, p)
13042 def __getstate__(self):
13043 p = self._get_as_binary()
13044 if len(self.__dict__) > 1:
13045 d = self.__dict__.copy()
13050 def __setstate__(self, p):
13051 if not hasattr(self,
'this'):
13053 if isinstance(p, tuple):
13055 self.__dict__.update(d)
13056 return self._set_from_binary(p)
13060 _IMP_core.AllSameTripletPredicate_swigregister(AllSameTripletPredicate)
13062 r"""Proxy of C++ IMP::core::CoinFlipTripletPredicate class."""
13064 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13066 def __init__(self, *args):
13067 r"""__init__(CoinFlipTripletPredicate self, double p, std::string name="CoinFlipTripletPredicate%1%") -> CoinFlipTripletPredicate"""
13068 _IMP_core.CoinFlipTripletPredicate_swiginit(self, _IMP_core.new_CoinFlipTripletPredicate(*args))
13070 def do_get_inputs(self, arg2, arg3):
13071 r"""do_get_inputs(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13072 return _IMP_core.CoinFlipTripletPredicate_do_get_inputs(self, arg2, arg3)
13074 def get_value(self, *args):
13076 get_value(CoinFlipTripletPredicate self, IMP::ParticleTriplet const & a) -> int
13077 get_value(CoinFlipTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
13079 return _IMP_core.CoinFlipTripletPredicate_get_value(self, *args)
13081 def get_value_index(self, *args):
13083 get_value_index(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
13084 get_value_index(CoinFlipTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
13086 return _IMP_core.CoinFlipTripletPredicate_get_value_index(self, *args)
13088 def get_version_info(self):
13089 r"""get_version_info(CoinFlipTripletPredicate self) -> VersionInfo"""
13090 return _IMP_core.CoinFlipTripletPredicate_get_version_info(self)
13091 __swig_destroy__ = _IMP_core.delete_CoinFlipTripletPredicate
13094 r"""__str__(CoinFlipTripletPredicate self) -> std::string"""
13095 return _IMP_core.CoinFlipTripletPredicate___str__(self)
13097 def __repr__(self):
13098 r"""__repr__(CoinFlipTripletPredicate self) -> std::string"""
13099 return _IMP_core.CoinFlipTripletPredicate___repr__(self)
13103 return _object_cast_to_CoinFlipTripletPredicate(o)
13107 _IMP_core.CoinFlipTripletPredicate_swigregister(CoinFlipTripletPredicate)
13109 r"""Proxy of C++ IMP::core::ConstantQuadPredicate class."""
13111 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13113 def __init__(self, *args):
13115 __init__(ConstantQuadPredicate self, int v, std::string name="ConstQuadPredicate%1%") -> ConstantQuadPredicate
13116 __init__(ConstantQuadPredicate self) -> ConstantQuadPredicate
13118 _IMP_core.ConstantQuadPredicate_swiginit(self, _IMP_core.new_ConstantQuadPredicate(*args))
13120 def do_get_inputs(self, arg2, arg3):
13121 r"""do_get_inputs(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13122 return _IMP_core.ConstantQuadPredicate_do_get_inputs(self, arg2, arg3)
13124 def get_value(self, *args):
13126 get_value(ConstantQuadPredicate self, IMP::ParticleQuad const & a) -> int
13127 get_value(ConstantQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13129 return _IMP_core.ConstantQuadPredicate_get_value(self, *args)
13131 def get_value_index(self, *args):
13133 get_value_index(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
13134 get_value_index(ConstantQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13136 return _IMP_core.ConstantQuadPredicate_get_value_index(self, *args)
13138 def get_version_info(self):
13139 r"""get_version_info(ConstantQuadPredicate self) -> VersionInfo"""
13140 return _IMP_core.ConstantQuadPredicate_get_version_info(self)
13141 __swig_destroy__ = _IMP_core.delete_ConstantQuadPredicate
13144 r"""__str__(ConstantQuadPredicate self) -> std::string"""
13145 return _IMP_core.ConstantQuadPredicate___str__(self)
13147 def __repr__(self):
13148 r"""__repr__(ConstantQuadPredicate self) -> std::string"""
13149 return _IMP_core.ConstantQuadPredicate___repr__(self)
13153 return _object_cast_to_ConstantQuadPredicate(o)
13156 def _get_as_binary(self):
13157 r"""_get_as_binary(ConstantQuadPredicate self) -> PyObject *"""
13158 return _IMP_core.ConstantQuadPredicate__get_as_binary(self)
13160 def _set_from_binary(self, p):
13161 r"""_set_from_binary(ConstantQuadPredicate self, PyObject * p)"""
13162 return _IMP_core.ConstantQuadPredicate__set_from_binary(self, p)
13164 def __getstate__(self):
13165 p = self._get_as_binary()
13166 if len(self.__dict__) > 1:
13167 d = self.__dict__.copy()
13172 def __setstate__(self, p):
13173 if not hasattr(self,
'this'):
13175 if isinstance(p, tuple):
13177 self.__dict__.update(d)
13178 return self._set_from_binary(p)
13182 _IMP_core.ConstantQuadPredicate_swigregister(ConstantQuadPredicate)
13184 r"""Proxy of C++ IMP::core::UnorderedTypeQuadPredicate class."""
13186 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13188 def __init__(self, *args):
13189 r"""__init__(UnorderedTypeQuadPredicate self, std::string name="UnorderedTypeQuadPredicate%1%") -> UnorderedTypeQuadPredicate"""
13190 _IMP_core.UnorderedTypeQuadPredicate_swiginit(self, _IMP_core.new_UnorderedTypeQuadPredicate(*args))
13192 def do_get_inputs(self, m, pis):
13193 r"""do_get_inputs(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13194 return _IMP_core.UnorderedTypeQuadPredicate_do_get_inputs(self, m, pis)
13196 def get_value(self, *args):
13198 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
13199 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13201 return _IMP_core.UnorderedTypeQuadPredicate_get_value(self, *args)
13203 def get_value_index(self, *args):
13205 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13206 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13208 return _IMP_core.UnorderedTypeQuadPredicate_get_value_index(self, *args)
13210 def get_version_info(self):
13211 r"""get_version_info(UnorderedTypeQuadPredicate self) -> VersionInfo"""
13212 return _IMP_core.UnorderedTypeQuadPredicate_get_version_info(self)
13213 __swig_destroy__ = _IMP_core.delete_UnorderedTypeQuadPredicate
13216 r"""__str__(UnorderedTypeQuadPredicate self) -> std::string"""
13217 return _IMP_core.UnorderedTypeQuadPredicate___str__(self)
13219 def __repr__(self):
13220 r"""__repr__(UnorderedTypeQuadPredicate self) -> std::string"""
13221 return _IMP_core.UnorderedTypeQuadPredicate___repr__(self)
13225 return _object_cast_to_UnorderedTypeQuadPredicate(o)
13228 def _get_as_binary(self):
13229 r"""_get_as_binary(UnorderedTypeQuadPredicate self) -> PyObject *"""
13230 return _IMP_core.UnorderedTypeQuadPredicate__get_as_binary(self)
13232 def _set_from_binary(self, p):
13233 r"""_set_from_binary(UnorderedTypeQuadPredicate self, PyObject * p)"""
13234 return _IMP_core.UnorderedTypeQuadPredicate__set_from_binary(self, p)
13236 def __getstate__(self):
13237 p = self._get_as_binary()
13238 if len(self.__dict__) > 1:
13239 d = self.__dict__.copy()
13244 def __setstate__(self, p):
13245 if not hasattr(self,
'this'):
13247 if isinstance(p, tuple):
13249 self.__dict__.update(d)
13250 return self._set_from_binary(p)
13254 _IMP_core.UnorderedTypeQuadPredicate_swigregister(UnorderedTypeQuadPredicate)
13256 r"""Proxy of C++ IMP::core::OrderedTypeQuadPredicate class."""
13258 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13260 def __init__(self, *args):
13261 r"""__init__(OrderedTypeQuadPredicate self, std::string name="OrderedTypeQuadPredicate%1%") -> OrderedTypeQuadPredicate"""
13262 _IMP_core.OrderedTypeQuadPredicate_swiginit(self, _IMP_core.new_OrderedTypeQuadPredicate(*args))
13264 def do_get_inputs(self, m, pis):
13265 r"""do_get_inputs(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13266 return _IMP_core.OrderedTypeQuadPredicate_do_get_inputs(self, m, pis)
13268 def get_value(self, *args):
13270 get_value(OrderedTypeQuadPredicate self, IMP::core::ParticleTypes const & types) -> int
13271 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
13272 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13274 return _IMP_core.OrderedTypeQuadPredicate_get_value(self, *args)
13276 def get_value_index(self, *args):
13278 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13279 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13281 return _IMP_core.OrderedTypeQuadPredicate_get_value_index(self, *args)
13283 def get_version_info(self):
13284 r"""get_version_info(OrderedTypeQuadPredicate self) -> VersionInfo"""
13285 return _IMP_core.OrderedTypeQuadPredicate_get_version_info(self)
13286 __swig_destroy__ = _IMP_core.delete_OrderedTypeQuadPredicate
13289 r"""__str__(OrderedTypeQuadPredicate self) -> std::string"""
13290 return _IMP_core.OrderedTypeQuadPredicate___str__(self)
13292 def __repr__(self):
13293 r"""__repr__(OrderedTypeQuadPredicate self) -> std::string"""
13294 return _IMP_core.OrderedTypeQuadPredicate___repr__(self)
13298 return _object_cast_to_OrderedTypeQuadPredicate(o)
13302 _IMP_core.OrderedTypeQuadPredicate_swigregister(OrderedTypeQuadPredicate)
13304 r"""Proxy of C++ IMP::core::AllSameQuadPredicate class."""
13306 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13308 def __init__(self, *args):
13309 r"""__init__(AllSameQuadPredicate self, std::string name="AllSameQuadPredicate%1%") -> AllSameQuadPredicate"""
13310 _IMP_core.AllSameQuadPredicate_swiginit(self, _IMP_core.new_AllSameQuadPredicate(*args))
13312 def do_get_inputs(self, arg2, arg3):
13313 r"""do_get_inputs(AllSameQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13314 return _IMP_core.AllSameQuadPredicate_do_get_inputs(self, arg2, arg3)
13316 def get_value(self, *args):
13318 get_value(AllSameQuadPredicate self, IMP::ParticleQuad const & a) -> int
13319 get_value(AllSameQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13321 return _IMP_core.AllSameQuadPredicate_get_value(self, *args)
13323 def get_value_index(self, *args):
13325 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13326 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13328 return _IMP_core.AllSameQuadPredicate_get_value_index(self, *args)
13330 def get_version_info(self):
13331 r"""get_version_info(AllSameQuadPredicate self) -> VersionInfo"""
13332 return _IMP_core.AllSameQuadPredicate_get_version_info(self)
13333 __swig_destroy__ = _IMP_core.delete_AllSameQuadPredicate
13336 r"""__str__(AllSameQuadPredicate self) -> std::string"""
13337 return _IMP_core.AllSameQuadPredicate___str__(self)
13339 def __repr__(self):
13340 r"""__repr__(AllSameQuadPredicate self) -> std::string"""
13341 return _IMP_core.AllSameQuadPredicate___repr__(self)
13345 return _object_cast_to_AllSameQuadPredicate(o)
13348 def _get_as_binary(self):
13349 r"""_get_as_binary(AllSameQuadPredicate self) -> PyObject *"""
13350 return _IMP_core.AllSameQuadPredicate__get_as_binary(self)
13352 def _set_from_binary(self, p):
13353 r"""_set_from_binary(AllSameQuadPredicate self, PyObject * p)"""
13354 return _IMP_core.AllSameQuadPredicate__set_from_binary(self, p)
13356 def __getstate__(self):
13357 p = self._get_as_binary()
13358 if len(self.__dict__) > 1:
13359 d = self.__dict__.copy()
13364 def __setstate__(self, p):
13365 if not hasattr(self,
'this'):
13367 if isinstance(p, tuple):
13369 self.__dict__.update(d)
13370 return self._set_from_binary(p)
13374 _IMP_core.AllSameQuadPredicate_swigregister(AllSameQuadPredicate)
13376 r"""Proxy of C++ IMP::core::CoinFlipQuadPredicate class."""
13378 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13380 def __init__(self, *args):
13381 r"""__init__(CoinFlipQuadPredicate self, double p, std::string name="CoinFlipQuadPredicate%1%") -> CoinFlipQuadPredicate"""
13382 _IMP_core.CoinFlipQuadPredicate_swiginit(self, _IMP_core.new_CoinFlipQuadPredicate(*args))
13384 def do_get_inputs(self, arg2, arg3):
13385 r"""do_get_inputs(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13386 return _IMP_core.CoinFlipQuadPredicate_do_get_inputs(self, arg2, arg3)
13388 def get_value(self, *args):
13390 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuad const & a) -> int
13391 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13393 return _IMP_core.CoinFlipQuadPredicate_get_value(self, *args)
13395 def get_value_index(self, *args):
13397 get_value_index(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
13398 get_value_index(CoinFlipQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13400 return _IMP_core.CoinFlipQuadPredicate_get_value_index(self, *args)
13402 def get_version_info(self):
13403 r"""get_version_info(CoinFlipQuadPredicate self) -> VersionInfo"""
13404 return _IMP_core.CoinFlipQuadPredicate_get_version_info(self)
13405 __swig_destroy__ = _IMP_core.delete_CoinFlipQuadPredicate
13408 r"""__str__(CoinFlipQuadPredicate self) -> std::string"""
13409 return _IMP_core.CoinFlipQuadPredicate___str__(self)
13411 def __repr__(self):
13412 r"""__repr__(CoinFlipQuadPredicate self) -> std::string"""
13413 return _IMP_core.CoinFlipQuadPredicate___repr__(self)
13417 return _object_cast_to_CoinFlipQuadPredicate(o)
13421 _IMP_core.CoinFlipQuadPredicate_swigregister(CoinFlipQuadPredicate)
13423 r"""Proxy of C++ IMP::core::InBoundingBox3DSingletonPredicate class."""
13425 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13427 def __init__(self, *args):
13428 r"""__init__(InBoundingBox3DSingletonPredicate self, BoundingBox3D bb, std::string name="InBoundingBox3DSingletonPredicate%1%") -> InBoundingBox3DSingletonPredicate"""
13429 _IMP_core.InBoundingBox3DSingletonPredicate_swiginit(self, _IMP_core.new_InBoundingBox3DSingletonPredicate(*args))
13431 def do_get_inputs(self, m, pi):
13432 r"""do_get_inputs(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13433 return _IMP_core.InBoundingBox3DSingletonPredicate_do_get_inputs(self, m, pi)
13435 def get_value(self, *args):
13437 get_value(InBoundingBox3DSingletonPredicate self, Particle a) -> int
13438 get_value(InBoundingBox3DSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
13440 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value(self, *args)
13442 def get_value_index(self, *args):
13444 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, ParticleIndex pi) -> int
13445 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
13447 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value_index(self, *args)
13449 def get_version_info(self):
13450 r"""get_version_info(InBoundingBox3DSingletonPredicate self) -> VersionInfo"""
13451 return _IMP_core.InBoundingBox3DSingletonPredicate_get_version_info(self)
13452 __swig_destroy__ = _IMP_core.delete_InBoundingBox3DSingletonPredicate
13455 r"""__str__(InBoundingBox3DSingletonPredicate self) -> std::string"""
13456 return _IMP_core.InBoundingBox3DSingletonPredicate___str__(self)
13458 def __repr__(self):
13459 r"""__repr__(InBoundingBox3DSingletonPredicate self) -> std::string"""
13460 return _IMP_core.InBoundingBox3DSingletonPredicate___repr__(self)
13464 return _object_cast_to_InBoundingBox3DSingletonPredicate(o)
13468 _IMP_core.InBoundingBox3DSingletonPredicate_swigregister(InBoundingBox3DSingletonPredicate)
13470 r"""Proxy of C++ IMP::core::AttributeSingletonPredicate class."""
13472 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13474 def __init__(self, *args):
13475 r"""__init__(AttributeSingletonPredicate self, IntKey bb, std::string name="AttributeSingletonPredicate%1%") -> AttributeSingletonPredicate"""
13476 _IMP_core.AttributeSingletonPredicate_swiginit(self, _IMP_core.new_AttributeSingletonPredicate(*args))
13478 def do_get_inputs(self, m, pi):
13479 r"""do_get_inputs(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13480 return _IMP_core.AttributeSingletonPredicate_do_get_inputs(self, m, pi)
13482 def get_value(self, *args):
13484 get_value(AttributeSingletonPredicate self, Particle a) -> int
13485 get_value(AttributeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
13487 return _IMP_core.AttributeSingletonPredicate_get_value(self, *args)
13489 def get_value_index(self, *args):
13491 get_value_index(AttributeSingletonPredicate self, Model m, ParticleIndex pi) -> int
13492 get_value_index(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
13494 return _IMP_core.AttributeSingletonPredicate_get_value_index(self, *args)
13496 def get_version_info(self):
13497 r"""get_version_info(AttributeSingletonPredicate self) -> VersionInfo"""
13498 return _IMP_core.AttributeSingletonPredicate_get_version_info(self)
13499 __swig_destroy__ = _IMP_core.delete_AttributeSingletonPredicate
13502 r"""__str__(AttributeSingletonPredicate self) -> std::string"""
13503 return _IMP_core.AttributeSingletonPredicate___str__(self)
13505 def __repr__(self):
13506 r"""__repr__(AttributeSingletonPredicate self) -> std::string"""
13507 return _IMP_core.AttributeSingletonPredicate___repr__(self)
13511 return _object_cast_to_AttributeSingletonPredicate(o)
13515 _IMP_core.AttributeSingletonPredicate_swigregister(AttributeSingletonPredicate)
13517 r"""Proxy of C++ IMP::core::IsCollisionPairPredicate class."""
13519 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13521 def __init__(self, *args):
13522 r"""__init__(IsCollisionPairPredicate self, std::string name="CollisionPairPredicate%1%") -> IsCollisionPairPredicate"""
13523 _IMP_core.IsCollisionPairPredicate_swiginit(self, _IMP_core.new_IsCollisionPairPredicate(*args))
13525 def do_get_inputs(self, m, pi):
13526 r"""do_get_inputs(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13527 return _IMP_core.IsCollisionPairPredicate_do_get_inputs(self, m, pi)
13529 def get_value(self, *args):
13531 get_value(IsCollisionPairPredicate self, IMP::ParticlePair const & a) -> int
13532 get_value(IsCollisionPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
13534 return _IMP_core.IsCollisionPairPredicate_get_value(self, *args)
13536 def get_value_index(self, *args):
13538 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
13539 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
13541 return _IMP_core.IsCollisionPairPredicate_get_value_index(self, *args)
13543 def get_version_info(self):
13544 r"""get_version_info(IsCollisionPairPredicate self) -> VersionInfo"""
13545 return _IMP_core.IsCollisionPairPredicate_get_version_info(self)
13546 __swig_destroy__ = _IMP_core.delete_IsCollisionPairPredicate
13549 r"""__str__(IsCollisionPairPredicate self) -> std::string"""
13550 return _IMP_core.IsCollisionPairPredicate___str__(self)
13552 def __repr__(self):
13553 r"""__repr__(IsCollisionPairPredicate self) -> std::string"""
13554 return _IMP_core.IsCollisionPairPredicate___repr__(self)
13558 return _object_cast_to_IsCollisionPairPredicate(o)
13562 _IMP_core.IsCollisionPairPredicate_swigregister(IsCollisionPairPredicate)
13563 class AngleRestraint(TripletRestraint):
13564 r"""Proxy of C++ IMP::core::AngleRestraint class."""
13566 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13568 def __init__(self, *args):
13570 __init__(AngleRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3) -> AngleRestraint
13571 __init__(AngleRestraint self) -> AngleRestraint
13573 _IMP_core.AngleRestraint_swiginit(self, _IMP_core.new_AngleRestraint(*args))
13574 __swig_destroy__ = _IMP_core.delete_AngleRestraint
13577 r"""__str__(AngleRestraint self) -> std::string"""
13578 return _IMP_core.AngleRestraint___str__(self)
13580 def __repr__(self):
13581 r"""__repr__(AngleRestraint self) -> std::string"""
13582 return _IMP_core.AngleRestraint___repr__(self)
13586 return _object_cast_to_AngleRestraint(o)
13589 def _get_as_binary(self):
13590 r"""_get_as_binary(AngleRestraint self) -> PyObject *"""
13591 return _IMP_core.AngleRestraint__get_as_binary(self)
13593 def _set_from_binary(self, p):
13594 r"""_set_from_binary(AngleRestraint self, PyObject * p)"""
13595 return _IMP_core.AngleRestraint__set_from_binary(self, p)
13597 def __getstate__(self):
13598 p = self._get_as_binary()
13599 if len(self.__dict__) > 1:
13600 d = self.__dict__.copy()
13605 def __setstate__(self, p):
13606 if not hasattr(self,
'this'):
13608 if isinstance(p, tuple):
13610 self.__dict__.update(d)
13611 return self._set_from_binary(p)
13615 _IMP_core.AngleRestraint_swigregister(AngleRestraint)
13616 class RigidBodyMover(MonteCarloMover):
13617 r"""Proxy of C++ IMP::core::RigidBodyMover class."""
13619 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13621 def __init__(self, *args):
13623 __init__(RigidBodyMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation) -> RigidBodyMover
13624 __init__(RigidBodyMover self) -> RigidBodyMover
13626 _IMP_core.RigidBodyMover_swiginit(self, _IMP_core.new_RigidBodyMover(*args))
13628 def set_maximum_translation(self, mt):
13629 r"""set_maximum_translation(RigidBodyMover self, IMP::Float mt)"""
13630 return _IMP_core.RigidBodyMover_set_maximum_translation(self, mt)
13632 def set_maximum_rotation(self, mr):
13633 r"""set_maximum_rotation(RigidBodyMover self, IMP::Float mr)"""
13634 return _IMP_core.RigidBodyMover_set_maximum_rotation(self, mr)
13636 def get_maximum_translation(self):
13637 r"""get_maximum_translation(RigidBodyMover self) -> IMP::Float"""
13638 return _IMP_core.RigidBodyMover_get_maximum_translation(self)
13640 def get_maximum_rotation(self):
13641 r"""get_maximum_rotation(RigidBodyMover self) -> IMP::Float"""
13642 return _IMP_core.RigidBodyMover_get_maximum_rotation(self)
13645 r"""get_index(RigidBodyMover self) -> ParticleIndex"""
13646 return _IMP_core.RigidBodyMover_get_index(self)
13648 def get_version_info(self):
13649 r"""get_version_info(RigidBodyMover self) -> VersionInfo"""
13650 return _IMP_core.RigidBodyMover_get_version_info(self)
13651 __swig_destroy__ = _IMP_core.delete_RigidBodyMover
13654 r"""__str__(RigidBodyMover self) -> std::string"""
13655 return _IMP_core.RigidBodyMover___str__(self)
13657 def __repr__(self):
13658 r"""__repr__(RigidBodyMover self) -> std::string"""
13659 return _IMP_core.RigidBodyMover___repr__(self)
13663 return _object_cast_to_RigidBodyMover(o)
13666 def _get_as_binary(self):
13667 r"""_get_as_binary(RigidBodyMover self) -> PyObject *"""
13668 return _IMP_core.RigidBodyMover__get_as_binary(self)
13670 def _set_from_binary(self, p):
13671 r"""_set_from_binary(RigidBodyMover self, PyObject * p)"""
13672 return _IMP_core.RigidBodyMover__set_from_binary(self, p)
13674 def __getstate__(self):
13675 p = self._get_as_binary()
13676 if len(self.__dict__) > 1:
13677 d = self.__dict__.copy()
13682 def __setstate__(self, p):
13683 if not hasattr(self,
'this'):
13685 if isinstance(p, tuple):
13687 self.__dict__.update(d)
13688 return self._set_from_binary(p)
13691 def _get_jax(self):
13693 import IMP.core._jax_rigid
13694 from IMP.algebra._jax_util
import (get_random_vector_on_3d_sphere,
13695 get_random_vector_in_3d_sphere,
13696 get_rotation_about_normalized_axis,
13697 _quaternion_multiply)
13698 max_angle = self.get_maximum_rotation()
13699 max_translation = self.get_maximum_translation()
13700 particle_index = self.get_index()
13701 body_index = IMP.core._jax_rigid._get_rigid_body_index(
13702 self.get_model(), self.get_index())
13704 def init_func(key):
13707 def propose_func(jm, key):
13708 body = jm[
'rigid_bodies'].bodies[body_index]
13709 tf = body.get_transformation(jm)
13711 if max_translation > 0:
13712 key, subkey = jax.random.split(key)
13713 tf.translation += get_random_vector_in_3d_sphere(
13714 subkey, max_translation)[0]
13716 key, subkey1, subkey2 = jax.random.split(key, 3)
13717 axis_norm = get_random_vector_on_3d_sphere(subkey1, 1.0)[0]
13718 angle = jax.random.uniform(
13719 subkey2, minval=-max_angle, maxval=max_angle)
13721 tf.rotation = _quaternion_multiply(rotation, tf.rotation)
13722 jm = body.set_transformation_lazy(tf, jm)
13723 return jm, key, 1.0
13725 return self._wrap_jax(init_func, propose_func, keys=[
'rigid_bodies'])
13729 _IMP_core.RigidBodyMover_swigregister(RigidBodyMover)
13730 class RigidBodyTunneler(MonteCarloMover):
13731 r"""Proxy of C++ IMP::core::RigidBodyTunneler class."""
13733 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13735 def __init__(self, m, pis, ref, k, move_probability=1.):
13736 r"""__init__(RigidBodyTunneler self, Model m, IMP::ParticleIndexes pis, ParticleIndex ref, double k, double move_probability=1.) -> RigidBodyTunneler"""
13737 _IMP_core.RigidBodyTunneler_swiginit(self, _IMP_core.new_RigidBodyTunneler(m, pis, ref, k, move_probability))
13739 def add_entry_point(self, fl):
13740 r"""add_entry_point(RigidBodyTunneler self, IMP::Floats fl)"""
13741 return _IMP_core.RigidBodyTunneler_add_entry_point(self, fl)
13743 def reset_stats(self):
13744 r"""reset_stats(RigidBodyTunneler self)"""
13745 return _IMP_core.RigidBodyTunneler_reset_stats(self)
13747 def get_number_of_rejected_moves(self):
13748 r"""get_number_of_rejected_moves(RigidBodyTunneler self) -> unsigned int"""
13749 return _IMP_core.RigidBodyTunneler_get_number_of_rejected_moves(self)
13751 def get_number_of_proposed_moves(self):
13752 r"""get_number_of_proposed_moves(RigidBodyTunneler self) -> unsigned int"""
13753 return _IMP_core.RigidBodyTunneler_get_number_of_proposed_moves(self)
13755 def get_number_of_impossible_moves(self):
13756 r"""get_number_of_impossible_moves(RigidBodyTunneler self) -> unsigned int"""
13757 return _IMP_core.RigidBodyTunneler_get_number_of_impossible_moves(self)
13759 def get_number_of_calls(self):
13760 r"""get_number_of_calls(RigidBodyTunneler self) -> unsigned int"""
13761 return _IMP_core.RigidBodyTunneler_get_number_of_calls(self)
13764 def get_reduced_coordinates(*args):
13766 get_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref) -> IMP::Floats
13767 get_reduced_coordinates(Model m, ParticleIndex pi) -> IMP::Floats
13769 return _IMP_core.RigidBodyTunneler_get_reduced_coordinates(*args)
13772 def set_reduced_coordinates(m, target, ref, coords):
13773 r"""set_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref, IMP::Floats coords)"""
13774 return _IMP_core.RigidBodyTunneler_set_reduced_coordinates(m, target, ref, coords)
13776 def get_version_info(self):
13777 r"""get_version_info(RigidBodyTunneler self) -> VersionInfo"""
13778 return _IMP_core.RigidBodyTunneler_get_version_info(self)
13779 __swig_destroy__ = _IMP_core.delete_RigidBodyTunneler
13782 r"""__str__(RigidBodyTunneler self) -> std::string"""
13783 return _IMP_core.RigidBodyTunneler___str__(self)
13785 def __repr__(self):
13786 r"""__repr__(RigidBodyTunneler self) -> std::string"""
13787 return _IMP_core.RigidBodyTunneler___repr__(self)
13791 return _object_cast_to_RigidBodyTunneler(o)
13795 _IMP_core.RigidBodyTunneler_swigregister(RigidBodyTunneler)
13797 r"""Proxy of C++ IMP::core::RigidBodyUmbrella class."""
13799 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13801 def __init__(self, *args):
13803 __init__(RigidBodyUmbrella self, Model m, ParticleIndex pi, ParticleIndex ref, IMP::Floats x0, double alpha, double k, std::string name="RigidBodyUmbrella %1%") -> RigidBodyUmbrella
13804 __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
13806 _IMP_core.RigidBodyUmbrella_swiginit(self, _IMP_core.new_RigidBodyUmbrella(*args))
13808 def set_x0(self, *args):
13810 set_x0(RigidBodyUmbrella self, IMP::Floats x0)
13811 set_x0(RigidBodyUmbrella self, double _lambda, IMP::Floats x1, IMP::Floats x2)
13813 return _IMP_core.RigidBodyUmbrella_set_x0(self, *args)
13816 r"""get_x0(RigidBodyUmbrella self) -> IMP::Floats"""
13817 return _IMP_core.RigidBodyUmbrella_get_x0(self)
13820 r"""get_x(RigidBodyUmbrella self) -> IMP::Floats"""
13821 return _IMP_core.RigidBodyUmbrella_get_x(self)
13823 def set_alpha(self, alpha):
13824 r"""set_alpha(RigidBodyUmbrella self, double alpha)"""
13825 return _IMP_core.RigidBodyUmbrella_set_alpha(self, alpha)
13827 def set_k(self, k):
13828 r"""set_k(RigidBodyUmbrella self, double k)"""
13829 return _IMP_core.RigidBodyUmbrella_set_k(self, k)
13831 def get_version_info(self):
13832 r"""get_version_info(RigidBodyUmbrella self) -> VersionInfo"""
13833 return _IMP_core.RigidBodyUmbrella_get_version_info(self)
13834 __swig_destroy__ = _IMP_core.delete_RigidBodyUmbrella
13837 r"""__str__(RigidBodyUmbrella self) -> std::string"""
13838 return _IMP_core.RigidBodyUmbrella___str__(self)
13840 def __repr__(self):
13841 r"""__repr__(RigidBodyUmbrella self) -> std::string"""
13842 return _IMP_core.RigidBodyUmbrella___repr__(self)
13846 return _object_cast_to_RigidBodyUmbrella(o)
13850 _IMP_core.RigidBodyUmbrella_swigregister(RigidBodyUmbrella)
13852 r"""Proxy of C++ IMP::core::VolumeRestraint class."""
13854 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13856 def __init__(self, f, sc, volume):
13857 r"""__init__(VolumeRestraint self, UnaryFunction f, SingletonContainer sc, double volume) -> VolumeRestraint"""
13858 _IMP_core.VolumeRestraint_swiginit(self, _IMP_core.new_VolumeRestraint(f, sc, volume))
13860 def do_get_inputs(self):
13861 r"""do_get_inputs(VolumeRestraint self) -> IMP::ModelObjectsTemp"""
13862 return _IMP_core.VolumeRestraint_do_get_inputs(self)
13864 def get_version_info(self):
13865 r"""get_version_info(VolumeRestraint self) -> VersionInfo"""
13866 return _IMP_core.VolumeRestraint_get_version_info(self)
13867 __swig_destroy__ = _IMP_core.delete_VolumeRestraint
13870 r"""__str__(VolumeRestraint self) -> std::string"""
13871 return _IMP_core.VolumeRestraint___str__(self)
13873 def __repr__(self):
13874 r"""__repr__(VolumeRestraint self) -> std::string"""
13875 return _IMP_core.VolumeRestraint___repr__(self)
13879 return _object_cast_to_VolumeRestraint(o)
13883 _IMP_core.VolumeRestraint_swigregister(VolumeRestraint)
13886 r"""get_centroid(IMP::core::XYZs const & ps) -> Vector3D"""
13887 return _IMP_core.get_centroid(ps)
13890 r"""get_bounding_box(IMP::core::XYZRs const & ps) -> BoundingBox3D"""
13891 return _IMP_core.get_bounding_box(ps)
13893 r"""Proxy of C++ IMP::core::MoveStatisticsScoreState class."""
13895 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13897 def __init__(self, ps):
13898 r"""__init__(MoveStatisticsScoreState self, IMP::ParticlesTemp const & ps) -> MoveStatisticsScoreState"""
13899 _IMP_core.MoveStatisticsScoreState_swiginit(self, _IMP_core.new_MoveStatisticsScoreState(ps))
13901 def show_statistics(self, *args):
13902 r"""show_statistics(MoveStatisticsScoreState self, _ostream out=std::cout)"""
13903 return _IMP_core.MoveStatisticsScoreState_show_statistics(self, *args)
13906 r"""reset(MoveStatisticsScoreState self)"""
13907 return _IMP_core.MoveStatisticsScoreState_reset(self)
13909 def do_before_evaluate(self):
13910 r"""do_before_evaluate(MoveStatisticsScoreState self)"""
13911 return _IMP_core.MoveStatisticsScoreState_do_before_evaluate(self)
13913 def do_after_evaluate(self, da):
13914 r"""do_after_evaluate(MoveStatisticsScoreState self, DerivativeAccumulator da)"""
13915 return _IMP_core.MoveStatisticsScoreState_do_after_evaluate(self, da)
13917 def do_get_inputs(self):
13918 r"""do_get_inputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
13919 return _IMP_core.MoveStatisticsScoreState_do_get_inputs(self)
13921 def do_get_outputs(self):
13922 r"""do_get_outputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
13923 return _IMP_core.MoveStatisticsScoreState_do_get_outputs(self)
13925 def get_version_info(self):
13926 r"""get_version_info(MoveStatisticsScoreState self) -> VersionInfo"""
13927 return _IMP_core.MoveStatisticsScoreState_get_version_info(self)
13928 __swig_destroy__ = _IMP_core.delete_MoveStatisticsScoreState
13931 r"""__str__(MoveStatisticsScoreState self) -> std::string"""
13932 return _IMP_core.MoveStatisticsScoreState___str__(self)
13934 def __repr__(self):
13935 r"""__repr__(MoveStatisticsScoreState self) -> std::string"""
13936 return _IMP_core.MoveStatisticsScoreState___repr__(self)
13940 return _object_cast_to_MoveStatisticsScoreState(o)
13944 _IMP_core.MoveStatisticsScoreState_swigregister(MoveStatisticsScoreState)
13945 IMP_PARTICLE_TYPE_INDEX = _IMP_core.IMP_PARTICLE_TYPE_INDEX
13948 r"""Proxy of C++ IMP::core::Typed class."""
13950 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13953 def get_type_key():
13954 r"""get_type_key() -> IntKey"""
13955 return _IMP_core.Typed_get_type_key()
13957 def __init__(self, *args):
13959 __init__(Typed self) -> Typed
13960 __init__(Typed self, Model m, ParticleIndex id) -> Typed
13961 __init__(Typed self, _ParticleAdaptor d) -> Typed
13963 _IMP_core.Typed_swiginit(self, _IMP_core.new_Typed(*args))
13965 def show(self, *args):
13966 r"""show(Typed self, _ostream out=std::cout)"""
13967 return _IMP_core.Typed_show(self, *args)
13970 def setup_particle(*args):
13972 setup_particle(Model m, ParticleIndex pi, ParticleType t) -> Typed
13973 setup_particle(_ParticleAdaptor pa, ParticleType t) -> Typed
13975 return _IMP_core.Typed_setup_particle(*args)
13978 def get_is_setup(*args):
13980 get_is_setup(_ParticleAdaptor p) -> bool
13981 get_is_setup(Model m, ParticleIndex pi) -> bool
13983 return _IMP_core.Typed_get_is_setup(*args)
13985 def get_type(self):
13986 r"""get_type(Typed self) -> ParticleType"""
13987 return _IMP_core.Typed_get_type(self)
13989 def set_type(self, pt):
13990 r"""set_type(Typed self, ParticleType pt)"""
13991 return _IMP_core.Typed_set_type(self, pt)
13993 def add_attribute(self, *args):
13995 add_attribute(Typed self, FloatKey k, IMP::Float v, bool opt)
13996 add_attribute(Typed self, FloatKey a0, IMP::Float a1)
13997 add_attribute(Typed self, IntKey a0, IMP::Int a1)
13998 add_attribute(Typed self, FloatsKey a0, IMP::Floats a1)
13999 add_attribute(Typed self, IntsKey a0, IMP::Ints a1)
14000 add_attribute(Typed self, StringKey a0, IMP::String a1)
14001 add_attribute(Typed self, ParticleIndexKey a0, Particle a1)
14002 add_attribute(Typed self, ObjectKey a0, Object a1)
14003 add_attribute(Typed self, SparseFloatKey a0, IMP::Float a1)
14004 add_attribute(Typed self, SparseIntKey a0, IMP::Int a1)
14005 add_attribute(Typed self, SparseStringKey a0, IMP::String a1)
14006 add_attribute(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
14008 return _IMP_core.Typed_add_attribute(self, *args)
14010 def get_value(self, *args):
14012 get_value(Typed self, FloatKey a0) -> IMP::Float
14013 get_value(Typed self, IntKey a0) -> IMP::Int
14014 get_value(Typed self, FloatsKey a0) -> IMP::Floats
14015 get_value(Typed self, IntsKey a0) -> IMP::Ints
14016 get_value(Typed self, StringKey a0) -> IMP::String
14017 get_value(Typed self, ParticleIndexKey a0) -> Particle
14018 get_value(Typed self, ObjectKey a0) -> Object
14019 get_value(Typed self, SparseFloatKey a0) -> IMP::Float
14020 get_value(Typed self, SparseIntKey a0) -> IMP::Int
14021 get_value(Typed self, SparseStringKey a0) -> IMP::String
14022 get_value(Typed self, SparseParticleIndexKey a0) -> ParticleIndex
14024 return _IMP_core.Typed_get_value(self, *args)
14026 def set_value(self, *args):
14028 set_value(Typed self, FloatKey a0, IMP::Float a1)
14029 set_value(Typed self, IntKey a0, IMP::Int a1)
14030 set_value(Typed self, FloatsKey a0, IMP::Floats a1)
14031 set_value(Typed self, IntsKey a0, IMP::Ints a1)
14032 set_value(Typed self, StringKey a0, IMP::String a1)
14033 set_value(Typed self, ParticleIndexKey a0, Particle a1)
14034 set_value(Typed self, ObjectKey a0, Object a1)
14035 set_value(Typed self, SparseFloatKey a0, IMP::Float a1)
14036 set_value(Typed self, SparseIntKey a0, IMP::Int a1)
14037 set_value(Typed self, SparseStringKey a0, IMP::String a1)
14038 set_value(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
14040 return _IMP_core.Typed_set_value(self, *args)
14042 def remove_attribute(self, *args):
14044 remove_attribute(Typed self, FloatKey a0)
14045 remove_attribute(Typed self, IntKey a0)
14046 remove_attribute(Typed self, FloatsKey a0)
14047 remove_attribute(Typed self, IntsKey a0)
14048 remove_attribute(Typed self, StringKey a0)
14049 remove_attribute(Typed self, ParticleIndexKey a0)
14050 remove_attribute(Typed self, ObjectKey a0)
14051 remove_attribute(Typed self, SparseFloatKey a0)
14052 remove_attribute(Typed self, SparseIntKey a0)
14053 remove_attribute(Typed self, SparseStringKey a0)
14054 remove_attribute(Typed self, SparseParticleIndexKey a0)
14056 return _IMP_core.Typed_remove_attribute(self, *args)
14058 def has_attribute(self, *args):
14060 has_attribute(Typed self, FloatKey a0) -> bool
14061 has_attribute(Typed self, IntKey a0) -> bool
14062 has_attribute(Typed self, FloatsKey a0) -> bool
14063 has_attribute(Typed self, IntsKey a0) -> bool
14064 has_attribute(Typed self, StringKey a0) -> bool
14065 has_attribute(Typed self, ParticleIndexKey a0) -> bool
14066 has_attribute(Typed self, ObjectKey a0) -> bool
14067 has_attribute(Typed self, SparseFloatKey a0) -> bool
14068 has_attribute(Typed self, SparseIntKey a0) -> bool
14069 has_attribute(Typed self, SparseStringKey a0) -> bool
14070 has_attribute(Typed self, SparseParticleIndexKey a0) -> bool
14072 return _IMP_core.Typed_has_attribute(self, *args)
14074 def get_derivative(self, a0):
14075 r"""get_derivative(Typed self, FloatKey a0) -> double"""
14076 return _IMP_core.Typed_get_derivative(self, a0)
14078 def get_name(self):
14079 r"""get_name(Typed self) -> std::string"""
14080 return _IMP_core.Typed_get_name(self)
14082 def clear_caches(self):
14083 r"""clear_caches(Typed self)"""
14084 return _IMP_core.Typed_clear_caches(self)
14086 def set_name(self, a0):
14087 r"""set_name(Typed self, std::string a0)"""
14088 return _IMP_core.Typed_set_name(self, a0)
14091 r"""set_check_level(Typed self, IMP::CheckLevel a0)"""
14092 return _IMP_core.Typed_set_check_level(self, a0)
14094 def add_to_derivative(self, a0, a1, a2):
14095 r"""add_to_derivative(Typed self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14096 return _IMP_core.Typed_add_to_derivative(self, a0, a1, a2)
14098 def set_is_optimized(self, a0, a1):
14099 r"""set_is_optimized(Typed self, FloatKey a0, bool a1)"""
14100 return _IMP_core.Typed_set_is_optimized(self, a0, a1)
14102 def get_is_optimized(self, a0):
14103 r"""get_is_optimized(Typed self, FloatKey a0) -> bool"""
14104 return _IMP_core.Typed_get_is_optimized(self, a0)
14107 r"""get_check_level(Typed self) -> IMP::CheckLevel"""
14108 return _IMP_core.Typed_get_check_level(self)
14110 def __eq__(self, *args):
14112 __eq__(Typed self, Typed o) -> bool
14113 __eq__(Typed self, Particle d) -> bool
14115 return _IMP_core.Typed___eq__(self, *args)
14117 def __ne__(self, *args):
14119 __ne__(Typed self, Typed o) -> bool
14120 __ne__(Typed self, Particle d) -> bool
14122 return _IMP_core.Typed___ne__(self, *args)
14124 def __le__(self, *args):
14126 __le__(Typed self, Typed o) -> bool
14127 __le__(Typed self, Particle d) -> bool
14129 return _IMP_core.Typed___le__(self, *args)
14131 def __lt__(self, *args):
14133 __lt__(Typed self, Typed o) -> bool
14134 __lt__(Typed self, Particle d) -> bool
14136 return _IMP_core.Typed___lt__(self, *args)
14138 def __ge__(self, *args):
14140 __ge__(Typed self, Typed o) -> bool
14141 __ge__(Typed self, Particle d) -> bool
14143 return _IMP_core.Typed___ge__(self, *args)
14145 def __gt__(self, *args):
14147 __gt__(Typed self, Typed o) -> bool
14148 __gt__(Typed self, Particle d) -> bool
14150 return _IMP_core.Typed___gt__(self, *args)
14152 def __hash__(self):
14153 r"""__hash__(Typed self) -> std::size_t"""
14154 return _IMP_core.Typed___hash__(self)
14157 r"""__str__(Typed self) -> std::string"""
14158 return _IMP_core.Typed___str__(self)
14160 def __repr__(self):
14161 r"""__repr__(Typed self) -> std::string"""
14162 return _IMP_core.Typed___repr__(self)
14164 def _get_as_binary(self):
14165 r"""_get_as_binary(Typed self) -> PyObject *"""
14166 return _IMP_core.Typed__get_as_binary(self)
14168 def _set_from_binary(self, p):
14169 r"""_set_from_binary(Typed self, PyObject * p)"""
14170 return _IMP_core.Typed__set_from_binary(self, p)
14172 def __getstate__(self):
14173 p = self._get_as_binary()
14174 if len(self.__dict__) > 1:
14175 d = self.__dict__.copy()
14180 def __setstate__(self, p):
14181 if not hasattr(self,
'this'):
14183 if isinstance(p, tuple):
14185 self.__dict__.update(d)
14186 return self._set_from_binary(p)
14188 __swig_destroy__ = _IMP_core.delete_Typed
14191 _IMP_core.Typed_swigregister(Typed)
14193 def __lshift__(*args):
14195 __lshift__(_ostream out, XYZ n) -> _ostream
14196 __lshift__(_ostream out, XYZR n) -> _ostream
14197 __lshift__(_ostream out, Direction n) -> _ostream
14198 __lshift__(_ostream out, DirectionAngle n) -> _ostream
14199 __lshift__(_ostream out, Surface n) -> _ostream
14200 __lshift__(_ostream out, Centroid n) -> _ostream
14201 __lshift__(_ostream out, Cover n) -> _ostream
14202 __lshift__(_ostream out, Reference n) -> _ostream
14203 __lshift__(_ostream out, RigidMember n) -> _ostream
14204 __lshift__(_ostream out, RigidBody n) -> _ostream
14205 __lshift__(_ostream out, Gaussian n) -> _ostream
14206 __lshift__(_ostream out, Typed n) -> _ostream
14208 return _IMP_core.__lshift__(*args)
14210 r"""Proxy of C++ IMP::core::WriteRestraintScoresOptimizerState class."""
14212 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14214 def __init__(self, rs, out):
14215 r"""__init__(WriteRestraintScoresOptimizerState self, IMP::Restraints const & rs, TextOutput out) -> WriteRestraintScoresOptimizerState"""
14216 _IMP_core.WriteRestraintScoresOptimizerState_swiginit(self, _IMP_core.new_WriteRestraintScoresOptimizerState(rs, out))
14218 def get_version_info(self):
14219 r"""get_version_info(WriteRestraintScoresOptimizerState self) -> VersionInfo"""
14220 return _IMP_core.WriteRestraintScoresOptimizerState_get_version_info(self)
14221 __swig_destroy__ = _IMP_core.delete_WriteRestraintScoresOptimizerState
14224 r"""__str__(WriteRestraintScoresOptimizerState self) -> std::string"""
14225 return _IMP_core.WriteRestraintScoresOptimizerState___str__(self)
14227 def __repr__(self):
14228 r"""__repr__(WriteRestraintScoresOptimizerState self) -> std::string"""
14229 return _IMP_core.WriteRestraintScoresOptimizerState___repr__(self)
14233 return _object_cast_to_WriteRestraintScoresOptimizerState(o)
14237 _IMP_core.WriteRestraintScoresOptimizerState_swigregister(WriteRestraintScoresOptimizerState)
14240 r"""assign_blame(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, FloatKey attribute)"""
14241 return _IMP_core.assign_blame(rs, ps, attribute)
14244 r"""create_blame_geometries(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, double max=NO_MAX, std::string name=std::string()) -> IMP::display::Geometries"""
14245 return _IMP_core.create_blame_geometries(*args)
14247 r"""Proxy of C++ IMP::core::MultipleBinormalRestraint class."""
14249 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14251 def __init__(self, m, q1, q2):
14252 r"""__init__(MultipleBinormalRestraint self, Model m, IMP::ParticleIndexQuad const & q1, IMP::ParticleIndexQuad const & q2) -> MultipleBinormalRestraint"""
14253 _IMP_core.MultipleBinormalRestraint_swiginit(self, _IMP_core.new_MultipleBinormalRestraint(m, q1, q2))
14255 def add_term(self, term):
14256 r"""add_term(MultipleBinormalRestraint self, BinormalTerm term)"""
14257 return _IMP_core.MultipleBinormalRestraint_add_term(self, term)
14259 def do_get_inputs(self):
14260 r"""do_get_inputs(MultipleBinormalRestraint self) -> IMP::ModelObjectsTemp"""
14261 return _IMP_core.MultipleBinormalRestraint_do_get_inputs(self)
14263 def get_version_info(self):
14264 r"""get_version_info(MultipleBinormalRestraint self) -> VersionInfo"""
14265 return _IMP_core.MultipleBinormalRestraint_get_version_info(self)
14266 __swig_destroy__ = _IMP_core.delete_MultipleBinormalRestraint
14269 r"""__str__(MultipleBinormalRestraint self) -> std::string"""
14270 return _IMP_core.MultipleBinormalRestraint___str__(self)
14272 def __repr__(self):
14273 r"""__repr__(MultipleBinormalRestraint self) -> std::string"""
14274 return _IMP_core.MultipleBinormalRestraint___repr__(self)
14278 return _object_cast_to_MultipleBinormalRestraint(o)
14282 _IMP_core.MultipleBinormalRestraint_swigregister(MultipleBinormalRestraint)
14283 class BinormalTerm(object):
14284 r"""Proxy of C++ IMP::core::BinormalTerm class."""
14286 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14288 def __init__(self):
14289 r"""__init__(BinormalTerm self) -> BinormalTerm"""
14290 _IMP_core.BinormalTerm_swiginit(self, _IMP_core.new_BinormalTerm())
14292 def set_correlation(self, correlation):
14293 r"""set_correlation(BinormalTerm self, double correlation)"""
14294 return _IMP_core.BinormalTerm_set_correlation(self, correlation)
14296 def set_weight(self, weight):
14297 r"""set_weight(BinormalTerm self, double weight)"""
14298 return _IMP_core.BinormalTerm_set_weight(self, weight)
14300 def set_means(self, means):
14301 r"""set_means(BinormalTerm self, IMP::FloatPair means)"""
14302 return _IMP_core.BinormalTerm_set_means(self, means)
14304 def set_standard_deviations(self, stdevs):
14305 r"""set_standard_deviations(BinormalTerm self, IMP::FloatPair stdevs)"""
14306 return _IMP_core.BinormalTerm_set_standard_deviations(self, stdevs)
14308 def show(self, *args):
14309 r"""show(BinormalTerm self, _ostream out=std::cout)"""
14310 return _IMP_core.BinormalTerm_show(self, *args)
14313 r"""__str__(BinormalTerm self) -> std::string"""
14314 return _IMP_core.BinormalTerm___str__(self)
14316 def __repr__(self):
14317 r"""__repr__(BinormalTerm self) -> std::string"""
14318 return _IMP_core.BinormalTerm___repr__(self)
14320 def _get_as_binary(self):
14321 r"""_get_as_binary(BinormalTerm self) -> PyObject *"""
14322 return _IMP_core.BinormalTerm__get_as_binary(self)
14324 def _set_from_binary(self, p):
14325 r"""_set_from_binary(BinormalTerm self, PyObject * p)"""
14326 return _IMP_core.BinormalTerm__set_from_binary(self, p)
14328 def __getstate__(self):
14329 p = self._get_as_binary()
14330 if len(self.__dict__) > 1:
14331 d = self.__dict__.copy()
14336 def __setstate__(self, p):
14337 if not hasattr(self,
'this'):
14339 if isinstance(p, tuple):
14341 self.__dict__.update(d)
14342 return self._set_from_binary(p)
14344 __swig_destroy__ = _IMP_core.delete_BinormalTerm
14347 _IMP_core.BinormalTerm_swigregister(BinormalTerm)
14349 r"""Proxy of C++ IMP::core::Provenance class."""
14351 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14353 def get_previous(self):
14354 r"""get_previous(Provenance self) -> Provenance"""
14355 return _IMP_core.Provenance_get_previous(self)
14357 def set_previous(self, p):
14358 r"""set_previous(Provenance self, Provenance p)"""
14359 return _IMP_core.Provenance_set_previous(self, p)
14361 def __init__(self, *args):
14363 __init__(Provenance self) -> Provenance
14364 __init__(Provenance self, Model m, ParticleIndex id) -> Provenance
14365 __init__(Provenance self, _ParticleAdaptor d) -> Provenance
14367 _IMP_core.Provenance_swiginit(self, _IMP_core.new_Provenance(*args))
14370 def get_is_setup(*args):
14372 get_is_setup(Model m, ParticleIndex pi) -> bool
14373 get_is_setup(_ParticleAdaptor p) -> bool
14375 return _IMP_core.Provenance_get_is_setup(*args)
14377 def show(self, *args):
14378 r"""show(Provenance self, _ostream out=std::cout)"""
14379 return _IMP_core.Provenance_show(self, *args)
14382 def setup_particle(*args):
14384 setup_particle(Model m, ParticleIndex pi) -> Provenance
14385 setup_particle(_ParticleAdaptor pa) -> Provenance
14387 return _IMP_core.Provenance_setup_particle(*args)
14389 def add_attribute(self, *args):
14391 add_attribute(Provenance self, FloatKey k, IMP::Float v, bool opt)
14392 add_attribute(Provenance self, FloatKey a0, IMP::Float a1)
14393 add_attribute(Provenance self, IntKey a0, IMP::Int a1)
14394 add_attribute(Provenance self, FloatsKey a0, IMP::Floats a1)
14395 add_attribute(Provenance self, IntsKey a0, IMP::Ints a1)
14396 add_attribute(Provenance self, StringKey a0, IMP::String a1)
14397 add_attribute(Provenance self, ParticleIndexKey a0, Particle a1)
14398 add_attribute(Provenance self, ObjectKey a0, Object a1)
14399 add_attribute(Provenance self, SparseFloatKey a0, IMP::Float a1)
14400 add_attribute(Provenance self, SparseIntKey a0, IMP::Int a1)
14401 add_attribute(Provenance self, SparseStringKey a0, IMP::String a1)
14402 add_attribute(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14404 return _IMP_core.Provenance_add_attribute(self, *args)
14406 def get_value(self, *args):
14408 get_value(Provenance self, FloatKey a0) -> IMP::Float
14409 get_value(Provenance self, IntKey a0) -> IMP::Int
14410 get_value(Provenance self, FloatsKey a0) -> IMP::Floats
14411 get_value(Provenance self, IntsKey a0) -> IMP::Ints
14412 get_value(Provenance self, StringKey a0) -> IMP::String
14413 get_value(Provenance self, ParticleIndexKey a0) -> Particle
14414 get_value(Provenance self, ObjectKey a0) -> Object
14415 get_value(Provenance self, SparseFloatKey a0) -> IMP::Float
14416 get_value(Provenance self, SparseIntKey a0) -> IMP::Int
14417 get_value(Provenance self, SparseStringKey a0) -> IMP::String
14418 get_value(Provenance self, SparseParticleIndexKey a0) -> ParticleIndex
14420 return _IMP_core.Provenance_get_value(self, *args)
14422 def set_value(self, *args):
14424 set_value(Provenance self, FloatKey a0, IMP::Float a1)
14425 set_value(Provenance self, IntKey a0, IMP::Int a1)
14426 set_value(Provenance self, FloatsKey a0, IMP::Floats a1)
14427 set_value(Provenance self, IntsKey a0, IMP::Ints a1)
14428 set_value(Provenance self, StringKey a0, IMP::String a1)
14429 set_value(Provenance self, ParticleIndexKey a0, Particle a1)
14430 set_value(Provenance self, ObjectKey a0, Object a1)
14431 set_value(Provenance self, SparseFloatKey a0, IMP::Float a1)
14432 set_value(Provenance self, SparseIntKey a0, IMP::Int a1)
14433 set_value(Provenance self, SparseStringKey a0, IMP::String a1)
14434 set_value(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14436 return _IMP_core.Provenance_set_value(self, *args)
14438 def remove_attribute(self, *args):
14440 remove_attribute(Provenance self, FloatKey a0)
14441 remove_attribute(Provenance self, IntKey a0)
14442 remove_attribute(Provenance self, FloatsKey a0)
14443 remove_attribute(Provenance self, IntsKey a0)
14444 remove_attribute(Provenance self, StringKey a0)
14445 remove_attribute(Provenance self, ParticleIndexKey a0)
14446 remove_attribute(Provenance self, ObjectKey a0)
14447 remove_attribute(Provenance self, SparseFloatKey a0)
14448 remove_attribute(Provenance self, SparseIntKey a0)
14449 remove_attribute(Provenance self, SparseStringKey a0)
14450 remove_attribute(Provenance self, SparseParticleIndexKey a0)
14452 return _IMP_core.Provenance_remove_attribute(self, *args)
14454 def has_attribute(self, *args):
14456 has_attribute(Provenance self, FloatKey a0) -> bool
14457 has_attribute(Provenance self, IntKey a0) -> bool
14458 has_attribute(Provenance self, FloatsKey a0) -> bool
14459 has_attribute(Provenance self, IntsKey a0) -> bool
14460 has_attribute(Provenance self, StringKey a0) -> bool
14461 has_attribute(Provenance self, ParticleIndexKey a0) -> bool
14462 has_attribute(Provenance self, ObjectKey a0) -> bool
14463 has_attribute(Provenance self, SparseFloatKey a0) -> bool
14464 has_attribute(Provenance self, SparseIntKey a0) -> bool
14465 has_attribute(Provenance self, SparseStringKey a0) -> bool
14466 has_attribute(Provenance self, SparseParticleIndexKey a0) -> bool
14468 return _IMP_core.Provenance_has_attribute(self, *args)
14470 def get_derivative(self, a0):
14471 r"""get_derivative(Provenance self, FloatKey a0) -> double"""
14472 return _IMP_core.Provenance_get_derivative(self, a0)
14474 def get_name(self):
14475 r"""get_name(Provenance self) -> std::string"""
14476 return _IMP_core.Provenance_get_name(self)
14478 def clear_caches(self):
14479 r"""clear_caches(Provenance self)"""
14480 return _IMP_core.Provenance_clear_caches(self)
14482 def set_name(self, a0):
14483 r"""set_name(Provenance self, std::string a0)"""
14484 return _IMP_core.Provenance_set_name(self, a0)
14487 r"""set_check_level(Provenance self, IMP::CheckLevel a0)"""
14488 return _IMP_core.Provenance_set_check_level(self, a0)
14490 def add_to_derivative(self, a0, a1, a2):
14491 r"""add_to_derivative(Provenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14492 return _IMP_core.Provenance_add_to_derivative(self, a0, a1, a2)
14494 def set_is_optimized(self, a0, a1):
14495 r"""set_is_optimized(Provenance self, FloatKey a0, bool a1)"""
14496 return _IMP_core.Provenance_set_is_optimized(self, a0, a1)
14498 def get_is_optimized(self, a0):
14499 r"""get_is_optimized(Provenance self, FloatKey a0) -> bool"""
14500 return _IMP_core.Provenance_get_is_optimized(self, a0)
14503 r"""get_check_level(Provenance self) -> IMP::CheckLevel"""
14504 return _IMP_core.Provenance_get_check_level(self)
14506 def __eq__(self, *args):
14508 __eq__(Provenance self, Provenance o) -> bool
14509 __eq__(Provenance self, Particle d) -> bool
14511 return _IMP_core.Provenance___eq__(self, *args)
14513 def __ne__(self, *args):
14515 __ne__(Provenance self, Provenance o) -> bool
14516 __ne__(Provenance self, Particle d) -> bool
14518 return _IMP_core.Provenance___ne__(self, *args)
14520 def __le__(self, *args):
14522 __le__(Provenance self, Provenance o) -> bool
14523 __le__(Provenance self, Particle d) -> bool
14525 return _IMP_core.Provenance___le__(self, *args)
14527 def __lt__(self, *args):
14529 __lt__(Provenance self, Provenance o) -> bool
14530 __lt__(Provenance self, Particle d) -> bool
14532 return _IMP_core.Provenance___lt__(self, *args)
14534 def __ge__(self, *args):
14536 __ge__(Provenance self, Provenance o) -> bool
14537 __ge__(Provenance self, Particle d) -> bool
14539 return _IMP_core.Provenance___ge__(self, *args)
14541 def __gt__(self, *args):
14543 __gt__(Provenance self, Provenance o) -> bool
14544 __gt__(Provenance self, Particle d) -> bool
14546 return _IMP_core.Provenance___gt__(self, *args)
14548 def __hash__(self):
14549 r"""__hash__(Provenance self) -> std::size_t"""
14550 return _IMP_core.Provenance___hash__(self)
14553 r"""__str__(Provenance self) -> std::string"""
14554 return _IMP_core.Provenance___str__(self)
14556 def __repr__(self):
14557 r"""__repr__(Provenance self) -> std::string"""
14558 return _IMP_core.Provenance___repr__(self)
14560 def _get_as_binary(self):
14561 r"""_get_as_binary(Provenance self) -> PyObject *"""
14562 return _IMP_core.Provenance__get_as_binary(self)
14564 def _set_from_binary(self, p):
14565 r"""_set_from_binary(Provenance self, PyObject * p)"""
14566 return _IMP_core.Provenance__set_from_binary(self, p)
14568 def __getstate__(self):
14569 p = self._get_as_binary()
14570 if len(self.__dict__) > 1:
14571 d = self.__dict__.copy()
14576 def __setstate__(self, p):
14577 if not hasattr(self,
'this'):
14579 if isinstance(p, tuple):
14581 self.__dict__.update(d)
14582 return self._set_from_binary(p)
14584 __swig_destroy__ = _IMP_core.delete_Provenance
14587 _IMP_core.Provenance_swigregister(Provenance)
14588 class StructureProvenance(Provenance):
14589 r"""Proxy of C++ IMP::core::StructureProvenance class."""
14591 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14593 def set_filename(self, filename):
14594 r"""set_filename(StructureProvenance self, std::string filename)"""
14595 return _IMP_core.StructureProvenance_set_filename(self, filename)
14597 def get_filename(self):
14598 r"""get_filename(StructureProvenance self) -> std::string"""
14599 return _IMP_core.StructureProvenance_get_filename(self)
14601 def set_chain_id(self, chain_id):
14602 r"""set_chain_id(StructureProvenance self, std::string chain_id)"""
14603 return _IMP_core.StructureProvenance_set_chain_id(self, chain_id)
14606 r"""get_chain_id(StructureProvenance self) -> std::string"""
14607 return _IMP_core.StructureProvenance_get_chain_id(self)
14609 def set_residue_offset(self, residue_offset):
14610 r"""set_residue_offset(StructureProvenance self, int residue_offset)"""
14611 return _IMP_core.StructureProvenance_set_residue_offset(self, residue_offset)
14613 def get_residue_offset(self):
14614 r"""get_residue_offset(StructureProvenance self) -> int"""
14615 return _IMP_core.StructureProvenance_get_residue_offset(self)
14617 def __init__(self, *args):
14619 __init__(StructureProvenance self) -> StructureProvenance
14620 __init__(StructureProvenance self, Model m, ParticleIndex id) -> StructureProvenance
14621 __init__(StructureProvenance self, _ParticleAdaptor d) -> StructureProvenance
14623 _IMP_core.StructureProvenance_swiginit(self, _IMP_core.new_StructureProvenance(*args))
14626 def get_is_setup(*args):
14628 get_is_setup(Model m, ParticleIndex pi) -> bool
14629 get_is_setup(_ParticleAdaptor p) -> bool
14631 return _IMP_core.StructureProvenance_get_is_setup(*args)
14633 def show(self, *args):
14634 r"""show(StructureProvenance self, _ostream out=std::cout)"""
14635 return _IMP_core.StructureProvenance_show(self, *args)
14638 def setup_particle(*args):
14640 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14641 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14642 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id) -> StructureProvenance
14643 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id) -> StructureProvenance
14644 setup_particle(Model m, ParticleIndex pi, StructureProvenance o) -> StructureProvenance
14645 setup_particle(_ParticleAdaptor pa, StructureProvenance o) -> StructureProvenance
14647 return _IMP_core.StructureProvenance_setup_particle(*args)
14649 def add_attribute(self, *args):
14651 add_attribute(StructureProvenance self, FloatKey k, IMP::Float v, bool opt)
14652 add_attribute(StructureProvenance self, FloatKey a0, IMP::Float a1)
14653 add_attribute(StructureProvenance self, IntKey a0, IMP::Int a1)
14654 add_attribute(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14655 add_attribute(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14656 add_attribute(StructureProvenance self, StringKey a0, IMP::String a1)
14657 add_attribute(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14658 add_attribute(StructureProvenance self, ObjectKey a0, Object a1)
14659 add_attribute(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14660 add_attribute(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14661 add_attribute(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14662 add_attribute(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14664 return _IMP_core.StructureProvenance_add_attribute(self, *args)
14666 def get_value(self, *args):
14668 get_value(StructureProvenance self, FloatKey a0) -> IMP::Float
14669 get_value(StructureProvenance self, IntKey a0) -> IMP::Int
14670 get_value(StructureProvenance self, FloatsKey a0) -> IMP::Floats
14671 get_value(StructureProvenance self, IntsKey a0) -> IMP::Ints
14672 get_value(StructureProvenance self, StringKey a0) -> IMP::String
14673 get_value(StructureProvenance self, ParticleIndexKey a0) -> Particle
14674 get_value(StructureProvenance self, ObjectKey a0) -> Object
14675 get_value(StructureProvenance self, SparseFloatKey a0) -> IMP::Float
14676 get_value(StructureProvenance self, SparseIntKey a0) -> IMP::Int
14677 get_value(StructureProvenance self, SparseStringKey a0) -> IMP::String
14678 get_value(StructureProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14680 return _IMP_core.StructureProvenance_get_value(self, *args)
14682 def set_value(self, *args):
14684 set_value(StructureProvenance self, FloatKey a0, IMP::Float a1)
14685 set_value(StructureProvenance self, IntKey a0, IMP::Int a1)
14686 set_value(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14687 set_value(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14688 set_value(StructureProvenance self, StringKey a0, IMP::String a1)
14689 set_value(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14690 set_value(StructureProvenance self, ObjectKey a0, Object a1)
14691 set_value(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14692 set_value(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14693 set_value(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14694 set_value(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14696 return _IMP_core.StructureProvenance_set_value(self, *args)
14698 def remove_attribute(self, *args):
14700 remove_attribute(StructureProvenance self, FloatKey a0)
14701 remove_attribute(StructureProvenance self, IntKey a0)
14702 remove_attribute(StructureProvenance self, FloatsKey a0)
14703 remove_attribute(StructureProvenance self, IntsKey a0)
14704 remove_attribute(StructureProvenance self, StringKey a0)
14705 remove_attribute(StructureProvenance self, ParticleIndexKey a0)
14706 remove_attribute(StructureProvenance self, ObjectKey a0)
14707 remove_attribute(StructureProvenance self, SparseFloatKey a0)
14708 remove_attribute(StructureProvenance self, SparseIntKey a0)
14709 remove_attribute(StructureProvenance self, SparseStringKey a0)
14710 remove_attribute(StructureProvenance self, SparseParticleIndexKey a0)
14712 return _IMP_core.StructureProvenance_remove_attribute(self, *args)
14714 def has_attribute(self, *args):
14716 has_attribute(StructureProvenance self, FloatKey a0) -> bool
14717 has_attribute(StructureProvenance self, IntKey a0) -> bool
14718 has_attribute(StructureProvenance self, FloatsKey a0) -> bool
14719 has_attribute(StructureProvenance self, IntsKey a0) -> bool
14720 has_attribute(StructureProvenance self, StringKey a0) -> bool
14721 has_attribute(StructureProvenance self, ParticleIndexKey a0) -> bool
14722 has_attribute(StructureProvenance self, ObjectKey a0) -> bool
14723 has_attribute(StructureProvenance self, SparseFloatKey a0) -> bool
14724 has_attribute(StructureProvenance self, SparseIntKey a0) -> bool
14725 has_attribute(StructureProvenance self, SparseStringKey a0) -> bool
14726 has_attribute(StructureProvenance self, SparseParticleIndexKey a0) -> bool
14728 return _IMP_core.StructureProvenance_has_attribute(self, *args)
14730 def get_derivative(self, a0):
14731 r"""get_derivative(StructureProvenance self, FloatKey a0) -> double"""
14732 return _IMP_core.StructureProvenance_get_derivative(self, a0)
14734 def get_name(self):
14735 r"""get_name(StructureProvenance self) -> std::string"""
14736 return _IMP_core.StructureProvenance_get_name(self)
14738 def clear_caches(self):
14739 r"""clear_caches(StructureProvenance self)"""
14740 return _IMP_core.StructureProvenance_clear_caches(self)
14742 def set_name(self, a0):
14743 r"""set_name(StructureProvenance self, std::string a0)"""
14744 return _IMP_core.StructureProvenance_set_name(self, a0)
14747 r"""set_check_level(StructureProvenance self, IMP::CheckLevel a0)"""
14748 return _IMP_core.StructureProvenance_set_check_level(self, a0)
14750 def add_to_derivative(self, a0, a1, a2):
14751 r"""add_to_derivative(StructureProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14752 return _IMP_core.StructureProvenance_add_to_derivative(self, a0, a1, a2)
14754 def set_is_optimized(self, a0, a1):
14755 r"""set_is_optimized(StructureProvenance self, FloatKey a0, bool a1)"""
14756 return _IMP_core.StructureProvenance_set_is_optimized(self, a0, a1)
14758 def get_is_optimized(self, a0):
14759 r"""get_is_optimized(StructureProvenance self, FloatKey a0) -> bool"""
14760 return _IMP_core.StructureProvenance_get_is_optimized(self, a0)
14763 r"""get_check_level(StructureProvenance self) -> IMP::CheckLevel"""
14764 return _IMP_core.StructureProvenance_get_check_level(self)
14766 def __eq__(self, *args):
14768 __eq__(StructureProvenance self, StructureProvenance o) -> bool
14769 __eq__(StructureProvenance self, Particle d) -> bool
14771 return _IMP_core.StructureProvenance___eq__(self, *args)
14773 def __ne__(self, *args):
14775 __ne__(StructureProvenance self, StructureProvenance o) -> bool
14776 __ne__(StructureProvenance self, Particle d) -> bool
14778 return _IMP_core.StructureProvenance___ne__(self, *args)
14780 def __le__(self, *args):
14782 __le__(StructureProvenance self, StructureProvenance o) -> bool
14783 __le__(StructureProvenance self, Particle d) -> bool
14785 return _IMP_core.StructureProvenance___le__(self, *args)
14787 def __lt__(self, *args):
14789 __lt__(StructureProvenance self, StructureProvenance o) -> bool
14790 __lt__(StructureProvenance self, Particle d) -> bool
14792 return _IMP_core.StructureProvenance___lt__(self, *args)
14794 def __ge__(self, *args):
14796 __ge__(StructureProvenance self, StructureProvenance o) -> bool
14797 __ge__(StructureProvenance self, Particle d) -> bool
14799 return _IMP_core.StructureProvenance___ge__(self, *args)
14801 def __gt__(self, *args):
14803 __gt__(StructureProvenance self, StructureProvenance o) -> bool
14804 __gt__(StructureProvenance self, Particle d) -> bool
14806 return _IMP_core.StructureProvenance___gt__(self, *args)
14808 def __hash__(self):
14809 r"""__hash__(StructureProvenance self) -> std::size_t"""
14810 return _IMP_core.StructureProvenance___hash__(self)
14813 r"""__str__(StructureProvenance self) -> std::string"""
14814 return _IMP_core.StructureProvenance___str__(self)
14816 def __repr__(self):
14817 r"""__repr__(StructureProvenance self) -> std::string"""
14818 return _IMP_core.StructureProvenance___repr__(self)
14820 def _get_as_binary(self):
14821 r"""_get_as_binary(StructureProvenance self) -> PyObject *"""
14822 return _IMP_core.StructureProvenance__get_as_binary(self)
14824 def _set_from_binary(self, p):
14825 r"""_set_from_binary(StructureProvenance self, PyObject * p)"""
14826 return _IMP_core.StructureProvenance__set_from_binary(self, p)
14828 def __getstate__(self):
14829 p = self._get_as_binary()
14830 if len(self.__dict__) > 1:
14831 d = self.__dict__.copy()
14836 def __setstate__(self, p):
14837 if not hasattr(self,
'this'):
14839 if isinstance(p, tuple):
14841 self.__dict__.update(d)
14842 return self._set_from_binary(p)
14844 __swig_destroy__ = _IMP_core.delete_StructureProvenance
14847 _IMP_core.StructureProvenance_swigregister(StructureProvenance)
14848 class SampleProvenance(Provenance):
14849 r"""Proxy of C++ IMP::core::SampleProvenance class."""
14851 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14853 def set_method(self, method):
14854 r"""set_method(SampleProvenance self, std::string method)"""
14855 return _IMP_core.SampleProvenance_set_method(self, method)
14857 def get_method(self):
14858 r"""get_method(SampleProvenance self) -> std::string"""
14859 return _IMP_core.SampleProvenance_get_method(self)
14861 def set_number_of_frames(self, frames):
14862 r"""set_number_of_frames(SampleProvenance self, int frames)"""
14863 return _IMP_core.SampleProvenance_set_number_of_frames(self, frames)
14866 r"""get_number_of_frames(SampleProvenance self) -> int"""
14867 return _IMP_core.SampleProvenance_get_number_of_frames(self)
14869 def set_number_of_iterations(self, iterations):
14870 r"""set_number_of_iterations(SampleProvenance self, int iterations)"""
14871 return _IMP_core.SampleProvenance_set_number_of_iterations(self, iterations)
14873 def get_number_of_iterations(self):
14874 r"""get_number_of_iterations(SampleProvenance self) -> int"""
14875 return _IMP_core.SampleProvenance_get_number_of_iterations(self)
14877 def set_number_of_replicas(self, replicas):
14878 r"""set_number_of_replicas(SampleProvenance self, int replicas)"""
14879 return _IMP_core.SampleProvenance_set_number_of_replicas(self, replicas)
14881 def get_number_of_replicas(self):
14882 r"""get_number_of_replicas(SampleProvenance self) -> int"""
14883 return _IMP_core.SampleProvenance_get_number_of_replicas(self)
14885 def __init__(self, *args):
14887 __init__(SampleProvenance self) -> SampleProvenance
14888 __init__(SampleProvenance self, Model m, ParticleIndex id) -> SampleProvenance
14889 __init__(SampleProvenance self, _ParticleAdaptor d) -> SampleProvenance
14891 _IMP_core.SampleProvenance_swiginit(self, _IMP_core.new_SampleProvenance(*args))
14894 def get_is_setup(*args):
14896 get_is_setup(Model m, ParticleIndex pi) -> bool
14897 get_is_setup(_ParticleAdaptor p) -> bool
14899 return _IMP_core.SampleProvenance_get_is_setup(*args)
14901 def show(self, *args):
14902 r"""show(SampleProvenance self, _ostream out=std::cout)"""
14903 return _IMP_core.SampleProvenance_show(self, *args)
14906 def setup_particle(*args):
14908 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
14909 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
14910 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations) -> SampleProvenance
14911 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations) -> SampleProvenance
14912 setup_particle(Model m, ParticleIndex pi, SampleProvenance o) -> SampleProvenance
14913 setup_particle(_ParticleAdaptor pa, SampleProvenance o) -> SampleProvenance
14915 return _IMP_core.SampleProvenance_setup_particle(*args)
14917 def add_attribute(self, *args):
14919 add_attribute(SampleProvenance self, FloatKey k, IMP::Float v, bool opt)
14920 add_attribute(SampleProvenance self, FloatKey a0, IMP::Float a1)
14921 add_attribute(SampleProvenance self, IntKey a0, IMP::Int a1)
14922 add_attribute(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
14923 add_attribute(SampleProvenance self, IntsKey a0, IMP::Ints a1)
14924 add_attribute(SampleProvenance self, StringKey a0, IMP::String a1)
14925 add_attribute(SampleProvenance self, ParticleIndexKey a0, Particle a1)
14926 add_attribute(SampleProvenance self, ObjectKey a0, Object a1)
14927 add_attribute(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
14928 add_attribute(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
14929 add_attribute(SampleProvenance self, SparseStringKey a0, IMP::String a1)
14930 add_attribute(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14932 return _IMP_core.SampleProvenance_add_attribute(self, *args)
14934 def get_value(self, *args):
14936 get_value(SampleProvenance self, FloatKey a0) -> IMP::Float
14937 get_value(SampleProvenance self, IntKey a0) -> IMP::Int
14938 get_value(SampleProvenance self, FloatsKey a0) -> IMP::Floats
14939 get_value(SampleProvenance self, IntsKey a0) -> IMP::Ints
14940 get_value(SampleProvenance self, StringKey a0) -> IMP::String
14941 get_value(SampleProvenance self, ParticleIndexKey a0) -> Particle
14942 get_value(SampleProvenance self, ObjectKey a0) -> Object
14943 get_value(SampleProvenance self, SparseFloatKey a0) -> IMP::Float
14944 get_value(SampleProvenance self, SparseIntKey a0) -> IMP::Int
14945 get_value(SampleProvenance self, SparseStringKey a0) -> IMP::String
14946 get_value(SampleProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14948 return _IMP_core.SampleProvenance_get_value(self, *args)
14950 def set_value(self, *args):
14952 set_value(SampleProvenance self, FloatKey a0, IMP::Float a1)
14953 set_value(SampleProvenance self, IntKey a0, IMP::Int a1)
14954 set_value(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
14955 set_value(SampleProvenance self, IntsKey a0, IMP::Ints a1)
14956 set_value(SampleProvenance self, StringKey a0, IMP::String a1)
14957 set_value(SampleProvenance self, ParticleIndexKey a0, Particle a1)
14958 set_value(SampleProvenance self, ObjectKey a0, Object a1)
14959 set_value(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
14960 set_value(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
14961 set_value(SampleProvenance self, SparseStringKey a0, IMP::String a1)
14962 set_value(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14964 return _IMP_core.SampleProvenance_set_value(self, *args)
14966 def remove_attribute(self, *args):
14968 remove_attribute(SampleProvenance self, FloatKey a0)
14969 remove_attribute(SampleProvenance self, IntKey a0)
14970 remove_attribute(SampleProvenance self, FloatsKey a0)
14971 remove_attribute(SampleProvenance self, IntsKey a0)
14972 remove_attribute(SampleProvenance self, StringKey a0)
14973 remove_attribute(SampleProvenance self, ParticleIndexKey a0)
14974 remove_attribute(SampleProvenance self, ObjectKey a0)
14975 remove_attribute(SampleProvenance self, SparseFloatKey a0)
14976 remove_attribute(SampleProvenance self, SparseIntKey a0)
14977 remove_attribute(SampleProvenance self, SparseStringKey a0)
14978 remove_attribute(SampleProvenance self, SparseParticleIndexKey a0)
14980 return _IMP_core.SampleProvenance_remove_attribute(self, *args)
14982 def has_attribute(self, *args):
14984 has_attribute(SampleProvenance self, FloatKey a0) -> bool
14985 has_attribute(SampleProvenance self, IntKey a0) -> bool
14986 has_attribute(SampleProvenance self, FloatsKey a0) -> bool
14987 has_attribute(SampleProvenance self, IntsKey a0) -> bool
14988 has_attribute(SampleProvenance self, StringKey a0) -> bool
14989 has_attribute(SampleProvenance self, ParticleIndexKey a0) -> bool
14990 has_attribute(SampleProvenance self, ObjectKey a0) -> bool
14991 has_attribute(SampleProvenance self, SparseFloatKey a0) -> bool
14992 has_attribute(SampleProvenance self, SparseIntKey a0) -> bool
14993 has_attribute(SampleProvenance self, SparseStringKey a0) -> bool
14994 has_attribute(SampleProvenance self, SparseParticleIndexKey a0) -> bool
14996 return _IMP_core.SampleProvenance_has_attribute(self, *args)
14998 def get_derivative(self, a0):
14999 r"""get_derivative(SampleProvenance self, FloatKey a0) -> double"""
15000 return _IMP_core.SampleProvenance_get_derivative(self, a0)
15002 def get_name(self):
15003 r"""get_name(SampleProvenance self) -> std::string"""
15004 return _IMP_core.SampleProvenance_get_name(self)
15006 def clear_caches(self):
15007 r"""clear_caches(SampleProvenance self)"""
15008 return _IMP_core.SampleProvenance_clear_caches(self)
15010 def set_name(self, a0):
15011 r"""set_name(SampleProvenance self, std::string a0)"""
15012 return _IMP_core.SampleProvenance_set_name(self, a0)
15015 r"""set_check_level(SampleProvenance self, IMP::CheckLevel a0)"""
15016 return _IMP_core.SampleProvenance_set_check_level(self, a0)
15018 def add_to_derivative(self, a0, a1, a2):
15019 r"""add_to_derivative(SampleProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15020 return _IMP_core.SampleProvenance_add_to_derivative(self, a0, a1, a2)
15022 def set_is_optimized(self, a0, a1):
15023 r"""set_is_optimized(SampleProvenance self, FloatKey a0, bool a1)"""
15024 return _IMP_core.SampleProvenance_set_is_optimized(self, a0, a1)
15026 def get_is_optimized(self, a0):
15027 r"""get_is_optimized(SampleProvenance self, FloatKey a0) -> bool"""
15028 return _IMP_core.SampleProvenance_get_is_optimized(self, a0)
15031 r"""get_check_level(SampleProvenance self) -> IMP::CheckLevel"""
15032 return _IMP_core.SampleProvenance_get_check_level(self)
15034 def __eq__(self, *args):
15036 __eq__(SampleProvenance self, SampleProvenance o) -> bool
15037 __eq__(SampleProvenance self, Particle d) -> bool
15039 return _IMP_core.SampleProvenance___eq__(self, *args)
15041 def __ne__(self, *args):
15043 __ne__(SampleProvenance self, SampleProvenance o) -> bool
15044 __ne__(SampleProvenance self, Particle d) -> bool
15046 return _IMP_core.SampleProvenance___ne__(self, *args)
15048 def __le__(self, *args):
15050 __le__(SampleProvenance self, SampleProvenance o) -> bool
15051 __le__(SampleProvenance self, Particle d) -> bool
15053 return _IMP_core.SampleProvenance___le__(self, *args)
15055 def __lt__(self, *args):
15057 __lt__(SampleProvenance self, SampleProvenance o) -> bool
15058 __lt__(SampleProvenance self, Particle d) -> bool
15060 return _IMP_core.SampleProvenance___lt__(self, *args)
15062 def __ge__(self, *args):
15064 __ge__(SampleProvenance self, SampleProvenance o) -> bool
15065 __ge__(SampleProvenance self, Particle d) -> bool
15067 return _IMP_core.SampleProvenance___ge__(self, *args)
15069 def __gt__(self, *args):
15071 __gt__(SampleProvenance self, SampleProvenance o) -> bool
15072 __gt__(SampleProvenance self, Particle d) -> bool
15074 return _IMP_core.SampleProvenance___gt__(self, *args)
15076 def __hash__(self):
15077 r"""__hash__(SampleProvenance self) -> std::size_t"""
15078 return _IMP_core.SampleProvenance___hash__(self)
15081 r"""__str__(SampleProvenance self) -> std::string"""
15082 return _IMP_core.SampleProvenance___str__(self)
15084 def __repr__(self):
15085 r"""__repr__(SampleProvenance self) -> std::string"""
15086 return _IMP_core.SampleProvenance___repr__(self)
15088 def _get_as_binary(self):
15089 r"""_get_as_binary(SampleProvenance self) -> PyObject *"""
15090 return _IMP_core.SampleProvenance__get_as_binary(self)
15092 def _set_from_binary(self, p):
15093 r"""_set_from_binary(SampleProvenance self, PyObject * p)"""
15094 return _IMP_core.SampleProvenance__set_from_binary(self, p)
15096 def __getstate__(self):
15097 p = self._get_as_binary()
15098 if len(self.__dict__) > 1:
15099 d = self.__dict__.copy()
15104 def __setstate__(self, p):
15105 if not hasattr(self,
'this'):
15107 if isinstance(p, tuple):
15109 self.__dict__.update(d)
15110 return self._set_from_binary(p)
15112 __swig_destroy__ = _IMP_core.delete_SampleProvenance
15115 _IMP_core.SampleProvenance_swigregister(SampleProvenance)
15116 class CombineProvenance(Provenance):
15117 r"""Proxy of C++ IMP::core::CombineProvenance class."""
15119 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15121 def set_number_of_frames(self, frames):
15122 r"""set_number_of_frames(CombineProvenance self, int frames)"""
15123 return _IMP_core.CombineProvenance_set_number_of_frames(self, frames)
15126 r"""get_number_of_frames(CombineProvenance self) -> int"""
15127 return _IMP_core.CombineProvenance_get_number_of_frames(self)
15129 def set_number_of_runs(self, runs):
15130 r"""set_number_of_runs(CombineProvenance self, int runs)"""
15131 return _IMP_core.CombineProvenance_set_number_of_runs(self, runs)
15133 def get_number_of_runs(self):
15134 r"""get_number_of_runs(CombineProvenance self) -> int"""
15135 return _IMP_core.CombineProvenance_get_number_of_runs(self)
15137 def __init__(self, *args):
15139 __init__(CombineProvenance self) -> CombineProvenance
15140 __init__(CombineProvenance self, Model m, ParticleIndex id) -> CombineProvenance
15141 __init__(CombineProvenance self, _ParticleAdaptor d) -> CombineProvenance
15143 _IMP_core.CombineProvenance_swiginit(self, _IMP_core.new_CombineProvenance(*args))
15146 def get_is_setup(*args):
15148 get_is_setup(Model m, ParticleIndex pi) -> bool
15149 get_is_setup(_ParticleAdaptor p) -> bool
15151 return _IMP_core.CombineProvenance_get_is_setup(*args)
15153 def show(self, *args):
15154 r"""show(CombineProvenance self, _ostream out=std::cout)"""
15155 return _IMP_core.CombineProvenance_show(self, *args)
15158 def setup_particle(*args):
15160 setup_particle(Model m, ParticleIndex pi, int runs, int frames) -> CombineProvenance
15161 setup_particle(_ParticleAdaptor pa, int runs, int frames) -> CombineProvenance
15162 setup_particle(Model m, ParticleIndex pi, CombineProvenance o) -> CombineProvenance
15163 setup_particle(_ParticleAdaptor pa, CombineProvenance o) -> CombineProvenance
15165 return _IMP_core.CombineProvenance_setup_particle(*args)
15167 def add_attribute(self, *args):
15169 add_attribute(CombineProvenance self, FloatKey k, IMP::Float v, bool opt)
15170 add_attribute(CombineProvenance self, FloatKey a0, IMP::Float a1)
15171 add_attribute(CombineProvenance self, IntKey a0, IMP::Int a1)
15172 add_attribute(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
15173 add_attribute(CombineProvenance self, IntsKey a0, IMP::Ints a1)
15174 add_attribute(CombineProvenance self, StringKey a0, IMP::String a1)
15175 add_attribute(CombineProvenance self, ParticleIndexKey a0, Particle a1)
15176 add_attribute(CombineProvenance self, ObjectKey a0, Object a1)
15177 add_attribute(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
15178 add_attribute(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
15179 add_attribute(CombineProvenance self, SparseStringKey a0, IMP::String a1)
15180 add_attribute(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15182 return _IMP_core.CombineProvenance_add_attribute(self, *args)
15184 def get_value(self, *args):
15186 get_value(CombineProvenance self, FloatKey a0) -> IMP::Float
15187 get_value(CombineProvenance self, IntKey a0) -> IMP::Int
15188 get_value(CombineProvenance self, FloatsKey a0) -> IMP::Floats
15189 get_value(CombineProvenance self, IntsKey a0) -> IMP::Ints
15190 get_value(CombineProvenance self, StringKey a0) -> IMP::String
15191 get_value(CombineProvenance self, ParticleIndexKey a0) -> Particle
15192 get_value(CombineProvenance self, ObjectKey a0) -> Object
15193 get_value(CombineProvenance self, SparseFloatKey a0) -> IMP::Float
15194 get_value(CombineProvenance self, SparseIntKey a0) -> IMP::Int
15195 get_value(CombineProvenance self, SparseStringKey a0) -> IMP::String
15196 get_value(CombineProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15198 return _IMP_core.CombineProvenance_get_value(self, *args)
15200 def set_value(self, *args):
15202 set_value(CombineProvenance self, FloatKey a0, IMP::Float a1)
15203 set_value(CombineProvenance self, IntKey a0, IMP::Int a1)
15204 set_value(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
15205 set_value(CombineProvenance self, IntsKey a0, IMP::Ints a1)
15206 set_value(CombineProvenance self, StringKey a0, IMP::String a1)
15207 set_value(CombineProvenance self, ParticleIndexKey a0, Particle a1)
15208 set_value(CombineProvenance self, ObjectKey a0, Object a1)
15209 set_value(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
15210 set_value(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
15211 set_value(CombineProvenance self, SparseStringKey a0, IMP::String a1)
15212 set_value(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15214 return _IMP_core.CombineProvenance_set_value(self, *args)
15216 def remove_attribute(self, *args):
15218 remove_attribute(CombineProvenance self, FloatKey a0)
15219 remove_attribute(CombineProvenance self, IntKey a0)
15220 remove_attribute(CombineProvenance self, FloatsKey a0)
15221 remove_attribute(CombineProvenance self, IntsKey a0)
15222 remove_attribute(CombineProvenance self, StringKey a0)
15223 remove_attribute(CombineProvenance self, ParticleIndexKey a0)
15224 remove_attribute(CombineProvenance self, ObjectKey a0)
15225 remove_attribute(CombineProvenance self, SparseFloatKey a0)
15226 remove_attribute(CombineProvenance self, SparseIntKey a0)
15227 remove_attribute(CombineProvenance self, SparseStringKey a0)
15228 remove_attribute(CombineProvenance self, SparseParticleIndexKey a0)
15230 return _IMP_core.CombineProvenance_remove_attribute(self, *args)
15232 def has_attribute(self, *args):
15234 has_attribute(CombineProvenance self, FloatKey a0) -> bool
15235 has_attribute(CombineProvenance self, IntKey a0) -> bool
15236 has_attribute(CombineProvenance self, FloatsKey a0) -> bool
15237 has_attribute(CombineProvenance self, IntsKey a0) -> bool
15238 has_attribute(CombineProvenance self, StringKey a0) -> bool
15239 has_attribute(CombineProvenance self, ParticleIndexKey a0) -> bool
15240 has_attribute(CombineProvenance self, ObjectKey a0) -> bool
15241 has_attribute(CombineProvenance self, SparseFloatKey a0) -> bool
15242 has_attribute(CombineProvenance self, SparseIntKey a0) -> bool
15243 has_attribute(CombineProvenance self, SparseStringKey a0) -> bool
15244 has_attribute(CombineProvenance self, SparseParticleIndexKey a0) -> bool
15246 return _IMP_core.CombineProvenance_has_attribute(self, *args)
15248 def get_derivative(self, a0):
15249 r"""get_derivative(CombineProvenance self, FloatKey a0) -> double"""
15250 return _IMP_core.CombineProvenance_get_derivative(self, a0)
15252 def get_name(self):
15253 r"""get_name(CombineProvenance self) -> std::string"""
15254 return _IMP_core.CombineProvenance_get_name(self)
15256 def clear_caches(self):
15257 r"""clear_caches(CombineProvenance self)"""
15258 return _IMP_core.CombineProvenance_clear_caches(self)
15260 def set_name(self, a0):
15261 r"""set_name(CombineProvenance self, std::string a0)"""
15262 return _IMP_core.CombineProvenance_set_name(self, a0)
15265 r"""set_check_level(CombineProvenance self, IMP::CheckLevel a0)"""
15266 return _IMP_core.CombineProvenance_set_check_level(self, a0)
15268 def add_to_derivative(self, a0, a1, a2):
15269 r"""add_to_derivative(CombineProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15270 return _IMP_core.CombineProvenance_add_to_derivative(self, a0, a1, a2)
15272 def set_is_optimized(self, a0, a1):
15273 r"""set_is_optimized(CombineProvenance self, FloatKey a0, bool a1)"""
15274 return _IMP_core.CombineProvenance_set_is_optimized(self, a0, a1)
15276 def get_is_optimized(self, a0):
15277 r"""get_is_optimized(CombineProvenance self, FloatKey a0) -> bool"""
15278 return _IMP_core.CombineProvenance_get_is_optimized(self, a0)
15281 r"""get_check_level(CombineProvenance self) -> IMP::CheckLevel"""
15282 return _IMP_core.CombineProvenance_get_check_level(self)
15284 def __eq__(self, *args):
15286 __eq__(CombineProvenance self, CombineProvenance o) -> bool
15287 __eq__(CombineProvenance self, Particle d) -> bool
15289 return _IMP_core.CombineProvenance___eq__(self, *args)
15291 def __ne__(self, *args):
15293 __ne__(CombineProvenance self, CombineProvenance o) -> bool
15294 __ne__(CombineProvenance self, Particle d) -> bool
15296 return _IMP_core.CombineProvenance___ne__(self, *args)
15298 def __le__(self, *args):
15300 __le__(CombineProvenance self, CombineProvenance o) -> bool
15301 __le__(CombineProvenance self, Particle d) -> bool
15303 return _IMP_core.CombineProvenance___le__(self, *args)
15305 def __lt__(self, *args):
15307 __lt__(CombineProvenance self, CombineProvenance o) -> bool
15308 __lt__(CombineProvenance self, Particle d) -> bool
15310 return _IMP_core.CombineProvenance___lt__(self, *args)
15312 def __ge__(self, *args):
15314 __ge__(CombineProvenance self, CombineProvenance o) -> bool
15315 __ge__(CombineProvenance self, Particle d) -> bool
15317 return _IMP_core.CombineProvenance___ge__(self, *args)
15319 def __gt__(self, *args):
15321 __gt__(CombineProvenance self, CombineProvenance o) -> bool
15322 __gt__(CombineProvenance self, Particle d) -> bool
15324 return _IMP_core.CombineProvenance___gt__(self, *args)
15326 def __hash__(self):
15327 r"""__hash__(CombineProvenance self) -> std::size_t"""
15328 return _IMP_core.CombineProvenance___hash__(self)
15331 r"""__str__(CombineProvenance self) -> std::string"""
15332 return _IMP_core.CombineProvenance___str__(self)
15334 def __repr__(self):
15335 r"""__repr__(CombineProvenance self) -> std::string"""
15336 return _IMP_core.CombineProvenance___repr__(self)
15338 def _get_as_binary(self):
15339 r"""_get_as_binary(CombineProvenance self) -> PyObject *"""
15340 return _IMP_core.CombineProvenance__get_as_binary(self)
15342 def _set_from_binary(self, p):
15343 r"""_set_from_binary(CombineProvenance self, PyObject * p)"""
15344 return _IMP_core.CombineProvenance__set_from_binary(self, p)
15346 def __getstate__(self):
15347 p = self._get_as_binary()
15348 if len(self.__dict__) > 1:
15349 d = self.__dict__.copy()
15354 def __setstate__(self, p):
15355 if not hasattr(self,
'this'):
15357 if isinstance(p, tuple):
15359 self.__dict__.update(d)
15360 return self._set_from_binary(p)
15362 __swig_destroy__ = _IMP_core.delete_CombineProvenance
15365 _IMP_core.CombineProvenance_swigregister(CombineProvenance)
15366 class FilterProvenance(Provenance):
15367 r"""Proxy of C++ IMP::core::FilterProvenance class."""
15369 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15371 def set_method(self, method):
15372 r"""set_method(FilterProvenance self, std::string method)"""
15373 return _IMP_core.FilterProvenance_set_method(self, method)
15375 def get_method(self):
15376 r"""get_method(FilterProvenance self) -> std::string"""
15377 return _IMP_core.FilterProvenance_get_method(self)
15379 def set_number_of_frames(self, frames):
15380 r"""set_number_of_frames(FilterProvenance self, int frames)"""
15381 return _IMP_core.FilterProvenance_set_number_of_frames(self, frames)
15384 r"""get_number_of_frames(FilterProvenance self) -> int"""
15385 return _IMP_core.FilterProvenance_get_number_of_frames(self)
15387 def set_threshold(self, threshold):
15388 r"""set_threshold(FilterProvenance self, double threshold)"""
15389 return _IMP_core.FilterProvenance_set_threshold(self, threshold)
15391 def get_threshold(self):
15392 r"""get_threshold(FilterProvenance self) -> double"""
15393 return _IMP_core.FilterProvenance_get_threshold(self)
15395 def __init__(self, *args):
15397 __init__(FilterProvenance self) -> FilterProvenance
15398 __init__(FilterProvenance self, Model m, ParticleIndex id) -> FilterProvenance
15399 __init__(FilterProvenance self, _ParticleAdaptor d) -> FilterProvenance
15401 _IMP_core.FilterProvenance_swiginit(self, _IMP_core.new_FilterProvenance(*args))
15404 def get_is_setup(*args):
15406 get_is_setup(Model m, ParticleIndex pi) -> bool
15407 get_is_setup(_ParticleAdaptor p) -> bool
15409 return _IMP_core.FilterProvenance_get_is_setup(*args)
15411 def show(self, *args):
15412 r"""show(FilterProvenance self, _ostream out=std::cout)"""
15413 return _IMP_core.FilterProvenance_show(self, *args)
15416 def setup_particle(*args):
15418 setup_particle(Model m, ParticleIndex pi, std::string method, double threshold, int frames) -> FilterProvenance
15419 setup_particle(_ParticleAdaptor pa, std::string method, double threshold, int frames) -> FilterProvenance
15420 setup_particle(Model m, ParticleIndex pi, FilterProvenance o) -> FilterProvenance
15421 setup_particle(_ParticleAdaptor pa, FilterProvenance o) -> FilterProvenance
15423 return _IMP_core.FilterProvenance_setup_particle(*args)
15425 def add_attribute(self, *args):
15427 add_attribute(FilterProvenance self, FloatKey k, IMP::Float v, bool opt)
15428 add_attribute(FilterProvenance self, FloatKey a0, IMP::Float a1)
15429 add_attribute(FilterProvenance self, IntKey a0, IMP::Int a1)
15430 add_attribute(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
15431 add_attribute(FilterProvenance self, IntsKey a0, IMP::Ints a1)
15432 add_attribute(FilterProvenance self, StringKey a0, IMP::String a1)
15433 add_attribute(FilterProvenance self, ParticleIndexKey a0, Particle a1)
15434 add_attribute(FilterProvenance self, ObjectKey a0, Object a1)
15435 add_attribute(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
15436 add_attribute(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
15437 add_attribute(FilterProvenance self, SparseStringKey a0, IMP::String a1)
15438 add_attribute(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15440 return _IMP_core.FilterProvenance_add_attribute(self, *args)
15442 def get_value(self, *args):
15444 get_value(FilterProvenance self, FloatKey a0) -> IMP::Float
15445 get_value(FilterProvenance self, IntKey a0) -> IMP::Int
15446 get_value(FilterProvenance self, FloatsKey a0) -> IMP::Floats
15447 get_value(FilterProvenance self, IntsKey a0) -> IMP::Ints
15448 get_value(FilterProvenance self, StringKey a0) -> IMP::String
15449 get_value(FilterProvenance self, ParticleIndexKey a0) -> Particle
15450 get_value(FilterProvenance self, ObjectKey a0) -> Object
15451 get_value(FilterProvenance self, SparseFloatKey a0) -> IMP::Float
15452 get_value(FilterProvenance self, SparseIntKey a0) -> IMP::Int
15453 get_value(FilterProvenance self, SparseStringKey a0) -> IMP::String
15454 get_value(FilterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15456 return _IMP_core.FilterProvenance_get_value(self, *args)
15458 def set_value(self, *args):
15460 set_value(FilterProvenance self, FloatKey a0, IMP::Float a1)
15461 set_value(FilterProvenance self, IntKey a0, IMP::Int a1)
15462 set_value(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
15463 set_value(FilterProvenance self, IntsKey a0, IMP::Ints a1)
15464 set_value(FilterProvenance self, StringKey a0, IMP::String a1)
15465 set_value(FilterProvenance self, ParticleIndexKey a0, Particle a1)
15466 set_value(FilterProvenance self, ObjectKey a0, Object a1)
15467 set_value(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
15468 set_value(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
15469 set_value(FilterProvenance self, SparseStringKey a0, IMP::String a1)
15470 set_value(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15472 return _IMP_core.FilterProvenance_set_value(self, *args)
15474 def remove_attribute(self, *args):
15476 remove_attribute(FilterProvenance self, FloatKey a0)
15477 remove_attribute(FilterProvenance self, IntKey a0)
15478 remove_attribute(FilterProvenance self, FloatsKey a0)
15479 remove_attribute(FilterProvenance self, IntsKey a0)
15480 remove_attribute(FilterProvenance self, StringKey a0)
15481 remove_attribute(FilterProvenance self, ParticleIndexKey a0)
15482 remove_attribute(FilterProvenance self, ObjectKey a0)
15483 remove_attribute(FilterProvenance self, SparseFloatKey a0)
15484 remove_attribute(FilterProvenance self, SparseIntKey a0)
15485 remove_attribute(FilterProvenance self, SparseStringKey a0)
15486 remove_attribute(FilterProvenance self, SparseParticleIndexKey a0)
15488 return _IMP_core.FilterProvenance_remove_attribute(self, *args)
15490 def has_attribute(self, *args):
15492 has_attribute(FilterProvenance self, FloatKey a0) -> bool
15493 has_attribute(FilterProvenance self, IntKey a0) -> bool
15494 has_attribute(FilterProvenance self, FloatsKey a0) -> bool
15495 has_attribute(FilterProvenance self, IntsKey a0) -> bool
15496 has_attribute(FilterProvenance self, StringKey a0) -> bool
15497 has_attribute(FilterProvenance self, ParticleIndexKey a0) -> bool
15498 has_attribute(FilterProvenance self, ObjectKey a0) -> bool
15499 has_attribute(FilterProvenance self, SparseFloatKey a0) -> bool
15500 has_attribute(FilterProvenance self, SparseIntKey a0) -> bool
15501 has_attribute(FilterProvenance self, SparseStringKey a0) -> bool
15502 has_attribute(FilterProvenance self, SparseParticleIndexKey a0) -> bool
15504 return _IMP_core.FilterProvenance_has_attribute(self, *args)
15506 def get_derivative(self, a0):
15507 r"""get_derivative(FilterProvenance self, FloatKey a0) -> double"""
15508 return _IMP_core.FilterProvenance_get_derivative(self, a0)
15510 def get_name(self):
15511 r"""get_name(FilterProvenance self) -> std::string"""
15512 return _IMP_core.FilterProvenance_get_name(self)
15514 def clear_caches(self):
15515 r"""clear_caches(FilterProvenance self)"""
15516 return _IMP_core.FilterProvenance_clear_caches(self)
15518 def set_name(self, a0):
15519 r"""set_name(FilterProvenance self, std::string a0)"""
15520 return _IMP_core.FilterProvenance_set_name(self, a0)
15523 r"""set_check_level(FilterProvenance self, IMP::CheckLevel a0)"""
15524 return _IMP_core.FilterProvenance_set_check_level(self, a0)
15526 def add_to_derivative(self, a0, a1, a2):
15527 r"""add_to_derivative(FilterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15528 return _IMP_core.FilterProvenance_add_to_derivative(self, a0, a1, a2)
15530 def set_is_optimized(self, a0, a1):
15531 r"""set_is_optimized(FilterProvenance self, FloatKey a0, bool a1)"""
15532 return _IMP_core.FilterProvenance_set_is_optimized(self, a0, a1)
15534 def get_is_optimized(self, a0):
15535 r"""get_is_optimized(FilterProvenance self, FloatKey a0) -> bool"""
15536 return _IMP_core.FilterProvenance_get_is_optimized(self, a0)
15539 r"""get_check_level(FilterProvenance self) -> IMP::CheckLevel"""
15540 return _IMP_core.FilterProvenance_get_check_level(self)
15542 def __eq__(self, *args):
15544 __eq__(FilterProvenance self, FilterProvenance o) -> bool
15545 __eq__(FilterProvenance self, Particle d) -> bool
15547 return _IMP_core.FilterProvenance___eq__(self, *args)
15549 def __ne__(self, *args):
15551 __ne__(FilterProvenance self, FilterProvenance o) -> bool
15552 __ne__(FilterProvenance self, Particle d) -> bool
15554 return _IMP_core.FilterProvenance___ne__(self, *args)
15556 def __le__(self, *args):
15558 __le__(FilterProvenance self, FilterProvenance o) -> bool
15559 __le__(FilterProvenance self, Particle d) -> bool
15561 return _IMP_core.FilterProvenance___le__(self, *args)
15563 def __lt__(self, *args):
15565 __lt__(FilterProvenance self, FilterProvenance o) -> bool
15566 __lt__(FilterProvenance self, Particle d) -> bool
15568 return _IMP_core.FilterProvenance___lt__(self, *args)
15570 def __ge__(self, *args):
15572 __ge__(FilterProvenance self, FilterProvenance o) -> bool
15573 __ge__(FilterProvenance self, Particle d) -> bool
15575 return _IMP_core.FilterProvenance___ge__(self, *args)
15577 def __gt__(self, *args):
15579 __gt__(FilterProvenance self, FilterProvenance o) -> bool
15580 __gt__(FilterProvenance self, Particle d) -> bool
15582 return _IMP_core.FilterProvenance___gt__(self, *args)
15584 def __hash__(self):
15585 r"""__hash__(FilterProvenance self) -> std::size_t"""
15586 return _IMP_core.FilterProvenance___hash__(self)
15589 r"""__str__(FilterProvenance self) -> std::string"""
15590 return _IMP_core.FilterProvenance___str__(self)
15592 def __repr__(self):
15593 r"""__repr__(FilterProvenance self) -> std::string"""
15594 return _IMP_core.FilterProvenance___repr__(self)
15596 def _get_as_binary(self):
15597 r"""_get_as_binary(FilterProvenance self) -> PyObject *"""
15598 return _IMP_core.FilterProvenance__get_as_binary(self)
15600 def _set_from_binary(self, p):
15601 r"""_set_from_binary(FilterProvenance self, PyObject * p)"""
15602 return _IMP_core.FilterProvenance__set_from_binary(self, p)
15604 def __getstate__(self):
15605 p = self._get_as_binary()
15606 if len(self.__dict__) > 1:
15607 d = self.__dict__.copy()
15612 def __setstate__(self, p):
15613 if not hasattr(self,
'this'):
15615 if isinstance(p, tuple):
15617 self.__dict__.update(d)
15618 return self._set_from_binary(p)
15620 __swig_destroy__ = _IMP_core.delete_FilterProvenance
15623 _IMP_core.FilterProvenance_swigregister(FilterProvenance)
15624 class ClusterProvenance(Provenance):
15625 r"""Proxy of C++ IMP::core::ClusterProvenance class."""
15627 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15629 def set_number_of_members(self, members):
15630 r"""set_number_of_members(ClusterProvenance self, int members)"""
15631 return _IMP_core.ClusterProvenance_set_number_of_members(self, members)
15633 def get_number_of_members(self):
15634 r"""get_number_of_members(ClusterProvenance self) -> int"""
15635 return _IMP_core.ClusterProvenance_get_number_of_members(self)
15637 def set_precision(self, precision):
15638 r"""set_precision(ClusterProvenance self, double precision)"""
15639 return _IMP_core.ClusterProvenance_set_precision(self, precision)
15641 def get_precision(self):
15642 r"""get_precision(ClusterProvenance self) -> double"""
15643 return _IMP_core.ClusterProvenance_get_precision(self)
15645 def set_density(self, density):
15646 r"""set_density(ClusterProvenance self, std::string density)"""
15647 return _IMP_core.ClusterProvenance_set_density(self, density)
15649 def get_density(self):
15650 r"""get_density(ClusterProvenance self) -> std::string"""
15651 return _IMP_core.ClusterProvenance_get_density(self)
15653 def __init__(self, *args):
15655 __init__(ClusterProvenance self) -> ClusterProvenance
15656 __init__(ClusterProvenance self, Model m, ParticleIndex id) -> ClusterProvenance
15657 __init__(ClusterProvenance self, _ParticleAdaptor d) -> ClusterProvenance
15659 _IMP_core.ClusterProvenance_swiginit(self, _IMP_core.new_ClusterProvenance(*args))
15662 def get_is_setup(*args):
15664 get_is_setup(Model m, ParticleIndex pi) -> bool
15665 get_is_setup(_ParticleAdaptor p) -> bool
15667 return _IMP_core.ClusterProvenance_get_is_setup(*args)
15669 def show(self, *args):
15670 r"""show(ClusterProvenance self, _ostream out=std::cout)"""
15671 return _IMP_core.ClusterProvenance_show(self, *args)
15674 def setup_particle(*args):
15676 setup_particle(Model m, ParticleIndex pi, int members) -> ClusterProvenance
15677 setup_particle(_ParticleAdaptor pa, int members) -> ClusterProvenance
15678 setup_particle(Model m, ParticleIndex pi, int members, double precision) -> ClusterProvenance
15679 setup_particle(_ParticleAdaptor pa, int members, double precision) -> ClusterProvenance
15680 setup_particle(Model m, ParticleIndex pi, int members, double precision, std::string density) -> ClusterProvenance
15681 setup_particle(_ParticleAdaptor pa, int members, double precision, std::string density) -> ClusterProvenance
15682 setup_particle(Model m, ParticleIndex pi, ClusterProvenance o) -> ClusterProvenance
15683 setup_particle(_ParticleAdaptor pa, ClusterProvenance o) -> ClusterProvenance
15685 return _IMP_core.ClusterProvenance_setup_particle(*args)
15687 def add_attribute(self, *args):
15689 add_attribute(ClusterProvenance self, FloatKey k, IMP::Float v, bool opt)
15690 add_attribute(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15691 add_attribute(ClusterProvenance self, IntKey a0, IMP::Int a1)
15692 add_attribute(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15693 add_attribute(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15694 add_attribute(ClusterProvenance self, StringKey a0, IMP::String a1)
15695 add_attribute(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15696 add_attribute(ClusterProvenance self, ObjectKey a0, Object a1)
15697 add_attribute(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15698 add_attribute(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15699 add_attribute(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15700 add_attribute(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15702 return _IMP_core.ClusterProvenance_add_attribute(self, *args)
15704 def get_value(self, *args):
15706 get_value(ClusterProvenance self, FloatKey a0) -> IMP::Float
15707 get_value(ClusterProvenance self, IntKey a0) -> IMP::Int
15708 get_value(ClusterProvenance self, FloatsKey a0) -> IMP::Floats
15709 get_value(ClusterProvenance self, IntsKey a0) -> IMP::Ints
15710 get_value(ClusterProvenance self, StringKey a0) -> IMP::String
15711 get_value(ClusterProvenance self, ParticleIndexKey a0) -> Particle
15712 get_value(ClusterProvenance self, ObjectKey a0) -> Object
15713 get_value(ClusterProvenance self, SparseFloatKey a0) -> IMP::Float
15714 get_value(ClusterProvenance self, SparseIntKey a0) -> IMP::Int
15715 get_value(ClusterProvenance self, SparseStringKey a0) -> IMP::String
15716 get_value(ClusterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15718 return _IMP_core.ClusterProvenance_get_value(self, *args)
15720 def set_value(self, *args):
15722 set_value(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15723 set_value(ClusterProvenance self, IntKey a0, IMP::Int a1)
15724 set_value(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15725 set_value(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15726 set_value(ClusterProvenance self, StringKey a0, IMP::String a1)
15727 set_value(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15728 set_value(ClusterProvenance self, ObjectKey a0, Object a1)
15729 set_value(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15730 set_value(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15731 set_value(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15732 set_value(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15734 return _IMP_core.ClusterProvenance_set_value(self, *args)
15736 def remove_attribute(self, *args):
15738 remove_attribute(ClusterProvenance self, FloatKey a0)
15739 remove_attribute(ClusterProvenance self, IntKey a0)
15740 remove_attribute(ClusterProvenance self, FloatsKey a0)
15741 remove_attribute(ClusterProvenance self, IntsKey a0)
15742 remove_attribute(ClusterProvenance self, StringKey a0)
15743 remove_attribute(ClusterProvenance self, ParticleIndexKey a0)
15744 remove_attribute(ClusterProvenance self, ObjectKey a0)
15745 remove_attribute(ClusterProvenance self, SparseFloatKey a0)
15746 remove_attribute(ClusterProvenance self, SparseIntKey a0)
15747 remove_attribute(ClusterProvenance self, SparseStringKey a0)
15748 remove_attribute(ClusterProvenance self, SparseParticleIndexKey a0)
15750 return _IMP_core.ClusterProvenance_remove_attribute(self, *args)
15752 def has_attribute(self, *args):
15754 has_attribute(ClusterProvenance self, FloatKey a0) -> bool
15755 has_attribute(ClusterProvenance self, IntKey a0) -> bool
15756 has_attribute(ClusterProvenance self, FloatsKey a0) -> bool
15757 has_attribute(ClusterProvenance self, IntsKey a0) -> bool
15758 has_attribute(ClusterProvenance self, StringKey a0) -> bool
15759 has_attribute(ClusterProvenance self, ParticleIndexKey a0) -> bool
15760 has_attribute(ClusterProvenance self, ObjectKey a0) -> bool
15761 has_attribute(ClusterProvenance self, SparseFloatKey a0) -> bool
15762 has_attribute(ClusterProvenance self, SparseIntKey a0) -> bool
15763 has_attribute(ClusterProvenance self, SparseStringKey a0) -> bool
15764 has_attribute(ClusterProvenance self, SparseParticleIndexKey a0) -> bool
15766 return _IMP_core.ClusterProvenance_has_attribute(self, *args)
15768 def get_derivative(self, a0):
15769 r"""get_derivative(ClusterProvenance self, FloatKey a0) -> double"""
15770 return _IMP_core.ClusterProvenance_get_derivative(self, a0)
15772 def get_name(self):
15773 r"""get_name(ClusterProvenance self) -> std::string"""
15774 return _IMP_core.ClusterProvenance_get_name(self)
15776 def clear_caches(self):
15777 r"""clear_caches(ClusterProvenance self)"""
15778 return _IMP_core.ClusterProvenance_clear_caches(self)
15780 def set_name(self, a0):
15781 r"""set_name(ClusterProvenance self, std::string a0)"""
15782 return _IMP_core.ClusterProvenance_set_name(self, a0)
15785 r"""set_check_level(ClusterProvenance self, IMP::CheckLevel a0)"""
15786 return _IMP_core.ClusterProvenance_set_check_level(self, a0)
15788 def add_to_derivative(self, a0, a1, a2):
15789 r"""add_to_derivative(ClusterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15790 return _IMP_core.ClusterProvenance_add_to_derivative(self, a0, a1, a2)
15792 def set_is_optimized(self, a0, a1):
15793 r"""set_is_optimized(ClusterProvenance self, FloatKey a0, bool a1)"""
15794 return _IMP_core.ClusterProvenance_set_is_optimized(self, a0, a1)
15796 def get_is_optimized(self, a0):
15797 r"""get_is_optimized(ClusterProvenance self, FloatKey a0) -> bool"""
15798 return _IMP_core.ClusterProvenance_get_is_optimized(self, a0)
15801 r"""get_check_level(ClusterProvenance self) -> IMP::CheckLevel"""
15802 return _IMP_core.ClusterProvenance_get_check_level(self)
15804 def __eq__(self, *args):
15806 __eq__(ClusterProvenance self, ClusterProvenance o) -> bool
15807 __eq__(ClusterProvenance self, Particle d) -> bool
15809 return _IMP_core.ClusterProvenance___eq__(self, *args)
15811 def __ne__(self, *args):
15813 __ne__(ClusterProvenance self, ClusterProvenance o) -> bool
15814 __ne__(ClusterProvenance self, Particle d) -> bool
15816 return _IMP_core.ClusterProvenance___ne__(self, *args)
15818 def __le__(self, *args):
15820 __le__(ClusterProvenance self, ClusterProvenance o) -> bool
15821 __le__(ClusterProvenance self, Particle d) -> bool
15823 return _IMP_core.ClusterProvenance___le__(self, *args)
15825 def __lt__(self, *args):
15827 __lt__(ClusterProvenance self, ClusterProvenance o) -> bool
15828 __lt__(ClusterProvenance self, Particle d) -> bool
15830 return _IMP_core.ClusterProvenance___lt__(self, *args)
15832 def __ge__(self, *args):
15834 __ge__(ClusterProvenance self, ClusterProvenance o) -> bool
15835 __ge__(ClusterProvenance self, Particle d) -> bool
15837 return _IMP_core.ClusterProvenance___ge__(self, *args)
15839 def __gt__(self, *args):
15841 __gt__(ClusterProvenance self, ClusterProvenance o) -> bool
15842 __gt__(ClusterProvenance self, Particle d) -> bool
15844 return _IMP_core.ClusterProvenance___gt__(self, *args)
15846 def __hash__(self):
15847 r"""__hash__(ClusterProvenance self) -> std::size_t"""
15848 return _IMP_core.ClusterProvenance___hash__(self)
15851 r"""__str__(ClusterProvenance self) -> std::string"""
15852 return _IMP_core.ClusterProvenance___str__(self)
15854 def __repr__(self):
15855 r"""__repr__(ClusterProvenance self) -> std::string"""
15856 return _IMP_core.ClusterProvenance___repr__(self)
15858 def _get_as_binary(self):
15859 r"""_get_as_binary(ClusterProvenance self) -> PyObject *"""
15860 return _IMP_core.ClusterProvenance__get_as_binary(self)
15862 def _set_from_binary(self, p):
15863 r"""_set_from_binary(ClusterProvenance self, PyObject * p)"""
15864 return _IMP_core.ClusterProvenance__set_from_binary(self, p)
15866 def __getstate__(self):
15867 p = self._get_as_binary()
15868 if len(self.__dict__) > 1:
15869 d = self.__dict__.copy()
15874 def __setstate__(self, p):
15875 if not hasattr(self,
'this'):
15877 if isinstance(p, tuple):
15879 self.__dict__.update(d)
15880 return self._set_from_binary(p)
15882 __swig_destroy__ = _IMP_core.delete_ClusterProvenance
15885 _IMP_core.ClusterProvenance_swigregister(ClusterProvenance)
15886 class ScriptProvenance(Provenance):
15887 r"""Proxy of C++ IMP::core::ScriptProvenance class."""
15889 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15891 def set_filename(self, filename):
15892 r"""set_filename(ScriptProvenance self, std::string filename)"""
15893 return _IMP_core.ScriptProvenance_set_filename(self, filename)
15895 def get_filename(self):
15896 r"""get_filename(ScriptProvenance self) -> std::string"""
15897 return _IMP_core.ScriptProvenance_get_filename(self)
15899 def __init__(self, *args):
15901 __init__(ScriptProvenance self) -> ScriptProvenance
15902 __init__(ScriptProvenance self, Model m, ParticleIndex id) -> ScriptProvenance
15903 __init__(ScriptProvenance self, _ParticleAdaptor d) -> ScriptProvenance
15905 _IMP_core.ScriptProvenance_swiginit(self, _IMP_core.new_ScriptProvenance(*args))
15908 def get_is_setup(*args):
15910 get_is_setup(Model m, ParticleIndex pi) -> bool
15911 get_is_setup(_ParticleAdaptor p) -> bool
15913 return _IMP_core.ScriptProvenance_get_is_setup(*args)
15915 def show(self, *args):
15916 r"""show(ScriptProvenance self, _ostream out=std::cout)"""
15917 return _IMP_core.ScriptProvenance_show(self, *args)
15920 def setup_particle(*args):
15922 setup_particle(Model m, ParticleIndex pi, std::string filename) -> ScriptProvenance
15923 setup_particle(_ParticleAdaptor pa, std::string filename) -> ScriptProvenance
15924 setup_particle(Model m, ParticleIndex pi, ScriptProvenance o) -> ScriptProvenance
15925 setup_particle(_ParticleAdaptor pa, ScriptProvenance o) -> ScriptProvenance
15927 return _IMP_core.ScriptProvenance_setup_particle(*args)
15929 def add_attribute(self, *args):
15931 add_attribute(ScriptProvenance self, FloatKey k, IMP::Float v, bool opt)
15932 add_attribute(ScriptProvenance self, FloatKey a0, IMP::Float a1)
15933 add_attribute(ScriptProvenance self, IntKey a0, IMP::Int a1)
15934 add_attribute(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
15935 add_attribute(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
15936 add_attribute(ScriptProvenance self, StringKey a0, IMP::String a1)
15937 add_attribute(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
15938 add_attribute(ScriptProvenance self, ObjectKey a0, Object a1)
15939 add_attribute(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
15940 add_attribute(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
15941 add_attribute(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
15942 add_attribute(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15944 return _IMP_core.ScriptProvenance_add_attribute(self, *args)
15946 def get_value(self, *args):
15948 get_value(ScriptProvenance self, FloatKey a0) -> IMP::Float
15949 get_value(ScriptProvenance self, IntKey a0) -> IMP::Int
15950 get_value(ScriptProvenance self, FloatsKey a0) -> IMP::Floats
15951 get_value(ScriptProvenance self, IntsKey a0) -> IMP::Ints
15952 get_value(ScriptProvenance self, StringKey a0) -> IMP::String
15953 get_value(ScriptProvenance self, ParticleIndexKey a0) -> Particle
15954 get_value(ScriptProvenance self, ObjectKey a0) -> Object
15955 get_value(ScriptProvenance self, SparseFloatKey a0) -> IMP::Float
15956 get_value(ScriptProvenance self, SparseIntKey a0) -> IMP::Int
15957 get_value(ScriptProvenance self, SparseStringKey a0) -> IMP::String
15958 get_value(ScriptProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15960 return _IMP_core.ScriptProvenance_get_value(self, *args)
15962 def set_value(self, *args):
15964 set_value(ScriptProvenance self, FloatKey a0, IMP::Float a1)
15965 set_value(ScriptProvenance self, IntKey a0, IMP::Int a1)
15966 set_value(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
15967 set_value(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
15968 set_value(ScriptProvenance self, StringKey a0, IMP::String a1)
15969 set_value(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
15970 set_value(ScriptProvenance self, ObjectKey a0, Object a1)
15971 set_value(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
15972 set_value(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
15973 set_value(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
15974 set_value(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15976 return _IMP_core.ScriptProvenance_set_value(self, *args)
15978 def remove_attribute(self, *args):
15980 remove_attribute(ScriptProvenance self, FloatKey a0)
15981 remove_attribute(ScriptProvenance self, IntKey a0)
15982 remove_attribute(ScriptProvenance self, FloatsKey a0)
15983 remove_attribute(ScriptProvenance self, IntsKey a0)
15984 remove_attribute(ScriptProvenance self, StringKey a0)
15985 remove_attribute(ScriptProvenance self, ParticleIndexKey a0)
15986 remove_attribute(ScriptProvenance self, ObjectKey a0)
15987 remove_attribute(ScriptProvenance self, SparseFloatKey a0)
15988 remove_attribute(ScriptProvenance self, SparseIntKey a0)
15989 remove_attribute(ScriptProvenance self, SparseStringKey a0)
15990 remove_attribute(ScriptProvenance self, SparseParticleIndexKey a0)
15992 return _IMP_core.ScriptProvenance_remove_attribute(self, *args)
15994 def has_attribute(self, *args):
15996 has_attribute(ScriptProvenance self, FloatKey a0) -> bool
15997 has_attribute(ScriptProvenance self, IntKey a0) -> bool
15998 has_attribute(ScriptProvenance self, FloatsKey a0) -> bool
15999 has_attribute(ScriptProvenance self, IntsKey a0) -> bool
16000 has_attribute(ScriptProvenance self, StringKey a0) -> bool
16001 has_attribute(ScriptProvenance self, ParticleIndexKey a0) -> bool
16002 has_attribute(ScriptProvenance self, ObjectKey a0) -> bool
16003 has_attribute(ScriptProvenance self, SparseFloatKey a0) -> bool
16004 has_attribute(ScriptProvenance self, SparseIntKey a0) -> bool
16005 has_attribute(ScriptProvenance self, SparseStringKey a0) -> bool
16006 has_attribute(ScriptProvenance self, SparseParticleIndexKey a0) -> bool
16008 return _IMP_core.ScriptProvenance_has_attribute(self, *args)
16010 def get_derivative(self, a0):
16011 r"""get_derivative(ScriptProvenance self, FloatKey a0) -> double"""
16012 return _IMP_core.ScriptProvenance_get_derivative(self, a0)
16014 def get_name(self):
16015 r"""get_name(ScriptProvenance self) -> std::string"""
16016 return _IMP_core.ScriptProvenance_get_name(self)
16018 def clear_caches(self):
16019 r"""clear_caches(ScriptProvenance self)"""
16020 return _IMP_core.ScriptProvenance_clear_caches(self)
16022 def set_name(self, a0):
16023 r"""set_name(ScriptProvenance self, std::string a0)"""
16024 return _IMP_core.ScriptProvenance_set_name(self, a0)
16027 r"""set_check_level(ScriptProvenance self, IMP::CheckLevel a0)"""
16028 return _IMP_core.ScriptProvenance_set_check_level(self, a0)
16030 def add_to_derivative(self, a0, a1, a2):
16031 r"""add_to_derivative(ScriptProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16032 return _IMP_core.ScriptProvenance_add_to_derivative(self, a0, a1, a2)
16034 def set_is_optimized(self, a0, a1):
16035 r"""set_is_optimized(ScriptProvenance self, FloatKey a0, bool a1)"""
16036 return _IMP_core.ScriptProvenance_set_is_optimized(self, a0, a1)
16038 def get_is_optimized(self, a0):
16039 r"""get_is_optimized(ScriptProvenance self, FloatKey a0) -> bool"""
16040 return _IMP_core.ScriptProvenance_get_is_optimized(self, a0)
16043 r"""get_check_level(ScriptProvenance self) -> IMP::CheckLevel"""
16044 return _IMP_core.ScriptProvenance_get_check_level(self)
16046 def __eq__(self, *args):
16048 __eq__(ScriptProvenance self, ScriptProvenance o) -> bool
16049 __eq__(ScriptProvenance self, Particle d) -> bool
16051 return _IMP_core.ScriptProvenance___eq__(self, *args)
16053 def __ne__(self, *args):
16055 __ne__(ScriptProvenance self, ScriptProvenance o) -> bool
16056 __ne__(ScriptProvenance self, Particle d) -> bool
16058 return _IMP_core.ScriptProvenance___ne__(self, *args)
16060 def __le__(self, *args):
16062 __le__(ScriptProvenance self, ScriptProvenance o) -> bool
16063 __le__(ScriptProvenance self, Particle d) -> bool
16065 return _IMP_core.ScriptProvenance___le__(self, *args)
16067 def __lt__(self, *args):
16069 __lt__(ScriptProvenance self, ScriptProvenance o) -> bool
16070 __lt__(ScriptProvenance self, Particle d) -> bool
16072 return _IMP_core.ScriptProvenance___lt__(self, *args)
16074 def __ge__(self, *args):
16076 __ge__(ScriptProvenance self, ScriptProvenance o) -> bool
16077 __ge__(ScriptProvenance self, Particle d) -> bool
16079 return _IMP_core.ScriptProvenance___ge__(self, *args)
16081 def __gt__(self, *args):
16083 __gt__(ScriptProvenance self, ScriptProvenance o) -> bool
16084 __gt__(ScriptProvenance self, Particle d) -> bool
16086 return _IMP_core.ScriptProvenance___gt__(self, *args)
16088 def __hash__(self):
16089 r"""__hash__(ScriptProvenance self) -> std::size_t"""
16090 return _IMP_core.ScriptProvenance___hash__(self)
16093 r"""__str__(ScriptProvenance self) -> std::string"""
16094 return _IMP_core.ScriptProvenance___str__(self)
16096 def __repr__(self):
16097 r"""__repr__(ScriptProvenance self) -> std::string"""
16098 return _IMP_core.ScriptProvenance___repr__(self)
16100 def _get_as_binary(self):
16101 r"""_get_as_binary(ScriptProvenance self) -> PyObject *"""
16102 return _IMP_core.ScriptProvenance__get_as_binary(self)
16104 def _set_from_binary(self, p):
16105 r"""_set_from_binary(ScriptProvenance self, PyObject * p)"""
16106 return _IMP_core.ScriptProvenance__set_from_binary(self, p)
16108 def __getstate__(self):
16109 p = self._get_as_binary()
16110 if len(self.__dict__) > 1:
16111 d = self.__dict__.copy()
16116 def __setstate__(self, p):
16117 if not hasattr(self,
'this'):
16119 if isinstance(p, tuple):
16121 self.__dict__.update(d)
16122 return self._set_from_binary(p)
16124 __swig_destroy__ = _IMP_core.delete_ScriptProvenance
16127 _IMP_core.ScriptProvenance_swigregister(ScriptProvenance)
16128 class SoftwareProvenance(Provenance):
16129 r"""Proxy of C++ IMP::core::SoftwareProvenance class."""
16131 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16133 def set_software_name(self, name):
16134 r"""set_software_name(SoftwareProvenance self, std::string name)"""
16135 return _IMP_core.SoftwareProvenance_set_software_name(self, name)
16137 def get_software_name(self):
16138 r"""get_software_name(SoftwareProvenance self) -> std::string"""
16139 return _IMP_core.SoftwareProvenance_get_software_name(self)
16141 def set_version(self, version):
16142 r"""set_version(SoftwareProvenance self, std::string version)"""
16143 return _IMP_core.SoftwareProvenance_set_version(self, version)
16145 def get_version(self):
16146 r"""get_version(SoftwareProvenance self) -> std::string"""
16147 return _IMP_core.SoftwareProvenance_get_version(self)
16149 def set_location(self, location):
16150 r"""set_location(SoftwareProvenance self, std::string location)"""
16151 return _IMP_core.SoftwareProvenance_set_location(self, location)
16153 def get_location(self):
16154 r"""get_location(SoftwareProvenance self) -> std::string"""
16155 return _IMP_core.SoftwareProvenance_get_location(self)
16157 def __init__(self, *args):
16159 __init__(SoftwareProvenance self) -> SoftwareProvenance
16160 __init__(SoftwareProvenance self, Model m, ParticleIndex id) -> SoftwareProvenance
16161 __init__(SoftwareProvenance self, _ParticleAdaptor d) -> SoftwareProvenance
16163 _IMP_core.SoftwareProvenance_swiginit(self, _IMP_core.new_SoftwareProvenance(*args))
16166 def get_is_setup(*args):
16168 get_is_setup(Model m, ParticleIndex pi) -> bool
16169 get_is_setup(_ParticleAdaptor p) -> bool
16171 return _IMP_core.SoftwareProvenance_get_is_setup(*args)
16173 def show(self, *args):
16174 r"""show(SoftwareProvenance self, _ostream out=std::cout)"""
16175 return _IMP_core.SoftwareProvenance_show(self, *args)
16178 def setup_particle(*args):
16180 setup_particle(Model m, ParticleIndex pi, std::string name, std::string version, std::string location) -> SoftwareProvenance
16181 setup_particle(_ParticleAdaptor pa, std::string name, std::string version, std::string location) -> SoftwareProvenance
16182 setup_particle(Model m, ParticleIndex pi, SoftwareProvenance o) -> SoftwareProvenance
16183 setup_particle(_ParticleAdaptor pa, SoftwareProvenance o) -> SoftwareProvenance
16185 return _IMP_core.SoftwareProvenance_setup_particle(*args)
16187 def add_attribute(self, *args):
16189 add_attribute(SoftwareProvenance self, FloatKey k, IMP::Float v, bool opt)
16190 add_attribute(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
16191 add_attribute(SoftwareProvenance self, IntKey a0, IMP::Int a1)
16192 add_attribute(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
16193 add_attribute(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
16194 add_attribute(SoftwareProvenance self, StringKey a0, IMP::String a1)
16195 add_attribute(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
16196 add_attribute(SoftwareProvenance self, ObjectKey a0, Object a1)
16197 add_attribute(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
16198 add_attribute(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
16199 add_attribute(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
16200 add_attribute(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16202 return _IMP_core.SoftwareProvenance_add_attribute(self, *args)
16204 def get_value(self, *args):
16206 get_value(SoftwareProvenance self, FloatKey a0) -> IMP::Float
16207 get_value(SoftwareProvenance self, IntKey a0) -> IMP::Int
16208 get_value(SoftwareProvenance self, FloatsKey a0) -> IMP::Floats
16209 get_value(SoftwareProvenance self, IntsKey a0) -> IMP::Ints
16210 get_value(SoftwareProvenance self, StringKey a0) -> IMP::String
16211 get_value(SoftwareProvenance self, ParticleIndexKey a0) -> Particle
16212 get_value(SoftwareProvenance self, ObjectKey a0) -> Object
16213 get_value(SoftwareProvenance self, SparseFloatKey a0) -> IMP::Float
16214 get_value(SoftwareProvenance self, SparseIntKey a0) -> IMP::Int
16215 get_value(SoftwareProvenance self, SparseStringKey a0) -> IMP::String
16216 get_value(SoftwareProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
16218 return _IMP_core.SoftwareProvenance_get_value(self, *args)
16220 def set_value(self, *args):
16222 set_value(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
16223 set_value(SoftwareProvenance self, IntKey a0, IMP::Int a1)
16224 set_value(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
16225 set_value(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
16226 set_value(SoftwareProvenance self, StringKey a0, IMP::String a1)
16227 set_value(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
16228 set_value(SoftwareProvenance self, ObjectKey a0, Object a1)
16229 set_value(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
16230 set_value(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
16231 set_value(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
16232 set_value(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16234 return _IMP_core.SoftwareProvenance_set_value(self, *args)
16236 def remove_attribute(self, *args):
16238 remove_attribute(SoftwareProvenance self, FloatKey a0)
16239 remove_attribute(SoftwareProvenance self, IntKey a0)
16240 remove_attribute(SoftwareProvenance self, FloatsKey a0)
16241 remove_attribute(SoftwareProvenance self, IntsKey a0)
16242 remove_attribute(SoftwareProvenance self, StringKey a0)
16243 remove_attribute(SoftwareProvenance self, ParticleIndexKey a0)
16244 remove_attribute(SoftwareProvenance self, ObjectKey a0)
16245 remove_attribute(SoftwareProvenance self, SparseFloatKey a0)
16246 remove_attribute(SoftwareProvenance self, SparseIntKey a0)
16247 remove_attribute(SoftwareProvenance self, SparseStringKey a0)
16248 remove_attribute(SoftwareProvenance self, SparseParticleIndexKey a0)
16250 return _IMP_core.SoftwareProvenance_remove_attribute(self, *args)
16252 def has_attribute(self, *args):
16254 has_attribute(SoftwareProvenance self, FloatKey a0) -> bool
16255 has_attribute(SoftwareProvenance self, IntKey a0) -> bool
16256 has_attribute(SoftwareProvenance self, FloatsKey a0) -> bool
16257 has_attribute(SoftwareProvenance self, IntsKey a0) -> bool
16258 has_attribute(SoftwareProvenance self, StringKey a0) -> bool
16259 has_attribute(SoftwareProvenance self, ParticleIndexKey a0) -> bool
16260 has_attribute(SoftwareProvenance self, ObjectKey a0) -> bool
16261 has_attribute(SoftwareProvenance self, SparseFloatKey a0) -> bool
16262 has_attribute(SoftwareProvenance self, SparseIntKey a0) -> bool
16263 has_attribute(SoftwareProvenance self, SparseStringKey a0) -> bool
16264 has_attribute(SoftwareProvenance self, SparseParticleIndexKey a0) -> bool
16266 return _IMP_core.SoftwareProvenance_has_attribute(self, *args)
16268 def get_derivative(self, a0):
16269 r"""get_derivative(SoftwareProvenance self, FloatKey a0) -> double"""
16270 return _IMP_core.SoftwareProvenance_get_derivative(self, a0)
16272 def get_name(self):
16273 r"""get_name(SoftwareProvenance self) -> std::string"""
16274 return _IMP_core.SoftwareProvenance_get_name(self)
16276 def clear_caches(self):
16277 r"""clear_caches(SoftwareProvenance self)"""
16278 return _IMP_core.SoftwareProvenance_clear_caches(self)
16280 def set_name(self, a0):
16281 r"""set_name(SoftwareProvenance self, std::string a0)"""
16282 return _IMP_core.SoftwareProvenance_set_name(self, a0)
16285 r"""set_check_level(SoftwareProvenance self, IMP::CheckLevel a0)"""
16286 return _IMP_core.SoftwareProvenance_set_check_level(self, a0)
16288 def add_to_derivative(self, a0, a1, a2):
16289 r"""add_to_derivative(SoftwareProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16290 return _IMP_core.SoftwareProvenance_add_to_derivative(self, a0, a1, a2)
16292 def set_is_optimized(self, a0, a1):
16293 r"""set_is_optimized(SoftwareProvenance self, FloatKey a0, bool a1)"""
16294 return _IMP_core.SoftwareProvenance_set_is_optimized(self, a0, a1)
16296 def get_is_optimized(self, a0):
16297 r"""get_is_optimized(SoftwareProvenance self, FloatKey a0) -> bool"""
16298 return _IMP_core.SoftwareProvenance_get_is_optimized(self, a0)
16301 r"""get_check_level(SoftwareProvenance self) -> IMP::CheckLevel"""
16302 return _IMP_core.SoftwareProvenance_get_check_level(self)
16304 def __eq__(self, *args):
16306 __eq__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16307 __eq__(SoftwareProvenance self, Particle d) -> bool
16309 return _IMP_core.SoftwareProvenance___eq__(self, *args)
16311 def __ne__(self, *args):
16313 __ne__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16314 __ne__(SoftwareProvenance self, Particle d) -> bool
16316 return _IMP_core.SoftwareProvenance___ne__(self, *args)
16318 def __le__(self, *args):
16320 __le__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16321 __le__(SoftwareProvenance self, Particle d) -> bool
16323 return _IMP_core.SoftwareProvenance___le__(self, *args)
16325 def __lt__(self, *args):
16327 __lt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16328 __lt__(SoftwareProvenance self, Particle d) -> bool
16330 return _IMP_core.SoftwareProvenance___lt__(self, *args)
16332 def __ge__(self, *args):
16334 __ge__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16335 __ge__(SoftwareProvenance self, Particle d) -> bool
16337 return _IMP_core.SoftwareProvenance___ge__(self, *args)
16339 def __gt__(self, *args):
16341 __gt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16342 __gt__(SoftwareProvenance self, Particle d) -> bool
16344 return _IMP_core.SoftwareProvenance___gt__(self, *args)
16346 def __hash__(self):
16347 r"""__hash__(SoftwareProvenance self) -> std::size_t"""
16348 return _IMP_core.SoftwareProvenance___hash__(self)
16351 r"""__str__(SoftwareProvenance self) -> std::string"""
16352 return _IMP_core.SoftwareProvenance___str__(self)
16354 def __repr__(self):
16355 r"""__repr__(SoftwareProvenance self) -> std::string"""
16356 return _IMP_core.SoftwareProvenance___repr__(self)
16358 def _get_as_binary(self):
16359 r"""_get_as_binary(SoftwareProvenance self) -> PyObject *"""
16360 return _IMP_core.SoftwareProvenance__get_as_binary(self)
16362 def _set_from_binary(self, p):
16363 r"""_set_from_binary(SoftwareProvenance self, PyObject * p)"""
16364 return _IMP_core.SoftwareProvenance__set_from_binary(self, p)
16366 def __getstate__(self):
16367 p = self._get_as_binary()
16368 if len(self.__dict__) > 1:
16369 d = self.__dict__.copy()
16374 def __setstate__(self, p):
16375 if not hasattr(self,
'this'):
16377 if isinstance(p, tuple):
16379 self.__dict__.update(d)
16380 return self._set_from_binary(p)
16382 __swig_destroy__ = _IMP_core.delete_SoftwareProvenance
16385 _IMP_core.SoftwareProvenance_swigregister(SoftwareProvenance)
16387 r"""Proxy of C++ IMP::core::Provenanced class."""
16389 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16391 def get_provenance(self):
16392 r"""get_provenance(Provenanced self) -> Provenance"""
16393 return _IMP_core.Provenanced_get_provenance(self)
16395 def set_provenance(self, p):
16396 r"""set_provenance(Provenanced self, Provenance p)"""
16397 return _IMP_core.Provenanced_set_provenance(self, p)
16399 def __init__(self, *args):
16401 __init__(Provenanced self) -> Provenanced
16402 __init__(Provenanced self, Model m, ParticleIndex id) -> Provenanced
16403 __init__(Provenanced self, _ParticleAdaptor d) -> Provenanced
16405 _IMP_core.Provenanced_swiginit(self, _IMP_core.new_Provenanced(*args))
16408 def get_is_setup(*args):
16410 get_is_setup(Model m, ParticleIndex pi) -> bool
16411 get_is_setup(_ParticleAdaptor p) -> bool
16413 return _IMP_core.Provenanced_get_is_setup(*args)
16415 def show(self, *args):
16416 r"""show(Provenanced self, _ostream out=std::cout)"""
16417 return _IMP_core.Provenanced_show(self, *args)
16420 def setup_particle(*args):
16422 setup_particle(Model m, ParticleIndex pi, Provenance p) -> Provenanced
16423 setup_particle(_ParticleAdaptor pa, Provenance p) -> Provenanced
16425 return _IMP_core.Provenanced_setup_particle(*args)
16427 def add_attribute(self, *args):
16429 add_attribute(Provenanced self, FloatKey k, IMP::Float v, bool opt)
16430 add_attribute(Provenanced self, FloatKey a0, IMP::Float a1)
16431 add_attribute(Provenanced self, IntKey a0, IMP::Int a1)
16432 add_attribute(Provenanced self, FloatsKey a0, IMP::Floats a1)
16433 add_attribute(Provenanced self, IntsKey a0, IMP::Ints a1)
16434 add_attribute(Provenanced self, StringKey a0, IMP::String a1)
16435 add_attribute(Provenanced self, ParticleIndexKey a0, Particle a1)
16436 add_attribute(Provenanced self, ObjectKey a0, Object a1)
16437 add_attribute(Provenanced self, SparseFloatKey a0, IMP::Float a1)
16438 add_attribute(Provenanced self, SparseIntKey a0, IMP::Int a1)
16439 add_attribute(Provenanced self, SparseStringKey a0, IMP::String a1)
16440 add_attribute(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
16442 return _IMP_core.Provenanced_add_attribute(self, *args)
16444 def get_value(self, *args):
16446 get_value(Provenanced self, FloatKey a0) -> IMP::Float
16447 get_value(Provenanced self, IntKey a0) -> IMP::Int
16448 get_value(Provenanced self, FloatsKey a0) -> IMP::Floats
16449 get_value(Provenanced self, IntsKey a0) -> IMP::Ints
16450 get_value(Provenanced self, StringKey a0) -> IMP::String
16451 get_value(Provenanced self, ParticleIndexKey a0) -> Particle
16452 get_value(Provenanced self, ObjectKey a0) -> Object
16453 get_value(Provenanced self, SparseFloatKey a0) -> IMP::Float
16454 get_value(Provenanced self, SparseIntKey a0) -> IMP::Int
16455 get_value(Provenanced self, SparseStringKey a0) -> IMP::String
16456 get_value(Provenanced self, SparseParticleIndexKey a0) -> ParticleIndex
16458 return _IMP_core.Provenanced_get_value(self, *args)
16460 def set_value(self, *args):
16462 set_value(Provenanced self, FloatKey a0, IMP::Float a1)
16463 set_value(Provenanced self, IntKey a0, IMP::Int a1)
16464 set_value(Provenanced self, FloatsKey a0, IMP::Floats a1)
16465 set_value(Provenanced self, IntsKey a0, IMP::Ints a1)
16466 set_value(Provenanced self, StringKey a0, IMP::String a1)
16467 set_value(Provenanced self, ParticleIndexKey a0, Particle a1)
16468 set_value(Provenanced self, ObjectKey a0, Object a1)
16469 set_value(Provenanced self, SparseFloatKey a0, IMP::Float a1)
16470 set_value(Provenanced self, SparseIntKey a0, IMP::Int a1)
16471 set_value(Provenanced self, SparseStringKey a0, IMP::String a1)
16472 set_value(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
16474 return _IMP_core.Provenanced_set_value(self, *args)
16476 def remove_attribute(self, *args):
16478 remove_attribute(Provenanced self, FloatKey a0)
16479 remove_attribute(Provenanced self, IntKey a0)
16480 remove_attribute(Provenanced self, FloatsKey a0)
16481 remove_attribute(Provenanced self, IntsKey a0)
16482 remove_attribute(Provenanced self, StringKey a0)
16483 remove_attribute(Provenanced self, ParticleIndexKey a0)
16484 remove_attribute(Provenanced self, ObjectKey a0)
16485 remove_attribute(Provenanced self, SparseFloatKey a0)
16486 remove_attribute(Provenanced self, SparseIntKey a0)
16487 remove_attribute(Provenanced self, SparseStringKey a0)
16488 remove_attribute(Provenanced self, SparseParticleIndexKey a0)
16490 return _IMP_core.Provenanced_remove_attribute(self, *args)
16492 def has_attribute(self, *args):
16494 has_attribute(Provenanced self, FloatKey a0) -> bool
16495 has_attribute(Provenanced self, IntKey a0) -> bool
16496 has_attribute(Provenanced self, FloatsKey a0) -> bool
16497 has_attribute(Provenanced self, IntsKey a0) -> bool
16498 has_attribute(Provenanced self, StringKey a0) -> bool
16499 has_attribute(Provenanced self, ParticleIndexKey a0) -> bool
16500 has_attribute(Provenanced self, ObjectKey a0) -> bool
16501 has_attribute(Provenanced self, SparseFloatKey a0) -> bool
16502 has_attribute(Provenanced self, SparseIntKey a0) -> bool
16503 has_attribute(Provenanced self, SparseStringKey a0) -> bool
16504 has_attribute(Provenanced self, SparseParticleIndexKey a0) -> bool
16506 return _IMP_core.Provenanced_has_attribute(self, *args)
16508 def get_derivative(self, a0):
16509 r"""get_derivative(Provenanced self, FloatKey a0) -> double"""
16510 return _IMP_core.Provenanced_get_derivative(self, a0)
16512 def get_name(self):
16513 r"""get_name(Provenanced self) -> std::string"""
16514 return _IMP_core.Provenanced_get_name(self)
16516 def clear_caches(self):
16517 r"""clear_caches(Provenanced self)"""
16518 return _IMP_core.Provenanced_clear_caches(self)
16520 def set_name(self, a0):
16521 r"""set_name(Provenanced self, std::string a0)"""
16522 return _IMP_core.Provenanced_set_name(self, a0)
16525 r"""set_check_level(Provenanced self, IMP::CheckLevel a0)"""
16526 return _IMP_core.Provenanced_set_check_level(self, a0)
16528 def add_to_derivative(self, a0, a1, a2):
16529 r"""add_to_derivative(Provenanced self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16530 return _IMP_core.Provenanced_add_to_derivative(self, a0, a1, a2)
16532 def set_is_optimized(self, a0, a1):
16533 r"""set_is_optimized(Provenanced self, FloatKey a0, bool a1)"""
16534 return _IMP_core.Provenanced_set_is_optimized(self, a0, a1)
16536 def get_is_optimized(self, a0):
16537 r"""get_is_optimized(Provenanced self, FloatKey a0) -> bool"""
16538 return _IMP_core.Provenanced_get_is_optimized(self, a0)
16541 r"""get_check_level(Provenanced self) -> IMP::CheckLevel"""
16542 return _IMP_core.Provenanced_get_check_level(self)
16544 def __eq__(self, *args):
16546 __eq__(Provenanced self, Provenanced o) -> bool
16547 __eq__(Provenanced self, Particle d) -> bool
16549 return _IMP_core.Provenanced___eq__(self, *args)
16551 def __ne__(self, *args):
16553 __ne__(Provenanced self, Provenanced o) -> bool
16554 __ne__(Provenanced self, Particle d) -> bool
16556 return _IMP_core.Provenanced___ne__(self, *args)
16558 def __le__(self, *args):
16560 __le__(Provenanced self, Provenanced o) -> bool
16561 __le__(Provenanced self, Particle d) -> bool
16563 return _IMP_core.Provenanced___le__(self, *args)
16565 def __lt__(self, *args):
16567 __lt__(Provenanced self, Provenanced o) -> bool
16568 __lt__(Provenanced self, Particle d) -> bool
16570 return _IMP_core.Provenanced___lt__(self, *args)
16572 def __ge__(self, *args):
16574 __ge__(Provenanced self, Provenanced o) -> bool
16575 __ge__(Provenanced self, Particle d) -> bool
16577 return _IMP_core.Provenanced___ge__(self, *args)
16579 def __gt__(self, *args):
16581 __gt__(Provenanced self, Provenanced o) -> bool
16582 __gt__(Provenanced self, Particle d) -> bool
16584 return _IMP_core.Provenanced___gt__(self, *args)
16586 def __hash__(self):
16587 r"""__hash__(Provenanced self) -> std::size_t"""
16588 return _IMP_core.Provenanced___hash__(self)
16591 r"""__str__(Provenanced self) -> std::string"""
16592 return _IMP_core.Provenanced___str__(self)
16594 def __repr__(self):
16595 r"""__repr__(Provenanced self) -> std::string"""
16596 return _IMP_core.Provenanced___repr__(self)
16598 def _get_as_binary(self):
16599 r"""_get_as_binary(Provenanced self) -> PyObject *"""
16600 return _IMP_core.Provenanced__get_as_binary(self)
16602 def _set_from_binary(self, p):
16603 r"""_set_from_binary(Provenanced self, PyObject * p)"""
16604 return _IMP_core.Provenanced__set_from_binary(self, p)
16606 def __getstate__(self):
16607 p = self._get_as_binary()
16608 if len(self.__dict__) > 1:
16609 d = self.__dict__.copy()
16614 def __setstate__(self, p):
16615 if not hasattr(self,
'this'):
16617 if isinstance(p, tuple):
16619 self.__dict__.update(d)
16620 return self._set_from_binary(p)
16622 __swig_destroy__ = _IMP_core.delete_Provenanced
16625 _IMP_core.Provenanced_swigregister(Provenanced)
16628 r"""add_provenance(Model m, ParticleIndex pi, Provenance p)"""
16629 return _IMP_core.add_provenance(m, pi, p)
16632 r"""create_clone(Provenance p) -> Provenance"""
16633 return _IMP_core.create_clone(p)
16637 get_transformation_aligning_first_to_second(IMP::ParticlesTemp const & a, IMP::ParticlesTemp const & b) -> Transformation3D
16638 get_transformation_aligning_first_to_second(IMP::ParticlesTemp const & a, IMP::Vector< IMP::VectorD< 3 >,std::allocator< IMP::VectorD< 3 > > > const & b) -> Transformation3D
16639 get_transformation_aligning_first_to_second(IMP::Vector< IMP::VectorD< 3 >,std::allocator< IMP::VectorD< 3 > > > const & a, IMP::ParticlesTemp const & b) -> Transformation3D
16641 return _IMP_core.get_transformation_aligning_first_to_second(*args)
16644 r"""create_restraint(PairScore ps, IMP::ParticlePair pp) -> Restraint"""
16645 return _IMP_core.create_restraint(ps, pp)
16647 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::LOWER > class."""
16649 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16651 def __init__(self, *args):
16653 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicLowerBound
16654 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicLowerBound
16656 _IMP_core.TruncatedHarmonicLowerBound_swiginit(self, _IMP_core.new_TruncatedHarmonicLowerBound(*args))
16658 def get_version_info(self):
16659 r"""get_version_info(TruncatedHarmonicLowerBound self) -> VersionInfo"""
16660 return _IMP_core.TruncatedHarmonicLowerBound_get_version_info(self)
16661 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicLowerBound
16664 r"""__str__(TruncatedHarmonicLowerBound self) -> std::string"""
16665 return _IMP_core.TruncatedHarmonicLowerBound___str__(self)
16667 def __repr__(self):
16668 r"""__repr__(TruncatedHarmonicLowerBound self) -> std::string"""
16669 return _IMP_core.TruncatedHarmonicLowerBound___repr__(self)
16673 return _object_cast_to_TruncatedHarmonic(o)
16677 _IMP_core.TruncatedHarmonicLowerBound_swigregister(TruncatedHarmonicLowerBound)
16679 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::UPPER > class."""
16681 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16683 def __init__(self, *args):
16685 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicUpperBound
16686 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicUpperBound
16688 _IMP_core.TruncatedHarmonicUpperBound_swiginit(self, _IMP_core.new_TruncatedHarmonicUpperBound(*args))
16690 def get_version_info(self):
16691 r"""get_version_info(TruncatedHarmonicUpperBound self) -> VersionInfo"""
16692 return _IMP_core.TruncatedHarmonicUpperBound_get_version_info(self)
16693 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicUpperBound
16696 r"""__str__(TruncatedHarmonicUpperBound self) -> std::string"""
16697 return _IMP_core.TruncatedHarmonicUpperBound___str__(self)
16699 def __repr__(self):
16700 r"""__repr__(TruncatedHarmonicUpperBound self) -> std::string"""
16701 return _IMP_core.TruncatedHarmonicUpperBound___repr__(self)
16705 return _object_cast_to_TruncatedHarmonic(o)
16709 _IMP_core.TruncatedHarmonicUpperBound_swigregister(TruncatedHarmonicUpperBound)
16711 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::BOTH > class."""
16713 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16715 def __init__(self, *args):
16717 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicBound
16718 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicBound
16720 _IMP_core.TruncatedHarmonicBound_swiginit(self, _IMP_core.new_TruncatedHarmonicBound(*args))
16722 def get_version_info(self):
16723 r"""get_version_info(TruncatedHarmonicBound self) -> VersionInfo"""
16724 return _IMP_core.TruncatedHarmonicBound_get_version_info(self)
16725 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicBound
16728 r"""__str__(TruncatedHarmonicBound self) -> std::string"""
16729 return _IMP_core.TruncatedHarmonicBound___str__(self)
16731 def __repr__(self):
16732 r"""__repr__(TruncatedHarmonicBound self) -> std::string"""
16733 return _IMP_core.TruncatedHarmonicBound___repr__(self)
16737 return _object_cast_to_TruncatedHarmonic(o)
16741 _IMP_core.TruncatedHarmonicBound_swigregister(TruncatedHarmonicBound)
16743 r"""Proxy of C++ IMP::Key< 34897493 > class."""
16745 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16747 def __init__(self, *args):
16749 __init__(ParticleType self) -> ParticleType
16750 __init__(ParticleType self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleType
16751 __init__(ParticleType self, unsigned int i) -> ParticleType
16753 _IMP_core.ParticleType_swiginit(self, _IMP_core.new_ParticleType(*args))
16757 r"""add_key(std::string sc) -> unsigned int"""
16758 return _IMP_core.ParticleType_add_key(sc)
16761 def get_key_exists(sc):
16762 r"""get_key_exists(std::string sc) -> bool"""
16763 return _IMP_core.ParticleType_get_key_exists(sc)
16765 def get_string(self):
16766 r"""get_string(ParticleType self) -> std::string const"""
16767 return _IMP_core.ParticleType_get_string(self)
16769 def __cmp__(self, o):
16770 r"""__cmp__(ParticleType self, ParticleType o) -> int"""
16771 return _IMP_core.ParticleType___cmp__(self, o)
16773 def __eq__(self, o):
16774 r"""__eq__(ParticleType self, ParticleType o) -> bool"""
16775 return _IMP_core.ParticleType___eq__(self, o)
16777 def __ne__(self, o):
16778 r"""__ne__(ParticleType self, ParticleType o) -> bool"""
16779 return _IMP_core.ParticleType___ne__(self, o)
16781 def __lt__(self, o):
16782 r"""__lt__(ParticleType self, ParticleType o) -> bool"""
16783 return _IMP_core.ParticleType___lt__(self, o)
16785 def __gt__(self, o):
16786 r"""__gt__(ParticleType self, ParticleType o) -> bool"""
16787 return _IMP_core.ParticleType___gt__(self, o)
16789 def __ge__(self, o):
16790 r"""__ge__(ParticleType self, ParticleType o) -> bool"""
16791 return _IMP_core.ParticleType___ge__(self, o)
16793 def __le__(self, o):
16794 r"""__le__(ParticleType self, ParticleType o) -> bool"""
16795 return _IMP_core.ParticleType___le__(self, o)
16797 def __hash__(self):
16798 r"""__hash__(ParticleType self) -> std::size_t"""
16799 return _IMP_core.ParticleType___hash__(self)
16801 def show(self, *args):
16802 r"""show(ParticleType self, _ostream out=std::cout)"""
16803 return _IMP_core.ParticleType_show(self, *args)
16806 def add_alias(old_key, new_name):
16807 r"""add_alias(ParticleType old_key, std::string new_name) -> ParticleType"""
16808 return _IMP_core.ParticleType_add_alias(old_key, new_name)
16811 def get_number_of_keys():
16812 r"""get_number_of_keys() -> unsigned int"""
16813 return _IMP_core.ParticleType_get_number_of_keys()
16816 r"""get_index(ParticleType self) -> unsigned int"""
16817 return _IMP_core.ParticleType_get_index(self)
16821 r"""show_all(_ostream out)"""
16822 return _IMP_core.ParticleType_show_all(out)
16825 def get_all_strings():
16826 r"""get_all_strings() -> IMP::Vector< std::string >"""
16827 return _IMP_core.ParticleType_get_all_strings()
16830 def get_number_unique():
16831 r"""get_number_unique() -> unsigned int"""
16832 return _IMP_core.ParticleType_get_number_unique()
16835 r"""__str__(ParticleType self) -> std::string"""
16836 return _IMP_core.ParticleType___str__(self)
16838 def __repr__(self):
16839 r"""__repr__(ParticleType self) -> std::string"""
16840 return _IMP_core.ParticleType___repr__(self)
16841 __swig_destroy__ = _IMP_core.delete_ParticleType
16844 _IMP_core.ParticleType_swigregister(ParticleType)
16846 r"""Proxy of C++ IMP::core::GenericAttributeSingletonScore< UnaryFunction > class."""
16848 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16849 __repr__ = _swig_repr
16851 def __init__(self, f, k):
16852 r"""__init__(AttributeSingletonScore self, UnaryFunction f, FloatKey k) -> AttributeSingletonScore"""
16853 _IMP_core.AttributeSingletonScore_swiginit(self, _IMP_core.new_AttributeSingletonScore(f, k))
16855 def do_get_inputs(self, m, pis):
16856 r"""do_get_inputs(AttributeSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16857 return _IMP_core.AttributeSingletonScore_do_get_inputs(self, m, pis)
16859 def get_unary_function(self):
16860 r"""get_unary_function(AttributeSingletonScore self) -> UnaryFunction"""
16861 return _IMP_core.AttributeSingletonScore_get_unary_function(self)
16864 r"""get_key(AttributeSingletonScore self) -> FloatKey"""
16865 return _IMP_core.AttributeSingletonScore_get_key(self)
16867 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16868 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"""
16869 return _IMP_core.AttributeSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16871 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16872 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"""
16873 return _IMP_core.AttributeSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16875 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16876 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"""
16877 return _IMP_core.AttributeSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16879 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16880 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"""
16881 return _IMP_core.AttributeSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16883 def get_version_info(self):
16884 r"""get_version_info(AttributeSingletonScore self) -> VersionInfo"""
16885 return _IMP_core.AttributeSingletonScore_get_version_info(self)
16886 __swig_destroy__ = _IMP_core.delete_AttributeSingletonScore
16890 return _object_cast_to_AttributeSingletonScore(o)
16893 def _get_jax(self, m, indexes):
16894 def score_float_key(jm, key, uf):
16895 return uf(jm[key][indexes])
16897 def score_xyz_key(jm, xyz_index, uf):
16898 return uf(jm[
'xyz'][indexes, xyz_index])
16900 uf = self.get_unary_function().get_derived_object()._get_jax()
16901 key = self.get_key()
16904 if key.get_index() >= 7:
16906 f = functools.partial(score_float_key, key=key.get_string(), uf=uf)
16907 elif key == XYZR.get_radius_key():
16909 f = functools.partial(score_float_key, key=
'r', uf=uf)
16910 elif key
in XYZ.get_xyz_keys():
16912 xyz_index = XYZ.get_xyz_keys().index(key)
16913 f = functools.partial(score_xyz_key, xyz_index=xyz_index, uf=uf)
16915 raise NotImplementedError(
"No support for key %s" % key)
16916 return self._wrap_jax(m, f, keys=need_keys)
16920 _IMP_core.AttributeSingletonScore_swigregister(AttributeSingletonScore)
16923 r"""create_generic_attribute_singleton_score(UnaryFunction uf, FloatKey k) -> AttributeSingletonScore"""
16924 return _IMP_core.create_generic_attribute_singleton_score(uf, k)
16926 r"""Proxy of C++ IMP::core::GenericBoundingBox3DSingletonScore< UnaryFunction > class."""
16928 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16929 __repr__ = _swig_repr
16931 def __init__(self, f, bb):
16932 r"""__init__(BoundingBox3DSingletonScore self, UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
16933 _IMP_core.BoundingBox3DSingletonScore_swiginit(self, _IMP_core.new_BoundingBox3DSingletonScore(f, bb))
16935 def get_unary_function(self):
16936 r"""get_unary_function(BoundingBox3DSingletonScore self) -> UnaryFunction"""
16937 return _IMP_core.BoundingBox3DSingletonScore_get_unary_function(self)
16940 r"""get_bounding_box(BoundingBox3DSingletonScore self) -> BoundingBox3D"""
16941 return _IMP_core.BoundingBox3DSingletonScore_get_bounding_box(self)
16943 def do_get_inputs(self, m, pis):
16944 r"""do_get_inputs(BoundingBox3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16945 return _IMP_core.BoundingBox3DSingletonScore_do_get_inputs(self, m, pis)
16947 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16948 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"""
16949 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16951 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16952 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"""
16953 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16955 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16956 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"""
16957 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16959 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16960 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"""
16961 return _IMP_core.BoundingBox3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16963 def get_version_info(self):
16964 r"""get_version_info(BoundingBox3DSingletonScore self) -> VersionInfo"""
16965 return _IMP_core.BoundingBox3DSingletonScore_get_version_info(self)
16966 __swig_destroy__ = _IMP_core.delete_BoundingBox3DSingletonScore
16970 return _object_cast_to_BoundingBox3DSingletonScore(o)
16973 def _get_jax(self, m, indexes):
16974 import jax.numpy
as jnp
16975 def score(jm, box_min, box_max, uf):
16976 xyzs = jm[
'xyz'][indexes]
16983 drs = jnp.linalg.norm(
16984 xyzs - jnp.clip(xyzs, box_min, box_max), axis=1)
16986 uf = self.get_unary_function().get_derived_object()
16987 bb = self.get_bounding_box()
16988 f = functools.partial(score, box_min=jnp.asarray(bb.get_corner(0)),
16989 box_max=jnp.asarray(bb.get_corner(1)),
16991 return self._wrap_jax(m, f)
16995 _IMP_core.BoundingBox3DSingletonScore_swigregister(BoundingBox3DSingletonScore)
16997 def create_bounding_box_3d_singleton_score(f, bb):
16998 r"""create_bounding_box_3d_singleton_score(UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
16999 return _IMP_core.create_bounding_box_3d_singleton_score(f, bb)
17001 r"""Proxy of C++ IMP::core::GenericBoundingSphere3DSingletonScore< UnaryFunction > class."""
17003 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
17004 __repr__ = _swig_repr
17006 def __init__(self, f, sphere):
17007 r"""__init__(BoundingSphere3DSingletonScore self, UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
17008 _IMP_core.BoundingSphere3DSingletonScore_swiginit(self, _IMP_core.new_BoundingSphere3DSingletonScore(f, sphere))
17010 def do_get_inputs(self, m, pis):
17011 r"""do_get_inputs(BoundingSphere3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
17012 return _IMP_core.BoundingSphere3DSingletonScore_do_get_inputs(self, m, pis)
17014 def get_unary_function(self):
17015 r"""get_unary_function(BoundingSphere3DSingletonScore self) -> UnaryFunction"""
17016 return _IMP_core.BoundingSphere3DSingletonScore_get_unary_function(self)
17018 def get_sphere(self):
17019 r"""get_sphere(BoundingSphere3DSingletonScore self) -> Sphere3D"""
17020 return _IMP_core.BoundingSphere3DSingletonScore_get_sphere(self)
17022 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
17023 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"""
17024 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
17026 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
17027 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"""
17028 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
17030 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
17031 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"""
17032 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
17034 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
17035 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"""
17036 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
17038 def get_version_info(self):
17039 r"""get_version_info(BoundingSphere3DSingletonScore self) -> VersionInfo"""
17040 return _IMP_core.BoundingSphere3DSingletonScore_get_version_info(self)
17041 __swig_destroy__ = _IMP_core.delete_BoundingSphere3DSingletonScore
17045 return _object_cast_to_BoundingSphere3DSingletonScore(o)
17048 def _get_jax(self, m, indexes):
17049 import jax.numpy
as jnp
17051 def score_with_radius(jm, inds, center, radius):
17052 xyzs = jm[
'xyz'][inds]
17053 radii = jm[
'r'][inds]
17054 drs = jnp.linalg.norm(xyzs - center) + radii - radius
17055 return jax.lax.select(drs < 0.000001, jnp.zeros_like(drs), uf(drs))
17056 def score_without_radius(jm, inds, center, radius):
17057 xyzs = jm[
'xyz'][inds]
17058 drs = jnp.linalg.norm(xyzs - center) - radius
17059 return jax.lax.select(drs < 0.000001, jnp.zeros_like(drs), uf(drs))
17060 without_radii_inds = []
17061 with_radii_inds = []
17062 for ind
in indexes:
17063 if XYZR.get_is_setup(m, ind):
17064 with_radii_inds.append(ind)
17066 without_radii_inds.append(ind)
17067 without_radii_inds = jnp.asarray(without_radii_inds)
17068 with_radii_inds = jnp.asarray(with_radii_inds)
17069 uf = self.get_unary_function().get_derived_object()._get_jax()
17070 sphere = self.get_sphere()
17071 radius = sphere.get_radius()
17072 center = jnp.asarray(sphere.get_center())
17075 if without_radii_inds.size > 0:
17076 s += score_without_radius(jm, without_radii_inds,
17078 if with_radii_inds.size > 0:
17079 s += score_with_radius(jm, with_radii_inds, center, radius)
17081 return self._wrap_jax(m, score)
17085 _IMP_core.BoundingSphere3DSingletonScore_swigregister(BoundingSphere3DSingletonScore)
17087 def create_bounding_sphere_3d_singleton_score(f, sphere):
17088 r"""create_bounding_sphere_3d_singleton_score(UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
17089 return _IMP_core.create_bounding_sphere_3d_singleton_score(f, sphere)
17091 r"""Proxy of C++ IMP::core::GenericDistanceToSingletonScore< UnaryFunction > class."""
17093 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
17094 __repr__ = _swig_repr
17096 def __init__(self, *args):
17098 __init__(DistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore
17099 __init__(DistanceToSingletonScore self) -> DistanceToSingletonScore
17101 _IMP_core.DistanceToSingletonScore_swiginit(self, _IMP_core.new_DistanceToSingletonScore(*args))
17103 def do_get_inputs(self, m, pis):
17104 r"""do_get_inputs(DistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
17105 return _IMP_core.DistanceToSingletonScore_do_get_inputs(self, m, pis)
17107 def get_unary_function(self):
17108 r"""get_unary_function(DistanceToSingletonScore self) -> UnaryFunction"""
17109 return _IMP_core.DistanceToSingletonScore_get_unary_function(self)
17111 def get_point(self):
17112 r"""get_point(DistanceToSingletonScore self) -> Vector3D"""
17113 return _IMP_core.DistanceToSingletonScore_get_point(self)
17115 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
17116 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"""
17117 return _IMP_core.DistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
17119 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
17120 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"""
17121 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
17123 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
17124 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"""
17125 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
17127 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
17128 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"""
17129 return _IMP_core.DistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
17131 def get_version_info(self):
17132 r"""get_version_info(DistanceToSingletonScore self) -> VersionInfo"""
17133 return _IMP_core.DistanceToSingletonScore_get_version_info(self)
17134 __swig_destroy__ = _IMP_core.delete_DistanceToSingletonScore
17138 return _object_cast_to_DistanceToSingletonScore(o)
17141 def _get_as_binary(self):
17142 r"""_get_as_binary(DistanceToSingletonScore self) -> PyObject *"""
17143 return _IMP_core.DistanceToSingletonScore__get_as_binary(self)
17145 def _set_from_binary(self, p):
17146 r"""_set_from_binary(DistanceToSingletonScore self, PyObject * p)"""
17147 return _IMP_core.DistanceToSingletonScore__set_from_binary(self, p)
17149 def __getstate__(self):
17150 p = self._get_as_binary()
17151 if len(self.__dict__) > 1:
17152 d = self.__dict__.copy()
17157 def __setstate__(self, p):
17158 if not hasattr(self,
'this'):
17160 if isinstance(p, tuple):
17162 self.__dict__.update(d)
17163 return self._set_from_binary(p)
17166 def _get_jax(self, m, indexes):
17167 import jax.numpy
as jnp
17168 def score(jm, point, uf):
17169 xyzs = jm[
'xyz'][indexes]
17170 drs = jnp.linalg.norm(xyzs - point, axis=1)
17172 uf = self.get_unary_function().get_derived_object()
17173 f = functools.partial(score, point=jnp.array(self.get_point()),
17175 return self._wrap_jax(m, f)
17179 _IMP_core.DistanceToSingletonScore_swigregister(DistanceToSingletonScore)
17181 def create_distance_to_singleton_score(f, pt):
17182 r"""create_distance_to_singleton_score(UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore"""
17183 return _IMP_core.create_distance_to_singleton_score(f, pt)
17185 class SphereDistancePairScore(_SphereDistancePairScore.__bases__[0]):
17186 def __init__(self, uf):
17187 if isinstance(uf, HarmonicUpperBound):
17188 p = HarmonicUpperBoundSphereDistancePairScore(
17189 uf.get_mean(), uf.get_k())
17190 elif isinstance(uf, HarmonicLowerBound):
17191 if uf.get_mean() == 0.0:
17192 p = SoftSpherePairScore(uf.get_k())
17194 p = _SphereDistancePairScore(uf)
17195 elif isinstance(uf, Harmonic):
17196 p = HarmonicSphereDistancePairScore(
17197 uf.get_mean(), uf.get_k())
17199 p = _SphereDistancePairScore(uf)
17200 self.__dict__[
'_proxied'] = p
17201 def __getattr__(self, key):
17202 return getattr(self._proxied, key)
17203 def __setattr__(self, key, val):
17204 return setattr(self._proxied, key, val)
17206 def __getstate__(self):
17207 return self.__dict__[
'_proxied']
17209 def __setstate__(self, p):
17210 self.__dict__[
'_proxied'] = p
17212 def _get_jax(self, *args, **kwargs):
17213 return self._proxied._get_jax(*args, **kwargs)
17218 p = HarmonicUpperBoundSphereDistancePairScore.get_from(o)
17221 p = HarmonicSphereDistancePairScore.get_from(o)
17224 p = SoftSpherePairScore.get_from(o)
17226 p = _SphereDistancePairScore.get_from(o)
17227 obj = object.__new__(SphereDistancePairScore)
17228 obj.__dict__[
'_proxied'] = p
17234 CombineProvenance, FilterProvenance,
17235 ClusterProvenance, ScriptProvenance,
17236 SoftwareProvenance]):
17237 """Yield all provenance decorators of the given types for the particle.
17238 By default, all provenance types are returned. Provenance is returned
17239 in order, most recent first. If the particle has no provenance
17240 information, an empty generator is returned."""
17241 if Provenanced.get_is_setup(p):
17245 if c.get_is_setup(prov):
17247 prov = prov.get_previous()
17250 """Tag the given particle with the current Python script.
17251 This is a noop if the particle is already so tagged."""
17252 main = sys.modules[
'__main__']
17254 if not hasattr(main,
'__file__'):
17258 if prov.get_filename() == f:
17262 provp.set_name(
'script')
17263 prov = ScriptProvenance.setup_particle(provp, f)
17267 """Tag the given particle with the software used to create it.
17268 This is a noop if the particle is already so tagged."""
17270 if prov.get_software_name() == name
and prov.get_version() == version \
17271 and prov.get_location() == location:
17275 provp.set_name(
'software')
17276 prov = SoftwareProvenance.setup_particle(provp, name, version, location)
17280 """Tag the given particle as being created by the current version of IMP."""
17283 location=
"https://integrativemodeling.org")
17286 def get_module_name():
17287 r"""get_module_name() -> std::string const"""
17288 return _IMP_core.get_module_name()
17291 r"""get_module_version() -> std::string const"""
17292 return _IMP_core.get_module_version()
17295 r"""get_example_path(std::string fname) -> std::string"""
17296 return _IMP_core.get_example_path(fname)
17299 r"""get_data_path(std::string fname) -> std::string"""
17300 return _IMP_core.get_data_path(fname)
17302 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.