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 do_propose(self):
1820 r"""do_propose(MonteCarloMover self) -> MonteCarloMoverResult"""
1821 return _IMP_core.MonteCarloMover_do_propose(self)
1823 def do_reject(self):
1824 r"""do_reject(MonteCarloMover self)"""
1825 return _IMP_core.MonteCarloMover_do_reject(self)
1827 def do_accept(self):
1828 r"""do_accept(MonteCarloMover self)"""
1829 return _IMP_core.MonteCarloMover_do_accept(self)
1831 def do_get_outputs(self):
1832 r"""do_get_outputs(MonteCarloMover self) -> IMP::ModelObjectsTemp"""
1833 return _IMP_core.MonteCarloMover_do_get_outputs(self)
1836 r"""__str__(MonteCarloMover self) -> std::string"""
1837 return _IMP_core.MonteCarloMover___str__(self)
1840 r"""__repr__(MonteCarloMover self) -> std::string"""
1841 return _IMP_core.MonteCarloMover___repr__(self)
1845 return _object_cast_to_MonteCarloMover(o)
1848 def do_show(self, out):
1853 return _object_cast_to_MonteCarloMover(o)
1857 """Return a JAX implementation of this mover.
1858 Implement this method in a MonteCarloMover subclass to provide
1859 equivalent functionality using [JAX](https://docs.jax.dev/).
1860 See _wrap_jax for more information.
1862 raise NotImplementedError(f
"No JAX implementation for {self}")
1864 def _wrap_jax(self, init_func, propose_func):
1865 """Create the return value for _get_jax.
1866 Use this method in _get_jax() to wrap the JAX functions
1867 with other mover-specific information.
1869 @param init_func a JAX function which is used to initialize this
1870 mover. It is called with a single argument, a fresh JAX
1871 random key, and should return a persistent state object.
1872 This object may be the key itself, or any other Python object
1873 that JAX understands.
1874 @param propose_func a JAX function which is called with the current
1875 JAX Model and the mover's persistent state object.
1876 It should return a new JAX Model with the move applied,
1877 a new persistent state, and the proposal ratio. If the move
1878 is rejected then the new JAX Model will be discarded.
1879 However, the mover's persistent state is updated for both
1880 accepted and rejected moves.
1882 from IMP.core._jax_util
import JAXMoverInfo
1883 return JAXMoverInfo(init_func, propose_func)
1885 __swig_destroy__ = _IMP_core.delete_MonteCarloMover
1886 def __disown__(self):
1888 _IMP_core.disown_MonteCarloMover(self)
1889 return weakref.proxy(self)
1891 def do_destroy(self):
1892 r"""do_destroy(MonteCarloMover self)"""
1893 return _IMP_core.MonteCarloMover_do_destroy(self)
1895 def handle_set_has_required_score_states(self, arg0):
1896 r"""handle_set_has_required_score_states(MonteCarloMover self, bool arg0)"""
1897 return _IMP_core.MonteCarloMover_handle_set_has_required_score_states(self, arg0)
1899 def do_get_inputs(self):
1900 r"""do_get_inputs(MonteCarloMover self) -> IMP::ModelObjectsTemp"""
1901 return _IMP_core.MonteCarloMover_do_get_inputs(self)
1903 def do_get_interactions(self):
1904 r"""do_get_interactions(MonteCarloMover self) -> IMP::ModelObjectsTemps"""
1905 return _IMP_core.MonteCarloMover_do_get_interactions(self)
1908 _IMP_core.MonteCarloMover_swigregister(MonteCarloMover)
1910 r"""Proxy of C++ IMP::core::XYZ class."""
1912 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1915 def get_coordinate_key(i):
1916 r"""get_coordinate_key(unsigned int i) -> FloatKey"""
1917 return _IMP_core.XYZ_get_coordinate_key(i)
1919 def __init__(self, *args):
1921 __init__(XYZ self) -> XYZ
1922 __init__(XYZ self, Model m, ParticleIndex id) -> XYZ
1923 __init__(XYZ self, _ParticleAdaptor d) -> XYZ
1925 _IMP_core.XYZ_swiginit(self, _IMP_core.new_XYZ(*args))
1927 def show(self, *args):
1928 r"""show(XYZ self, _ostream out=std::cout)"""
1929 return _IMP_core.XYZ_show(self, *args)
1932 def setup_particle(*args):
1934 setup_particle(Model m, ParticleIndex pi) -> XYZ
1935 setup_particle(_ParticleAdaptor pa) -> XYZ
1936 setup_particle(Model m, ParticleIndex pi, Vector3D v) -> XYZ
1937 setup_particle(_ParticleAdaptor pa, Vector3D v) -> XYZ
1939 return _IMP_core.XYZ_setup_particle(*args)
1942 r"""get_x(XYZ self) -> IMP::Float"""
1943 return _IMP_core.XYZ_get_x(self)
1946 r"""set_x(XYZ self, IMP::Float t)"""
1947 return _IMP_core.XYZ_set_x(self, t)
1950 r"""get_y(XYZ self) -> IMP::Float"""
1951 return _IMP_core.XYZ_get_y(self)
1954 r"""set_y(XYZ self, IMP::Float t)"""
1955 return _IMP_core.XYZ_set_y(self, t)
1958 r"""get_z(XYZ self) -> IMP::Float"""
1959 return _IMP_core.XYZ_get_z(self)
1962 r"""set_z(XYZ self, IMP::Float t)"""
1963 return _IMP_core.XYZ_set_z(self, t)
1965 def set_coordinate(self, i, v):
1966 r"""set_coordinate(XYZ self, unsigned int i, IMP::Float v)"""
1967 return _IMP_core.XYZ_set_coordinate(self, i, v)
1969 def set_coordinates(self, v):
1970 r"""set_coordinates(XYZ self, Vector3D v)"""
1971 return _IMP_core.XYZ_set_coordinates(self, v)
1973 def get_coordinate(self, i):
1974 r"""get_coordinate(XYZ self, int i) -> IMP::Float"""
1975 return _IMP_core.XYZ_get_coordinate(self, i)
1977 def add_to_derivatives(self, v, d):
1978 r"""add_to_derivatives(XYZ self, Vector3D v, DerivativeAccumulator d)"""
1979 return _IMP_core.XYZ_add_to_derivatives(self, v, d)
1981 def get_coordinates_are_optimized(self):
1982 r"""get_coordinates_are_optimized(XYZ self) -> bool"""
1983 return _IMP_core.XYZ_get_coordinates_are_optimized(self)
1985 def set_coordinates_are_optimized(self, tf):
1986 r"""set_coordinates_are_optimized(XYZ self, bool tf)"""
1987 return _IMP_core.XYZ_set_coordinates_are_optimized(self, tf)
1989 def get_vector_to(self, b):
1990 r"""get_vector_to(XYZ self, XYZ b) -> Vector3D"""
1991 return _IMP_core.XYZ_get_vector_to(self, b)
1993 def get_coordinates(self):
1994 r"""get_coordinates(XYZ self) -> Vector3D"""
1995 return _IMP_core.XYZ_get_coordinates(self)
1997 def get_derivatives(self):
1998 r"""get_derivatives(XYZ self) -> Vector3D"""
1999 return _IMP_core.XYZ_get_derivatives(self)
2002 def get_is_setup(*args):
2004 get_is_setup(_ParticleAdaptor p) -> bool
2005 get_is_setup(Model m, ParticleIndex pi) -> bool
2007 return _IMP_core.XYZ_get_is_setup(*args)
2011 r"""get_xyz_keys() -> IMP::FloatKeys const &"""
2012 return _IMP_core.XYZ_get_xyz_keys()
2014 def add_attribute(self, *args):
2016 add_attribute(XYZ self, FloatKey k, IMP::Float v, bool opt)
2017 add_attribute(XYZ self, FloatKey a0, IMP::Float a1)
2018 add_attribute(XYZ self, IntKey a0, IMP::Int a1)
2019 add_attribute(XYZ self, FloatsKey a0, IMP::Floats a1)
2020 add_attribute(XYZ self, IntsKey a0, IMP::Ints a1)
2021 add_attribute(XYZ self, StringKey a0, IMP::String a1)
2022 add_attribute(XYZ self, ParticleIndexKey a0, Particle a1)
2023 add_attribute(XYZ self, ObjectKey a0, Object a1)
2024 add_attribute(XYZ self, SparseFloatKey a0, IMP::Float a1)
2025 add_attribute(XYZ self, SparseIntKey a0, IMP::Int a1)
2026 add_attribute(XYZ self, SparseStringKey a0, IMP::String a1)
2027 add_attribute(XYZ self, SparseParticleIndexKey a0, ParticleIndex a1)
2029 return _IMP_core.XYZ_add_attribute(self, *args)
2031 def get_value(self, *args):
2033 get_value(XYZ self, FloatKey a0) -> IMP::Float
2034 get_value(XYZ self, IntKey a0) -> IMP::Int
2035 get_value(XYZ self, FloatsKey a0) -> IMP::Floats
2036 get_value(XYZ self, IntsKey a0) -> IMP::Ints
2037 get_value(XYZ self, StringKey a0) -> IMP::String
2038 get_value(XYZ self, ParticleIndexKey a0) -> Particle
2039 get_value(XYZ self, ObjectKey a0) -> Object
2040 get_value(XYZ self, SparseFloatKey a0) -> IMP::Float
2041 get_value(XYZ self, SparseIntKey a0) -> IMP::Int
2042 get_value(XYZ self, SparseStringKey a0) -> IMP::String
2043 get_value(XYZ self, SparseParticleIndexKey a0) -> ParticleIndex
2045 return _IMP_core.XYZ_get_value(self, *args)
2047 def set_value(self, *args):
2049 set_value(XYZ self, FloatKey a0, IMP::Float a1)
2050 set_value(XYZ self, IntKey a0, IMP::Int a1)
2051 set_value(XYZ self, FloatsKey a0, IMP::Floats a1)
2052 set_value(XYZ self, IntsKey a0, IMP::Ints a1)
2053 set_value(XYZ self, StringKey a0, IMP::String a1)
2054 set_value(XYZ self, ParticleIndexKey a0, Particle a1)
2055 set_value(XYZ self, ObjectKey a0, Object a1)
2056 set_value(XYZ self, SparseFloatKey a0, IMP::Float a1)
2057 set_value(XYZ self, SparseIntKey a0, IMP::Int a1)
2058 set_value(XYZ self, SparseStringKey a0, IMP::String a1)
2059 set_value(XYZ self, SparseParticleIndexKey a0, ParticleIndex a1)
2061 return _IMP_core.XYZ_set_value(self, *args)
2063 def remove_attribute(self, *args):
2065 remove_attribute(XYZ self, FloatKey a0)
2066 remove_attribute(XYZ self, IntKey a0)
2067 remove_attribute(XYZ self, FloatsKey a0)
2068 remove_attribute(XYZ self, IntsKey a0)
2069 remove_attribute(XYZ self, StringKey a0)
2070 remove_attribute(XYZ self, ParticleIndexKey a0)
2071 remove_attribute(XYZ self, ObjectKey a0)
2072 remove_attribute(XYZ self, SparseFloatKey a0)
2073 remove_attribute(XYZ self, SparseIntKey a0)
2074 remove_attribute(XYZ self, SparseStringKey a0)
2075 remove_attribute(XYZ self, SparseParticleIndexKey a0)
2077 return _IMP_core.XYZ_remove_attribute(self, *args)
2079 def has_attribute(self, *args):
2081 has_attribute(XYZ self, FloatKey a0) -> bool
2082 has_attribute(XYZ self, IntKey a0) -> bool
2083 has_attribute(XYZ self, FloatsKey a0) -> bool
2084 has_attribute(XYZ self, IntsKey a0) -> bool
2085 has_attribute(XYZ self, StringKey a0) -> bool
2086 has_attribute(XYZ self, ParticleIndexKey a0) -> bool
2087 has_attribute(XYZ self, ObjectKey a0) -> bool
2088 has_attribute(XYZ self, SparseFloatKey a0) -> bool
2089 has_attribute(XYZ self, SparseIntKey a0) -> bool
2090 has_attribute(XYZ self, SparseStringKey a0) -> bool
2091 has_attribute(XYZ self, SparseParticleIndexKey a0) -> bool
2093 return _IMP_core.XYZ_has_attribute(self, *args)
2095 def get_derivative(self, *args):
2097 get_derivative(XYZ self, int i) -> IMP::Float
2098 get_derivative(XYZ self, FloatKey a0) -> double
2100 return _IMP_core.XYZ_get_derivative(self, *args)
2103 r"""get_name(XYZ self) -> std::string"""
2104 return _IMP_core.XYZ_get_name(self)
2106 def clear_caches(self):
2107 r"""clear_caches(XYZ self)"""
2108 return _IMP_core.XYZ_clear_caches(self)
2110 def set_name(self, a0):
2111 r"""set_name(XYZ self, std::string a0)"""
2112 return _IMP_core.XYZ_set_name(self, a0)
2115 r"""set_check_level(XYZ self, IMP::CheckLevel a0)"""
2116 return _IMP_core.XYZ_set_check_level(self, a0)
2118 def add_to_derivative(self, *args):
2120 add_to_derivative(XYZ self, int i, IMP::Float v, DerivativeAccumulator d)
2121 add_to_derivative(XYZ self, FloatKey a0, double a1, DerivativeAccumulator a2)
2123 return _IMP_core.XYZ_add_to_derivative(self, *args)
2125 def set_is_optimized(self, a0, a1):
2126 r"""set_is_optimized(XYZ self, FloatKey a0, bool a1)"""
2127 return _IMP_core.XYZ_set_is_optimized(self, a0, a1)
2129 def get_is_optimized(self, a0):
2130 r"""get_is_optimized(XYZ self, FloatKey a0) -> bool"""
2131 return _IMP_core.XYZ_get_is_optimized(self, a0)
2134 r"""get_check_level(XYZ self) -> IMP::CheckLevel"""
2135 return _IMP_core.XYZ_get_check_level(self)
2137 def __eq__(self, *args):
2139 __eq__(XYZ self, XYZ o) -> bool
2140 __eq__(XYZ self, Particle d) -> bool
2142 return _IMP_core.XYZ___eq__(self, *args)
2144 def __ne__(self, *args):
2146 __ne__(XYZ self, XYZ o) -> bool
2147 __ne__(XYZ self, Particle d) -> bool
2149 return _IMP_core.XYZ___ne__(self, *args)
2151 def __le__(self, *args):
2153 __le__(XYZ self, XYZ o) -> bool
2154 __le__(XYZ self, Particle d) -> bool
2156 return _IMP_core.XYZ___le__(self, *args)
2158 def __lt__(self, *args):
2160 __lt__(XYZ self, XYZ o) -> bool
2161 __lt__(XYZ self, Particle d) -> bool
2163 return _IMP_core.XYZ___lt__(self, *args)
2165 def __ge__(self, *args):
2167 __ge__(XYZ self, XYZ o) -> bool
2168 __ge__(XYZ self, Particle d) -> bool
2170 return _IMP_core.XYZ___ge__(self, *args)
2172 def __gt__(self, *args):
2174 __gt__(XYZ self, XYZ o) -> bool
2175 __gt__(XYZ self, Particle d) -> bool
2177 return _IMP_core.XYZ___gt__(self, *args)
2180 r"""__hash__(XYZ self) -> std::size_t"""
2181 return _IMP_core.XYZ___hash__(self)
2184 r"""__str__(XYZ self) -> std::string"""
2185 return _IMP_core.XYZ___str__(self)
2188 r"""__repr__(XYZ self) -> std::string"""
2189 return _IMP_core.XYZ___repr__(self)
2191 def _get_as_binary(self):
2192 r"""_get_as_binary(XYZ self) -> PyObject *"""
2193 return _IMP_core.XYZ__get_as_binary(self)
2195 def _set_from_binary(self, p):
2196 r"""_set_from_binary(XYZ self, PyObject * p)"""
2197 return _IMP_core.XYZ__set_from_binary(self, p)
2199 def __getstate__(self):
2200 p = self._get_as_binary()
2201 if len(self.__dict__) > 1:
2202 d = self.__dict__.copy()
2207 def __setstate__(self, p):
2208 if not hasattr(self,
'this'):
2210 if isinstance(p, tuple):
2212 self.__dict__.update(d)
2213 return self._set_from_binary(p)
2215 __swig_destroy__ = _IMP_core.delete_XYZ
2218 _IMP_core.XYZ_swigregister(XYZ)
2221 r"""set_vector_geometry(XYZ d, Vector3D v)"""
2222 return _IMP_core.set_vector_geometry(d, v)
2225 r"""get_vector_geometry(XYZ d) -> Vector3D"""
2226 return _IMP_core.get_vector_geometry(d)
2229 r"""get_dihedral(XYZ a, XYZ b, XYZ c, XYZ d) -> double"""
2230 return _IMP_core.get_dihedral(a, b, c, d)
2232 r"""Proxy of C++ IMP::core::XYZR class."""
2234 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2236 def __init__(self, *args):
2238 __init__(XYZR self) -> XYZR
2239 __init__(XYZR self, Model m, ParticleIndex id) -> XYZR
2240 __init__(XYZR self, _ParticleAdaptor d) -> XYZR
2242 _IMP_core.XYZR_swiginit(self, _IMP_core.new_XYZR(*args))
2244 def show(self, *args):
2245 r"""show(XYZR self, _ostream out=std::cout)"""
2246 return _IMP_core.XYZR_show(self, *args)
2249 def setup_particle(*args):
2251 setup_particle(Model m, ParticleIndex pi) -> XYZR
2252 setup_particle(_ParticleAdaptor pa) -> XYZR
2253 setup_particle(Model m, ParticleIndex pi, IMP::Float radius) -> XYZR
2254 setup_particle(_ParticleAdaptor pa, IMP::Float radius) -> XYZR
2255 setup_particle(Model m, ParticleIndex pi, Sphere3D ball) -> XYZR
2256 setup_particle(_ParticleAdaptor pa, Sphere3D ball) -> XYZR
2258 return _IMP_core.XYZR_setup_particle(*args)
2261 def get_is_setup(*args):
2263 get_is_setup(_ParticleAdaptor p) -> bool
2264 get_is_setup(Model m, ParticleIndex pi) -> bool
2266 return _IMP_core.XYZR_get_is_setup(*args)
2268 def get_radius(self):
2269 r"""get_radius(XYZR self) -> double"""
2270 return _IMP_core.XYZR_get_radius(self)
2272 def set_radius(self, r):
2273 r"""set_radius(XYZR self, double r)"""
2274 return _IMP_core.XYZR_set_radius(self, r)
2276 def get_sphere(self):
2277 r"""get_sphere(XYZR self) -> Sphere3D"""
2278 return _IMP_core.XYZR_get_sphere(self)
2280 def set_sphere(self, s):
2281 r"""set_sphere(XYZR self, Sphere3D s)"""
2282 return _IMP_core.XYZR_set_sphere(self, s)
2285 def get_radius_key():
2286 r"""get_radius_key() -> FloatKey"""
2287 return _IMP_core.XYZR_get_radius_key()
2289 def add_to_radius_derivative(self, v, d):
2290 r"""add_to_radius_derivative(XYZR self, double v, DerivativeAccumulator d)"""
2291 return _IMP_core.XYZR_add_to_radius_derivative(self, v, d)
2293 def add_attribute(self, *args):
2295 add_attribute(XYZR self, FloatKey k, IMP::Float v, bool opt)
2296 add_attribute(XYZR self, FloatKey a0, IMP::Float a1)
2297 add_attribute(XYZR self, IntKey a0, IMP::Int a1)
2298 add_attribute(XYZR self, FloatsKey a0, IMP::Floats a1)
2299 add_attribute(XYZR self, IntsKey a0, IMP::Ints a1)
2300 add_attribute(XYZR self, StringKey a0, IMP::String a1)
2301 add_attribute(XYZR self, ParticleIndexKey a0, Particle a1)
2302 add_attribute(XYZR self, ObjectKey a0, Object a1)
2303 add_attribute(XYZR self, SparseFloatKey a0, IMP::Float a1)
2304 add_attribute(XYZR self, SparseIntKey a0, IMP::Int a1)
2305 add_attribute(XYZR self, SparseStringKey a0, IMP::String a1)
2306 add_attribute(XYZR self, SparseParticleIndexKey a0, ParticleIndex a1)
2308 return _IMP_core.XYZR_add_attribute(self, *args)
2310 def get_value(self, *args):
2312 get_value(XYZR self, FloatKey a0) -> IMP::Float
2313 get_value(XYZR self, IntKey a0) -> IMP::Int
2314 get_value(XYZR self, FloatsKey a0) -> IMP::Floats
2315 get_value(XYZR self, IntsKey a0) -> IMP::Ints
2316 get_value(XYZR self, StringKey a0) -> IMP::String
2317 get_value(XYZR self, ParticleIndexKey a0) -> Particle
2318 get_value(XYZR self, ObjectKey a0) -> Object
2319 get_value(XYZR self, SparseFloatKey a0) -> IMP::Float
2320 get_value(XYZR self, SparseIntKey a0) -> IMP::Int
2321 get_value(XYZR self, SparseStringKey a0) -> IMP::String
2322 get_value(XYZR self, SparseParticleIndexKey a0) -> ParticleIndex
2324 return _IMP_core.XYZR_get_value(self, *args)
2326 def set_value(self, *args):
2328 set_value(XYZR self, FloatKey a0, IMP::Float a1)
2329 set_value(XYZR self, IntKey a0, IMP::Int a1)
2330 set_value(XYZR self, FloatsKey a0, IMP::Floats a1)
2331 set_value(XYZR self, IntsKey a0, IMP::Ints a1)
2332 set_value(XYZR self, StringKey a0, IMP::String a1)
2333 set_value(XYZR self, ParticleIndexKey a0, Particle a1)
2334 set_value(XYZR self, ObjectKey a0, Object a1)
2335 set_value(XYZR self, SparseFloatKey a0, IMP::Float a1)
2336 set_value(XYZR self, SparseIntKey a0, IMP::Int a1)
2337 set_value(XYZR self, SparseStringKey a0, IMP::String a1)
2338 set_value(XYZR self, SparseParticleIndexKey a0, ParticleIndex a1)
2340 return _IMP_core.XYZR_set_value(self, *args)
2342 def remove_attribute(self, *args):
2344 remove_attribute(XYZR self, FloatKey a0)
2345 remove_attribute(XYZR self, IntKey a0)
2346 remove_attribute(XYZR self, FloatsKey a0)
2347 remove_attribute(XYZR self, IntsKey a0)
2348 remove_attribute(XYZR self, StringKey a0)
2349 remove_attribute(XYZR self, ParticleIndexKey a0)
2350 remove_attribute(XYZR self, ObjectKey a0)
2351 remove_attribute(XYZR self, SparseFloatKey a0)
2352 remove_attribute(XYZR self, SparseIntKey a0)
2353 remove_attribute(XYZR self, SparseStringKey a0)
2354 remove_attribute(XYZR self, SparseParticleIndexKey a0)
2356 return _IMP_core.XYZR_remove_attribute(self, *args)
2358 def has_attribute(self, *args):
2360 has_attribute(XYZR self, FloatKey a0) -> bool
2361 has_attribute(XYZR self, IntKey a0) -> bool
2362 has_attribute(XYZR self, FloatsKey a0) -> bool
2363 has_attribute(XYZR self, IntsKey a0) -> bool
2364 has_attribute(XYZR self, StringKey a0) -> bool
2365 has_attribute(XYZR self, ParticleIndexKey a0) -> bool
2366 has_attribute(XYZR self, ObjectKey a0) -> bool
2367 has_attribute(XYZR self, SparseFloatKey a0) -> bool
2368 has_attribute(XYZR self, SparseIntKey a0) -> bool
2369 has_attribute(XYZR self, SparseStringKey a0) -> bool
2370 has_attribute(XYZR self, SparseParticleIndexKey a0) -> bool
2372 return _IMP_core.XYZR_has_attribute(self, *args)
2374 def get_derivative(self, a0):
2375 r"""get_derivative(XYZR self, FloatKey a0) -> double"""
2376 return _IMP_core.XYZR_get_derivative(self, a0)
2379 r"""get_name(XYZR self) -> std::string"""
2380 return _IMP_core.XYZR_get_name(self)
2382 def clear_caches(self):
2383 r"""clear_caches(XYZR self)"""
2384 return _IMP_core.XYZR_clear_caches(self)
2386 def set_name(self, a0):
2387 r"""set_name(XYZR self, std::string a0)"""
2388 return _IMP_core.XYZR_set_name(self, a0)
2391 r"""set_check_level(XYZR self, IMP::CheckLevel a0)"""
2392 return _IMP_core.XYZR_set_check_level(self, a0)
2394 def add_to_derivative(self, a0, a1, a2):
2395 r"""add_to_derivative(XYZR self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2396 return _IMP_core.XYZR_add_to_derivative(self, a0, a1, a2)
2398 def set_is_optimized(self, a0, a1):
2399 r"""set_is_optimized(XYZR self, FloatKey a0, bool a1)"""
2400 return _IMP_core.XYZR_set_is_optimized(self, a0, a1)
2402 def get_is_optimized(self, a0):
2403 r"""get_is_optimized(XYZR self, FloatKey a0) -> bool"""
2404 return _IMP_core.XYZR_get_is_optimized(self, a0)
2407 r"""get_check_level(XYZR self) -> IMP::CheckLevel"""
2408 return _IMP_core.XYZR_get_check_level(self)
2410 def __eq__(self, *args):
2412 __eq__(XYZR self, XYZR o) -> bool
2413 __eq__(XYZR self, Particle d) -> bool
2415 return _IMP_core.XYZR___eq__(self, *args)
2417 def __ne__(self, *args):
2419 __ne__(XYZR self, XYZR o) -> bool
2420 __ne__(XYZR self, Particle d) -> bool
2422 return _IMP_core.XYZR___ne__(self, *args)
2424 def __le__(self, *args):
2426 __le__(XYZR self, XYZR o) -> bool
2427 __le__(XYZR self, Particle d) -> bool
2429 return _IMP_core.XYZR___le__(self, *args)
2431 def __lt__(self, *args):
2433 __lt__(XYZR self, XYZR o) -> bool
2434 __lt__(XYZR self, Particle d) -> bool
2436 return _IMP_core.XYZR___lt__(self, *args)
2438 def __ge__(self, *args):
2440 __ge__(XYZR self, XYZR o) -> bool
2441 __ge__(XYZR self, Particle d) -> bool
2443 return _IMP_core.XYZR___ge__(self, *args)
2445 def __gt__(self, *args):
2447 __gt__(XYZR self, XYZR o) -> bool
2448 __gt__(XYZR self, Particle d) -> bool
2450 return _IMP_core.XYZR___gt__(self, *args)
2453 r"""__hash__(XYZR self) -> std::size_t"""
2454 return _IMP_core.XYZR___hash__(self)
2457 r"""__str__(XYZR self) -> std::string"""
2458 return _IMP_core.XYZR___str__(self)
2461 r"""__repr__(XYZR self) -> std::string"""
2462 return _IMP_core.XYZR___repr__(self)
2464 def _get_as_binary(self):
2465 r"""_get_as_binary(XYZR self) -> PyObject *"""
2466 return _IMP_core.XYZR__get_as_binary(self)
2468 def _set_from_binary(self, p):
2469 r"""_set_from_binary(XYZR self, PyObject * p)"""
2470 return _IMP_core.XYZR__set_from_binary(self, p)
2472 def __getstate__(self):
2473 p = self._get_as_binary()
2474 if len(self.__dict__) > 1:
2475 d = self.__dict__.copy()
2480 def __setstate__(self, p):
2481 if not hasattr(self,
'this'):
2483 if isinstance(p, tuple):
2485 self.__dict__.update(d)
2486 return self._set_from_binary(p)
2488 __swig_destroy__ = _IMP_core.delete_XYZR
2491 _IMP_core.XYZR_swigregister(XYZR)
2494 r"""set_enclosing_sphere(XYZR b, IMP::core::XYZs const & v, double slack=0)"""
2495 return _IMP_core.set_enclosing_sphere(b, v, slack)
2498 r"""set_enclosing_radius(XYZR b, IMP::core::XYZs const & v)"""
2499 return _IMP_core.set_enclosing_radius(b, v)
2502 r"""get_enclosing_sphere(IMP::core::XYZs const & v) -> Sphere3D"""
2503 return _IMP_core.get_enclosing_sphere(v)
2506 r"""create_xyzr_particles(Model m, unsigned int num, IMP::Float radius, IMP::Float box_side=10) -> IMP::core::XYZRs"""
2507 return _IMP_core.create_xyzr_particles(m, num, radius, box_side)
2509 r"""Proxy of C++ IMP::core::XYZRGeometry class."""
2511 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2513 def __init__(self, *args):
2515 __init__(XYZRGeometry self, Particle p) -> XYZRGeometry
2516 __init__(XYZRGeometry self, XYZR d) -> XYZRGeometry
2518 _IMP_core.XYZRGeometry_swiginit(self, _IMP_core.new_XYZRGeometry(*args))
2520 def get_version_info(self):
2521 r"""get_version_info(XYZRGeometry self) -> VersionInfo"""
2522 return _IMP_core.XYZRGeometry_get_version_info(self)
2523 __swig_destroy__ = _IMP_core.delete_XYZRGeometry
2526 r"""__str__(XYZRGeometry self) -> std::string"""
2527 return _IMP_core.XYZRGeometry___str__(self)
2530 r"""__repr__(XYZRGeometry self) -> std::string"""
2531 return _IMP_core.XYZRGeometry___repr__(self)
2535 return _object_cast_to_XYZRGeometry(o)
2539 _IMP_core.XYZRGeometry_swigregister(XYZRGeometry)
2541 r"""Proxy of C++ IMP::core::XYZRsGeometry class."""
2543 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2545 def __init__(self, sc):
2546 r"""__init__(XYZRsGeometry self, SingletonContainer sc) -> XYZRsGeometry"""
2547 _IMP_core.XYZRsGeometry_swiginit(self, _IMP_core.new_XYZRsGeometry(sc))
2549 def get_version_info(self):
2550 r"""get_version_info(XYZRsGeometry self) -> VersionInfo"""
2551 return _IMP_core.XYZRsGeometry_get_version_info(self)
2552 __swig_destroy__ = _IMP_core.delete_XYZRsGeometry
2555 r"""__str__(XYZRsGeometry self) -> std::string"""
2556 return _IMP_core.XYZRsGeometry___str__(self)
2559 r"""__repr__(XYZRsGeometry self) -> std::string"""
2560 return _IMP_core.XYZRsGeometry___repr__(self)
2564 return _object_cast_to_XYZRsGeometry(o)
2568 _IMP_core.XYZRsGeometry_swigregister(XYZRsGeometry)
2570 r"""Proxy of C++ IMP::core::XYZDerivativeGeometry class."""
2572 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2574 def __init__(self, *args):
2576 __init__(XYZDerivativeGeometry self, Particle p) -> XYZDerivativeGeometry
2577 __init__(XYZDerivativeGeometry self, XYZ d) -> XYZDerivativeGeometry
2579 _IMP_core.XYZDerivativeGeometry_swiginit(self, _IMP_core.new_XYZDerivativeGeometry(*args))
2581 def get_version_info(self):
2582 r"""get_version_info(XYZDerivativeGeometry self) -> VersionInfo"""
2583 return _IMP_core.XYZDerivativeGeometry_get_version_info(self)
2584 __swig_destroy__ = _IMP_core.delete_XYZDerivativeGeometry
2587 r"""__str__(XYZDerivativeGeometry self) -> std::string"""
2588 return _IMP_core.XYZDerivativeGeometry___str__(self)
2591 r"""__repr__(XYZDerivativeGeometry self) -> std::string"""
2592 return _IMP_core.XYZDerivativeGeometry___repr__(self)
2596 return _object_cast_to_XYZDerivativeGeometry(o)
2600 _IMP_core.XYZDerivativeGeometry_swigregister(XYZDerivativeGeometry)
2602 r"""Proxy of C++ IMP::core::XYZDerivativesGeometry class."""
2604 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2606 def __init__(self, sc):
2607 r"""__init__(XYZDerivativesGeometry self, SingletonContainer sc) -> XYZDerivativesGeometry"""
2608 _IMP_core.XYZDerivativesGeometry_swiginit(self, _IMP_core.new_XYZDerivativesGeometry(sc))
2610 def get_version_info(self):
2611 r"""get_version_info(XYZDerivativesGeometry self) -> VersionInfo"""
2612 return _IMP_core.XYZDerivativesGeometry_get_version_info(self)
2613 __swig_destroy__ = _IMP_core.delete_XYZDerivativesGeometry
2616 r"""__str__(XYZDerivativesGeometry self) -> std::string"""
2617 return _IMP_core.XYZDerivativesGeometry___str__(self)
2620 r"""__repr__(XYZDerivativesGeometry self) -> std::string"""
2621 return _IMP_core.XYZDerivativesGeometry___repr__(self)
2625 return _object_cast_to_XYZDerivativesGeometry(o)
2629 _IMP_core.XYZDerivativesGeometry_swigregister(XYZDerivativesGeometry)
2631 r"""Proxy of C++ IMP::core::EdgePairGeometry class."""
2633 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2635 def __init__(self, pp):
2636 r"""__init__(EdgePairGeometry self, IMP::ParticlePair const & pp) -> EdgePairGeometry"""
2637 _IMP_core.EdgePairGeometry_swiginit(self, _IMP_core.new_EdgePairGeometry(pp))
2639 def get_version_info(self):
2640 r"""get_version_info(EdgePairGeometry self) -> VersionInfo"""
2641 return _IMP_core.EdgePairGeometry_get_version_info(self)
2642 __swig_destroy__ = _IMP_core.delete_EdgePairGeometry
2645 r"""__str__(EdgePairGeometry self) -> std::string"""
2646 return _IMP_core.EdgePairGeometry___str__(self)
2649 r"""__repr__(EdgePairGeometry self) -> std::string"""
2650 return _IMP_core.EdgePairGeometry___repr__(self)
2654 return _object_cast_to_EdgePairGeometry(o)
2658 _IMP_core.EdgePairGeometry_swigregister(EdgePairGeometry)
2660 r"""Proxy of C++ IMP::core::EdgePairsGeometry class."""
2662 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2664 def __init__(self, sc):
2665 r"""__init__(EdgePairsGeometry self, PairContainer sc) -> EdgePairsGeometry"""
2666 _IMP_core.EdgePairsGeometry_swiginit(self, _IMP_core.new_EdgePairsGeometry(sc))
2668 def get_version_info(self):
2669 r"""get_version_info(EdgePairsGeometry self) -> VersionInfo"""
2670 return _IMP_core.EdgePairsGeometry_get_version_info(self)
2671 __swig_destroy__ = _IMP_core.delete_EdgePairsGeometry
2674 r"""__str__(EdgePairsGeometry self) -> std::string"""
2675 return _IMP_core.EdgePairsGeometry___str__(self)
2678 r"""__repr__(EdgePairsGeometry self) -> std::string"""
2679 return _IMP_core.EdgePairsGeometry___repr__(self)
2683 return _object_cast_to_EdgePairsGeometry(o)
2687 _IMP_core.EdgePairsGeometry_swigregister(EdgePairsGeometry)
2689 r"""Proxy of C++ IMP::core::Direction class."""
2691 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2694 def do_setup_particle(m, pi, v):
2695 r"""do_setup_particle(Model m, ParticleIndex pi, Vector3D v)"""
2696 return _IMP_core.Direction_do_setup_particle(m, pi, v)
2698 def __init__(self, *args):
2700 __init__(Direction self) -> Direction
2701 __init__(Direction self, Model m, ParticleIndex id) -> Direction
2702 __init__(Direction self, _ParticleAdaptor d) -> Direction
2704 _IMP_core.Direction_swiginit(self, _IMP_core.new_Direction(*args))
2706 def show(self, *args):
2707 r"""show(Direction self, _ostream out=std::cout)"""
2708 return _IMP_core.Direction_show(self, *args)
2711 def setup_particle(*args):
2713 setup_particle(Model m, ParticleIndex pi, Vector3D v) -> Direction
2714 setup_particle(_ParticleAdaptor pa, Vector3D v) -> Direction
2716 return _IMP_core.Direction_setup_particle(*args)
2719 def get_is_setup(*args):
2721 get_is_setup(_ParticleAdaptor p) -> bool
2722 get_is_setup(Model m, ParticleIndex pi) -> bool
2724 return _IMP_core.Direction_get_is_setup(*args)
2727 def get_direction_key(i):
2728 r"""get_direction_key(unsigned int i) -> FloatKey"""
2729 return _IMP_core.Direction_get_direction_key(i)
2731 def get_direction_derivative(self, i):
2732 r"""get_direction_derivative(Direction self, int i) -> IMP::Float"""
2733 return _IMP_core.Direction_get_direction_derivative(self, i)
2735 def get_direction_derivatives(self):
2736 r"""get_direction_derivatives(Direction self) -> Vector3D"""
2737 return _IMP_core.Direction_get_direction_derivatives(self)
2739 def add_to_direction_derivative(self, i, v, d):
2740 r"""add_to_direction_derivative(Direction self, int i, IMP::Float v, DerivativeAccumulator d)"""
2741 return _IMP_core.Direction_add_to_direction_derivative(self, i, v, d)
2743 def add_to_direction_derivatives(self, v, d):
2744 r"""add_to_direction_derivatives(Direction self, Vector3D v, DerivativeAccumulator d)"""
2745 return _IMP_core.Direction_add_to_direction_derivatives(self, v, d)
2747 def get_direction_is_optimized(self):
2748 r"""get_direction_is_optimized(Direction self) -> bool"""
2749 return _IMP_core.Direction_get_direction_is_optimized(self)
2751 def set_direction_is_optimized(self, tf):
2752 r"""set_direction_is_optimized(Direction self, bool tf)"""
2753 return _IMP_core.Direction_set_direction_is_optimized(self, tf)
2755 def get_direction(self):
2756 r"""get_direction(Direction self) -> Vector3D"""
2757 return _IMP_core.Direction_get_direction(self)
2759 def set_direction(self, v):
2760 r"""set_direction(Direction self, Vector3D v)"""
2761 return _IMP_core.Direction_set_direction(self, v)
2764 r"""reflect(Direction self)"""
2765 return _IMP_core.Direction_reflect(self)
2767 def add_attribute(self, *args):
2769 add_attribute(Direction self, FloatKey k, IMP::Float v, bool opt)
2770 add_attribute(Direction self, FloatKey a0, IMP::Float a1)
2771 add_attribute(Direction self, IntKey a0, IMP::Int a1)
2772 add_attribute(Direction self, FloatsKey a0, IMP::Floats a1)
2773 add_attribute(Direction self, IntsKey a0, IMP::Ints a1)
2774 add_attribute(Direction self, StringKey a0, IMP::String a1)
2775 add_attribute(Direction self, ParticleIndexKey a0, Particle a1)
2776 add_attribute(Direction self, ObjectKey a0, Object a1)
2777 add_attribute(Direction self, SparseFloatKey a0, IMP::Float a1)
2778 add_attribute(Direction self, SparseIntKey a0, IMP::Int a1)
2779 add_attribute(Direction self, SparseStringKey a0, IMP::String a1)
2780 add_attribute(Direction self, SparseParticleIndexKey a0, ParticleIndex a1)
2782 return _IMP_core.Direction_add_attribute(self, *args)
2784 def get_value(self, *args):
2786 get_value(Direction self, FloatKey a0) -> IMP::Float
2787 get_value(Direction self, IntKey a0) -> IMP::Int
2788 get_value(Direction self, FloatsKey a0) -> IMP::Floats
2789 get_value(Direction self, IntsKey a0) -> IMP::Ints
2790 get_value(Direction self, StringKey a0) -> IMP::String
2791 get_value(Direction self, ParticleIndexKey a0) -> Particle
2792 get_value(Direction self, ObjectKey a0) -> Object
2793 get_value(Direction self, SparseFloatKey a0) -> IMP::Float
2794 get_value(Direction self, SparseIntKey a0) -> IMP::Int
2795 get_value(Direction self, SparseStringKey a0) -> IMP::String
2796 get_value(Direction self, SparseParticleIndexKey a0) -> ParticleIndex
2798 return _IMP_core.Direction_get_value(self, *args)
2800 def set_value(self, *args):
2802 set_value(Direction self, FloatKey a0, IMP::Float a1)
2803 set_value(Direction self, IntKey a0, IMP::Int a1)
2804 set_value(Direction self, FloatsKey a0, IMP::Floats a1)
2805 set_value(Direction self, IntsKey a0, IMP::Ints a1)
2806 set_value(Direction self, StringKey a0, IMP::String a1)
2807 set_value(Direction self, ParticleIndexKey a0, Particle a1)
2808 set_value(Direction self, ObjectKey a0, Object a1)
2809 set_value(Direction self, SparseFloatKey a0, IMP::Float a1)
2810 set_value(Direction self, SparseIntKey a0, IMP::Int a1)
2811 set_value(Direction self, SparseStringKey a0, IMP::String a1)
2812 set_value(Direction self, SparseParticleIndexKey a0, ParticleIndex a1)
2814 return _IMP_core.Direction_set_value(self, *args)
2816 def remove_attribute(self, *args):
2818 remove_attribute(Direction self, FloatKey a0)
2819 remove_attribute(Direction self, IntKey a0)
2820 remove_attribute(Direction self, FloatsKey a0)
2821 remove_attribute(Direction self, IntsKey a0)
2822 remove_attribute(Direction self, StringKey a0)
2823 remove_attribute(Direction self, ParticleIndexKey a0)
2824 remove_attribute(Direction self, ObjectKey a0)
2825 remove_attribute(Direction self, SparseFloatKey a0)
2826 remove_attribute(Direction self, SparseIntKey a0)
2827 remove_attribute(Direction self, SparseStringKey a0)
2828 remove_attribute(Direction self, SparseParticleIndexKey a0)
2830 return _IMP_core.Direction_remove_attribute(self, *args)
2832 def has_attribute(self, *args):
2834 has_attribute(Direction self, FloatKey a0) -> bool
2835 has_attribute(Direction self, IntKey a0) -> bool
2836 has_attribute(Direction self, FloatsKey a0) -> bool
2837 has_attribute(Direction self, IntsKey a0) -> bool
2838 has_attribute(Direction self, StringKey a0) -> bool
2839 has_attribute(Direction self, ParticleIndexKey a0) -> bool
2840 has_attribute(Direction self, ObjectKey a0) -> bool
2841 has_attribute(Direction self, SparseFloatKey a0) -> bool
2842 has_attribute(Direction self, SparseIntKey a0) -> bool
2843 has_attribute(Direction self, SparseStringKey a0) -> bool
2844 has_attribute(Direction self, SparseParticleIndexKey a0) -> bool
2846 return _IMP_core.Direction_has_attribute(self, *args)
2848 def get_derivative(self, a0):
2849 r"""get_derivative(Direction self, FloatKey a0) -> double"""
2850 return _IMP_core.Direction_get_derivative(self, a0)
2853 r"""get_name(Direction self) -> std::string"""
2854 return _IMP_core.Direction_get_name(self)
2856 def clear_caches(self):
2857 r"""clear_caches(Direction self)"""
2858 return _IMP_core.Direction_clear_caches(self)
2860 def set_name(self, a0):
2861 r"""set_name(Direction self, std::string a0)"""
2862 return _IMP_core.Direction_set_name(self, a0)
2865 r"""set_check_level(Direction self, IMP::CheckLevel a0)"""
2866 return _IMP_core.Direction_set_check_level(self, a0)
2868 def add_to_derivative(self, a0, a1, a2):
2869 r"""add_to_derivative(Direction self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2870 return _IMP_core.Direction_add_to_derivative(self, a0, a1, a2)
2872 def set_is_optimized(self, a0, a1):
2873 r"""set_is_optimized(Direction self, FloatKey a0, bool a1)"""
2874 return _IMP_core.Direction_set_is_optimized(self, a0, a1)
2876 def get_is_optimized(self, a0):
2877 r"""get_is_optimized(Direction self, FloatKey a0) -> bool"""
2878 return _IMP_core.Direction_get_is_optimized(self, a0)
2881 r"""get_check_level(Direction self) -> IMP::CheckLevel"""
2882 return _IMP_core.Direction_get_check_level(self)
2884 def __eq__(self, *args):
2886 __eq__(Direction self, Direction o) -> bool
2887 __eq__(Direction self, Particle d) -> bool
2889 return _IMP_core.Direction___eq__(self, *args)
2891 def __ne__(self, *args):
2893 __ne__(Direction self, Direction o) -> bool
2894 __ne__(Direction self, Particle d) -> bool
2896 return _IMP_core.Direction___ne__(self, *args)
2898 def __le__(self, *args):
2900 __le__(Direction self, Direction o) -> bool
2901 __le__(Direction self, Particle d) -> bool
2903 return _IMP_core.Direction___le__(self, *args)
2905 def __lt__(self, *args):
2907 __lt__(Direction self, Direction o) -> bool
2908 __lt__(Direction self, Particle d) -> bool
2910 return _IMP_core.Direction___lt__(self, *args)
2912 def __ge__(self, *args):
2914 __ge__(Direction self, Direction o) -> bool
2915 __ge__(Direction self, Particle d) -> bool
2917 return _IMP_core.Direction___ge__(self, *args)
2919 def __gt__(self, *args):
2921 __gt__(Direction self, Direction o) -> bool
2922 __gt__(Direction self, Particle d) -> bool
2924 return _IMP_core.Direction___gt__(self, *args)
2927 r"""__hash__(Direction self) -> std::size_t"""
2928 return _IMP_core.Direction___hash__(self)
2931 r"""__str__(Direction self) -> std::string"""
2932 return _IMP_core.Direction___str__(self)
2935 r"""__repr__(Direction self) -> std::string"""
2936 return _IMP_core.Direction___repr__(self)
2938 def _get_as_binary(self):
2939 r"""_get_as_binary(Direction self) -> PyObject *"""
2940 return _IMP_core.Direction__get_as_binary(self)
2942 def _set_from_binary(self, p):
2943 r"""_set_from_binary(Direction self, PyObject * p)"""
2944 return _IMP_core.Direction__set_from_binary(self, p)
2946 def __getstate__(self):
2947 p = self._get_as_binary()
2948 if len(self.__dict__) > 1:
2949 d = self.__dict__.copy()
2954 def __setstate__(self, p):
2955 if not hasattr(self,
'this'):
2957 if isinstance(p, tuple):
2959 self.__dict__.update(d)
2960 return self._set_from_binary(p)
2962 __swig_destroy__ = _IMP_core.delete_Direction
2965 _IMP_core.Direction_swigregister(Direction)
2968 r"""get_angle(Direction a, Direction b) -> double"""
2969 return _IMP_core.get_angle(a, b)
2971 r"""Proxy of C++ IMP::core::DirectionAngle class."""
2973 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2975 def __init__(self, *args):
2977 __init__(DirectionAngle self) -> DirectionAngle
2978 __init__(DirectionAngle self, Model m, ParticleIndex id) -> DirectionAngle
2979 __init__(DirectionAngle self, _ParticleAdaptor d) -> DirectionAngle
2981 _IMP_core.DirectionAngle_swiginit(self, _IMP_core.new_DirectionAngle(*args))
2983 def show(self, *args):
2984 r"""show(DirectionAngle self, _ostream out=std::cout)"""
2985 return _IMP_core.DirectionAngle_show(self, *args)
2988 def setup_particle(*args):
2990 setup_particle(Model m, ParticleIndex pi, IMP::ParticleIndexPair ds) -> DirectionAngle
2991 setup_particle(_ParticleAdaptor pa, IMP::ParticleIndexPair ds) -> DirectionAngle
2992 setup_particle(Model m, ParticleIndex pi, _ParticleIndexAdaptor d0, _ParticleIndexAdaptor d1) -> DirectionAngle
2993 setup_particle(_ParticleAdaptor pa, _ParticleIndexAdaptor d0, _ParticleIndexAdaptor d1) -> DirectionAngle
2995 return _IMP_core.DirectionAngle_setup_particle(*args)
2998 def get_is_setup(*args):
3000 get_is_setup(_ParticleAdaptor p) -> bool
3001 get_is_setup(Model m, ParticleIndex pi) -> bool
3003 return _IMP_core.DirectionAngle_get_is_setup(*args)
3006 def get_angle_key():
3007 r"""get_angle_key() -> FloatKey"""
3008 return _IMP_core.DirectionAngle_get_angle_key()
3011 def get_particle_key(i):
3012 r"""get_particle_key(unsigned int i) -> ParticleIndexKey"""
3013 return _IMP_core.DirectionAngle_get_particle_key(i)
3015 def get_particle(self, *args):
3017 get_particle(DirectionAngle self, unsigned int i) -> Particle
3018 get_particle(DirectionAngle self) -> Particle
3020 return _IMP_core.DirectionAngle_get_particle(self, *args)
3022 def get_particle_index(self, *args):
3024 get_particle_index(DirectionAngle self, unsigned int i) -> ParticleIndex
3025 get_particle_index(DirectionAngle self) -> ParticleIndex
3027 return _IMP_core.DirectionAngle_get_particle_index(self, *args)
3030 r"""get_angle(DirectionAngle self) -> IMP::Float"""
3031 return _IMP_core.DirectionAngle_get_angle(self)
3033 def get_angle_derivative(self):
3034 r"""get_angle_derivative(DirectionAngle self) -> IMP::Float"""
3035 return _IMP_core.DirectionAngle_get_angle_derivative(self)
3037 def add_to_angle_derivative(self, v, d):
3038 r"""add_to_angle_derivative(DirectionAngle self, IMP::Float v, DerivativeAccumulator d)"""
3039 return _IMP_core.DirectionAngle_add_to_angle_derivative(self, v, d)
3041 def add_attribute(self, *args):
3043 add_attribute(DirectionAngle self, FloatKey k, IMP::Float v, bool opt)
3044 add_attribute(DirectionAngle self, FloatKey a0, IMP::Float a1)
3045 add_attribute(DirectionAngle self, IntKey a0, IMP::Int a1)
3046 add_attribute(DirectionAngle self, FloatsKey a0, IMP::Floats a1)
3047 add_attribute(DirectionAngle self, IntsKey a0, IMP::Ints a1)
3048 add_attribute(DirectionAngle self, StringKey a0, IMP::String a1)
3049 add_attribute(DirectionAngle self, ParticleIndexKey a0, Particle a1)
3050 add_attribute(DirectionAngle self, ObjectKey a0, Object a1)
3051 add_attribute(DirectionAngle self, SparseFloatKey a0, IMP::Float a1)
3052 add_attribute(DirectionAngle self, SparseIntKey a0, IMP::Int a1)
3053 add_attribute(DirectionAngle self, SparseStringKey a0, IMP::String a1)
3054 add_attribute(DirectionAngle self, SparseParticleIndexKey a0, ParticleIndex a1)
3056 return _IMP_core.DirectionAngle_add_attribute(self, *args)
3058 def get_value(self, *args):
3060 get_value(DirectionAngle self, FloatKey a0) -> IMP::Float
3061 get_value(DirectionAngle self, IntKey a0) -> IMP::Int
3062 get_value(DirectionAngle self, FloatsKey a0) -> IMP::Floats
3063 get_value(DirectionAngle self, IntsKey a0) -> IMP::Ints
3064 get_value(DirectionAngle self, StringKey a0) -> IMP::String
3065 get_value(DirectionAngle self, ParticleIndexKey a0) -> Particle
3066 get_value(DirectionAngle self, ObjectKey a0) -> Object
3067 get_value(DirectionAngle self, SparseFloatKey a0) -> IMP::Float
3068 get_value(DirectionAngle self, SparseIntKey a0) -> IMP::Int
3069 get_value(DirectionAngle self, SparseStringKey a0) -> IMP::String
3070 get_value(DirectionAngle self, SparseParticleIndexKey a0) -> ParticleIndex
3072 return _IMP_core.DirectionAngle_get_value(self, *args)
3074 def set_value(self, *args):
3076 set_value(DirectionAngle self, FloatKey a0, IMP::Float a1)
3077 set_value(DirectionAngle self, IntKey a0, IMP::Int a1)
3078 set_value(DirectionAngle self, FloatsKey a0, IMP::Floats a1)
3079 set_value(DirectionAngle self, IntsKey a0, IMP::Ints a1)
3080 set_value(DirectionAngle self, StringKey a0, IMP::String a1)
3081 set_value(DirectionAngle self, ParticleIndexKey a0, Particle a1)
3082 set_value(DirectionAngle self, ObjectKey a0, Object a1)
3083 set_value(DirectionAngle self, SparseFloatKey a0, IMP::Float a1)
3084 set_value(DirectionAngle self, SparseIntKey a0, IMP::Int a1)
3085 set_value(DirectionAngle self, SparseStringKey a0, IMP::String a1)
3086 set_value(DirectionAngle self, SparseParticleIndexKey a0, ParticleIndex a1)
3088 return _IMP_core.DirectionAngle_set_value(self, *args)
3090 def remove_attribute(self, *args):
3092 remove_attribute(DirectionAngle self, FloatKey a0)
3093 remove_attribute(DirectionAngle self, IntKey a0)
3094 remove_attribute(DirectionAngle self, FloatsKey a0)
3095 remove_attribute(DirectionAngle self, IntsKey a0)
3096 remove_attribute(DirectionAngle self, StringKey a0)
3097 remove_attribute(DirectionAngle self, ParticleIndexKey a0)
3098 remove_attribute(DirectionAngle self, ObjectKey a0)
3099 remove_attribute(DirectionAngle self, SparseFloatKey a0)
3100 remove_attribute(DirectionAngle self, SparseIntKey a0)
3101 remove_attribute(DirectionAngle self, SparseStringKey a0)
3102 remove_attribute(DirectionAngle self, SparseParticleIndexKey a0)
3104 return _IMP_core.DirectionAngle_remove_attribute(self, *args)
3106 def has_attribute(self, *args):
3108 has_attribute(DirectionAngle self, FloatKey a0) -> bool
3109 has_attribute(DirectionAngle self, IntKey a0) -> bool
3110 has_attribute(DirectionAngle self, FloatsKey a0) -> bool
3111 has_attribute(DirectionAngle self, IntsKey a0) -> bool
3112 has_attribute(DirectionAngle self, StringKey a0) -> bool
3113 has_attribute(DirectionAngle self, ParticleIndexKey a0) -> bool
3114 has_attribute(DirectionAngle self, ObjectKey a0) -> bool
3115 has_attribute(DirectionAngle self, SparseFloatKey a0) -> bool
3116 has_attribute(DirectionAngle self, SparseIntKey a0) -> bool
3117 has_attribute(DirectionAngle self, SparseStringKey a0) -> bool
3118 has_attribute(DirectionAngle self, SparseParticleIndexKey a0) -> bool
3120 return _IMP_core.DirectionAngle_has_attribute(self, *args)
3122 def get_derivative(self, a0):
3123 r"""get_derivative(DirectionAngle self, FloatKey a0) -> double"""
3124 return _IMP_core.DirectionAngle_get_derivative(self, a0)
3127 r"""get_name(DirectionAngle self) -> std::string"""
3128 return _IMP_core.DirectionAngle_get_name(self)
3130 def clear_caches(self):
3131 r"""clear_caches(DirectionAngle self)"""
3132 return _IMP_core.DirectionAngle_clear_caches(self)
3134 def set_name(self, a0):
3135 r"""set_name(DirectionAngle self, std::string a0)"""
3136 return _IMP_core.DirectionAngle_set_name(self, a0)
3139 r"""set_check_level(DirectionAngle self, IMP::CheckLevel a0)"""
3140 return _IMP_core.DirectionAngle_set_check_level(self, a0)
3142 def add_to_derivative(self, a0, a1, a2):
3143 r"""add_to_derivative(DirectionAngle self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3144 return _IMP_core.DirectionAngle_add_to_derivative(self, a0, a1, a2)
3146 def set_is_optimized(self, a0, a1):
3147 r"""set_is_optimized(DirectionAngle self, FloatKey a0, bool a1)"""
3148 return _IMP_core.DirectionAngle_set_is_optimized(self, a0, a1)
3150 def get_is_optimized(self, a0):
3151 r"""get_is_optimized(DirectionAngle self, FloatKey a0) -> bool"""
3152 return _IMP_core.DirectionAngle_get_is_optimized(self, a0)
3155 r"""get_check_level(DirectionAngle self) -> IMP::CheckLevel"""
3156 return _IMP_core.DirectionAngle_get_check_level(self)
3158 def __eq__(self, *args):
3160 __eq__(DirectionAngle self, DirectionAngle o) -> bool
3161 __eq__(DirectionAngle self, Particle d) -> bool
3163 return _IMP_core.DirectionAngle___eq__(self, *args)
3165 def __ne__(self, *args):
3167 __ne__(DirectionAngle self, DirectionAngle o) -> bool
3168 __ne__(DirectionAngle self, Particle d) -> bool
3170 return _IMP_core.DirectionAngle___ne__(self, *args)
3172 def __le__(self, *args):
3174 __le__(DirectionAngle self, DirectionAngle o) -> bool
3175 __le__(DirectionAngle self, Particle d) -> bool
3177 return _IMP_core.DirectionAngle___le__(self, *args)
3179 def __lt__(self, *args):
3181 __lt__(DirectionAngle self, DirectionAngle o) -> bool
3182 __lt__(DirectionAngle self, Particle d) -> bool
3184 return _IMP_core.DirectionAngle___lt__(self, *args)
3186 def __ge__(self, *args):
3188 __ge__(DirectionAngle self, DirectionAngle o) -> bool
3189 __ge__(DirectionAngle self, Particle d) -> bool
3191 return _IMP_core.DirectionAngle___ge__(self, *args)
3193 def __gt__(self, *args):
3195 __gt__(DirectionAngle self, DirectionAngle o) -> bool
3196 __gt__(DirectionAngle self, Particle d) -> bool
3198 return _IMP_core.DirectionAngle___gt__(self, *args)
3201 r"""__hash__(DirectionAngle self) -> std::size_t"""
3202 return _IMP_core.DirectionAngle___hash__(self)
3205 r"""__str__(DirectionAngle self) -> std::string"""
3206 return _IMP_core.DirectionAngle___str__(self)
3209 r"""__repr__(DirectionAngle self) -> std::string"""
3210 return _IMP_core.DirectionAngle___repr__(self)
3212 def _get_as_binary(self):
3213 r"""_get_as_binary(DirectionAngle self) -> PyObject *"""
3214 return _IMP_core.DirectionAngle__get_as_binary(self)
3216 def _set_from_binary(self, p):
3217 r"""_set_from_binary(DirectionAngle self, PyObject * p)"""
3218 return _IMP_core.DirectionAngle__set_from_binary(self, p)
3220 def __getstate__(self):
3221 p = self._get_as_binary()
3222 if len(self.__dict__) > 1:
3223 d = self.__dict__.copy()
3228 def __setstate__(self, p):
3229 if not hasattr(self,
'this'):
3231 if isinstance(p, tuple):
3233 self.__dict__.update(d)
3234 return self._set_from_binary(p)
3236 __swig_destroy__ = _IMP_core.delete_DirectionAngle
3239 _IMP_core.DirectionAngle_swigregister(DirectionAngle)
3241 r"""Proxy of C++ IMP::core::Surface class."""
3243 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3246 def do_setup_particle(*args):
3248 do_setup_particle(Model m, ParticleIndex pi, Vector3D center=IMP::algebra::Vector3D(0, 0, 0), Vector3D normal=IMP::algebra::Vector3D(0, 0, 1))
3249 do_setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf)
3251 return _IMP_core.Surface_do_setup_particle(*args)
3253 def __init__(self, *args):
3255 __init__(Surface self) -> Surface
3256 __init__(Surface self, Model m, ParticleIndex id) -> Surface
3257 __init__(Surface self, _ParticleAdaptor d) -> Surface
3259 _IMP_core.Surface_swiginit(self, _IMP_core.new_Surface(*args))
3261 def show(self, *args):
3262 r"""show(Surface self, _ostream out=std::cout)"""
3263 return _IMP_core.Surface_show(self, *args)
3266 def setup_particle(*args):
3268 setup_particle(Model m, ParticleIndex pi) -> Surface
3269 setup_particle(_ParticleAdaptor pa) -> Surface
3270 setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf) -> Surface
3271 setup_particle(_ParticleAdaptor pa, ReferenceFrame3D rf) -> Surface
3272 setup_particle(Model m, ParticleIndex pi, Vector3D center) -> Surface
3273 setup_particle(_ParticleAdaptor pa, Vector3D center) -> Surface
3274 setup_particle(Model m, ParticleIndex pi, Vector3D center, Vector3D normal) -> Surface
3275 setup_particle(_ParticleAdaptor pa, Vector3D center, Vector3D normal) -> Surface
3277 return _IMP_core.Surface_setup_particle(*args)
3279 def get_normal_x(self):
3280 r"""get_normal_x(Surface self) -> IMP::Float"""
3281 return _IMP_core.Surface_get_normal_x(self)
3283 def set_normal_x(self, t):
3284 r"""set_normal_x(Surface self, IMP::Float t)"""
3285 return _IMP_core.Surface_set_normal_x(self, t)
3287 def get_normal_y(self):
3288 r"""get_normal_y(Surface self) -> IMP::Float"""
3289 return _IMP_core.Surface_get_normal_y(self)
3291 def set_normal_y(self, t):
3292 r"""set_normal_y(Surface self, IMP::Float t)"""
3293 return _IMP_core.Surface_set_normal_y(self, t)
3295 def get_normal_z(self):
3296 r"""get_normal_z(Surface self) -> IMP::Float"""
3297 return _IMP_core.Surface_get_normal_z(self)
3299 def set_normal_z(self, t):
3300 r"""set_normal_z(Surface self, IMP::Float t)"""
3301 return _IMP_core.Surface_set_normal_z(self, t)
3304 def get_is_setup(*args):
3306 get_is_setup(_ParticleAdaptor p) -> bool
3307 get_is_setup(Model m, ParticleIndex pi) -> bool
3309 return _IMP_core.Surface_get_is_setup(*args)
3312 def get_normal_key(i):
3313 r"""get_normal_key(unsigned int i) -> FloatKey"""
3314 return _IMP_core.Surface_get_normal_key(i)
3316 def get_normal_derivative(self, i):
3317 r"""get_normal_derivative(Surface self, int i) -> IMP::Float"""
3318 return _IMP_core.Surface_get_normal_derivative(self, i)
3320 def get_normal_derivatives(self):
3321 r"""get_normal_derivatives(Surface self) -> Vector3D"""
3322 return _IMP_core.Surface_get_normal_derivatives(self)
3324 def add_to_normal_derivative(self, i, v, d):
3325 r"""add_to_normal_derivative(Surface self, int i, IMP::Float v, DerivativeAccumulator d)"""
3326 return _IMP_core.Surface_add_to_normal_derivative(self, i, v, d)
3328 def add_to_normal_derivatives(self, v, d):
3329 r"""add_to_normal_derivatives(Surface self, Vector3D v, DerivativeAccumulator d)"""
3330 return _IMP_core.Surface_add_to_normal_derivatives(self, v, d)
3332 def get_normal_is_optimized(self):
3333 r"""get_normal_is_optimized(Surface self) -> bool"""
3334 return _IMP_core.Surface_get_normal_is_optimized(self)
3336 def set_normal_is_optimized(self, tf):
3337 r"""set_normal_is_optimized(Surface self, bool tf)"""
3338 return _IMP_core.Surface_set_normal_is_optimized(self, tf)
3340 def get_normal(self):
3341 r"""get_normal(Surface self) -> Vector3D"""
3342 return _IMP_core.Surface_get_normal(self)
3344 def set_normal(self, normal):
3345 r"""set_normal(Surface self, Vector3D normal)"""
3346 return _IMP_core.Surface_set_normal(self, normal)
3349 r"""reflect(Surface self)"""
3350 return _IMP_core.Surface_reflect(self)
3353 r"""get_height(Surface self, Vector3D v) -> double"""
3354 return _IMP_core.Surface_get_height(self, v)
3357 r"""get_depth(Surface self, Vector3D v) -> double"""
3358 return _IMP_core.Surface_get_depth(self, v)
3360 def get_distance_to(self, v):
3361 r"""get_distance_to(Surface self, Vector3D v) -> double"""
3362 return _IMP_core.Surface_get_distance_to(self, v)
3364 def get_distance_to_center(self, v):
3365 r"""get_distance_to_center(Surface self, Vector3D v) -> double"""
3366 return _IMP_core.Surface_get_distance_to_center(self, v)
3368 def set_reference_frame(self, rf):
3369 r"""set_reference_frame(Surface self, ReferenceFrame3D rf)"""
3370 return _IMP_core.Surface_set_reference_frame(self, rf)
3372 def get_reference_frame(self):
3373 r"""get_reference_frame(Surface self) -> ReferenceFrame3D"""
3374 return _IMP_core.Surface_get_reference_frame(self)
3376 def get_plane(self):
3377 r"""get_plane(Surface self) -> Plane3D"""
3378 return _IMP_core.Surface_get_plane(self)
3380 def add_attribute(self, *args):
3382 add_attribute(Surface self, FloatKey k, IMP::Float v, bool opt)
3383 add_attribute(Surface self, FloatKey a0, IMP::Float a1)
3384 add_attribute(Surface self, IntKey a0, IMP::Int a1)
3385 add_attribute(Surface self, FloatsKey a0, IMP::Floats a1)
3386 add_attribute(Surface self, IntsKey a0, IMP::Ints a1)
3387 add_attribute(Surface self, StringKey a0, IMP::String a1)
3388 add_attribute(Surface self, ParticleIndexKey a0, Particle a1)
3389 add_attribute(Surface self, ObjectKey a0, Object a1)
3390 add_attribute(Surface self, SparseFloatKey a0, IMP::Float a1)
3391 add_attribute(Surface self, SparseIntKey a0, IMP::Int a1)
3392 add_attribute(Surface self, SparseStringKey a0, IMP::String a1)
3393 add_attribute(Surface self, SparseParticleIndexKey a0, ParticleIndex a1)
3395 return _IMP_core.Surface_add_attribute(self, *args)
3397 def get_value(self, *args):
3399 get_value(Surface self, FloatKey a0) -> IMP::Float
3400 get_value(Surface self, IntKey a0) -> IMP::Int
3401 get_value(Surface self, FloatsKey a0) -> IMP::Floats
3402 get_value(Surface self, IntsKey a0) -> IMP::Ints
3403 get_value(Surface self, StringKey a0) -> IMP::String
3404 get_value(Surface self, ParticleIndexKey a0) -> Particle
3405 get_value(Surface self, ObjectKey a0) -> Object
3406 get_value(Surface self, SparseFloatKey a0) -> IMP::Float
3407 get_value(Surface self, SparseIntKey a0) -> IMP::Int
3408 get_value(Surface self, SparseStringKey a0) -> IMP::String
3409 get_value(Surface self, SparseParticleIndexKey a0) -> ParticleIndex
3411 return _IMP_core.Surface_get_value(self, *args)
3413 def set_value(self, *args):
3415 set_value(Surface self, FloatKey a0, IMP::Float a1)
3416 set_value(Surface self, IntKey a0, IMP::Int a1)
3417 set_value(Surface self, FloatsKey a0, IMP::Floats a1)
3418 set_value(Surface self, IntsKey a0, IMP::Ints a1)
3419 set_value(Surface self, StringKey a0, IMP::String a1)
3420 set_value(Surface self, ParticleIndexKey a0, Particle a1)
3421 set_value(Surface self, ObjectKey a0, Object a1)
3422 set_value(Surface self, SparseFloatKey a0, IMP::Float a1)
3423 set_value(Surface self, SparseIntKey a0, IMP::Int a1)
3424 set_value(Surface self, SparseStringKey a0, IMP::String a1)
3425 set_value(Surface self, SparseParticleIndexKey a0, ParticleIndex a1)
3427 return _IMP_core.Surface_set_value(self, *args)
3429 def remove_attribute(self, *args):
3431 remove_attribute(Surface self, FloatKey a0)
3432 remove_attribute(Surface self, IntKey a0)
3433 remove_attribute(Surface self, FloatsKey a0)
3434 remove_attribute(Surface self, IntsKey a0)
3435 remove_attribute(Surface self, StringKey a0)
3436 remove_attribute(Surface self, ParticleIndexKey a0)
3437 remove_attribute(Surface self, ObjectKey a0)
3438 remove_attribute(Surface self, SparseFloatKey a0)
3439 remove_attribute(Surface self, SparseIntKey a0)
3440 remove_attribute(Surface self, SparseStringKey a0)
3441 remove_attribute(Surface self, SparseParticleIndexKey a0)
3443 return _IMP_core.Surface_remove_attribute(self, *args)
3445 def has_attribute(self, *args):
3447 has_attribute(Surface self, FloatKey a0) -> bool
3448 has_attribute(Surface self, IntKey a0) -> bool
3449 has_attribute(Surface self, FloatsKey a0) -> bool
3450 has_attribute(Surface self, IntsKey a0) -> bool
3451 has_attribute(Surface self, StringKey a0) -> bool
3452 has_attribute(Surface self, ParticleIndexKey a0) -> bool
3453 has_attribute(Surface self, ObjectKey a0) -> bool
3454 has_attribute(Surface self, SparseFloatKey a0) -> bool
3455 has_attribute(Surface self, SparseIntKey a0) -> bool
3456 has_attribute(Surface self, SparseStringKey a0) -> bool
3457 has_attribute(Surface self, SparseParticleIndexKey a0) -> bool
3459 return _IMP_core.Surface_has_attribute(self, *args)
3461 def get_derivative(self, a0):
3462 r"""get_derivative(Surface self, FloatKey a0) -> double"""
3463 return _IMP_core.Surface_get_derivative(self, a0)
3466 r"""get_name(Surface self) -> std::string"""
3467 return _IMP_core.Surface_get_name(self)
3469 def clear_caches(self):
3470 r"""clear_caches(Surface self)"""
3471 return _IMP_core.Surface_clear_caches(self)
3473 def set_name(self, a0):
3474 r"""set_name(Surface self, std::string a0)"""
3475 return _IMP_core.Surface_set_name(self, a0)
3478 r"""set_check_level(Surface self, IMP::CheckLevel a0)"""
3479 return _IMP_core.Surface_set_check_level(self, a0)
3481 def add_to_derivative(self, a0, a1, a2):
3482 r"""add_to_derivative(Surface self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3483 return _IMP_core.Surface_add_to_derivative(self, a0, a1, a2)
3485 def set_is_optimized(self, a0, a1):
3486 r"""set_is_optimized(Surface self, FloatKey a0, bool a1)"""
3487 return _IMP_core.Surface_set_is_optimized(self, a0, a1)
3489 def get_is_optimized(self, a0):
3490 r"""get_is_optimized(Surface self, FloatKey a0) -> bool"""
3491 return _IMP_core.Surface_get_is_optimized(self, a0)
3494 r"""get_check_level(Surface self) -> IMP::CheckLevel"""
3495 return _IMP_core.Surface_get_check_level(self)
3497 def __eq__(self, *args):
3499 __eq__(Surface self, Surface o) -> bool
3500 __eq__(Surface self, Particle d) -> bool
3502 return _IMP_core.Surface___eq__(self, *args)
3504 def __ne__(self, *args):
3506 __ne__(Surface self, Surface o) -> bool
3507 __ne__(Surface self, Particle d) -> bool
3509 return _IMP_core.Surface___ne__(self, *args)
3511 def __le__(self, *args):
3513 __le__(Surface self, Surface o) -> bool
3514 __le__(Surface self, Particle d) -> bool
3516 return _IMP_core.Surface___le__(self, *args)
3518 def __lt__(self, *args):
3520 __lt__(Surface self, Surface o) -> bool
3521 __lt__(Surface self, Particle d) -> bool
3523 return _IMP_core.Surface___lt__(self, *args)
3525 def __ge__(self, *args):
3527 __ge__(Surface self, Surface o) -> bool
3528 __ge__(Surface self, Particle d) -> bool
3530 return _IMP_core.Surface___ge__(self, *args)
3532 def __gt__(self, *args):
3534 __gt__(Surface self, Surface o) -> bool
3535 __gt__(Surface self, Particle d) -> bool
3537 return _IMP_core.Surface___gt__(self, *args)
3540 r"""__hash__(Surface self) -> std::size_t"""
3541 return _IMP_core.Surface___hash__(self)
3544 r"""__str__(Surface self) -> std::string"""
3545 return _IMP_core.Surface___str__(self)
3548 r"""__repr__(Surface self) -> std::string"""
3549 return _IMP_core.Surface___repr__(self)
3551 def _get_as_binary(self):
3552 r"""_get_as_binary(Surface self) -> PyObject *"""
3553 return _IMP_core.Surface__get_as_binary(self)
3555 def _set_from_binary(self, p):
3556 r"""_set_from_binary(Surface self, PyObject * p)"""
3557 return _IMP_core.Surface__set_from_binary(self, p)
3559 def __getstate__(self):
3560 p = self._get_as_binary()
3561 if len(self.__dict__) > 1:
3562 d = self.__dict__.copy()
3567 def __setstate__(self, p):
3568 if not hasattr(self,
'this'):
3570 if isinstance(p, tuple):
3572 self.__dict__.update(d)
3573 return self._set_from_binary(p)
3575 __swig_destroy__ = _IMP_core.delete_Surface
3578 _IMP_core.Surface_swigregister(Surface)
3582 get_height(Surface s, XYZR d) -> double
3583 get_height(Surface s, XYZ d) -> double
3585 return _IMP_core.get_height(*args)
3589 get_depth(Surface s, XYZR d) -> double
3590 get_depth(Surface s, XYZ d) -> double
3592 return _IMP_core.get_depth(*args)
3596 get_distance(XYZ a, XYZ b) -> double
3597 get_distance(XYZR a, XYZR b) -> double
3598 get_distance(Surface s, XYZR d) -> double
3599 get_distance(Surface s, XYZ d) -> double
3601 return _IMP_core.get_distance(*args)
3603 r"""Proxy of C++ IMP::core::SurfaceGeometry class."""
3605 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3607 def __init__(self, *args):
3609 __init__(SurfaceGeometry self, std::string n="SurfaceGeometry") -> SurfaceGeometry
3610 __init__(SurfaceGeometry self, Surface s, std::string const n="SurfaceGeometry") -> SurfaceGeometry
3611 __init__(SurfaceGeometry self, Surface s, Color c, std::string n="SurfaceGeometry") -> SurfaceGeometry
3613 _IMP_core.SurfaceGeometry_swiginit(self, _IMP_core.new_SurfaceGeometry(*args))
3615 def get_geometry(self):
3616 r"""get_geometry(SurfaceGeometry self) -> Surface"""
3617 return _IMP_core.SurfaceGeometry_get_geometry(self)
3619 def set_geometry(self, s):
3620 r"""set_geometry(SurfaceGeometry self, Surface s)"""
3621 return _IMP_core.SurfaceGeometry_set_geometry(self, s)
3623 def get_version_info(self):
3624 r"""get_version_info(SurfaceGeometry self) -> VersionInfo"""
3625 return _IMP_core.SurfaceGeometry_get_version_info(self)
3626 __swig_destroy__ = _IMP_core.delete_SurfaceGeometry
3629 r"""__str__(SurfaceGeometry self) -> std::string"""
3630 return _IMP_core.SurfaceGeometry___str__(self)
3633 r"""__repr__(SurfaceGeometry self) -> std::string"""
3634 return _IMP_core.SurfaceGeometry___repr__(self)
3638 return _object_cast_to_SurfaceGeometry(o)
3642 _IMP_core.SurfaceGeometry_swigregister(SurfaceGeometry)
3645 r"""create_geometry(Surface s, std::string name=std::string("SurfaceGeometry%1%")) -> SurfaceGeometry"""
3646 return _IMP_core.create_geometry(*args)
3648 r"""Proxy of C++ IMP::core::SurfaceGeometryConstraint class."""
3650 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3652 def __init__(self, s, g):
3653 r"""__init__(SurfaceGeometryConstraint self, Surface s, SurfaceGeometry g) -> SurfaceGeometryConstraint"""
3654 _IMP_core.SurfaceGeometryConstraint_swiginit(self, _IMP_core.new_SurfaceGeometryConstraint(s, g))
3656 def get_surface(self):
3657 r"""get_surface(SurfaceGeometryConstraint self) -> Surface"""
3658 return _IMP_core.SurfaceGeometryConstraint_get_surface(self)
3660 def get_geometry(self):
3661 r"""get_geometry(SurfaceGeometryConstraint self) -> SurfaceGeometry"""
3662 return _IMP_core.SurfaceGeometryConstraint_get_geometry(self)
3664 def do_get_inputs(self):
3665 r"""do_get_inputs(SurfaceGeometryConstraint self) -> IMP::ModelObjectsTemp"""
3666 return _IMP_core.SurfaceGeometryConstraint_do_get_inputs(self)
3668 def do_get_outputs(self):
3669 r"""do_get_outputs(SurfaceGeometryConstraint self) -> IMP::ModelObjectsTemp"""
3670 return _IMP_core.SurfaceGeometryConstraint_do_get_outputs(self)
3672 def get_version_info(self):
3673 r"""get_version_info(SurfaceGeometryConstraint self) -> VersionInfo"""
3674 return _IMP_core.SurfaceGeometryConstraint_get_version_info(self)
3675 __swig_destroy__ = _IMP_core.delete_SurfaceGeometryConstraint
3678 r"""__str__(SurfaceGeometryConstraint self) -> std::string"""
3679 return _IMP_core.SurfaceGeometryConstraint___str__(self)
3682 r"""__repr__(SurfaceGeometryConstraint self) -> std::string"""
3683 return _IMP_core.SurfaceGeometryConstraint___repr__(self)
3687 return _object_cast_to_SurfaceGeometryConstraint(o)
3691 _IMP_core.SurfaceGeometryConstraint_swigregister(SurfaceGeometryConstraint)
3694 r"""get_constrained_surface_geometry(Surface s, std::string name="SurfaceGeometry%1%") -> SurfaceGeometry"""
3695 return _IMP_core.get_constrained_surface_geometry(*args)
3697 r"""Proxy of C++ IMP::core::LateralSurfaceConstraint class."""
3699 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3701 def __init__(self, s, d):
3702 r"""__init__(LateralSurfaceConstraint self, Surface s, XYZ d) -> LateralSurfaceConstraint"""
3703 _IMP_core.LateralSurfaceConstraint_swiginit(self, _IMP_core.new_LateralSurfaceConstraint(s, d))
3705 def do_get_inputs(self):
3706 r"""do_get_inputs(LateralSurfaceConstraint self) -> IMP::ModelObjectsTemp"""
3707 return _IMP_core.LateralSurfaceConstraint_do_get_inputs(self)
3709 def do_get_outputs(self):
3710 r"""do_get_outputs(LateralSurfaceConstraint self) -> IMP::ModelObjectsTemp"""
3711 return _IMP_core.LateralSurfaceConstraint_do_get_outputs(self)
3713 def get_version_info(self):
3714 r"""get_version_info(LateralSurfaceConstraint self) -> VersionInfo"""
3715 return _IMP_core.LateralSurfaceConstraint_get_version_info(self)
3716 __swig_destroy__ = _IMP_core.delete_LateralSurfaceConstraint
3719 r"""__str__(LateralSurfaceConstraint self) -> std::string"""
3720 return _IMP_core.LateralSurfaceConstraint___str__(self)
3723 r"""__repr__(LateralSurfaceConstraint self) -> std::string"""
3724 return _IMP_core.LateralSurfaceConstraint___repr__(self)
3728 return _object_cast_to_LateralSurfaceConstraint(o)
3732 _IMP_core.LateralSurfaceConstraint_swigregister(LateralSurfaceConstraint)
3734 r"""Proxy of C++ IMP::core::AngleTripletScore class."""
3736 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3738 def __init__(self, *args):
3740 __init__(AngleTripletScore self, UnaryFunction f) -> AngleTripletScore
3741 __init__(AngleTripletScore self) -> AngleTripletScore
3743 _IMP_core.AngleTripletScore_swiginit(self, _IMP_core.new_AngleTripletScore(*args))
3745 def do_get_inputs(self, m, pis):
3746 r"""do_get_inputs(AngleTripletScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3747 return _IMP_core.AngleTripletScore_do_get_inputs(self, m, pis)
3749 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
3750 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"""
3751 return _IMP_core.AngleTripletScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
3753 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
3754 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"""
3755 return _IMP_core.AngleTripletScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
3757 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
3758 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"""
3759 return _IMP_core.AngleTripletScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
3761 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3762 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"""
3763 return _IMP_core.AngleTripletScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3765 def get_version_info(self):
3766 r"""get_version_info(AngleTripletScore self) -> VersionInfo"""
3767 return _IMP_core.AngleTripletScore_get_version_info(self)
3768 __swig_destroy__ = _IMP_core.delete_AngleTripletScore
3771 r"""__str__(AngleTripletScore self) -> std::string"""
3772 return _IMP_core.AngleTripletScore___str__(self)
3775 r"""__repr__(AngleTripletScore self) -> std::string"""
3776 return _IMP_core.AngleTripletScore___repr__(self)
3780 return _object_cast_to_AngleTripletScore(o)
3783 def _get_as_binary(self):
3784 r"""_get_as_binary(AngleTripletScore self) -> PyObject *"""
3785 return _IMP_core.AngleTripletScore__get_as_binary(self)
3787 def _set_from_binary(self, p):
3788 r"""_set_from_binary(AngleTripletScore self, PyObject * p)"""
3789 return _IMP_core.AngleTripletScore__set_from_binary(self, p)
3791 def __getstate__(self):
3792 p = self._get_as_binary()
3793 if len(self.__dict__) > 1:
3794 d = self.__dict__.copy()
3799 def __setstate__(self, p):
3800 if not hasattr(self,
'this'):
3802 if isinstance(p, tuple):
3804 self.__dict__.update(d)
3805 return self._set_from_binary(p)
3809 _IMP_core.AngleTripletScore_swigregister(AngleTripletScore)
3810 class BallMover(MonteCarloMover):
3811 r"""Proxy of C++ IMP::core::BallMover class."""
3813 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3815 def __init__(self, *args):
3817 __init__(BallMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double radius) -> BallMover
3818 __init__(BallMover self, Model m, ParticleIndex pi, double radius) -> BallMover
3819 __init__(BallMover self, Model m, IMP::ParticleIndexes const & pis, IMP::FloatKeys const & vars, IMP::Float radius) -> BallMover
3820 __init__(BallMover self, Model m, IMP::ParticleIndexes const & pis, IMP::Float radius) -> BallMover
3821 __init__(BallMover self) -> BallMover
3823 _IMP_core.BallMover_swiginit(self, _IMP_core.new_BallMover(*args))
3825 def set_radius(self, radius):
3826 r"""set_radius(BallMover self, IMP::Float radius)"""
3827 return _IMP_core.BallMover_set_radius(self, radius)
3829 def get_radius(self):
3830 r"""get_radius(BallMover self) -> IMP::Float"""
3831 return _IMP_core.BallMover_get_radius(self)
3834 r"""get_indexes(BallMover self) -> IMP::ParticleIndexes"""
3835 return _IMP_core.BallMover_get_indexes(self)
3838 r"""get_keys(BallMover self) -> IMP::FloatKeys"""
3839 return _IMP_core.BallMover_get_keys(self)
3841 def get_version_info(self):
3842 r"""get_version_info(BallMover self) -> VersionInfo"""
3843 return _IMP_core.BallMover_get_version_info(self)
3844 __swig_destroy__ = _IMP_core.delete_BallMover
3847 r"""__str__(BallMover self) -> std::string"""
3848 return _IMP_core.BallMover___str__(self)
3851 r"""__repr__(BallMover self) -> std::string"""
3852 return _IMP_core.BallMover___repr__(self)
3856 return _object_cast_to_BallMover(o)
3859 def _get_as_binary(self):
3860 r"""_get_as_binary(BallMover self) -> PyObject *"""
3861 return _IMP_core.BallMover__get_as_binary(self)
3863 def _set_from_binary(self, p):
3864 r"""_set_from_binary(BallMover self, PyObject * p)"""
3865 return _IMP_core.BallMover__set_from_binary(self, p)
3867 def __getstate__(self):
3868 p = self._get_as_binary()
3869 if len(self.__dict__) > 1:
3870 d = self.__dict__.copy()
3875 def __setstate__(self, p):
3876 if not hasattr(self,
'this'):
3878 if isinstance(p, tuple):
3880 self.__dict__.update(d)
3881 return self._set_from_binary(p)
3886 from IMP.algebra._jax_util
import get_random_vector_in_3d_sphere
3887 indexes = self.get_indexes()
3888 keys = frozenset(self.get_keys())
3890 raise NotImplementedError(
"Only works for XYZ")
3891 radius = self.get_radius()
3896 def propose_func(jm, key):
3897 key, subkey = jax.random.split(key)
3898 v = get_random_vector_in_3d_sphere(subkey, radius)
3899 jm[
'xyz'] = jm[
'xyz'].at[indexes].add(v)
3901 return self._wrap_jax(init_func, propose_func)
3905 _IMP_core.BallMover_swigregister(BallMover)
3906 class SerialMover(MonteCarloMover):
3907 r"""Proxy of C++ IMP::core::SerialMover class."""
3909 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3911 def __init__(self, *args):
3913 __init__(SerialMover self, IMP::core::MonteCarloMoversTemp const & mvs) -> SerialMover
3914 __init__(SerialMover self) -> SerialMover
3916 _IMP_core.SerialMover_swiginit(self, _IMP_core.new_SerialMover(*args))
3918 def get_movers(self):
3919 r"""get_movers(SerialMover self) -> IMP::core::MonteCarloMovers const &"""
3920 return _IMP_core.SerialMover_get_movers(self)
3922 def get_version_info(self):
3923 r"""get_version_info(SerialMover self) -> VersionInfo"""
3924 return _IMP_core.SerialMover_get_version_info(self)
3925 __swig_destroy__ = _IMP_core.delete_SerialMover
3928 r"""__str__(SerialMover self) -> std::string"""
3929 return _IMP_core.SerialMover___str__(self)
3932 r"""__repr__(SerialMover self) -> std::string"""
3933 return _IMP_core.SerialMover___repr__(self)
3937 return _object_cast_to_SerialMover(o)
3940 def _get_as_binary(self):
3941 r"""_get_as_binary(SerialMover self) -> PyObject *"""
3942 return _IMP_core.SerialMover__get_as_binary(self)
3944 def _set_from_binary(self, p):
3945 r"""_set_from_binary(SerialMover self, PyObject * p)"""
3946 return _IMP_core.SerialMover__set_from_binary(self, p)
3948 def __getstate__(self):
3949 p = self._get_as_binary()
3950 if len(self.__dict__) > 1:
3951 d = self.__dict__.copy()
3956 def __setstate__(self, p):
3957 if not hasattr(self,
'this'):
3959 if isinstance(p, tuple):
3961 self.__dict__.update(d)
3962 return self._set_from_binary(p)
3968 from IMP.core._jax_util
import _SerialMover
3969 movers = [m.get_derived_object()._get_jax()
3970 for m
in self.get_movers()]
3972 def sub_propose_func(jm, sms, i):
3973 """Call the propose_func of the ith mover"""
3974 jm, sms.mover_state[i], ratio = movers[i].propose_func(
3975 jm, sms.mover_state[i])
3976 return jm, sms, ratio
3978 sub_propose_funcs = [functools.partial(sub_propose_func, i=i)
3979 for i
in range(len(movers))]
3985 key, subkey = jax.random.split(key)
3986 mover_state.append(m.init_func(subkey))
3987 return _SerialMover(imov=-1, mover_state=mover_state)
3989 def propose_func(jm, sms):
3990 sms.imov = jax.lax.min(sms.imov + 1, len(movers) - 1)
3991 return jax.lax.switch(sms.imov, sub_propose_funcs, jm, sms)
3992 return self._wrap_jax(init_func, propose_func)
3996 _IMP_core.SerialMover_swigregister(SerialMover)
3997 class SubsetMover(MonteCarloMover):
3998 r"""Proxy of C++ IMP::core::SubsetMover class."""
4000 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4002 def __init__(self, *args):
4004 __init__(SubsetMover self, IMP::core::MonteCarloMoversTemp const & mvs, unsigned int n) -> SubsetMover
4005 __init__(SubsetMover self) -> SubsetMover
4007 _IMP_core.SubsetMover_swiginit(self, _IMP_core.new_SubsetMover(*args))
4009 def get_movers(self):
4010 r"""get_movers(SubsetMover self) -> IMP::core::MonteCarloMovers const &"""
4011 return _IMP_core.SubsetMover_get_movers(self)
4013 def get_subset_size(self):
4014 r"""get_subset_size(SubsetMover self) -> unsigned int"""
4015 return _IMP_core.SubsetMover_get_subset_size(self)
4017 def get_version_info(self):
4018 r"""get_version_info(SubsetMover self) -> VersionInfo"""
4019 return _IMP_core.SubsetMover_get_version_info(self)
4020 __swig_destroy__ = _IMP_core.delete_SubsetMover
4023 r"""__str__(SubsetMover self) -> std::string"""
4024 return _IMP_core.SubsetMover___str__(self)
4027 r"""__repr__(SubsetMover self) -> std::string"""
4028 return _IMP_core.SubsetMover___repr__(self)
4032 return _object_cast_to_SubsetMover(o)
4035 def _get_as_binary(self):
4036 r"""_get_as_binary(SubsetMover self) -> PyObject *"""
4037 return _IMP_core.SubsetMover__get_as_binary(self)
4039 def _set_from_binary(self, p):
4040 r"""_set_from_binary(SubsetMover self, PyObject * p)"""
4041 return _IMP_core.SubsetMover__set_from_binary(self, p)
4043 def __getstate__(self):
4044 p = self._get_as_binary()
4045 if len(self.__dict__) > 1:
4046 d = self.__dict__.copy()
4051 def __setstate__(self, p):
4052 if not hasattr(self,
'this'):
4054 if isinstance(p, tuple):
4056 self.__dict__.update(d)
4057 return self._set_from_binary(p)
4061 _IMP_core.SubsetMover_swigregister(SubsetMover)
4062 class DirectionMover(MonteCarloMover):
4063 r"""Proxy of C++ IMP::core::DirectionMover class."""
4065 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4067 def __init__(self, *args):
4069 __init__(DirectionMover self, Model m, ParticleIndex pi, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4070 __init__(DirectionMover self, Direction d, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4071 __init__(DirectionMover self) -> DirectionMover
4073 _IMP_core.DirectionMover_swiginit(self, _IMP_core.new_DirectionMover(*args))
4075 def set_maximum_rotation(self, mr):
4076 r"""set_maximum_rotation(DirectionMover self, IMP::Float mr)"""
4077 return _IMP_core.DirectionMover_set_maximum_rotation(self, mr)
4079 def set_reflect_probability(self, rp):
4080 r"""set_reflect_probability(DirectionMover self, IMP::Float rp)"""
4081 return _IMP_core.DirectionMover_set_reflect_probability(self, rp)
4083 def get_maximum_rotation(self):
4084 r"""get_maximum_rotation(DirectionMover self) -> IMP::Float"""
4085 return _IMP_core.DirectionMover_get_maximum_rotation(self)
4087 def get_reflect_probability(self):
4088 r"""get_reflect_probability(DirectionMover self) -> IMP::Float"""
4089 return _IMP_core.DirectionMover_get_reflect_probability(self)
4091 def get_direction(self):
4092 r"""get_direction(DirectionMover self) -> Direction"""
4093 return _IMP_core.DirectionMover_get_direction(self)
4095 def get_version_info(self):
4096 r"""get_version_info(DirectionMover self) -> VersionInfo"""
4097 return _IMP_core.DirectionMover_get_version_info(self)
4098 __swig_destroy__ = _IMP_core.delete_DirectionMover
4101 r"""__str__(DirectionMover self) -> std::string"""
4102 return _IMP_core.DirectionMover___str__(self)
4105 r"""__repr__(DirectionMover self) -> std::string"""
4106 return _IMP_core.DirectionMover___repr__(self)
4110 return _object_cast_to_DirectionMover(o)
4113 def _get_as_binary(self):
4114 r"""_get_as_binary(DirectionMover self) -> PyObject *"""
4115 return _IMP_core.DirectionMover__get_as_binary(self)
4117 def _set_from_binary(self, p):
4118 r"""_set_from_binary(DirectionMover self, PyObject * p)"""
4119 return _IMP_core.DirectionMover__set_from_binary(self, p)
4121 def __getstate__(self):
4122 p = self._get_as_binary()
4123 if len(self.__dict__) > 1:
4124 d = self.__dict__.copy()
4129 def __setstate__(self, p):
4130 if not hasattr(self,
'this'):
4132 if isinstance(p, tuple):
4134 self.__dict__.update(d)
4135 return self._set_from_binary(p)
4139 _IMP_core.DirectionMover_swigregister(DirectionMover)
4140 class SurfaceMover(MonteCarloMover):
4141 r"""Proxy of C++ IMP::core::SurfaceMover class."""
4143 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4145 def __init__(self, *args):
4147 __init__(SurfaceMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4148 __init__(SurfaceMover self, Surface s, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4149 __init__(SurfaceMover self) -> SurfaceMover
4151 _IMP_core.SurfaceMover_swiginit(self, _IMP_core.new_SurfaceMover(*args))
4153 def set_maximum_translation(self, mt):
4154 r"""set_maximum_translation(SurfaceMover self, IMP::Float mt)"""
4155 return _IMP_core.SurfaceMover_set_maximum_translation(self, mt)
4157 def set_maximum_rotation(self, mr):
4158 r"""set_maximum_rotation(SurfaceMover self, IMP::Float mr)"""
4159 return _IMP_core.SurfaceMover_set_maximum_rotation(self, mr)
4161 def set_reflect_probability(self, rp):
4162 r"""set_reflect_probability(SurfaceMover self, IMP::Float rp)"""
4163 return _IMP_core.SurfaceMover_set_reflect_probability(self, rp)
4165 def get_maximum_translation(self):
4166 r"""get_maximum_translation(SurfaceMover self) -> IMP::Float"""
4167 return _IMP_core.SurfaceMover_get_maximum_translation(self)
4169 def get_maximum_rotation(self):
4170 r"""get_maximum_rotation(SurfaceMover self) -> IMP::Float"""
4171 return _IMP_core.SurfaceMover_get_maximum_rotation(self)
4173 def get_reflect_probability(self):
4174 r"""get_reflect_probability(SurfaceMover self) -> IMP::Float"""
4175 return _IMP_core.SurfaceMover_get_reflect_probability(self)
4177 def get_surface(self):
4178 r"""get_surface(SurfaceMover self) -> Surface"""
4179 return _IMP_core.SurfaceMover_get_surface(self)
4181 def get_version_info(self):
4182 r"""get_version_info(SurfaceMover self) -> VersionInfo"""
4183 return _IMP_core.SurfaceMover_get_version_info(self)
4184 __swig_destroy__ = _IMP_core.delete_SurfaceMover
4187 r"""__str__(SurfaceMover self) -> std::string"""
4188 return _IMP_core.SurfaceMover___str__(self)
4191 r"""__repr__(SurfaceMover self) -> std::string"""
4192 return _IMP_core.SurfaceMover___repr__(self)
4196 return _object_cast_to_SurfaceMover(o)
4199 def _get_as_binary(self):
4200 r"""_get_as_binary(SurfaceMover self) -> PyObject *"""
4201 return _IMP_core.SurfaceMover__get_as_binary(self)
4203 def _set_from_binary(self, p):
4204 r"""_set_from_binary(SurfaceMover self, PyObject * p)"""
4205 return _IMP_core.SurfaceMover__set_from_binary(self, p)
4207 def __getstate__(self):
4208 p = self._get_as_binary()
4209 if len(self.__dict__) > 1:
4210 d = self.__dict__.copy()
4215 def __setstate__(self, p):
4216 if not hasattr(self,
'this'):
4218 if isinstance(p, tuple):
4220 self.__dict__.update(d)
4221 return self._set_from_binary(p)
4225 _IMP_core.SurfaceMover_swigregister(SurfaceMover)
4226 class BoxSweepClosePairsFinder(ClosePairsFinder):
4227 r"""Proxy of C++ IMP::core::BoxSweepClosePairsFinder class."""
4229 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4232 r"""__init__(BoxSweepClosePairsFinder self) -> BoxSweepClosePairsFinder"""
4233 _IMP_core.BoxSweepClosePairsFinder_swiginit(self, _IMP_core.new_BoxSweepClosePairsFinder())
4235 def get_close_pairs(self, *args):
4237 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4238 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4239 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
4240 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
4242 return _IMP_core.BoxSweepClosePairsFinder_get_close_pairs(self, *args)
4244 def do_get_inputs(self, m, pis):
4245 r"""do_get_inputs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4246 return _IMP_core.BoxSweepClosePairsFinder_do_get_inputs(self, m, pis)
4248 def get_version_info(self):
4249 r"""get_version_info(BoxSweepClosePairsFinder self) -> VersionInfo"""
4250 return _IMP_core.BoxSweepClosePairsFinder_get_version_info(self)
4251 __swig_destroy__ = _IMP_core.delete_BoxSweepClosePairsFinder
4254 r"""__str__(BoxSweepClosePairsFinder self) -> std::string"""
4255 return _IMP_core.BoxSweepClosePairsFinder___str__(self)
4258 r"""__repr__(BoxSweepClosePairsFinder self) -> std::string"""
4259 return _IMP_core.BoxSweepClosePairsFinder___repr__(self)
4263 return _object_cast_to_BoxSweepClosePairsFinder(o)
4267 _IMP_core.BoxSweepClosePairsFinder_swigregister(BoxSweepClosePairsFinder)
4269 r"""Proxy of C++ IMP::core::CentroidOfRefined class."""
4271 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4273 def __init__(self, *args):
4274 r"""__init__(CentroidOfRefined self, Refiner r, FloatKey weight=IMP::FloatKey(), IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> CentroidOfRefined"""
4275 _IMP_core.CentroidOfRefined_swiginit(self, _IMP_core.new_CentroidOfRefined(*args))
4277 def get_refiner(self):
4278 r"""get_refiner(CentroidOfRefined self) -> Refiner"""
4279 return _IMP_core.CentroidOfRefined_get_refiner(self)
4281 def get_weight(self):
4282 r"""get_weight(CentroidOfRefined self) -> FloatKey"""
4283 return _IMP_core.CentroidOfRefined_get_weight(self)
4286 r"""get_keys(CentroidOfRefined self) -> IMP::FloatKeys"""
4287 return _IMP_core.CentroidOfRefined_get_keys(self)
4289 def get_is_weight_null(self):
4290 r"""get_is_weight_null(CentroidOfRefined self) -> bool"""
4291 return _IMP_core.CentroidOfRefined_get_is_weight_null(self)
4293 def do_get_inputs(self, m, pis):
4294 r"""do_get_inputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4295 return _IMP_core.CentroidOfRefined_do_get_inputs(self, m, pis)
4297 def do_get_outputs(self, m, pis):
4298 r"""do_get_outputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4299 return _IMP_core.CentroidOfRefined_do_get_outputs(self, m, pis)
4301 def get_version_info(self):
4302 r"""get_version_info(CentroidOfRefined self) -> VersionInfo"""
4303 return _IMP_core.CentroidOfRefined_get_version_info(self)
4304 __swig_destroy__ = _IMP_core.delete_CentroidOfRefined
4307 r"""__str__(CentroidOfRefined self) -> std::string"""
4308 return _IMP_core.CentroidOfRefined___str__(self)
4311 r"""__repr__(CentroidOfRefined self) -> std::string"""
4312 return _IMP_core.CentroidOfRefined___repr__(self)
4316 return _object_cast_to_CentroidOfRefined(o)
4319 def _get_jax(self, m, indexes):
4320 import jax.numpy
as jnp
4323 for index
in indexes]
4325 def apply_func_unweighted(jm):
4326 for ind, ref
in zip(indexes, refined):
4328 jm[
'xyz'] = xyz.at[ind].set(jnp.average(xyz[ref], axis=0))
4331 def apply_func_weighted(jm, weight_key):
4332 for ind, ref
in zip(indexes, refined):
4334 weights = jm[weight_key][ref]
4335 jm[
'xyz'] = xyz.at[ind].set(
4336 jnp.average(xyz[ref], axis=0, weights=weights))
4339 keys = frozenset(self.get_keys())
4341 raise NotImplementedError(
"Only works for XYZ")
4343 if self.get_is_weight_null():
4344 return self._wrap_jax(apply_func_unweighted)
4346 weight_key = self.get_weight()
4347 return self._wrap_jax(
4348 functools.partial(apply_func_weighted,
4349 weight_key=weight_key.get_string()),
4354 _IMP_core.CentroidOfRefined_swigregister(CentroidOfRefined)
4355 class Centroid(XYZ):
4356 r"""Proxy of C++ IMP::core::Centroid class."""
4358 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4360 def get_constraint(self):
4361 r"""get_constraint(Centroid self) -> Constraint"""
4362 return _IMP_core.Centroid_get_constraint(self)
4364 def __init__(self, *args):
4366 __init__(Centroid self) -> Centroid
4367 __init__(Centroid self, Model m, ParticleIndex id) -> Centroid
4368 __init__(Centroid self, _ParticleAdaptor d) -> Centroid
4370 _IMP_core.Centroid_swiginit(self, _IMP_core.new_Centroid(*args))
4372 def show(self, *args):
4373 r"""show(Centroid self, _ostream out=std::cout)"""
4374 return _IMP_core.Centroid_show(self, *args)
4377 def setup_particle(*args):
4379 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Centroid
4380 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Centroid
4381 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Centroid
4382 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Centroid
4384 return _IMP_core.Centroid_setup_particle(*args)
4387 def get_is_setup(*args):
4389 get_is_setup(_ParticleAdaptor p) -> bool
4390 get_is_setup(Model m, ParticleIndex pi) -> bool
4392 return _IMP_core.Centroid_get_is_setup(*args)
4394 def add_attribute(self, *args):
4396 add_attribute(Centroid self, FloatKey k, IMP::Float v, bool opt)
4397 add_attribute(Centroid self, FloatKey a0, IMP::Float a1)
4398 add_attribute(Centroid self, IntKey a0, IMP::Int a1)
4399 add_attribute(Centroid self, FloatsKey a0, IMP::Floats a1)
4400 add_attribute(Centroid self, IntsKey a0, IMP::Ints a1)
4401 add_attribute(Centroid self, StringKey a0, IMP::String a1)
4402 add_attribute(Centroid self, ParticleIndexKey a0, Particle a1)
4403 add_attribute(Centroid self, ObjectKey a0, Object a1)
4404 add_attribute(Centroid self, SparseFloatKey a0, IMP::Float a1)
4405 add_attribute(Centroid self, SparseIntKey a0, IMP::Int a1)
4406 add_attribute(Centroid self, SparseStringKey a0, IMP::String a1)
4407 add_attribute(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4409 return _IMP_core.Centroid_add_attribute(self, *args)
4411 def get_value(self, *args):
4413 get_value(Centroid self, FloatKey a0) -> IMP::Float
4414 get_value(Centroid self, IntKey a0) -> IMP::Int
4415 get_value(Centroid self, FloatsKey a0) -> IMP::Floats
4416 get_value(Centroid self, IntsKey a0) -> IMP::Ints
4417 get_value(Centroid self, StringKey a0) -> IMP::String
4418 get_value(Centroid self, ParticleIndexKey a0) -> Particle
4419 get_value(Centroid self, ObjectKey a0) -> Object
4420 get_value(Centroid self, SparseFloatKey a0) -> IMP::Float
4421 get_value(Centroid self, SparseIntKey a0) -> IMP::Int
4422 get_value(Centroid self, SparseStringKey a0) -> IMP::String
4423 get_value(Centroid self, SparseParticleIndexKey a0) -> ParticleIndex
4425 return _IMP_core.Centroid_get_value(self, *args)
4427 def set_value(self, *args):
4429 set_value(Centroid self, FloatKey a0, IMP::Float a1)
4430 set_value(Centroid self, IntKey a0, IMP::Int a1)
4431 set_value(Centroid self, FloatsKey a0, IMP::Floats a1)
4432 set_value(Centroid self, IntsKey a0, IMP::Ints a1)
4433 set_value(Centroid self, StringKey a0, IMP::String a1)
4434 set_value(Centroid self, ParticleIndexKey a0, Particle a1)
4435 set_value(Centroid self, ObjectKey a0, Object a1)
4436 set_value(Centroid self, SparseFloatKey a0, IMP::Float a1)
4437 set_value(Centroid self, SparseIntKey a0, IMP::Int a1)
4438 set_value(Centroid self, SparseStringKey a0, IMP::String a1)
4439 set_value(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4441 return _IMP_core.Centroid_set_value(self, *args)
4443 def remove_attribute(self, *args):
4445 remove_attribute(Centroid self, FloatKey a0)
4446 remove_attribute(Centroid self, IntKey a0)
4447 remove_attribute(Centroid self, FloatsKey a0)
4448 remove_attribute(Centroid self, IntsKey a0)
4449 remove_attribute(Centroid self, StringKey a0)
4450 remove_attribute(Centroid self, ParticleIndexKey a0)
4451 remove_attribute(Centroid self, ObjectKey a0)
4452 remove_attribute(Centroid self, SparseFloatKey a0)
4453 remove_attribute(Centroid self, SparseIntKey a0)
4454 remove_attribute(Centroid self, SparseStringKey a0)
4455 remove_attribute(Centroid self, SparseParticleIndexKey a0)
4457 return _IMP_core.Centroid_remove_attribute(self, *args)
4459 def has_attribute(self, *args):
4461 has_attribute(Centroid self, FloatKey a0) -> bool
4462 has_attribute(Centroid self, IntKey a0) -> bool
4463 has_attribute(Centroid self, FloatsKey a0) -> bool
4464 has_attribute(Centroid self, IntsKey a0) -> bool
4465 has_attribute(Centroid self, StringKey a0) -> bool
4466 has_attribute(Centroid self, ParticleIndexKey a0) -> bool
4467 has_attribute(Centroid self, ObjectKey a0) -> bool
4468 has_attribute(Centroid self, SparseFloatKey a0) -> bool
4469 has_attribute(Centroid self, SparseIntKey a0) -> bool
4470 has_attribute(Centroid self, SparseStringKey a0) -> bool
4471 has_attribute(Centroid self, SparseParticleIndexKey a0) -> bool
4473 return _IMP_core.Centroid_has_attribute(self, *args)
4475 def get_derivative(self, a0):
4476 r"""get_derivative(Centroid self, FloatKey a0) -> double"""
4477 return _IMP_core.Centroid_get_derivative(self, a0)
4480 r"""get_name(Centroid self) -> std::string"""
4481 return _IMP_core.Centroid_get_name(self)
4483 def clear_caches(self):
4484 r"""clear_caches(Centroid self)"""
4485 return _IMP_core.Centroid_clear_caches(self)
4487 def set_name(self, a0):
4488 r"""set_name(Centroid self, std::string a0)"""
4489 return _IMP_core.Centroid_set_name(self, a0)
4492 r"""set_check_level(Centroid self, IMP::CheckLevel a0)"""
4493 return _IMP_core.Centroid_set_check_level(self, a0)
4495 def add_to_derivative(self, a0, a1, a2):
4496 r"""add_to_derivative(Centroid self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4497 return _IMP_core.Centroid_add_to_derivative(self, a0, a1, a2)
4499 def set_is_optimized(self, a0, a1):
4500 r"""set_is_optimized(Centroid self, FloatKey a0, bool a1)"""
4501 return _IMP_core.Centroid_set_is_optimized(self, a0, a1)
4503 def get_is_optimized(self, a0):
4504 r"""get_is_optimized(Centroid self, FloatKey a0) -> bool"""
4505 return _IMP_core.Centroid_get_is_optimized(self, a0)
4508 r"""get_check_level(Centroid self) -> IMP::CheckLevel"""
4509 return _IMP_core.Centroid_get_check_level(self)
4511 def __eq__(self, *args):
4513 __eq__(Centroid self, Centroid o) -> bool
4514 __eq__(Centroid self, Particle d) -> bool
4516 return _IMP_core.Centroid___eq__(self, *args)
4518 def __ne__(self, *args):
4520 __ne__(Centroid self, Centroid o) -> bool
4521 __ne__(Centroid self, Particle d) -> bool
4523 return _IMP_core.Centroid___ne__(self, *args)
4525 def __le__(self, *args):
4527 __le__(Centroid self, Centroid o) -> bool
4528 __le__(Centroid self, Particle d) -> bool
4530 return _IMP_core.Centroid___le__(self, *args)
4532 def __lt__(self, *args):
4534 __lt__(Centroid self, Centroid o) -> bool
4535 __lt__(Centroid self, Particle d) -> bool
4537 return _IMP_core.Centroid___lt__(self, *args)
4539 def __ge__(self, *args):
4541 __ge__(Centroid self, Centroid o) -> bool
4542 __ge__(Centroid self, Particle d) -> bool
4544 return _IMP_core.Centroid___ge__(self, *args)
4546 def __gt__(self, *args):
4548 __gt__(Centroid self, Centroid o) -> bool
4549 __gt__(Centroid self, Particle d) -> bool
4551 return _IMP_core.Centroid___gt__(self, *args)
4554 r"""__hash__(Centroid self) -> std::size_t"""
4555 return _IMP_core.Centroid___hash__(self)
4558 r"""__str__(Centroid self) -> std::string"""
4559 return _IMP_core.Centroid___str__(self)
4562 r"""__repr__(Centroid self) -> std::string"""
4563 return _IMP_core.Centroid___repr__(self)
4565 def _get_as_binary(self):
4566 r"""_get_as_binary(Centroid self) -> PyObject *"""
4567 return _IMP_core.Centroid__get_as_binary(self)
4569 def _set_from_binary(self, p):
4570 r"""_set_from_binary(Centroid self, PyObject * p)"""
4571 return _IMP_core.Centroid__set_from_binary(self, p)
4573 def __getstate__(self):
4574 p = self._get_as_binary()
4575 if len(self.__dict__) > 1:
4576 d = self.__dict__.copy()
4581 def __setstate__(self, p):
4582 if not hasattr(self,
'this'):
4584 if isinstance(p, tuple):
4586 self.__dict__.update(d)
4587 return self._set_from_binary(p)
4589 __swig_destroy__ = _IMP_core.delete_Centroid
4592 _IMP_core.Centroid_swigregister(Centroid)
4594 r"""Proxy of C++ IMP::core::ChecksScoreState class."""
4596 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4598 def __init__(self, *args):
4600 __init__(ChecksScoreState self, Model m, double probability) -> ChecksScoreState
4601 __init__(ChecksScoreState self) -> ChecksScoreState
4603 _IMP_core.ChecksScoreState_swiginit(self, _IMP_core.new_ChecksScoreState(*args))
4605 def get_number_of_checked(self):
4606 r"""get_number_of_checked(ChecksScoreState self) -> unsigned int"""
4607 return _IMP_core.ChecksScoreState_get_number_of_checked(self)
4609 def do_before_evaluate(self):
4610 r"""do_before_evaluate(ChecksScoreState self)"""
4611 return _IMP_core.ChecksScoreState_do_before_evaluate(self)
4613 def do_after_evaluate(self, da):
4614 r"""do_after_evaluate(ChecksScoreState self, DerivativeAccumulator da)"""
4615 return _IMP_core.ChecksScoreState_do_after_evaluate(self, da)
4617 def do_get_outputs(self):
4618 r"""do_get_outputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4619 return _IMP_core.ChecksScoreState_do_get_outputs(self)
4621 def do_get_inputs(self):
4622 r"""do_get_inputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4623 return _IMP_core.ChecksScoreState_do_get_inputs(self)
4625 def get_version_info(self):
4626 r"""get_version_info(ChecksScoreState self) -> VersionInfo"""
4627 return _IMP_core.ChecksScoreState_get_version_info(self)
4628 __swig_destroy__ = _IMP_core.delete_ChecksScoreState
4631 r"""__str__(ChecksScoreState self) -> std::string"""
4632 return _IMP_core.ChecksScoreState___str__(self)
4635 r"""__repr__(ChecksScoreState self) -> std::string"""
4636 return _IMP_core.ChecksScoreState___repr__(self)
4640 return _object_cast_to_ChecksScoreState(o)
4643 def _get_as_binary(self):
4644 r"""_get_as_binary(ChecksScoreState self) -> PyObject *"""
4645 return _IMP_core.ChecksScoreState__get_as_binary(self)
4647 def _set_from_binary(self, p):
4648 r"""_set_from_binary(ChecksScoreState self, PyObject * p)"""
4649 return _IMP_core.ChecksScoreState__set_from_binary(self, p)
4651 def __getstate__(self):
4652 p = self._get_as_binary()
4653 if len(self.__dict__) > 1:
4654 d = self.__dict__.copy()
4659 def __setstate__(self, p):
4660 if not hasattr(self,
'this'):
4662 if isinstance(p, tuple):
4664 self.__dict__.update(d)
4665 return self._set_from_binary(p)
4669 _IMP_core.ChecksScoreState_swigregister(ChecksScoreState)
4671 r"""Proxy of C++ IMP::core::ChildrenRefiner class."""
4673 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4675 def __init__(self, tr):
4676 r"""__init__(ChildrenRefiner self, HierarchyTraits tr) -> ChildrenRefiner"""
4677 _IMP_core.ChildrenRefiner_swiginit(self, _IMP_core.new_ChildrenRefiner(tr))
4679 def do_get_inputs(self, m, pis):
4680 r"""do_get_inputs(ChildrenRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4681 return _IMP_core.ChildrenRefiner_do_get_inputs(self, m, pis)
4683 def get_version_info(self):
4684 r"""get_version_info(ChildrenRefiner self) -> VersionInfo"""
4685 return _IMP_core.ChildrenRefiner_get_version_info(self)
4686 __swig_destroy__ = _IMP_core.delete_ChildrenRefiner
4689 r"""__str__(ChildrenRefiner self) -> std::string"""
4690 return _IMP_core.ChildrenRefiner___str__(self)
4693 r"""__repr__(ChildrenRefiner self) -> std::string"""
4694 return _IMP_core.ChildrenRefiner___repr__(self)
4698 return _object_cast_to_ChildrenRefiner(o)
4702 _IMP_core.ChildrenRefiner_swigregister(ChildrenRefiner)
4704 r"""Proxy of C++ IMP::core::ClosedCubicSpline class."""
4706 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4708 def __init__(self, values, minrange, spacing):
4709 r"""__init__(ClosedCubicSpline self, IMP::Floats const & values, double minrange, double spacing) -> ClosedCubicSpline"""
4710 _IMP_core.ClosedCubicSpline_swiginit(self, _IMP_core.new_ClosedCubicSpline(values, minrange, spacing))
4712 def get_version_info(self):
4713 r"""get_version_info(ClosedCubicSpline self) -> VersionInfo"""
4714 return _IMP_core.ClosedCubicSpline_get_version_info(self)
4715 __swig_destroy__ = _IMP_core.delete_ClosedCubicSpline
4717 def do_show(self, out):
4718 r"""do_show(ClosedCubicSpline self, _ostream out)"""
4719 return _IMP_core.ClosedCubicSpline_do_show(self, out)
4721 def get_minrange(self):
4722 r"""get_minrange(ClosedCubicSpline self) -> IMP::Float"""
4723 return _IMP_core.ClosedCubicSpline_get_minrange(self)
4725 def get_spacing(self):
4726 r"""get_spacing(ClosedCubicSpline self) -> IMP::Float"""
4727 return _IMP_core.ClosedCubicSpline_get_spacing(self)
4729 def get_values(self):
4730 r"""get_values(ClosedCubicSpline self) -> IMP::Floats"""
4731 return _IMP_core.ClosedCubicSpline_get_values(self)
4733 def get_second_derivatives(self):
4734 r"""get_second_derivatives(ClosedCubicSpline self) -> IMP::Floats"""
4735 return _IMP_core.ClosedCubicSpline_get_second_derivatives(self)
4738 r"""__str__(ClosedCubicSpline self) -> std::string"""
4739 return _IMP_core.ClosedCubicSpline___str__(self)
4742 r"""__repr__(ClosedCubicSpline self) -> std::string"""
4743 return _IMP_core.ClosedCubicSpline___repr__(self)
4747 return _object_cast_to_ClosedCubicSpline(o)
4751 import jax.numpy
as jnp
4752 from IMP.core._jax_util
import _spline
4753 def score(feature, minrange, spacing, values, second_derivs):
4755 lowbin = jnp.array((feature - minrange) / spacing, dtype=int)
4757 highbin = jnp.remainder(lowbin + 1, len(values))
4758 return _spline(feature, minrange, lowbin, highbin, spacing,
4759 values, second_derivs)
4760 return functools.partial(
4761 score, minrange=self.get_minrange(),
4762 spacing=self.get_spacing(), values=jnp.asarray(self.get_values()),
4763 second_derivs=jnp.asarray(self.get_second_derivatives()))
4767 _IMP_core.ClosedCubicSpline_swigregister(ClosedCubicSpline)
4769 r"""Proxy of C++ IMP::core::KClosePairsPairScore class."""
4771 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4773 def __init__(self, f, r, k=1):
4774 r"""__init__(KClosePairsPairScore self, PairScore f, Refiner r, int k=1) -> KClosePairsPairScore"""
4775 _IMP_core.KClosePairsPairScore_swiginit(self, _IMP_core.new_KClosePairsPairScore(f, r, k))
4777 def get_close_pairs(self, pp):
4778 r"""get_close_pairs(KClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
4779 return _IMP_core.KClosePairsPairScore_get_close_pairs(self, pp)
4781 def create_current_decomposition(self, m, vt):
4782 r"""create_current_decomposition(KClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
4783 return _IMP_core.KClosePairsPairScore_create_current_decomposition(self, m, vt)
4785 def do_get_inputs(self, m, pis):
4786 r"""do_get_inputs(KClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4787 return _IMP_core.KClosePairsPairScore_do_get_inputs(self, m, pis)
4789 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4790 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"""
4791 return _IMP_core.KClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4793 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4794 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"""
4795 return _IMP_core.KClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4797 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4798 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"""
4799 return _IMP_core.KClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4801 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4802 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"""
4803 return _IMP_core.KClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4805 def get_version_info(self):
4806 r"""get_version_info(KClosePairsPairScore self) -> VersionInfo"""
4807 return _IMP_core.KClosePairsPairScore_get_version_info(self)
4808 __swig_destroy__ = _IMP_core.delete_KClosePairsPairScore
4811 r"""__str__(KClosePairsPairScore self) -> std::string"""
4812 return _IMP_core.KClosePairsPairScore___str__(self)
4815 r"""__repr__(KClosePairsPairScore self) -> std::string"""
4816 return _IMP_core.KClosePairsPairScore___repr__(self)
4820 return _object_cast_to_KClosePairsPairScore(o)
4824 _IMP_core.KClosePairsPairScore_swigregister(KClosePairsPairScore)
4826 r"""Proxy of C++ IMP::core::ClosePairsPairScore class."""
4828 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4830 def __init__(self, f, r, max_distance):
4831 r"""__init__(ClosePairsPairScore self, PairScore f, Refiner r, IMP::Float max_distance) -> ClosePairsPairScore"""
4832 _IMP_core.ClosePairsPairScore_swiginit(self, _IMP_core.new_ClosePairsPairScore(f, r, max_distance))
4834 def get_close_pairs(self, pp):
4835 r"""get_close_pairs(ClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
4836 return _IMP_core.ClosePairsPairScore_get_close_pairs(self, pp)
4838 def create_current_decomposition(self, m, vt):
4839 r"""create_current_decomposition(ClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
4840 return _IMP_core.ClosePairsPairScore_create_current_decomposition(self, m, vt)
4842 def do_get_inputs(self, m, pis):
4843 r"""do_get_inputs(ClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4844 return _IMP_core.ClosePairsPairScore_do_get_inputs(self, m, pis)
4846 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4847 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"""
4848 return _IMP_core.ClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4850 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4851 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"""
4852 return _IMP_core.ClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4854 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4855 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"""
4856 return _IMP_core.ClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4858 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4859 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"""
4860 return _IMP_core.ClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4862 def get_version_info(self):
4863 r"""get_version_info(ClosePairsPairScore self) -> VersionInfo"""
4864 return _IMP_core.ClosePairsPairScore_get_version_info(self)
4865 __swig_destroy__ = _IMP_core.delete_ClosePairsPairScore
4868 r"""__str__(ClosePairsPairScore self) -> std::string"""
4869 return _IMP_core.ClosePairsPairScore___str__(self)
4872 r"""__repr__(ClosePairsPairScore self) -> std::string"""
4873 return _IMP_core.ClosePairsPairScore___repr__(self)
4877 return _object_cast_to_ClosePairsPairScore(o)
4881 _IMP_core.ClosePairsPairScore_swigregister(ClosePairsPairScore)
4883 r"""Proxy of C++ IMP::core::ConjugateGradients class."""
4885 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4887 def __init__(self, *args):
4889 __init__(ConjugateGradients self, Model m, std::string name="ConjugateGradients%1%") -> ConjugateGradients
4890 __init__(ConjugateGradients self) -> ConjugateGradients
4892 _IMP_core.ConjugateGradients_swiginit(self, _IMP_core.new_ConjugateGradients(*args))
4894 def set_gradient_threshold(self, t):
4895 r"""set_gradient_threshold(ConjugateGradients self, IMP::Float t)"""
4896 return _IMP_core.ConjugateGradients_set_gradient_threshold(self, t)
4898 def set_max_change(self, t):
4899 r"""set_max_change(ConjugateGradients self, IMP::Float t)"""
4900 return _IMP_core.ConjugateGradients_set_max_change(self, t)
4902 def do_optimize(self, max_steps):
4903 r"""do_optimize(ConjugateGradients self, unsigned int max_steps) -> IMP::Float"""
4904 return _IMP_core.ConjugateGradients_do_optimize(self, max_steps)
4906 def get_version_info(self):
4907 r"""get_version_info(ConjugateGradients self) -> VersionInfo"""
4908 return _IMP_core.ConjugateGradients_get_version_info(self)
4909 __swig_destroy__ = _IMP_core.delete_ConjugateGradients
4912 r"""__str__(ConjugateGradients self) -> std::string"""
4913 return _IMP_core.ConjugateGradients___str__(self)
4916 r"""__repr__(ConjugateGradients self) -> std::string"""
4917 return _IMP_core.ConjugateGradients___repr__(self)
4921 return _object_cast_to_ConjugateGradients(o)
4924 def _get_as_binary(self):
4925 r"""_get_as_binary(ConjugateGradients self) -> PyObject *"""
4926 return _IMP_core.ConjugateGradients__get_as_binary(self)
4928 def _set_from_binary(self, p):
4929 r"""_set_from_binary(ConjugateGradients self, PyObject * p)"""
4930 return _IMP_core.ConjugateGradients__set_from_binary(self, p)
4932 def __getstate__(self):
4933 p = self._get_as_binary()
4934 if len(self.__dict__) > 1:
4935 d = self.__dict__.copy()
4940 def __setstate__(self, p):
4941 if not hasattr(self,
'this'):
4943 if isinstance(p, tuple):
4945 self.__dict__.update(d)
4946 return self._set_from_binary(p)
4950 _IMP_core.ConjugateGradients_swigregister(ConjugateGradients)
4952 r"""Proxy of C++ IMP::core::ConnectivityRestraint class."""
4954 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4956 def __init__(self, ps, sc):
4957 r"""__init__(ConnectivityRestraint self, PairScore ps, _SingletonContainerAdaptor sc) -> ConnectivityRestraint"""
4958 _IMP_core.ConnectivityRestraint_swiginit(self, _IMP_core.new_ConnectivityRestraint(ps, sc))
4960 def get_connected_index_pairs(self):
4961 r"""get_connected_index_pairs(ConnectivityRestraint self) -> IMP::ParticleIndexPairs"""
4962 return _IMP_core.ConnectivityRestraint_get_connected_index_pairs(self)
4964 def get_pair_score(self):
4965 r"""get_pair_score(ConnectivityRestraint self) -> PairScore"""
4966 return _IMP_core.ConnectivityRestraint_get_pair_score(self)
4968 def do_create_current_decomposition(self):
4969 r"""do_create_current_decomposition(ConnectivityRestraint self) -> IMP::Restraints"""
4970 return _IMP_core.ConnectivityRestraint_do_create_current_decomposition(self)
4972 def do_get_inputs(self):
4973 r"""do_get_inputs(ConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
4974 return _IMP_core.ConnectivityRestraint_do_get_inputs(self)
4976 def get_version_info(self):
4977 r"""get_version_info(ConnectivityRestraint self) -> VersionInfo"""
4978 return _IMP_core.ConnectivityRestraint_get_version_info(self)
4979 __swig_destroy__ = _IMP_core.delete_ConnectivityRestraint
4982 r"""__str__(ConnectivityRestraint self) -> std::string"""
4983 return _IMP_core.ConnectivityRestraint___str__(self)
4986 r"""__repr__(ConnectivityRestraint self) -> std::string"""
4987 return _IMP_core.ConnectivityRestraint___repr__(self)
4991 return _object_cast_to_ConnectivityRestraint(o)
4995 _IMP_core.ConnectivityRestraint_swigregister(ConnectivityRestraint)
4997 r"""Proxy of C++ IMP::core::ConstantRestraint class."""
4999 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5001 def __init__(self, *args):
5003 __init__(ConstantRestraint self, Model m, IMP::Float v) -> ConstantRestraint
5004 __init__(ConstantRestraint self) -> ConstantRestraint
5006 _IMP_core.ConstantRestraint_swiginit(self, _IMP_core.new_ConstantRestraint(*args))
5008 def do_get_inputs(self):
5009 r"""do_get_inputs(ConstantRestraint self) -> IMP::ModelObjectsTemp"""
5010 return _IMP_core.ConstantRestraint_do_get_inputs(self)
5012 def get_version_info(self):
5013 r"""get_version_info(ConstantRestraint self) -> VersionInfo"""
5014 return _IMP_core.ConstantRestraint_get_version_info(self)
5015 __swig_destroy__ = _IMP_core.delete_ConstantRestraint
5018 r"""__str__(ConstantRestraint self) -> std::string"""
5019 return _IMP_core.ConstantRestraint___str__(self)
5022 r"""__repr__(ConstantRestraint self) -> std::string"""
5023 return _IMP_core.ConstantRestraint___repr__(self)
5027 return _object_cast_to_ConstantRestraint(o)
5030 def _get_as_binary(self):
5031 r"""_get_as_binary(ConstantRestraint self) -> PyObject *"""
5032 return _IMP_core.ConstantRestraint__get_as_binary(self)
5034 def _set_from_binary(self, p):
5035 r"""_set_from_binary(ConstantRestraint self, PyObject * p)"""
5036 return _IMP_core.ConstantRestraint__set_from_binary(self, p)
5038 def __getstate__(self):
5039 p = self._get_as_binary()
5040 if len(self.__dict__) > 1:
5041 d = self.__dict__.copy()
5046 def __setstate__(self, p):
5047 if not hasattr(self,
'this'):
5049 if isinstance(p, tuple):
5051 self.__dict__.update(d)
5052 return self._set_from_binary(p)
5056 _IMP_core.ConstantRestraint_swigregister(ConstantRestraint)
5058 r"""Proxy of C++ IMP::core::Cosine class."""
5060 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5062 def __init__(self, *args):
5064 __init__(Cosine self, IMP::Float force_constant, int periodicity, IMP::Float phase) -> Cosine
5065 __init__(Cosine self) -> Cosine
5067 _IMP_core.Cosine_swiginit(self, _IMP_core.new_Cosine(*args))
5069 def get_force_constant(self):
5070 r"""get_force_constant(Cosine self) -> IMP::Float"""
5071 return _IMP_core.Cosine_get_force_constant(self)
5073 def get_periodicity(self):
5074 r"""get_periodicity(Cosine self) -> int"""
5075 return _IMP_core.Cosine_get_periodicity(self)
5077 def get_phase(self):
5078 r"""get_phase(Cosine self) -> IMP::Float"""
5079 return _IMP_core.Cosine_get_phase(self)
5081 def get_version_info(self):
5082 r"""get_version_info(Cosine self) -> VersionInfo"""
5083 return _IMP_core.Cosine_get_version_info(self)
5084 __swig_destroy__ = _IMP_core.delete_Cosine
5086 def do_show(self, out):
5087 r"""do_show(Cosine self, _ostream out)"""
5088 return _IMP_core.Cosine_do_show(self, out)
5091 r"""__str__(Cosine self) -> std::string"""
5092 return _IMP_core.Cosine___str__(self)
5095 r"""__repr__(Cosine self) -> std::string"""
5096 return _IMP_core.Cosine___repr__(self)
5100 return _object_cast_to_Cosine(o)
5103 def _get_as_binary(self):
5104 r"""_get_as_binary(Cosine self) -> PyObject *"""
5105 return _IMP_core.Cosine__get_as_binary(self)
5107 def _set_from_binary(self, p):
5108 r"""_set_from_binary(Cosine self, PyObject * p)"""
5109 return _IMP_core.Cosine__set_from_binary(self, p)
5111 def __getstate__(self):
5112 p = self._get_as_binary()
5113 if len(self.__dict__) > 1:
5114 d = self.__dict__.copy()
5119 def __setstate__(self, p):
5120 if not hasattr(self,
'this'):
5122 if isinstance(p, tuple):
5124 self.__dict__.update(d)
5125 return self._set_from_binary(p)
5129 import jax.numpy
as jnp
5130 def score(val, k, period, phase):
5131 return jnp.abs(k) - k * jnp.cos(period * val + phase)
5132 return functools.partial(score, k=self.get_force_constant(),
5133 period=self.get_periodicity(),
5134 phase=self.get_phase())
5138 _IMP_core.Cosine_swigregister(Cosine)
5140 r"""Proxy of C++ IMP::core::CoverRefined class."""
5142 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5144 def __init__(self, ref, slack=0):
5145 r"""__init__(CoverRefined self, Refiner ref, IMP::Float slack=0) -> CoverRefined"""
5146 _IMP_core.CoverRefined_swiginit(self, _IMP_core.new_CoverRefined(ref, slack))
5148 def set_slack(self, slack):
5149 r"""set_slack(CoverRefined self, IMP::Float slack)"""
5150 return _IMP_core.CoverRefined_set_slack(self, slack)
5152 def do_get_inputs(self, m, pis):
5153 r"""do_get_inputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5154 return _IMP_core.CoverRefined_do_get_inputs(self, m, pis)
5156 def do_get_outputs(self, m, pis):
5157 r"""do_get_outputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5158 return _IMP_core.CoverRefined_do_get_outputs(self, m, pis)
5160 def get_version_info(self):
5161 r"""get_version_info(CoverRefined self) -> VersionInfo"""
5162 return _IMP_core.CoverRefined_get_version_info(self)
5163 __swig_destroy__ = _IMP_core.delete_CoverRefined
5166 r"""__str__(CoverRefined self) -> std::string"""
5167 return _IMP_core.CoverRefined___str__(self)
5170 r"""__repr__(CoverRefined self) -> std::string"""
5171 return _IMP_core.CoverRefined___repr__(self)
5175 return _object_cast_to_CoverRefined(o)
5179 _IMP_core.CoverRefined_swigregister(CoverRefined)
5181 r"""Proxy of C++ IMP::core::Cover class."""
5183 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5185 def get_constraint(self):
5186 r"""get_constraint(Cover self) -> Constraint"""
5187 return _IMP_core.Cover_get_constraint(self)
5189 def __init__(self, *args):
5191 __init__(Cover self) -> Cover
5192 __init__(Cover self, Model m, ParticleIndex id) -> Cover
5193 __init__(Cover self, _ParticleAdaptor d) -> Cover
5195 _IMP_core.Cover_swiginit(self, _IMP_core.new_Cover(*args))
5197 def show(self, *args):
5198 r"""show(Cover self, _ostream out=std::cout)"""
5199 return _IMP_core.Cover_show(self, *args)
5202 def setup_particle(*args):
5204 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Cover
5205 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Cover
5206 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Cover
5207 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Cover
5209 return _IMP_core.Cover_setup_particle(*args)
5212 def get_is_setup(*args):
5214 get_is_setup(_ParticleAdaptor p) -> bool
5215 get_is_setup(Model m, ParticleIndex pi) -> bool
5217 return _IMP_core.Cover_get_is_setup(*args)
5219 def add_attribute(self, *args):
5221 add_attribute(Cover self, FloatKey k, IMP::Float v, bool opt)
5222 add_attribute(Cover self, FloatKey a0, IMP::Float a1)
5223 add_attribute(Cover self, IntKey a0, IMP::Int a1)
5224 add_attribute(Cover self, FloatsKey a0, IMP::Floats a1)
5225 add_attribute(Cover self, IntsKey a0, IMP::Ints a1)
5226 add_attribute(Cover self, StringKey a0, IMP::String a1)
5227 add_attribute(Cover self, ParticleIndexKey a0, Particle a1)
5228 add_attribute(Cover self, ObjectKey a0, Object a1)
5229 add_attribute(Cover self, SparseFloatKey a0, IMP::Float a1)
5230 add_attribute(Cover self, SparseIntKey a0, IMP::Int a1)
5231 add_attribute(Cover self, SparseStringKey a0, IMP::String a1)
5232 add_attribute(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5234 return _IMP_core.Cover_add_attribute(self, *args)
5236 def get_value(self, *args):
5238 get_value(Cover self, FloatKey a0) -> IMP::Float
5239 get_value(Cover self, IntKey a0) -> IMP::Int
5240 get_value(Cover self, FloatsKey a0) -> IMP::Floats
5241 get_value(Cover self, IntsKey a0) -> IMP::Ints
5242 get_value(Cover self, StringKey a0) -> IMP::String
5243 get_value(Cover self, ParticleIndexKey a0) -> Particle
5244 get_value(Cover self, ObjectKey a0) -> Object
5245 get_value(Cover self, SparseFloatKey a0) -> IMP::Float
5246 get_value(Cover self, SparseIntKey a0) -> IMP::Int
5247 get_value(Cover self, SparseStringKey a0) -> IMP::String
5248 get_value(Cover self, SparseParticleIndexKey a0) -> ParticleIndex
5250 return _IMP_core.Cover_get_value(self, *args)
5252 def set_value(self, *args):
5254 set_value(Cover self, FloatKey a0, IMP::Float a1)
5255 set_value(Cover self, IntKey a0, IMP::Int a1)
5256 set_value(Cover self, FloatsKey a0, IMP::Floats a1)
5257 set_value(Cover self, IntsKey a0, IMP::Ints a1)
5258 set_value(Cover self, StringKey a0, IMP::String a1)
5259 set_value(Cover self, ParticleIndexKey a0, Particle a1)
5260 set_value(Cover self, ObjectKey a0, Object a1)
5261 set_value(Cover self, SparseFloatKey a0, IMP::Float a1)
5262 set_value(Cover self, SparseIntKey a0, IMP::Int a1)
5263 set_value(Cover self, SparseStringKey a0, IMP::String a1)
5264 set_value(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5266 return _IMP_core.Cover_set_value(self, *args)
5268 def remove_attribute(self, *args):
5270 remove_attribute(Cover self, FloatKey a0)
5271 remove_attribute(Cover self, IntKey a0)
5272 remove_attribute(Cover self, FloatsKey a0)
5273 remove_attribute(Cover self, IntsKey a0)
5274 remove_attribute(Cover self, StringKey a0)
5275 remove_attribute(Cover self, ParticleIndexKey a0)
5276 remove_attribute(Cover self, ObjectKey a0)
5277 remove_attribute(Cover self, SparseFloatKey a0)
5278 remove_attribute(Cover self, SparseIntKey a0)
5279 remove_attribute(Cover self, SparseStringKey a0)
5280 remove_attribute(Cover self, SparseParticleIndexKey a0)
5282 return _IMP_core.Cover_remove_attribute(self, *args)
5284 def has_attribute(self, *args):
5286 has_attribute(Cover self, FloatKey a0) -> bool
5287 has_attribute(Cover self, IntKey a0) -> bool
5288 has_attribute(Cover self, FloatsKey a0) -> bool
5289 has_attribute(Cover self, IntsKey a0) -> bool
5290 has_attribute(Cover self, StringKey a0) -> bool
5291 has_attribute(Cover self, ParticleIndexKey a0) -> bool
5292 has_attribute(Cover self, ObjectKey a0) -> bool
5293 has_attribute(Cover self, SparseFloatKey a0) -> bool
5294 has_attribute(Cover self, SparseIntKey a0) -> bool
5295 has_attribute(Cover self, SparseStringKey a0) -> bool
5296 has_attribute(Cover self, SparseParticleIndexKey a0) -> bool
5298 return _IMP_core.Cover_has_attribute(self, *args)
5300 def get_derivative(self, a0):
5301 r"""get_derivative(Cover self, FloatKey a0) -> double"""
5302 return _IMP_core.Cover_get_derivative(self, a0)
5305 r"""get_name(Cover self) -> std::string"""
5306 return _IMP_core.Cover_get_name(self)
5308 def clear_caches(self):
5309 r"""clear_caches(Cover self)"""
5310 return _IMP_core.Cover_clear_caches(self)
5312 def set_name(self, a0):
5313 r"""set_name(Cover self, std::string a0)"""
5314 return _IMP_core.Cover_set_name(self, a0)
5317 r"""set_check_level(Cover self, IMP::CheckLevel a0)"""
5318 return _IMP_core.Cover_set_check_level(self, a0)
5320 def add_to_derivative(self, a0, a1, a2):
5321 r"""add_to_derivative(Cover self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5322 return _IMP_core.Cover_add_to_derivative(self, a0, a1, a2)
5324 def set_is_optimized(self, a0, a1):
5325 r"""set_is_optimized(Cover self, FloatKey a0, bool a1)"""
5326 return _IMP_core.Cover_set_is_optimized(self, a0, a1)
5328 def get_is_optimized(self, a0):
5329 r"""get_is_optimized(Cover self, FloatKey a0) -> bool"""
5330 return _IMP_core.Cover_get_is_optimized(self, a0)
5333 r"""get_check_level(Cover self) -> IMP::CheckLevel"""
5334 return _IMP_core.Cover_get_check_level(self)
5336 def __eq__(self, *args):
5338 __eq__(Cover self, Cover o) -> bool
5339 __eq__(Cover self, Particle d) -> bool
5341 return _IMP_core.Cover___eq__(self, *args)
5343 def __ne__(self, *args):
5345 __ne__(Cover self, Cover o) -> bool
5346 __ne__(Cover self, Particle d) -> bool
5348 return _IMP_core.Cover___ne__(self, *args)
5350 def __le__(self, *args):
5352 __le__(Cover self, Cover o) -> bool
5353 __le__(Cover self, Particle d) -> bool
5355 return _IMP_core.Cover___le__(self, *args)
5357 def __lt__(self, *args):
5359 __lt__(Cover self, Cover o) -> bool
5360 __lt__(Cover self, Particle d) -> bool
5362 return _IMP_core.Cover___lt__(self, *args)
5364 def __ge__(self, *args):
5366 __ge__(Cover self, Cover o) -> bool
5367 __ge__(Cover self, Particle d) -> bool
5369 return _IMP_core.Cover___ge__(self, *args)
5371 def __gt__(self, *args):
5373 __gt__(Cover self, Cover o) -> bool
5374 __gt__(Cover self, Particle d) -> bool
5376 return _IMP_core.Cover___gt__(self, *args)
5379 r"""__hash__(Cover self) -> std::size_t"""
5380 return _IMP_core.Cover___hash__(self)
5383 r"""__str__(Cover self) -> std::string"""
5384 return _IMP_core.Cover___str__(self)
5387 r"""__repr__(Cover self) -> std::string"""
5388 return _IMP_core.Cover___repr__(self)
5390 def _get_as_binary(self):
5391 r"""_get_as_binary(Cover self) -> PyObject *"""
5392 return _IMP_core.Cover__get_as_binary(self)
5394 def _set_from_binary(self, p):
5395 r"""_set_from_binary(Cover self, PyObject * p)"""
5396 return _IMP_core.Cover__set_from_binary(self, p)
5398 def __getstate__(self):
5399 p = self._get_as_binary()
5400 if len(self.__dict__) > 1:
5401 d = self.__dict__.copy()
5406 def __setstate__(self, p):
5407 if not hasattr(self,
'this'):
5409 if isinstance(p, tuple):
5411 self.__dict__.update(d)
5412 return self._set_from_binary(p)
5414 __swig_destroy__ = _IMP_core.delete_Cover
5417 _IMP_core.Cover_swigregister(Cover)
5419 r"""Proxy of C++ IMP::core::DerivativesFromRefined class."""
5421 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5423 def __init__(self, *args):
5424 r"""__init__(DerivativesFromRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesFromRefined"""
5425 _IMP_core.DerivativesFromRefined_swiginit(self, _IMP_core.new_DerivativesFromRefined(*args))
5427 def do_get_inputs(self, m, pis):
5428 r"""do_get_inputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5429 return _IMP_core.DerivativesFromRefined_do_get_inputs(self, m, pis)
5431 def do_get_outputs(self, m, pis):
5432 r"""do_get_outputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5433 return _IMP_core.DerivativesFromRefined_do_get_outputs(self, m, pis)
5435 def get_version_info(self):
5436 r"""get_version_info(DerivativesFromRefined self) -> VersionInfo"""
5437 return _IMP_core.DerivativesFromRefined_get_version_info(self)
5438 __swig_destroy__ = _IMP_core.delete_DerivativesFromRefined
5441 r"""__str__(DerivativesFromRefined self) -> std::string"""
5442 return _IMP_core.DerivativesFromRefined___str__(self)
5445 r"""__repr__(DerivativesFromRefined self) -> std::string"""
5446 return _IMP_core.DerivativesFromRefined___repr__(self)
5450 return _object_cast_to_DerivativesFromRefined(o)
5454 _IMP_core.DerivativesFromRefined_swigregister(DerivativesFromRefined)
5456 r"""Proxy of C++ IMP::core::DerivativesToRefined class."""
5458 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5460 def __init__(self, *args):
5461 r"""__init__(DerivativesToRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesToRefined"""
5462 _IMP_core.DerivativesToRefined_swiginit(self, _IMP_core.new_DerivativesToRefined(*args))
5464 def do_get_inputs(self, m, pis):
5465 r"""do_get_inputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5466 return _IMP_core.DerivativesToRefined_do_get_inputs(self, m, pis)
5468 def do_get_outputs(self, m, pis):
5469 r"""do_get_outputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5470 return _IMP_core.DerivativesToRefined_do_get_outputs(self, m, pis)
5472 def get_version_info(self):
5473 r"""get_version_info(DerivativesToRefined self) -> VersionInfo"""
5474 return _IMP_core.DerivativesToRefined_get_version_info(self)
5475 __swig_destroy__ = _IMP_core.delete_DerivativesToRefined
5478 r"""__str__(DerivativesToRefined self) -> std::string"""
5479 return _IMP_core.DerivativesToRefined___str__(self)
5482 r"""__repr__(DerivativesToRefined self) -> std::string"""
5483 return _IMP_core.DerivativesToRefined___repr__(self)
5487 return _object_cast_to_DerivativesToRefined(o)
5491 _IMP_core.DerivativesToRefined_swigregister(DerivativesToRefined)
5493 r"""Proxy of C++ IMP::core::DiameterRestraint class."""
5495 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5497 def __init__(self, f, sc, diameter):
5498 r"""__init__(DiameterRestraint self, UnaryFunction f, SingletonContainer sc, IMP::Float diameter) -> DiameterRestraint"""
5499 _IMP_core.DiameterRestraint_swiginit(self, _IMP_core.new_DiameterRestraint(f, sc, diameter))
5501 def do_get_inputs(self):
5502 r"""do_get_inputs(DiameterRestraint self) -> IMP::ModelObjectsTemp"""
5503 return _IMP_core.DiameterRestraint_do_get_inputs(self)
5505 def get_version_info(self):
5506 r"""get_version_info(DiameterRestraint self) -> VersionInfo"""
5507 return _IMP_core.DiameterRestraint_get_version_info(self)
5508 __swig_destroy__ = _IMP_core.delete_DiameterRestraint
5510 def do_create_decomposition(self):
5511 r"""do_create_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5512 return _IMP_core.DiameterRestraint_do_create_decomposition(self)
5514 def do_create_current_decomposition(self):
5515 r"""do_create_current_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5516 return _IMP_core.DiameterRestraint_do_create_current_decomposition(self)
5519 r"""__str__(DiameterRestraint self) -> std::string"""
5520 return _IMP_core.DiameterRestraint___str__(self)
5523 r"""__repr__(DiameterRestraint self) -> std::string"""
5524 return _IMP_core.DiameterRestraint___repr__(self)
5528 return _object_cast_to_DiameterRestraint(o)
5532 _IMP_core.DiameterRestraint_swigregister(DiameterRestraint)
5534 r"""Proxy of C++ IMP::core::Transform class."""
5536 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5538 def __init__(self, *args):
5540 __init__(Transform self, Transformation3D t, bool ignore_non_xyz=False) -> Transform
5541 __init__(Transform self) -> Transform
5543 _IMP_core.Transform_swiginit(self, _IMP_core.new_Transform(*args))
5545 def do_get_inputs(self, m, pis):
5546 r"""do_get_inputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5547 return _IMP_core.Transform_do_get_inputs(self, m, pis)
5549 def do_get_outputs(self, m, pis):
5550 r"""do_get_outputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5551 return _IMP_core.Transform_do_get_outputs(self, m, pis)
5553 def get_version_info(self):
5554 r"""get_version_info(Transform self) -> VersionInfo"""
5555 return _IMP_core.Transform_get_version_info(self)
5556 __swig_destroy__ = _IMP_core.delete_Transform
5559 r"""__str__(Transform self) -> std::string"""
5560 return _IMP_core.Transform___str__(self)
5563 r"""__repr__(Transform self) -> std::string"""
5564 return _IMP_core.Transform___repr__(self)
5568 return _object_cast_to_Transform(o)
5571 def _get_as_binary(self):
5572 r"""_get_as_binary(Transform self) -> PyObject *"""
5573 return _IMP_core.Transform__get_as_binary(self)
5575 def _set_from_binary(self, p):
5576 r"""_set_from_binary(Transform self, PyObject * p)"""
5577 return _IMP_core.Transform__set_from_binary(self, p)
5579 def __getstate__(self):
5580 p = self._get_as_binary()
5581 if len(self.__dict__) > 1:
5582 d = self.__dict__.copy()
5587 def __setstate__(self, p):
5588 if not hasattr(self,
'this'):
5590 if isinstance(p, tuple):
5592 self.__dict__.update(d)
5593 return self._set_from_binary(p)
5597 _IMP_core.Transform_swigregister(Transform)
5599 r"""Proxy of C++ IMP::core::Reference class."""
5601 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5603 def __init__(self, *args):
5605 __init__(Reference self) -> Reference
5606 __init__(Reference self, Model m, ParticleIndex id) -> Reference
5607 __init__(Reference self, _ParticleAdaptor d) -> Reference
5609 _IMP_core.Reference_swiginit(self, _IMP_core.new_Reference(*args))
5611 def show(self, *args):
5612 r"""show(Reference self, _ostream out=std::cout)"""
5613 return _IMP_core.Reference_show(self, *args)
5616 def setup_particle(*args):
5618 setup_particle(Model m, ParticleIndex pi, _ParticleIndexAdaptor reference) -> Reference
5619 setup_particle(_ParticleAdaptor pa, _ParticleIndexAdaptor reference) -> Reference
5621 return _IMP_core.Reference_setup_particle(*args)
5623 def get_reference_particle(self):
5624 r"""get_reference_particle(Reference self) -> Particle"""
5625 return _IMP_core.Reference_get_reference_particle(self)
5628 def get_is_setup(*args):
5630 get_is_setup(_ParticleAdaptor p) -> bool
5631 get_is_setup(Model m, ParticleIndex pi) -> bool
5633 return _IMP_core.Reference_get_is_setup(*args)
5636 def get_reference_key():
5637 r"""get_reference_key() -> ParticleIndexKey"""
5638 return _IMP_core.Reference_get_reference_key()
5640 def add_attribute(self, *args):
5642 add_attribute(Reference self, FloatKey k, IMP::Float v, bool opt)
5643 add_attribute(Reference self, FloatKey a0, IMP::Float a1)
5644 add_attribute(Reference self, IntKey a0, IMP::Int a1)
5645 add_attribute(Reference self, FloatsKey a0, IMP::Floats a1)
5646 add_attribute(Reference self, IntsKey a0, IMP::Ints a1)
5647 add_attribute(Reference self, StringKey a0, IMP::String a1)
5648 add_attribute(Reference self, ParticleIndexKey a0, Particle a1)
5649 add_attribute(Reference self, ObjectKey a0, Object a1)
5650 add_attribute(Reference self, SparseFloatKey a0, IMP::Float a1)
5651 add_attribute(Reference self, SparseIntKey a0, IMP::Int a1)
5652 add_attribute(Reference self, SparseStringKey a0, IMP::String a1)
5653 add_attribute(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5655 return _IMP_core.Reference_add_attribute(self, *args)
5657 def get_value(self, *args):
5659 get_value(Reference self, FloatKey a0) -> IMP::Float
5660 get_value(Reference self, IntKey a0) -> IMP::Int
5661 get_value(Reference self, FloatsKey a0) -> IMP::Floats
5662 get_value(Reference self, IntsKey a0) -> IMP::Ints
5663 get_value(Reference self, StringKey a0) -> IMP::String
5664 get_value(Reference self, ParticleIndexKey a0) -> Particle
5665 get_value(Reference self, ObjectKey a0) -> Object
5666 get_value(Reference self, SparseFloatKey a0) -> IMP::Float
5667 get_value(Reference self, SparseIntKey a0) -> IMP::Int
5668 get_value(Reference self, SparseStringKey a0) -> IMP::String
5669 get_value(Reference self, SparseParticleIndexKey a0) -> ParticleIndex
5671 return _IMP_core.Reference_get_value(self, *args)
5673 def set_value(self, *args):
5675 set_value(Reference self, FloatKey a0, IMP::Float a1)
5676 set_value(Reference self, IntKey a0, IMP::Int a1)
5677 set_value(Reference self, FloatsKey a0, IMP::Floats a1)
5678 set_value(Reference self, IntsKey a0, IMP::Ints a1)
5679 set_value(Reference self, StringKey a0, IMP::String a1)
5680 set_value(Reference self, ParticleIndexKey a0, Particle a1)
5681 set_value(Reference self, ObjectKey a0, Object a1)
5682 set_value(Reference self, SparseFloatKey a0, IMP::Float a1)
5683 set_value(Reference self, SparseIntKey a0, IMP::Int a1)
5684 set_value(Reference self, SparseStringKey a0, IMP::String a1)
5685 set_value(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5687 return _IMP_core.Reference_set_value(self, *args)
5689 def remove_attribute(self, *args):
5691 remove_attribute(Reference self, FloatKey a0)
5692 remove_attribute(Reference self, IntKey a0)
5693 remove_attribute(Reference self, FloatsKey a0)
5694 remove_attribute(Reference self, IntsKey a0)
5695 remove_attribute(Reference self, StringKey a0)
5696 remove_attribute(Reference self, ParticleIndexKey a0)
5697 remove_attribute(Reference self, ObjectKey a0)
5698 remove_attribute(Reference self, SparseFloatKey a0)
5699 remove_attribute(Reference self, SparseIntKey a0)
5700 remove_attribute(Reference self, SparseStringKey a0)
5701 remove_attribute(Reference self, SparseParticleIndexKey a0)
5703 return _IMP_core.Reference_remove_attribute(self, *args)
5705 def has_attribute(self, *args):
5707 has_attribute(Reference self, FloatKey a0) -> bool
5708 has_attribute(Reference self, IntKey a0) -> bool
5709 has_attribute(Reference self, FloatsKey a0) -> bool
5710 has_attribute(Reference self, IntsKey a0) -> bool
5711 has_attribute(Reference self, StringKey a0) -> bool
5712 has_attribute(Reference self, ParticleIndexKey a0) -> bool
5713 has_attribute(Reference self, ObjectKey a0) -> bool
5714 has_attribute(Reference self, SparseFloatKey a0) -> bool
5715 has_attribute(Reference self, SparseIntKey a0) -> bool
5716 has_attribute(Reference self, SparseStringKey a0) -> bool
5717 has_attribute(Reference self, SparseParticleIndexKey a0) -> bool
5719 return _IMP_core.Reference_has_attribute(self, *args)
5721 def get_derivative(self, a0):
5722 r"""get_derivative(Reference self, FloatKey a0) -> double"""
5723 return _IMP_core.Reference_get_derivative(self, a0)
5726 r"""get_name(Reference self) -> std::string"""
5727 return _IMP_core.Reference_get_name(self)
5729 def clear_caches(self):
5730 r"""clear_caches(Reference self)"""
5731 return _IMP_core.Reference_clear_caches(self)
5733 def set_name(self, a0):
5734 r"""set_name(Reference self, std::string a0)"""
5735 return _IMP_core.Reference_set_name(self, a0)
5738 r"""set_check_level(Reference self, IMP::CheckLevel a0)"""
5739 return _IMP_core.Reference_set_check_level(self, a0)
5741 def add_to_derivative(self, a0, a1, a2):
5742 r"""add_to_derivative(Reference self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5743 return _IMP_core.Reference_add_to_derivative(self, a0, a1, a2)
5745 def set_is_optimized(self, a0, a1):
5746 r"""set_is_optimized(Reference self, FloatKey a0, bool a1)"""
5747 return _IMP_core.Reference_set_is_optimized(self, a0, a1)
5749 def get_is_optimized(self, a0):
5750 r"""get_is_optimized(Reference self, FloatKey a0) -> bool"""
5751 return _IMP_core.Reference_get_is_optimized(self, a0)
5754 r"""get_check_level(Reference self) -> IMP::CheckLevel"""
5755 return _IMP_core.Reference_get_check_level(self)
5757 def __eq__(self, *args):
5759 __eq__(Reference self, Reference o) -> bool
5760 __eq__(Reference self, Particle d) -> bool
5762 return _IMP_core.Reference___eq__(self, *args)
5764 def __ne__(self, *args):
5766 __ne__(Reference self, Reference o) -> bool
5767 __ne__(Reference self, Particle d) -> bool
5769 return _IMP_core.Reference___ne__(self, *args)
5771 def __le__(self, *args):
5773 __le__(Reference self, Reference o) -> bool
5774 __le__(Reference self, Particle d) -> bool
5776 return _IMP_core.Reference___le__(self, *args)
5778 def __lt__(self, *args):
5780 __lt__(Reference self, Reference o) -> bool
5781 __lt__(Reference self, Particle d) -> bool
5783 return _IMP_core.Reference___lt__(self, *args)
5785 def __ge__(self, *args):
5787 __ge__(Reference self, Reference o) -> bool
5788 __ge__(Reference self, Particle d) -> bool
5790 return _IMP_core.Reference___ge__(self, *args)
5792 def __gt__(self, *args):
5794 __gt__(Reference self, Reference o) -> bool
5795 __gt__(Reference self, Particle d) -> bool
5797 return _IMP_core.Reference___gt__(self, *args)
5800 r"""__hash__(Reference self) -> std::size_t"""
5801 return _IMP_core.Reference___hash__(self)
5804 r"""__str__(Reference self) -> std::string"""
5805 return _IMP_core.Reference___str__(self)
5808 r"""__repr__(Reference self) -> std::string"""
5809 return _IMP_core.Reference___repr__(self)
5811 def _get_as_binary(self):
5812 r"""_get_as_binary(Reference self) -> PyObject *"""
5813 return _IMP_core.Reference__get_as_binary(self)
5815 def _set_from_binary(self, p):
5816 r"""_set_from_binary(Reference self, PyObject * p)"""
5817 return _IMP_core.Reference__set_from_binary(self, p)
5819 def __getstate__(self):
5820 p = self._get_as_binary()
5821 if len(self.__dict__) > 1:
5822 d = self.__dict__.copy()
5827 def __setstate__(self, p):
5828 if not hasattr(self,
'this'):
5830 if isinstance(p, tuple):
5832 self.__dict__.update(d)
5833 return self._set_from_binary(p)
5835 __swig_destroy__ = _IMP_core.delete_Reference
5838 _IMP_core.Reference_swigregister(Reference)
5840 r"""Proxy of C++ IMP::core::TransformationAndReflectionSymmetry class."""
5842 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5844 def __init__(self, t, r):
5845 r"""__init__(TransformationAndReflectionSymmetry self, Transformation3D t, Reflection3D r) -> TransformationAndReflectionSymmetry"""
5846 _IMP_core.TransformationAndReflectionSymmetry_swiginit(self, _IMP_core.new_TransformationAndReflectionSymmetry(t, r))
5848 def do_get_inputs(self, m, pis):
5849 r"""do_get_inputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5850 return _IMP_core.TransformationAndReflectionSymmetry_do_get_inputs(self, m, pis)
5852 def do_get_outputs(self, m, pis):
5853 r"""do_get_outputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5854 return _IMP_core.TransformationAndReflectionSymmetry_do_get_outputs(self, m, pis)
5856 def get_version_info(self):
5857 r"""get_version_info(TransformationAndReflectionSymmetry self) -> VersionInfo"""
5858 return _IMP_core.TransformationAndReflectionSymmetry_get_version_info(self)
5859 __swig_destroy__ = _IMP_core.delete_TransformationAndReflectionSymmetry
5862 r"""__str__(TransformationAndReflectionSymmetry self) -> std::string"""
5863 return _IMP_core.TransformationAndReflectionSymmetry___str__(self)
5866 r"""__repr__(TransformationAndReflectionSymmetry self) -> std::string"""
5867 return _IMP_core.TransformationAndReflectionSymmetry___repr__(self)
5871 return _object_cast_to_TransformationAndReflectionSymmetry(o)
5875 _IMP_core.TransformationAndReflectionSymmetry_swigregister(TransformationAndReflectionSymmetry)
5877 r"""Proxy of C++ IMP::core::TransformationSymmetry class."""
5879 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5881 def __init__(self, *args):
5883 __init__(TransformationSymmetry self, Transformation3D t) -> TransformationSymmetry
5884 __init__(TransformationSymmetry self, ParticleIndex rb_pi) -> TransformationSymmetry
5886 _IMP_core.TransformationSymmetry_swiginit(self, _IMP_core.new_TransformationSymmetry(*args))
5888 def get_transformation(self):
5889 r"""get_transformation(TransformationSymmetry self) -> Transformation3D"""
5890 return _IMP_core.TransformationSymmetry_get_transformation(self)
5892 def set_transformation(self, t):
5893 r"""set_transformation(TransformationSymmetry self, Transformation3D t)"""
5894 return _IMP_core.TransformationSymmetry_set_transformation(self, t)
5896 def do_get_inputs(self, m, pis):
5897 r"""do_get_inputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5898 return _IMP_core.TransformationSymmetry_do_get_inputs(self, m, pis)
5900 def do_get_outputs(self, m, pis):
5901 r"""do_get_outputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5902 return _IMP_core.TransformationSymmetry_do_get_outputs(self, m, pis)
5904 def get_version_info(self):
5905 r"""get_version_info(TransformationSymmetry self) -> VersionInfo"""
5906 return _IMP_core.TransformationSymmetry_get_version_info(self)
5907 __swig_destroy__ = _IMP_core.delete_TransformationSymmetry
5910 r"""__str__(TransformationSymmetry self) -> std::string"""
5911 return _IMP_core.TransformationSymmetry___str__(self)
5914 r"""__repr__(TransformationSymmetry self) -> std::string"""
5915 return _IMP_core.TransformationSymmetry___repr__(self)
5919 return _object_cast_to_TransformationSymmetry(o)
5923 _IMP_core.TransformationSymmetry_swigregister(TransformationSymmetry)
5924 class TransformationSymmetryMover(MonteCarloMover):
5925 r"""Proxy of C++ IMP::core::TransformationSymmetryMover class."""
5927 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5929 def __init__(self, m, symm, pivot, max_translation, max_rotation):
5930 r"""__init__(TransformationSymmetryMover self, Model m, TransformationSymmetry symm, ParticleIndex pivot, IMP::Float max_translation, IMP::Float max_rotation) -> TransformationSymmetryMover"""
5931 _IMP_core.TransformationSymmetryMover_swiginit(self, _IMP_core.new_TransformationSymmetryMover(m, symm, pivot, max_translation, max_rotation))
5933 def set_maximum_translation(self, mt):
5934 r"""set_maximum_translation(TransformationSymmetryMover self, IMP::Float mt)"""
5935 return _IMP_core.TransformationSymmetryMover_set_maximum_translation(self, mt)
5937 def set_maximum_rotation(self, mr):
5938 r"""set_maximum_rotation(TransformationSymmetryMover self, IMP::Float mr)"""
5939 return _IMP_core.TransformationSymmetryMover_set_maximum_rotation(self, mr)
5941 def get_maximum_translation(self):
5942 r"""get_maximum_translation(TransformationSymmetryMover self) -> IMP::Float"""
5943 return _IMP_core.TransformationSymmetryMover_get_maximum_translation(self)
5945 def get_maximum_rotation(self):
5946 r"""get_maximum_rotation(TransformationSymmetryMover self) -> IMP::Float"""
5947 return _IMP_core.TransformationSymmetryMover_get_maximum_rotation(self)
5949 def get_version_info(self):
5950 r"""get_version_info(TransformationSymmetryMover self) -> VersionInfo"""
5951 return _IMP_core.TransformationSymmetryMover_get_version_info(self)
5952 __swig_destroy__ = _IMP_core.delete_TransformationSymmetryMover
5955 r"""__str__(TransformationSymmetryMover self) -> std::string"""
5956 return _IMP_core.TransformationSymmetryMover___str__(self)
5959 r"""__repr__(TransformationSymmetryMover self) -> std::string"""
5960 return _IMP_core.TransformationSymmetryMover___repr__(self)
5964 return _object_cast_to_TransformationSymmetryMover(o)
5968 _IMP_core.TransformationSymmetryMover_swigregister(TransformationSymmetryMover)
5970 r"""Proxy of C++ IMP::core::DihedralRestraint class."""
5972 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5974 def __init__(self, m, score_func, p1, p2, p3, p4):
5975 r"""__init__(DihedralRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3, _ParticleIndexAdaptor p4) -> DihedralRestraint"""
5976 _IMP_core.DihedralRestraint_swiginit(self, _IMP_core.new_DihedralRestraint(m, score_func, p1, p2, p3, p4))
5978 def do_get_inputs(self):
5979 r"""do_get_inputs(DihedralRestraint self) -> IMP::ModelObjectsTemp"""
5980 return _IMP_core.DihedralRestraint_do_get_inputs(self)
5982 def get_version_info(self):
5983 r"""get_version_info(DihedralRestraint self) -> VersionInfo"""
5984 return _IMP_core.DihedralRestraint_get_version_info(self)
5985 __swig_destroy__ = _IMP_core.delete_DihedralRestraint
5988 r"""__str__(DihedralRestraint self) -> std::string"""
5989 return _IMP_core.DihedralRestraint___str__(self)
5992 r"""__repr__(DihedralRestraint self) -> std::string"""
5993 return _IMP_core.DihedralRestraint___repr__(self)
5997 return _object_cast_to_DihedralRestraint(o)
6001 _IMP_core.DihedralRestraint_swigregister(DihedralRestraint)
6003 r"""Proxy of C++ IMP::core::DistancePairScore class."""
6005 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6007 def __init__(self, *args):
6009 __init__(DistancePairScore self, UnaryFunction uf, std::string name="DistancePairScore%1%") -> DistancePairScore
6010 __init__(DistancePairScore self) -> DistancePairScore
6012 _IMP_core.DistancePairScore_swiginit(self, _IMP_core.new_DistancePairScore(*args))
6014 def do_get_inputs(self, m, pis):
6015 r"""do_get_inputs(DistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6016 return _IMP_core.DistancePairScore_do_get_inputs(self, m, pis)
6018 def get_score_functor(self, *args):
6020 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
6021 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
6023 return _IMP_core.DistancePairScore_get_score_functor(self, *args)
6025 def get_version_info(self):
6026 r"""get_version_info(DistancePairScore self) -> VersionInfo"""
6027 return _IMP_core.DistancePairScore_get_version_info(self)
6028 __swig_destroy__ = _IMP_core.delete_DistancePairScore
6031 r"""__str__(DistancePairScore self) -> std::string"""
6032 return _IMP_core.DistancePairScore___str__(self)
6035 r"""__repr__(DistancePairScore self) -> std::string"""
6036 return _IMP_core.DistancePairScore___repr__(self)
6040 return _object_cast_to_DistancePairScore(o)
6043 def _get_as_binary(self):
6044 r"""_get_as_binary(DistancePairScore self) -> PyObject *"""
6045 return _IMP_core.DistancePairScore__get_as_binary(self)
6047 def _set_from_binary(self, p):
6048 r"""_set_from_binary(DistancePairScore self, PyObject * p)"""
6049 return _IMP_core.DistancePairScore__set_from_binary(self, p)
6051 def __getstate__(self):
6052 p = self._get_as_binary()
6053 if len(self.__dict__) > 1:
6054 d = self.__dict__.copy()
6059 def __setstate__(self, p):
6060 if not hasattr(self,
'this'):
6062 if isinstance(p, tuple):
6064 self.__dict__.update(d)
6065 return self._set_from_binary(p)
6068 def _get_jax(self, m, indexes):
6069 import jax.numpy
as jnp
6070 def jax_score(jm, uf):
6071 xyzs = jm[
'xyz'][indexes]
6072 diff = xyzs[:,0] - xyzs[:,1]
6073 drs = jnp.linalg.norm(diff, axis=1)
6075 sfnc = self.get_score_functor()
6076 uf = sfnc.get_unary_function().get_derived_object()
6077 f = functools.partial(jax_score, uf=uf._get_jax())
6078 return self._wrap_jax(m, f)
6082 _IMP_core.DistancePairScore_swigregister(DistancePairScore)
6084 r"""Proxy of C++ IMP::core::HarmonicDistancePairScore class."""
6086 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6088 def __init__(self, *args):
6090 __init__(HarmonicDistancePairScore self, double x0, double k, std::string name="HarmonicDistancePairScore%1%") -> HarmonicDistancePairScore
6091 __init__(HarmonicDistancePairScore self) -> HarmonicDistancePairScore
6093 _IMP_core.HarmonicDistancePairScore_swiginit(self, _IMP_core.new_HarmonicDistancePairScore(*args))
6095 def do_get_inputs(self, m, pis):
6096 r"""do_get_inputs(HarmonicDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6097 return _IMP_core.HarmonicDistancePairScore_do_get_inputs(self, m, pis)
6099 def get_score_functor(self, *args):
6101 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore
6102 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore const &
6104 return _IMP_core.HarmonicDistancePairScore_get_score_functor(self, *args)
6107 r"""get_x0(HarmonicDistancePairScore self) -> double"""
6108 return _IMP_core.HarmonicDistancePairScore_get_x0(self)
6111 r"""get_k(HarmonicDistancePairScore self) -> double"""
6112 return _IMP_core.HarmonicDistancePairScore_get_k(self)
6114 def get_version_info(self):
6115 r"""get_version_info(HarmonicDistancePairScore self) -> VersionInfo"""
6116 return _IMP_core.HarmonicDistancePairScore_get_version_info(self)
6117 __swig_destroy__ = _IMP_core.delete_HarmonicDistancePairScore
6120 r"""__str__(HarmonicDistancePairScore self) -> std::string"""
6121 return _IMP_core.HarmonicDistancePairScore___str__(self)
6124 r"""__repr__(HarmonicDistancePairScore self) -> std::string"""
6125 return _IMP_core.HarmonicDistancePairScore___repr__(self)
6129 return _object_cast_to_HarmonicDistancePairScore(o)
6132 def _get_as_binary(self):
6133 r"""_get_as_binary(HarmonicDistancePairScore self) -> PyObject *"""
6134 return _IMP_core.HarmonicDistancePairScore__get_as_binary(self)
6136 def _set_from_binary(self, p):
6137 r"""_set_from_binary(HarmonicDistancePairScore self, PyObject * p)"""
6138 return _IMP_core.HarmonicDistancePairScore__set_from_binary(self, p)
6140 def __getstate__(self):
6141 p = self._get_as_binary()
6142 if len(self.__dict__) > 1:
6143 d = self.__dict__.copy()
6148 def __setstate__(self, p):
6149 if not hasattr(self,
'this'):
6151 if isinstance(p, tuple):
6153 self.__dict__.update(d)
6154 return self._set_from_binary(p)
6157 def _get_jax(self, m, indexes):
6158 import jax.numpy
as jnp
6159 def jax_harmonic_distance_pair_score(jm, d, k):
6160 xyzs = jm[
'xyz'][indexes]
6161 diff = xyzs[:,0] - xyzs[:,1]
6162 drs = jnp.linalg.norm(diff, axis=1)
6163 return 0.5 * k * (d - drs)**2
6164 f = functools.partial(jax_harmonic_distance_pair_score,
6165 d=self.get_x0(), k=self.get_k())
6166 return self._wrap_jax(m, f)
6170 _IMP_core.HarmonicDistancePairScore_swigregister(HarmonicDistancePairScore)
6172 r"""Proxy of C++ IMP::core::DistanceRestraint class."""
6174 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6176 def __init__(self, *args):
6178 __init__(DistanceRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor a, _ParticleIndexAdaptor b, std::string name="DistanceRestraint %1%") -> DistanceRestraint
6179 __init__(DistanceRestraint self) -> DistanceRestraint
6181 _IMP_core.DistanceRestraint_swiginit(self, _IMP_core.new_DistanceRestraint(*args))
6183 def get_score_object(self):
6184 r"""get_score_object(DistanceRestraint self) -> DistancePairScore"""
6185 return _IMP_core.DistanceRestraint_get_score_object(self)
6188 r"""get_index(DistanceRestraint self) -> IMP::core::DistancePairScore::IndexArgument"""
6189 return _IMP_core.DistanceRestraint_get_index(self)
6191 def get_version_info(self):
6192 r"""get_version_info(DistanceRestraint self) -> VersionInfo"""
6193 return _IMP_core.DistanceRestraint_get_version_info(self)
6194 __swig_destroy__ = _IMP_core.delete_DistanceRestraint
6197 r"""__str__(DistanceRestraint self) -> std::string"""
6198 return _IMP_core.DistanceRestraint___str__(self)
6201 r"""__repr__(DistanceRestraint self) -> std::string"""
6202 return _IMP_core.DistanceRestraint___repr__(self)
6206 return _object_cast_to_DistanceRestraint(o)
6209 def _get_as_binary(self):
6210 r"""_get_as_binary(DistanceRestraint self) -> PyObject *"""
6211 return _IMP_core.DistanceRestraint__get_as_binary(self)
6213 def _set_from_binary(self, p):
6214 r"""_set_from_binary(DistanceRestraint self, PyObject * p)"""
6215 return _IMP_core.DistanceRestraint__set_from_binary(self, p)
6217 def __getstate__(self):
6218 p = self._get_as_binary()
6219 if len(self.__dict__) > 1:
6220 d = self.__dict__.copy()
6225 def __setstate__(self, p):
6226 if not hasattr(self,
'this'):
6228 if isinstance(p, tuple):
6230 self.__dict__.update(d)
6231 return self._set_from_binary(p)
6235 import jax.numpy
as jnp
6236 ps = self.get_score_object()
6237 indexes = jnp.array([self.get_index()])
6238 ji = ps._get_jax(self.get_model(), indexes)
6239 return self._wrap_jax(ji.score_func)
6243 _IMP_core.DistanceRestraint_swigregister(DistanceRestraint)
6245 r"""Proxy of C++ IMP::core::SphereDistanceToSingletonScore class."""
6247 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6249 def __init__(self, f, pt):
6250 r"""__init__(SphereDistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> SphereDistanceToSingletonScore"""
6251 _IMP_core.SphereDistanceToSingletonScore_swiginit(self, _IMP_core.new_SphereDistanceToSingletonScore(f, pt))
6253 def do_get_inputs(self, m, pis):
6254 r"""do_get_inputs(SphereDistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6255 return _IMP_core.SphereDistanceToSingletonScore_do_get_inputs(self, m, pis)
6257 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
6258 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"""
6259 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
6261 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
6262 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"""
6263 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
6265 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
6266 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"""
6267 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
6269 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
6270 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"""
6271 return _IMP_core.SphereDistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
6273 def get_version_info(self):
6274 r"""get_version_info(SphereDistanceToSingletonScore self) -> VersionInfo"""
6275 return _IMP_core.SphereDistanceToSingletonScore_get_version_info(self)
6276 __swig_destroy__ = _IMP_core.delete_SphereDistanceToSingletonScore
6279 r"""__str__(SphereDistanceToSingletonScore self) -> std::string"""
6280 return _IMP_core.SphereDistanceToSingletonScore___str__(self)
6283 r"""__repr__(SphereDistanceToSingletonScore self) -> std::string"""
6284 return _IMP_core.SphereDistanceToSingletonScore___repr__(self)
6288 return _object_cast_to_SphereDistanceToSingletonScore(o)
6292 _IMP_core.SphereDistanceToSingletonScore_swigregister(SphereDistanceToSingletonScore)
6294 r"""Proxy of C++ IMP::core::ExcludedVolumeRestraint class."""
6296 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6298 def __init__(self, *args):
6299 r"""__init__(ExcludedVolumeRestraint self, _SingletonContainerAdaptor sc, double k=1, double slack=10, std::string name="ExcludedVolumeRestraint%1%") -> ExcludedVolumeRestraint"""
6300 _IMP_core.ExcludedVolumeRestraint_swiginit(self, _IMP_core.new_ExcludedVolumeRestraint(*args))
6302 def do_get_inputs(self):
6303 r"""do_get_inputs(ExcludedVolumeRestraint self) -> IMP::ModelObjectsTemp"""
6304 return _IMP_core.ExcludedVolumeRestraint_do_get_inputs(self)
6306 def get_version_info(self):
6307 r"""get_version_info(ExcludedVolumeRestraint self) -> VersionInfo"""
6308 return _IMP_core.ExcludedVolumeRestraint_get_version_info(self)
6309 __swig_destroy__ = _IMP_core.delete_ExcludedVolumeRestraint
6311 def do_create_decomposition(self):
6312 r"""do_create_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6313 return _IMP_core.ExcludedVolumeRestraint_do_create_decomposition(self)
6315 def do_create_current_decomposition(self):
6316 r"""do_create_current_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6317 return _IMP_core.ExcludedVolumeRestraint_do_create_current_decomposition(self)
6320 r"""get_indexes(ExcludedVolumeRestraint self) -> IMP::ParticleIndexPairs const &"""
6321 return _IMP_core.ExcludedVolumeRestraint_get_indexes(self)
6322 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)
6323 def __set_pair_filters(self, obj): IMP._list_util.set_varlist(self.pair_filters, obj)
6324 def __del_pair_filters(self): IMP._list_util.del_varlist(self.pair_filters)
6325 pair_filters = property(__get_pair_filters, __set_pair_filters, __del_pair_filters, doc=
"List of ##ucnames")
6327 def remove_pair_filter(self, d):
6328 r"""remove_pair_filter(ExcludedVolumeRestraint self, PairPredicate d)"""
6329 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filter(self, d)
6331 def _python_index_pair_filter(self, d, start, stop):
6332 r"""_python_index_pair_filter(ExcludedVolumeRestraint self, PairPredicate d, unsigned int start, unsigned int stop) -> unsigned int"""
6333 return _IMP_core.ExcludedVolumeRestraint__python_index_pair_filter(self, d, start, stop)
6335 def remove_pair_filters(self, d):
6336 r"""remove_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & d)"""
6337 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filters(self, d)
6339 def set_pair_filters(self, ps):
6340 r"""set_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & ps)"""
6341 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters(self, ps)
6343 def set_pair_filters_order(self, objs):
6344 r"""set_pair_filters_order(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6345 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters_order(self, objs)
6347 def add_pair_filter(self, obj):
6348 r"""add_pair_filter(ExcludedVolumeRestraint self, PairPredicate obj) -> unsigned int"""
6349 return _IMP_core.ExcludedVolumeRestraint_add_pair_filter(self, obj)
6351 def add_pair_filters(self, objs):
6352 r"""add_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6353 return _IMP_core.ExcludedVolumeRestraint_add_pair_filters(self, objs)
6355 def clear_pair_filters(self):
6356 r"""clear_pair_filters(ExcludedVolumeRestraint self)"""
6357 return _IMP_core.ExcludedVolumeRestraint_clear_pair_filters(self)
6359 def get_number_of_pair_filters(self):
6360 r"""get_number_of_pair_filters(ExcludedVolumeRestraint self) -> unsigned int"""
6361 return _IMP_core.ExcludedVolumeRestraint_get_number_of_pair_filters(self)
6363 def get_has_pair_filters(self):
6364 r"""get_has_pair_filters(ExcludedVolumeRestraint self) -> bool"""
6365 return _IMP_core.ExcludedVolumeRestraint_get_has_pair_filters(self)
6367 def get_pair_filter(self, i):
6368 r"""get_pair_filter(ExcludedVolumeRestraint self, unsigned int i) -> PairPredicate"""
6369 return _IMP_core.ExcludedVolumeRestraint_get_pair_filter(self, i)
6371 def get_pair_filters(self):
6372 r"""get_pair_filters(ExcludedVolumeRestraint self) -> IMP::PairPredicates"""
6373 return _IMP_core.ExcludedVolumeRestraint_get_pair_filters(self)
6375 def erase_pair_filter(self, i):
6376 r"""erase_pair_filter(ExcludedVolumeRestraint self, unsigned int i)"""
6377 return _IMP_core.ExcludedVolumeRestraint_erase_pair_filter(self, i)
6379 def reserve_pair_filters(self, sz):
6380 r"""reserve_pair_filters(ExcludedVolumeRestraint self, unsigned int sz)"""
6381 return _IMP_core.ExcludedVolumeRestraint_reserve_pair_filters(self, sz)
6384 r"""__str__(ExcludedVolumeRestraint self) -> std::string"""
6385 return _IMP_core.ExcludedVolumeRestraint___str__(self)
6388 r"""__repr__(ExcludedVolumeRestraint self) -> std::string"""
6389 return _IMP_core.ExcludedVolumeRestraint___repr__(self)
6393 return _object_cast_to_ExcludedVolumeRestraint(o)
6397 _IMP_core.ExcludedVolumeRestraint_swigregister(ExcludedVolumeRestraint)
6399 r"""Proxy of C++ IMP::core::FixedRefiner class."""
6401 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6403 def __init__(self, *args):
6405 __init__(FixedRefiner self, IMP::ParticlesTemp const & ps) -> FixedRefiner
6406 __init__(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> FixedRefiner
6408 _IMP_core.FixedRefiner_swiginit(self, _IMP_core.new_FixedRefiner(*args))
6410 def do_get_inputs(self, m, pis):
6411 r"""do_get_inputs(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6412 return _IMP_core.FixedRefiner_do_get_inputs(self, m, pis)
6414 def get_version_info(self):
6415 r"""get_version_info(FixedRefiner self) -> VersionInfo"""
6416 return _IMP_core.FixedRefiner_get_version_info(self)
6417 __swig_destroy__ = _IMP_core.delete_FixedRefiner
6420 r"""__str__(FixedRefiner self) -> std::string"""
6421 return _IMP_core.FixedRefiner___str__(self)
6424 r"""__repr__(FixedRefiner self) -> std::string"""
6425 return _IMP_core.FixedRefiner___repr__(self)
6429 return _object_cast_to_FixedRefiner(o)
6433 _IMP_core.FixedRefiner_swigregister(FixedRefiner)
6434 class GridClosePairsFinder(ClosePairsFinder):
6435 r"""Proxy of C++ IMP::core::GridClosePairsFinder class."""
6437 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6440 r"""__init__(GridClosePairsFinder self) -> GridClosePairsFinder"""
6441 _IMP_core.GridClosePairsFinder_swiginit(self, _IMP_core.new_GridClosePairsFinder())
6443 def get_close_pairs(self, *args):
6445 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6446 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6447 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
6448 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
6450 return _IMP_core.GridClosePairsFinder_get_close_pairs(self, *args)
6452 def do_get_inputs(self, m, pis):
6453 r"""do_get_inputs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6454 return _IMP_core.GridClosePairsFinder_do_get_inputs(self, m, pis)
6456 def get_version_info(self):
6457 r"""get_version_info(GridClosePairsFinder self) -> VersionInfo"""
6458 return _IMP_core.GridClosePairsFinder_get_version_info(self)
6459 __swig_destroy__ = _IMP_core.delete_GridClosePairsFinder
6462 r"""__str__(GridClosePairsFinder self) -> std::string"""
6463 return _IMP_core.GridClosePairsFinder___str__(self)
6466 r"""__repr__(GridClosePairsFinder self) -> std::string"""
6467 return _IMP_core.GridClosePairsFinder___repr__(self)
6471 return _object_cast_to_GridClosePairsFinder(o)
6474 def _get_as_binary(self):
6475 r"""_get_as_binary(GridClosePairsFinder self) -> PyObject *"""
6476 return _IMP_core.GridClosePairsFinder__get_as_binary(self)
6478 def _set_from_binary(self, p):
6479 r"""_set_from_binary(GridClosePairsFinder self, PyObject * p)"""
6480 return _IMP_core.GridClosePairsFinder__set_from_binary(self, p)
6482 def __getstate__(self):
6483 p = self._get_as_binary()
6484 if len(self.__dict__) > 1:
6485 d = self.__dict__.copy()
6490 def __setstate__(self, p):
6491 if not hasattr(self,
'this'):
6493 if isinstance(p, tuple):
6495 self.__dict__.update(d)
6496 return self._set_from_binary(p)
6500 _IMP_core.GridClosePairsFinder_swigregister(GridClosePairsFinder)
6502 r"""Proxy of C++ IMP::core::Harmonic class."""
6504 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6506 def __init__(self, *args):
6508 __init__(Harmonic self, IMP::Float mean, IMP::Float k) -> Harmonic
6509 __init__(Harmonic self) -> Harmonic
6511 _IMP_core.Harmonic_swiginit(self, _IMP_core.new_Harmonic(*args))
6513 def get_version_info(self):
6514 r"""get_version_info(Harmonic self) -> VersionInfo"""
6515 return _IMP_core.Harmonic_get_version_info(self)
6516 __swig_destroy__ = _IMP_core.delete_Harmonic
6519 r"""get_mean(Harmonic self) -> IMP::Float"""
6520 return _IMP_core.Harmonic_get_mean(self)
6523 r"""get_k(Harmonic self) -> IMP::Float"""
6524 return _IMP_core.Harmonic_get_k(self)
6526 def set_mean(self, mean):
6527 r"""set_mean(Harmonic self, IMP::Float mean)"""
6528 return _IMP_core.Harmonic_set_mean(self, mean)
6531 r"""set_k(Harmonic self, IMP::Float k)"""
6532 return _IMP_core.Harmonic_set_k(self, k)
6535 def get_k_from_standard_deviation(sd, t=297.15):
6536 r"""get_k_from_standard_deviation(IMP::Float sd, IMP::Float t=297.15) -> IMP::Float"""
6537 return _IMP_core.Harmonic_get_k_from_standard_deviation(sd, t)
6540 r"""__str__(Harmonic self) -> std::string"""
6541 return _IMP_core.Harmonic___str__(self)
6544 r"""__repr__(Harmonic self) -> std::string"""
6545 return _IMP_core.Harmonic___repr__(self)
6549 return _object_cast_to_Harmonic(o)
6552 def _get_as_binary(self):
6553 r"""_get_as_binary(Harmonic self) -> PyObject *"""
6554 return _IMP_core.Harmonic__get_as_binary(self)
6556 def _set_from_binary(self, p):
6557 r"""_set_from_binary(Harmonic self, PyObject * p)"""
6558 return _IMP_core.Harmonic__set_from_binary(self, p)
6560 def __getstate__(self):
6561 p = self._get_as_binary()
6562 if len(self.__dict__) > 1:
6563 d = self.__dict__.copy()
6568 def __setstate__(self, p):
6569 if not hasattr(self,
'this'):
6571 if isinstance(p, tuple):
6573 self.__dict__.update(d)
6574 return self._set_from_binary(p)
6578 def score(val, mean, k):
6579 return 0.5 * k * (mean - val) ** 2
6580 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6584 _IMP_core.Harmonic_swigregister(Harmonic)
6586 r"""Proxy of C++ IMP::core::HarmonicWell class."""
6588 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6590 def __init__(self, well, k):
6591 r"""__init__(HarmonicWell self, IMP::FloatRange const & well, double k) -> HarmonicWell"""
6592 _IMP_core.HarmonicWell_swiginit(self, _IMP_core.new_HarmonicWell(well, k))
6595 r"""get_well(HarmonicWell self) -> IMP::FloatRange"""
6596 return _IMP_core.HarmonicWell_get_well(self)
6599 r"""get_k(HarmonicWell self) -> double"""
6600 return _IMP_core.HarmonicWell_get_k(self)
6602 def get_version_info(self):
6603 r"""get_version_info(HarmonicWell self) -> VersionInfo"""
6604 return _IMP_core.HarmonicWell_get_version_info(self)
6605 __swig_destroy__ = _IMP_core.delete_HarmonicWell
6608 r"""__str__(HarmonicWell self) -> std::string"""
6609 return _IMP_core.HarmonicWell___str__(self)
6612 r"""__repr__(HarmonicWell self) -> std::string"""
6613 return _IMP_core.HarmonicWell___repr__(self)
6617 return _object_cast_to_HarmonicWell(o)
6621 import jax.numpy
as jnp
6622 def score(val, lb, ub, k):
6623 return 0.5 * k * (val - jnp.clip(val, lb, ub)) ** 2
6624 well = self.get_well()
6625 return functools.partial(score, lb=well[0], ub=well[1], k=self.get_k())
6629 _IMP_core.HarmonicWell_swigregister(HarmonicWell)
6630 class HarmonicLowerBound(Harmonic):
6631 r"""Proxy of C++ IMP::core::HarmonicLowerBound class."""
6633 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6635 def __init__(self, *args):
6637 __init__(HarmonicLowerBound self, IMP::Float mean, IMP::Float k) -> HarmonicLowerBound
6638 __init__(HarmonicLowerBound self) -> HarmonicLowerBound
6640 _IMP_core.HarmonicLowerBound_swiginit(self, _IMP_core.new_HarmonicLowerBound(*args))
6641 __swig_destroy__ = _IMP_core.delete_HarmonicLowerBound
6644 r"""__str__(HarmonicLowerBound self) -> std::string"""
6645 return _IMP_core.HarmonicLowerBound___str__(self)
6648 r"""__repr__(HarmonicLowerBound self) -> std::string"""
6649 return _IMP_core.HarmonicLowerBound___repr__(self)
6653 return _object_cast_to_HarmonicLowerBound(o)
6656 def _get_as_binary(self):
6657 r"""_get_as_binary(HarmonicLowerBound self) -> PyObject *"""
6658 return _IMP_core.HarmonicLowerBound__get_as_binary(self)
6660 def _set_from_binary(self, p):
6661 r"""_set_from_binary(HarmonicLowerBound self, PyObject * p)"""
6662 return _IMP_core.HarmonicLowerBound__set_from_binary(self, p)
6664 def __getstate__(self):
6665 p = self._get_as_binary()
6666 if len(self.__dict__) > 1:
6667 d = self.__dict__.copy()
6672 def __setstate__(self, p):
6673 if not hasattr(self,
'this'):
6675 if isinstance(p, tuple):
6677 self.__dict__.update(d)
6678 return self._set_from_binary(p)
6683 def score(val, mean, k):
6684 return 0.5 * k * jax.lax.max(mean - val, 0.0) ** 2
6685 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6689 _IMP_core.HarmonicLowerBound_swigregister(HarmonicLowerBound)
6690 class HarmonicUpperBound(Harmonic):
6691 r"""Proxy of C++ IMP::core::HarmonicUpperBound class."""
6693 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6695 def __init__(self, *args):
6697 __init__(HarmonicUpperBound self, IMP::Float mean, IMP::Float k) -> HarmonicUpperBound
6698 __init__(HarmonicUpperBound self) -> HarmonicUpperBound
6700 _IMP_core.HarmonicUpperBound_swiginit(self, _IMP_core.new_HarmonicUpperBound(*args))
6701 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBound
6704 r"""__str__(HarmonicUpperBound self) -> std::string"""
6705 return _IMP_core.HarmonicUpperBound___str__(self)
6708 r"""__repr__(HarmonicUpperBound self) -> std::string"""
6709 return _IMP_core.HarmonicUpperBound___repr__(self)
6713 return _object_cast_to_HarmonicUpperBound(o)
6716 def _get_as_binary(self):
6717 r"""_get_as_binary(HarmonicUpperBound self) -> PyObject *"""
6718 return _IMP_core.HarmonicUpperBound__get_as_binary(self)
6720 def _set_from_binary(self, p):
6721 r"""_set_from_binary(HarmonicUpperBound self, PyObject * p)"""
6722 return _IMP_core.HarmonicUpperBound__set_from_binary(self, p)
6724 def __getstate__(self):
6725 p = self._get_as_binary()
6726 if len(self.__dict__) > 1:
6727 d = self.__dict__.copy()
6732 def __setstate__(self, p):
6733 if not hasattr(self,
'this'):
6735 if isinstance(p, tuple):
6737 self.__dict__.update(d)
6738 return self._set_from_binary(p)
6743 def score(val, mean, k):
6744 return 0.5 * k * jax.lax.min(mean - val, 0.0) ** 2
6745 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6749 _IMP_core.HarmonicUpperBound_swigregister(HarmonicUpperBound)
6751 r"""Proxy of C++ IMP::core::WeightedSum class."""
6753 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6755 def __init__(self, funcs, weights):
6756 r"""__init__(WeightedSum self, IMP::UnaryFunctions funcs, IMP::Floats weights) -> WeightedSum"""
6757 _IMP_core.WeightedSum_swiginit(self, _IMP_core.new_WeightedSum(funcs, weights))
6759 def get_function_number(self):
6760 r"""get_function_number(WeightedSum self) -> unsigned int"""
6761 return _IMP_core.WeightedSum_get_function_number(self)
6763 def set_weights(self, weights):
6764 r"""set_weights(WeightedSum self, IMP::Floats weights)"""
6765 return _IMP_core.WeightedSum_set_weights(self, weights)
6767 def get_weights(self):
6768 r"""get_weights(WeightedSum self) -> IMP::Floats"""
6769 return _IMP_core.WeightedSum_get_weights(self)
6771 def get_weight(self, i):
6772 r"""get_weight(WeightedSum self, unsigned int i) -> double"""
6773 return _IMP_core.WeightedSum_get_weight(self, i)
6775 def get_function(self, i):
6776 r"""get_function(WeightedSum self, unsigned int i) -> UnaryFunction"""
6777 return _IMP_core.WeightedSum_get_function(self, i)
6779 def get_version_info(self):
6780 r"""get_version_info(WeightedSum self) -> VersionInfo"""
6781 return _IMP_core.WeightedSum_get_version_info(self)
6782 __swig_destroy__ = _IMP_core.delete_WeightedSum
6785 r"""__str__(WeightedSum self) -> std::string"""
6786 return _IMP_core.WeightedSum___str__(self)
6789 r"""__repr__(WeightedSum self) -> std::string"""
6790 return _IMP_core.WeightedSum___repr__(self)
6794 return _object_cast_to_WeightedSum(o)
6798 import jax.numpy
as jnp
6799 def score(val, funcs, weights):
6800 return sum(f(val) * weight
for (f, weight)
in zip(funcs, weights))
6801 nfunc = self.get_function_number()
6802 funcs = [self.get_function(i).get_derived_object()._get_jax()
6803 for i
in range(nfunc)]
6804 return functools.partial(score, funcs=funcs,
6805 weights=self.get_weights())
6809 _IMP_core.WeightedSum_swigregister(WeightedSum)
6811 r"""Proxy of C++ IMP::core::WeightedSumOfExponential class."""
6813 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6815 def __init__(self, funcs, weights, denom=1.0):
6816 r"""__init__(WeightedSumOfExponential self, IMP::UnaryFunctions funcs, IMP::Floats weights, IMP::Float denom=1.0) -> WeightedSumOfExponential"""
6817 _IMP_core.WeightedSumOfExponential_swiginit(self, _IMP_core.new_WeightedSumOfExponential(funcs, weights, denom))
6819 def get_function_number(self):
6820 r"""get_function_number(WeightedSumOfExponential self) -> unsigned int"""
6821 return _IMP_core.WeightedSumOfExponential_get_function_number(self)
6823 def set_weights(self, weights):
6824 r"""set_weights(WeightedSumOfExponential self, IMP::Floats weights)"""
6825 return _IMP_core.WeightedSumOfExponential_set_weights(self, weights)
6827 def get_weights(self):
6828 r"""get_weights(WeightedSumOfExponential self) -> IMP::Floats"""
6829 return _IMP_core.WeightedSumOfExponential_get_weights(self)
6831 def get_weight(self, i):
6832 r"""get_weight(WeightedSumOfExponential self, unsigned int i) -> double"""
6833 return _IMP_core.WeightedSumOfExponential_get_weight(self, i)
6835 def get_function(self, i):
6836 r"""get_function(WeightedSumOfExponential self, unsigned int i) -> UnaryFunction"""
6837 return _IMP_core.WeightedSumOfExponential_get_function(self, i)
6839 def set_denominator(self, denom):
6840 r"""set_denominator(WeightedSumOfExponential self, double denom)"""
6841 return _IMP_core.WeightedSumOfExponential_set_denominator(self, denom)
6843 def get_denominator(self):
6844 r"""get_denominator(WeightedSumOfExponential self) -> double"""
6845 return _IMP_core.WeightedSumOfExponential_get_denominator(self)
6847 def get_version_info(self):
6848 r"""get_version_info(WeightedSumOfExponential self) -> VersionInfo"""
6849 return _IMP_core.WeightedSumOfExponential_get_version_info(self)
6850 __swig_destroy__ = _IMP_core.delete_WeightedSumOfExponential
6853 r"""__str__(WeightedSumOfExponential self) -> std::string"""
6854 return _IMP_core.WeightedSumOfExponential___str__(self)
6857 r"""__repr__(WeightedSumOfExponential self) -> std::string"""
6858 return _IMP_core.WeightedSumOfExponential___repr__(self)
6862 return _object_cast_to_WeightedSumOfExponential(o)
6866 import jax.numpy
as jnp
6867 def score(val, funcs, weights, denom):
6868 exp_sum = sum(weight * jnp.exp(-f(val) / denom)
6869 for (f, weight)
in zip(funcs, weights))
6870 return -jnp.log(exp_sum) * denom
6871 nfunc = self.get_function_number()
6872 funcs = [self.get_function(i).get_derived_object()._get_jax()
6873 for i
in range(nfunc)]
6874 return functools.partial(score, funcs=funcs,
6875 weights=self.get_weights(),
6876 denom=self.get_denominator())
6880 _IMP_core.WeightedSumOfExponential_swigregister(WeightedSumOfExponential)
6882 r"""Proxy of C++ IMP::core::MSConnectivityRestraint class."""
6884 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6886 def __init__(self, m, ps, eps=0.1):
6887 r"""__init__(MSConnectivityRestraint self, Model m, PairScore ps, double eps=0.1) -> MSConnectivityRestraint"""
6888 _IMP_core.MSConnectivityRestraint_swiginit(self, _IMP_core.new_MSConnectivityRestraint(m, ps, eps))
6890 def add_type(self, ps):
6891 r"""add_type(MSConnectivityRestraint self, IMP::ParticlesTemp const & ps) -> unsigned int"""
6892 return _IMP_core.MSConnectivityRestraint_add_type(self, ps)
6894 def add_composite(self, *args):
6896 add_composite(MSConnectivityRestraint self, IMP::Ints const & components) -> unsigned int
6897 add_composite(MSConnectivityRestraint self, IMP::Ints const & components, unsigned int parent) -> unsigned int
6899 return _IMP_core.MSConnectivityRestraint_add_composite(self, *args)
6901 def get_connected_pairs(self):
6902 r"""get_connected_pairs(MSConnectivityRestraint self) -> IMP::ParticlePairsTemp"""
6903 return _IMP_core.MSConnectivityRestraint_get_connected_pairs(self)
6905 def get_pair_score(self):
6906 r"""get_pair_score(MSConnectivityRestraint self) -> PairScore"""
6907 return _IMP_core.MSConnectivityRestraint_get_pair_score(self)
6909 def do_create_current_decomposition(self):
6910 r"""do_create_current_decomposition(MSConnectivityRestraint self) -> IMP::Restraints"""
6911 return _IMP_core.MSConnectivityRestraint_do_create_current_decomposition(self)
6913 def do_get_inputs(self):
6914 r"""do_get_inputs(MSConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
6915 return _IMP_core.MSConnectivityRestraint_do_get_inputs(self)
6917 def get_version_info(self):
6918 r"""get_version_info(MSConnectivityRestraint self) -> VersionInfo"""
6919 return _IMP_core.MSConnectivityRestraint_get_version_info(self)
6920 __swig_destroy__ = _IMP_core.delete_MSConnectivityRestraint
6923 r"""__str__(MSConnectivityRestraint self) -> std::string"""
6924 return _IMP_core.MSConnectivityRestraint___str__(self)
6927 r"""__repr__(MSConnectivityRestraint self) -> std::string"""
6928 return _IMP_core.MSConnectivityRestraint___repr__(self)
6932 return _object_cast_to_MSConnectivityRestraint(o)
6936 _IMP_core.MSConnectivityRestraint_swigregister(MSConnectivityRestraint)
6937 class HierarchyTraits(object):
6938 r"""Proxy of C++ IMP::core::HierarchyTraits class."""
6940 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6942 def __init__(self, *args):
6944 __init__(HierarchyTraits self) -> HierarchyTraits
6945 __init__(HierarchyTraits self, std::string name) -> HierarchyTraits
6947 _IMP_core.HierarchyTraits_swiginit(self, _IMP_core.new_HierarchyTraits(*args))
6949 def get_children_key(self):
6950 r"""get_children_key(HierarchyTraits self) -> ParticleIndexesKey"""
6951 return _IMP_core.HierarchyTraits_get_children_key(self)
6953 def get_parent_key(self):
6954 r"""get_parent_key(HierarchyTraits self) -> ParticleIndexKey"""
6955 return _IMP_core.HierarchyTraits_get_parent_key(self)
6957 def __eq__(self, o):
6958 r"""__eq__(HierarchyTraits self, HierarchyTraits o) -> bool"""
6959 return _IMP_core.HierarchyTraits___eq__(self, o)
6961 def show(self, *args):
6962 r"""show(HierarchyTraits self, _ostream out=std::cout)"""
6963 return _IMP_core.HierarchyTraits_show(self, *args)
6966 r"""__str__(HierarchyTraits self) -> std::string"""
6967 return _IMP_core.HierarchyTraits___str__(self)
6970 r"""__repr__(HierarchyTraits self) -> std::string"""
6971 return _IMP_core.HierarchyTraits___repr__(self)
6972 __swig_destroy__ = _IMP_core.delete_HierarchyTraits
6975 _IMP_core.HierarchyTraits_swigregister(HierarchyTraits)
6977 r"""Proxy of C++ IMP::core::Hierarchy class."""
6979 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6981 def get_decorator_traits(self):
6982 r"""get_decorator_traits(Hierarchy self) -> HierarchyTraits"""
6983 return _IMP_core.Hierarchy_get_decorator_traits(self)
6986 def get_default_decorator_traits():
6987 r"""get_default_decorator_traits() -> HierarchyTraits"""
6988 return _IMP_core.Hierarchy_get_default_decorator_traits()
6990 def __init__(self, *args):
6992 __init__(Hierarchy self) -> Hierarchy
6993 __init__(Hierarchy self, Model m, ParticleIndex id, HierarchyTraits tr=get_default_traits()) -> Hierarchy
6994 __init__(Hierarchy self, _ParticleAdaptor d, HierarchyTraits tr=get_default_traits()) -> Hierarchy
6996 _IMP_core.Hierarchy_swiginit(self, _IMP_core.new_Hierarchy(*args))
6998 def show(self, *args):
6999 r"""show(Hierarchy self, _ostream out=std::cout)"""
7000 return _IMP_core.Hierarchy_show(self, *args)
7003 def setup_particle(*args):
7005 setup_particle(Model m, ParticleIndex pi, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7006 setup_particle(_ParticleAdaptor d, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7007 setup_particle(Model m, ParticleIndex pi, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7008 setup_particle(_ParticleAdaptor d, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7009 setup_particle(Model m, ParticleIndex pi, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7010 setup_particle(_ParticleAdaptor d, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7012 return _IMP_core.Hierarchy_setup_particle(*args)
7015 def get_is_setup(*args):
7017 get_is_setup(_ParticleAdaptor p, HierarchyTraits tr=get_default_traits()) -> bool
7018 get_is_setup(Model arg1, ParticleIndex arg2, HierarchyTraits arg3=Hierarchy::get_default_traits()) -> bool
7020 return _IMP_core.Hierarchy_get_is_setup(*args)
7023 def get_changed_key():
7024 r"""get_changed_key() -> TriggerKey"""
7025 return _IMP_core.Hierarchy_get_changed_key()
7027 def get_parent(self):
7028 r"""get_parent(Hierarchy self) -> Hierarchy"""
7029 return _IMP_core.Hierarchy_get_parent(self)
7031 def get_number_of_children(self):
7032 r"""get_number_of_children(Hierarchy self) -> unsigned int"""
7033 return _IMP_core.Hierarchy_get_number_of_children(self)
7035 def get_child(self, i):
7036 r"""get_child(Hierarchy self, unsigned int i) -> Hierarchy"""
7037 return _IMP_core.Hierarchy_get_child(self, i)
7039 def get_children_indexes(self):
7040 r"""get_children_indexes(Hierarchy self) -> IMP::ParticleIndexes"""
7041 return _IMP_core.Hierarchy_get_children_indexes(self)
7043 def get_children(self):
7044 r"""get_children(Hierarchy self) -> IMP::core::GenericHierarchies"""
7045 return _IMP_core.Hierarchy_get_children(self)
7047 def remove_child(self, *args):
7049 remove_child(Hierarchy self, unsigned int i)
7050 remove_child(Hierarchy self, Hierarchy h)
7052 return _IMP_core.Hierarchy_remove_child(self, *args)
7054 def clear_children(self):
7055 r"""clear_children(Hierarchy self)"""
7056 return _IMP_core.Hierarchy_clear_children(self)
7058 def add_child(self, h):
7059 r"""add_child(Hierarchy self, Hierarchy h)"""
7060 return _IMP_core.Hierarchy_add_child(self, h)
7062 def add_child_at(self, h, pos):
7063 r"""add_child_at(Hierarchy self, Hierarchy h, unsigned int pos)"""
7064 return _IMP_core.Hierarchy_add_child_at(self, h, pos)
7066 def get_child_index(self, *args):
7068 get_child_index(Hierarchy self, unsigned int i) -> ParticleIndex
7069 get_child_index(Hierarchy self) -> int
7071 return _IMP_core.Hierarchy_get_child_index(self, *args)
7074 def get_default_traits():
7075 r"""get_default_traits() -> HierarchyTraits"""
7076 return _IMP_core.Hierarchy_get_default_traits()
7078 def get_traits(self):
7079 r"""get_traits(Hierarchy self) -> HierarchyTraits"""
7080 return _IMP_core.Hierarchy_get_traits(self)
7082 def add_attribute(self, *args):
7084 add_attribute(Hierarchy self, FloatKey k, IMP::Float v, bool opt)
7085 add_attribute(Hierarchy self, FloatKey a0, IMP::Float a1)
7086 add_attribute(Hierarchy self, IntKey a0, IMP::Int a1)
7087 add_attribute(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7088 add_attribute(Hierarchy self, IntsKey a0, IMP::Ints a1)
7089 add_attribute(Hierarchy self, StringKey a0, IMP::String a1)
7090 add_attribute(Hierarchy self, ParticleIndexKey a0, Particle a1)
7091 add_attribute(Hierarchy self, ObjectKey a0, Object a1)
7092 add_attribute(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7093 add_attribute(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7094 add_attribute(Hierarchy self, SparseStringKey a0, IMP::String a1)
7095 add_attribute(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7097 return _IMP_core.Hierarchy_add_attribute(self, *args)
7099 def get_value(self, *args):
7101 get_value(Hierarchy self, FloatKey a0) -> IMP::Float
7102 get_value(Hierarchy self, IntKey a0) -> IMP::Int
7103 get_value(Hierarchy self, FloatsKey a0) -> IMP::Floats
7104 get_value(Hierarchy self, IntsKey a0) -> IMP::Ints
7105 get_value(Hierarchy self, StringKey a0) -> IMP::String
7106 get_value(Hierarchy self, ParticleIndexKey a0) -> Particle
7107 get_value(Hierarchy self, ObjectKey a0) -> Object
7108 get_value(Hierarchy self, SparseFloatKey a0) -> IMP::Float
7109 get_value(Hierarchy self, SparseIntKey a0) -> IMP::Int
7110 get_value(Hierarchy self, SparseStringKey a0) -> IMP::String
7111 get_value(Hierarchy self, SparseParticleIndexKey a0) -> ParticleIndex
7113 return _IMP_core.Hierarchy_get_value(self, *args)
7115 def set_value(self, *args):
7117 set_value(Hierarchy self, FloatKey a0, IMP::Float a1)
7118 set_value(Hierarchy self, IntKey a0, IMP::Int a1)
7119 set_value(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7120 set_value(Hierarchy self, IntsKey a0, IMP::Ints a1)
7121 set_value(Hierarchy self, StringKey a0, IMP::String a1)
7122 set_value(Hierarchy self, ParticleIndexKey a0, Particle a1)
7123 set_value(Hierarchy self, ObjectKey a0, Object a1)
7124 set_value(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7125 set_value(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7126 set_value(Hierarchy self, SparseStringKey a0, IMP::String a1)
7127 set_value(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7129 return _IMP_core.Hierarchy_set_value(self, *args)
7131 def remove_attribute(self, *args):
7133 remove_attribute(Hierarchy self, FloatKey a0)
7134 remove_attribute(Hierarchy self, IntKey a0)
7135 remove_attribute(Hierarchy self, FloatsKey a0)
7136 remove_attribute(Hierarchy self, IntsKey a0)
7137 remove_attribute(Hierarchy self, StringKey a0)
7138 remove_attribute(Hierarchy self, ParticleIndexKey a0)
7139 remove_attribute(Hierarchy self, ObjectKey a0)
7140 remove_attribute(Hierarchy self, SparseFloatKey a0)
7141 remove_attribute(Hierarchy self, SparseIntKey a0)
7142 remove_attribute(Hierarchy self, SparseStringKey a0)
7143 remove_attribute(Hierarchy self, SparseParticleIndexKey a0)
7145 return _IMP_core.Hierarchy_remove_attribute(self, *args)
7147 def has_attribute(self, *args):
7149 has_attribute(Hierarchy self, FloatKey a0) -> bool
7150 has_attribute(Hierarchy self, IntKey a0) -> bool
7151 has_attribute(Hierarchy self, FloatsKey a0) -> bool
7152 has_attribute(Hierarchy self, IntsKey a0) -> bool
7153 has_attribute(Hierarchy self, StringKey a0) -> bool
7154 has_attribute(Hierarchy self, ParticleIndexKey a0) -> bool
7155 has_attribute(Hierarchy self, ObjectKey a0) -> bool
7156 has_attribute(Hierarchy self, SparseFloatKey a0) -> bool
7157 has_attribute(Hierarchy self, SparseIntKey a0) -> bool
7158 has_attribute(Hierarchy self, SparseStringKey a0) -> bool
7159 has_attribute(Hierarchy self, SparseParticleIndexKey a0) -> bool
7161 return _IMP_core.Hierarchy_has_attribute(self, *args)
7163 def get_derivative(self, a0):
7164 r"""get_derivative(Hierarchy self, FloatKey a0) -> double"""
7165 return _IMP_core.Hierarchy_get_derivative(self, a0)
7168 r"""get_name(Hierarchy self) -> std::string"""
7169 return _IMP_core.Hierarchy_get_name(self)
7171 def clear_caches(self):
7172 r"""clear_caches(Hierarchy self)"""
7173 return _IMP_core.Hierarchy_clear_caches(self)
7175 def set_name(self, a0):
7176 r"""set_name(Hierarchy self, std::string a0)"""
7177 return _IMP_core.Hierarchy_set_name(self, a0)
7180 r"""set_check_level(Hierarchy self, IMP::CheckLevel a0)"""
7181 return _IMP_core.Hierarchy_set_check_level(self, a0)
7183 def add_to_derivative(self, a0, a1, a2):
7184 r"""add_to_derivative(Hierarchy self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7185 return _IMP_core.Hierarchy_add_to_derivative(self, a0, a1, a2)
7187 def set_is_optimized(self, a0, a1):
7188 r"""set_is_optimized(Hierarchy self, FloatKey a0, bool a1)"""
7189 return _IMP_core.Hierarchy_set_is_optimized(self, a0, a1)
7191 def get_is_optimized(self, a0):
7192 r"""get_is_optimized(Hierarchy self, FloatKey a0) -> bool"""
7193 return _IMP_core.Hierarchy_get_is_optimized(self, a0)
7196 r"""get_check_level(Hierarchy self) -> IMP::CheckLevel"""
7197 return _IMP_core.Hierarchy_get_check_level(self)
7199 def __eq__(self, *args):
7201 __eq__(Hierarchy self, Hierarchy o) -> bool
7202 __eq__(Hierarchy self, Particle d) -> bool
7204 return _IMP_core.Hierarchy___eq__(self, *args)
7206 def __ne__(self, *args):
7208 __ne__(Hierarchy self, Hierarchy o) -> bool
7209 __ne__(Hierarchy self, Particle d) -> bool
7211 return _IMP_core.Hierarchy___ne__(self, *args)
7213 def __le__(self, *args):
7215 __le__(Hierarchy self, Hierarchy o) -> bool
7216 __le__(Hierarchy self, Particle d) -> bool
7218 return _IMP_core.Hierarchy___le__(self, *args)
7220 def __lt__(self, *args):
7222 __lt__(Hierarchy self, Hierarchy o) -> bool
7223 __lt__(Hierarchy self, Particle d) -> bool
7225 return _IMP_core.Hierarchy___lt__(self, *args)
7227 def __ge__(self, *args):
7229 __ge__(Hierarchy self, Hierarchy o) -> bool
7230 __ge__(Hierarchy self, Particle d) -> bool
7232 return _IMP_core.Hierarchy___ge__(self, *args)
7234 def __gt__(self, *args):
7236 __gt__(Hierarchy self, Hierarchy o) -> bool
7237 __gt__(Hierarchy self, Particle d) -> bool
7239 return _IMP_core.Hierarchy___gt__(self, *args)
7242 r"""__hash__(Hierarchy self) -> std::size_t"""
7243 return _IMP_core.Hierarchy___hash__(self)
7246 r"""__str__(Hierarchy self) -> std::string"""
7247 return _IMP_core.Hierarchy___str__(self)
7250 r"""__repr__(Hierarchy self) -> std::string"""
7251 return _IMP_core.Hierarchy___repr__(self)
7252 __swig_destroy__ = _IMP_core.delete_Hierarchy
7255 _IMP_core.Hierarchy_swigregister(Hierarchy)
7256 class HierarchyVisitor(object):
7257 r"""Proxy of C++ IMP::core::HierarchyVisitor class."""
7259 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7260 __repr__ = _swig_repr
7263 r"""__init__(HierarchyVisitor self) -> HierarchyVisitor"""
7264 if self.__class__ == HierarchyVisitor:
7268 _IMP_core.HierarchyVisitor_swiginit(self, _IMP_core.new_HierarchyVisitor(_self, ))
7270 if self.__class__ != HierarchyVisitor:
7271 _director_objects.register(self)
7276 def __call__(self, p):
7277 r"""__call__(HierarchyVisitor self, Hierarchy p) -> bool"""
7278 return _IMP_core.HierarchyVisitor___call__(self, p)
7279 __swig_destroy__ = _IMP_core.delete_HierarchyVisitor
7280 def __disown__(self):
7282 _IMP_core.disown_HierarchyVisitor(self)
7283 return weakref.proxy(self)
7286 _IMP_core.HierarchyVisitor_swigregister(HierarchyVisitor)
7287 class ModifierVisitor(HierarchyVisitor):
7288 r"""Proxy of C++ IMP::core::ModifierVisitor class."""
7290 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7291 __repr__ = _swig_repr
7293 def __init__(self, sm):
7294 r"""__init__(ModifierVisitor self, SingletonModifier sm) -> ModifierVisitor"""
7295 _IMP_core.ModifierVisitor_swiginit(self, _IMP_core.new_ModifierVisitor(sm))
7296 __swig_destroy__ = _IMP_core.delete_ModifierVisitor
7299 _IMP_core.ModifierVisitor_swigregister(ModifierVisitor)
7300 class HierarchyCounter(HierarchyVisitor):
7301 r"""Proxy of C++ IMP::core::HierarchyCounter class."""
7303 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7306 r"""__init__(HierarchyCounter self) -> HierarchyCounter"""
7307 _IMP_core.HierarchyCounter_swiginit(self, _IMP_core.new_HierarchyCounter())
7309 def get_count(self):
7310 r"""get_count(HierarchyCounter self) -> unsigned int"""
7311 return _IMP_core.HierarchyCounter_get_count(self)
7313 def show(self, *args):
7314 r"""show(HierarchyCounter self, _ostream out=std::cout)"""
7315 return _IMP_core.HierarchyCounter_show(self, *args)
7318 r"""__str__(HierarchyCounter self) -> std::string"""
7319 return _IMP_core.HierarchyCounter___str__(self)
7322 r"""__repr__(HierarchyCounter self) -> std::string"""
7323 return _IMP_core.HierarchyCounter___repr__(self)
7325 def _get_as_binary(self):
7326 r"""_get_as_binary(HierarchyCounter self) -> PyObject *"""
7327 return _IMP_core.HierarchyCounter__get_as_binary(self)
7329 def _set_from_binary(self, p):
7330 r"""_set_from_binary(HierarchyCounter self, PyObject * p)"""
7331 return _IMP_core.HierarchyCounter__set_from_binary(self, p)
7333 def __getstate__(self):
7334 p = self._get_as_binary()
7335 if len(self.__dict__) > 1:
7336 d = self.__dict__.copy()
7341 def __setstate__(self, p):
7342 if not hasattr(self,
'this'):
7344 if isinstance(p, tuple):
7346 self.__dict__.update(d)
7347 return self._set_from_binary(p)
7349 __swig_destroy__ = _IMP_core.delete_HierarchyCounter
7352 _IMP_core.HierarchyCounter_swigregister(HierarchyCounter)
7355 r"""get_leaves(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7356 return _IMP_core.get_leaves(mhd)
7359 r"""get_internal(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7360 return _IMP_core.get_internal(mhd)
7363 r"""get_all_descendants(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7364 return _IMP_core.get_all_descendants(mhd)
7367 r"""get_root(Hierarchy h) -> Hierarchy"""
7368 return _IMP_core.get_root(h)
7371 r"""visit_breadth_first(Hierarchy d, HierarchyVisitor f)"""
7372 return _IMP_core.visit_breadth_first(d, f)
7375 r"""visit_depth_first(Hierarchy d, HierarchyVisitor f)"""
7376 return _IMP_core.visit_depth_first(d, f)
7378 r"""Proxy of C++ IMP::core::LeavesRefiner class."""
7380 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7382 def __init__(self, tr):
7383 r"""__init__(LeavesRefiner self, HierarchyTraits tr) -> LeavesRefiner"""
7384 _IMP_core.LeavesRefiner_swiginit(self, _IMP_core.new_LeavesRefiner(tr))
7386 def do_get_inputs(self, m, pis):
7387 r"""do_get_inputs(LeavesRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7388 return _IMP_core.LeavesRefiner_do_get_inputs(self, m, pis)
7390 def get_version_info(self):
7391 r"""get_version_info(LeavesRefiner self) -> VersionInfo"""
7392 return _IMP_core.LeavesRefiner_get_version_info(self)
7393 __swig_destroy__ = _IMP_core.delete_LeavesRefiner
7396 r"""__str__(LeavesRefiner self) -> std::string"""
7397 return _IMP_core.LeavesRefiner___str__(self)
7400 r"""__repr__(LeavesRefiner self) -> std::string"""
7401 return _IMP_core.LeavesRefiner___repr__(self)
7405 return _object_cast_to_LeavesRefiner(o)
7409 _IMP_core.LeavesRefiner_swigregister(LeavesRefiner)
7411 r"""Proxy of C++ IMP::core::Linear class."""
7413 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7415 def __init__(self, *args):
7417 __init__(Linear self, double offset, double slope) -> Linear
7418 __init__(Linear self) -> Linear
7420 _IMP_core.Linear_swiginit(self, _IMP_core.new_Linear(*args))
7422 def set_slope(self, f):
7423 r"""set_slope(Linear self, double f)"""
7424 return _IMP_core.Linear_set_slope(self, f)
7426 def get_slope(self):
7427 r"""get_slope(Linear self) -> double"""
7428 return _IMP_core.Linear_get_slope(self)
7430 def set_offset(self, f):
7431 r"""set_offset(Linear self, double f)"""
7432 return _IMP_core.Linear_set_offset(self, f)
7434 def get_offset(self):
7435 r"""get_offset(Linear self) -> double"""
7436 return _IMP_core.Linear_get_offset(self)
7438 def get_version_info(self):
7439 r"""get_version_info(Linear self) -> VersionInfo"""
7440 return _IMP_core.Linear_get_version_info(self)
7441 __swig_destroy__ = _IMP_core.delete_Linear
7444 r"""__str__(Linear self) -> std::string"""
7445 return _IMP_core.Linear___str__(self)
7448 r"""__repr__(Linear self) -> std::string"""
7449 return _IMP_core.Linear___repr__(self)
7453 return _object_cast_to_Linear(o)
7456 def _get_as_binary(self):
7457 r"""_get_as_binary(Linear self) -> PyObject *"""
7458 return _IMP_core.Linear__get_as_binary(self)
7460 def _set_from_binary(self, p):
7461 r"""_set_from_binary(Linear self, PyObject * p)"""
7462 return _IMP_core.Linear__set_from_binary(self, p)
7464 def __getstate__(self):
7465 p = self._get_as_binary()
7466 if len(self.__dict__) > 1:
7467 d = self.__dict__.copy()
7472 def __setstate__(self, p):
7473 if not hasattr(self,
'this'):
7475 if isinstance(p, tuple):
7477 self.__dict__.update(d)
7478 return self._set_from_binary(p)
7482 def score(val, slope, offset):
7483 return (val - offset) * slope
7484 return functools.partial(score, slope=self.get_slope(),
7485 offset=self.get_offset())
7489 _IMP_core.Linear_swigregister(Linear)
7490 class LogNormalMover(MonteCarloMover):
7491 r"""Proxy of C++ IMP::core::LogNormalMover class."""
7493 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7495 def __init__(self, *args):
7497 __init__(LogNormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> LogNormalMover
7498 __init__(LogNormalMover self, Model m, ParticleIndex pi, double stddev) -> LogNormalMover
7499 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> LogNormalMover
7500 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> LogNormalMover
7501 __init__(LogNormalMover self) -> LogNormalMover
7503 _IMP_core.LogNormalMover_swiginit(self, _IMP_core.new_LogNormalMover(*args))
7505 def set_sigma(self, sigma):
7506 r"""set_sigma(LogNormalMover self, IMP::Float sigma)"""
7507 return _IMP_core.LogNormalMover_set_sigma(self, sigma)
7509 def get_sigma(self):
7510 r"""get_sigma(LogNormalMover self) -> IMP::Float"""
7511 return _IMP_core.LogNormalMover_get_sigma(self)
7513 def get_version_info(self):
7514 r"""get_version_info(LogNormalMover self) -> VersionInfo"""
7515 return _IMP_core.LogNormalMover_get_version_info(self)
7516 __swig_destroy__ = _IMP_core.delete_LogNormalMover
7519 r"""__str__(LogNormalMover self) -> std::string"""
7520 return _IMP_core.LogNormalMover___str__(self)
7523 r"""__repr__(LogNormalMover self) -> std::string"""
7524 return _IMP_core.LogNormalMover___repr__(self)
7528 return _object_cast_to_LogNormalMover(o)
7531 def _get_as_binary(self):
7532 r"""_get_as_binary(LogNormalMover self) -> PyObject *"""
7533 return _IMP_core.LogNormalMover__get_as_binary(self)
7535 def _set_from_binary(self, p):
7536 r"""_set_from_binary(LogNormalMover self, PyObject * p)"""
7537 return _IMP_core.LogNormalMover__set_from_binary(self, p)
7539 def __getstate__(self):
7540 p = self._get_as_binary()
7541 if len(self.__dict__) > 1:
7542 d = self.__dict__.copy()
7547 def __setstate__(self, p):
7548 if not hasattr(self,
'this'):
7550 if isinstance(p, tuple):
7552 self.__dict__.update(d)
7553 return self._set_from_binary(p)
7557 _IMP_core.LogNormalMover_swigregister(LogNormalMover)
7558 IMP_CORE_HAS_MONTE_CARLO_MOVER = _IMP_core.IMP_CORE_HAS_MONTE_CARLO_MOVER
7561 r"""Proxy of C++ IMP::core::MonteCarlo class."""
7563 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7565 def __init__(self, m):
7566 r"""__init__(MonteCarlo self, Model m) -> MonteCarlo"""
7567 _IMP_core.MonteCarlo_swiginit(self, _IMP_core.new_MonteCarlo(m))
7569 def get_version_info(self):
7570 r"""get_version_info(MonteCarlo self) -> VersionInfo"""
7571 return _IMP_core.MonteCarlo_get_version_info(self)
7572 __swig_destroy__ = _IMP_core.delete_MonteCarlo
7574 def set_return_best(self, tf):
7575 r"""set_return_best(MonteCarlo self, bool tf)"""
7576 return _IMP_core.MonteCarlo_set_return_best(self, tf)
7578 def get_return_best(self):
7579 r"""get_return_best(MonteCarlo self) -> bool"""
7580 return _IMP_core.MonteCarlo_get_return_best(self)
7582 def set_score_moved(self, mv):
7583 r"""set_score_moved(MonteCarlo self, bool mv)"""
7584 return _IMP_core.MonteCarlo_set_score_moved(self, mv)
7586 def set_kt(self, t):
7587 r"""set_kt(MonteCarlo self, IMP::Float t)"""
7588 return _IMP_core.MonteCarlo_set_kt(self, t)
7591 r"""get_kt(MonteCarlo self) -> IMP::Float"""
7592 return _IMP_core.MonteCarlo_get_kt(self)
7594 def get_last_accepted_energy(self):
7595 r"""get_last_accepted_energy(MonteCarlo self) -> double"""
7596 return _IMP_core.MonteCarlo_get_last_accepted_energy(self)
7598 def set_last_accepted_energy(self, energy):
7599 r"""set_last_accepted_energy(MonteCarlo self, double energy)"""
7600 return _IMP_core.MonteCarlo_set_last_accepted_energy(self, energy)
7602 def get_best_accepted_energy(self):
7603 r"""get_best_accepted_energy(MonteCarlo self) -> double"""
7604 return _IMP_core.MonteCarlo_get_best_accepted_energy(self)
7606 def set_best_accepted_energy(self, energy):
7607 r"""set_best_accepted_energy(MonteCarlo self, double energy)"""
7608 return _IMP_core.MonteCarlo_set_best_accepted_energy(self, energy)
7610 def get_number_of_downward_steps(self):
7611 r"""get_number_of_downward_steps(MonteCarlo self) -> unsigned int"""
7612 return _IMP_core.MonteCarlo_get_number_of_downward_steps(self)
7614 def get_number_of_upward_steps(self):
7615 r"""get_number_of_upward_steps(MonteCarlo self) -> unsigned int"""
7616 return _IMP_core.MonteCarlo_get_number_of_upward_steps(self)
7618 def get_number_of_proposed_steps(self):
7619 r"""get_number_of_proposed_steps(MonteCarlo self) -> unsigned int"""
7620 return _IMP_core.MonteCarlo_get_number_of_proposed_steps(self)
7622 def get_number_of_accepted_steps(self):
7623 r"""get_number_of_accepted_steps(MonteCarlo self) -> unsigned int"""
7624 return _IMP_core.MonteCarlo_get_number_of_accepted_steps(self)
7626 def set_number_of_downward_steps(self, nsteps):
7627 r"""set_number_of_downward_steps(MonteCarlo self, unsigned int nsteps)"""
7628 return _IMP_core.MonteCarlo_set_number_of_downward_steps(self, nsteps)
7630 def set_number_of_upward_steps(self, nsteps):
7631 r"""set_number_of_upward_steps(MonteCarlo self, unsigned int nsteps)"""
7632 return _IMP_core.MonteCarlo_set_number_of_upward_steps(self, nsteps)
7634 def set_number_of_rejected_steps(self, nsteps):
7635 r"""set_number_of_rejected_steps(MonteCarlo self, unsigned int nsteps)"""
7636 return _IMP_core.MonteCarlo_set_number_of_rejected_steps(self, nsteps)
7638 def reset_statistics(self):
7639 r"""reset_statistics(MonteCarlo self)"""
7640 return _IMP_core.MonteCarlo_reset_statistics(self)
7642 def set_score_threshold(self, s):
7643 r"""set_score_threshold(MonteCarlo self, double s)"""
7644 return _IMP_core.MonteCarlo_set_score_threshold(self, s)
7646 def get_score_threshold(self):
7647 r"""get_score_threshold(MonteCarlo self) -> double"""
7648 return _IMP_core.MonteCarlo_get_score_threshold(self)
7650 def set_maximum_difference(self, d):
7651 r"""set_maximum_difference(MonteCarlo self, double d)"""
7652 return _IMP_core.MonteCarlo_set_maximum_difference(self, d)
7654 def get_maximum_difference(self):
7655 r"""get_maximum_difference(MonteCarlo self) -> double"""
7656 return _IMP_core.MonteCarlo_get_maximum_difference(self)
7657 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)
7658 def __set_movers(self, obj): IMP._list_util.set_varlist(self.movers, obj)
7659 def __del_movers(self): IMP._list_util.del_varlist(self.movers)
7660 movers = property(__get_movers, __set_movers, __del_movers, doc=
"List of ##ucnames")
7662 def remove_mover(self, d):
7663 r"""remove_mover(MonteCarlo self, MonteCarloMover d)"""
7664 return _IMP_core.MonteCarlo_remove_mover(self, d)
7666 def _python_index_mover(self, d, start, stop):
7667 r"""_python_index_mover(MonteCarlo self, MonteCarloMover d, unsigned int start, unsigned int stop) -> unsigned int"""
7668 return _IMP_core.MonteCarlo__python_index_mover(self, d, start, stop)
7670 def remove_movers(self, d):
7671 r"""remove_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & d)"""
7672 return _IMP_core.MonteCarlo_remove_movers(self, d)
7674 def set_movers(self, ps):
7675 r"""set_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & ps)"""
7676 return _IMP_core.MonteCarlo_set_movers(self, ps)
7678 def set_movers_order(self, objs):
7679 r"""set_movers_order(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7680 return _IMP_core.MonteCarlo_set_movers_order(self, objs)
7682 def add_mover(self, obj):
7683 r"""add_mover(MonteCarlo self, MonteCarloMover obj) -> unsigned int"""
7684 return _IMP_core.MonteCarlo_add_mover(self, obj)
7686 def add_movers(self, objs):
7687 r"""add_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7688 return _IMP_core.MonteCarlo_add_movers(self, objs)
7690 def clear_movers(self):
7691 r"""clear_movers(MonteCarlo self)"""
7692 return _IMP_core.MonteCarlo_clear_movers(self)
7694 def get_number_of_movers(self):
7695 r"""get_number_of_movers(MonteCarlo self) -> unsigned int"""
7696 return _IMP_core.MonteCarlo_get_number_of_movers(self)
7698 def get_has_movers(self):
7699 r"""get_has_movers(MonteCarlo self) -> bool"""
7700 return _IMP_core.MonteCarlo_get_has_movers(self)
7702 def get_mover(self, i):
7703 r"""get_mover(MonteCarlo self, unsigned int i) -> MonteCarloMover"""
7704 return _IMP_core.MonteCarlo_get_mover(self, i)
7706 def get_movers(self):
7707 r"""get_movers(MonteCarlo self) -> IMP::core::MonteCarloMovers"""
7708 return _IMP_core.MonteCarlo_get_movers(self)
7710 def erase_mover(self, i):
7711 r"""erase_mover(MonteCarlo self, unsigned int i)"""
7712 return _IMP_core.MonteCarlo_erase_mover(self, i)
7714 def reserve_movers(self, sz):
7715 r"""reserve_movers(MonteCarlo self, unsigned int sz)"""
7716 return _IMP_core.MonteCarlo_reserve_movers(self, sz)
7719 r"""__str__(MonteCarlo self) -> std::string"""
7720 return _IMP_core.MonteCarlo___str__(self)
7723 r"""__repr__(MonteCarlo self) -> std::string"""
7724 return _IMP_core.MonteCarlo___repr__(self)
7728 return _object_cast_to_MonteCarlo(o)
7732 from IMP.core._jax_util
import _MCJAXInfo
7733 return _MCJAXInfo(self)
7735 def _optimize_jax(self, max_steps):
7736 import IMP.core._jax_util
7737 return IMP.core._jax_util._mc_optimize(self, max_steps)
7741 _IMP_core.MonteCarlo_swigregister(MonteCarlo)
7742 class MonteCarloWithLocalOptimization(MonteCarlo):
7743 r"""Proxy of C++ IMP::core::MonteCarloWithLocalOptimization class."""
7745 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7747 def __init__(self, opt, steps):
7748 r"""__init__(MonteCarloWithLocalOptimization self, Optimizer opt, unsigned int steps) -> MonteCarloWithLocalOptimization"""
7749 _IMP_core.MonteCarloWithLocalOptimization_swiginit(self, _IMP_core.new_MonteCarloWithLocalOptimization(opt, steps))
7751 def get_number_of_steps(self):
7752 r"""get_number_of_steps(MonteCarloWithLocalOptimization self) -> unsigned int"""
7753 return _IMP_core.MonteCarloWithLocalOptimization_get_number_of_steps(self)
7755 def get_local_optimizer(self):
7756 r"""get_local_optimizer(MonteCarloWithLocalOptimization self) -> Optimizer"""
7757 return _IMP_core.MonteCarloWithLocalOptimization_get_local_optimizer(self)
7758 __swig_destroy__ = _IMP_core.delete_MonteCarloWithLocalOptimization
7761 r"""__str__(MonteCarloWithLocalOptimization self) -> std::string"""
7762 return _IMP_core.MonteCarloWithLocalOptimization___str__(self)
7765 r"""__repr__(MonteCarloWithLocalOptimization self) -> std::string"""
7766 return _IMP_core.MonteCarloWithLocalOptimization___repr__(self)
7770 return _object_cast_to_MonteCarloWithLocalOptimization(o)
7774 _IMP_core.MonteCarloWithLocalOptimization_swigregister(MonteCarloWithLocalOptimization)
7775 class MonteCarloWithBasinHopping(MonteCarloWithLocalOptimization):
7776 r"""Proxy of C++ IMP::core::MonteCarloWithBasinHopping class."""
7778 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7780 def __init__(self, opt, ns):
7781 r"""__init__(MonteCarloWithBasinHopping self, Optimizer opt, unsigned int ns) -> MonteCarloWithBasinHopping"""
7782 _IMP_core.MonteCarloWithBasinHopping_swiginit(self, _IMP_core.new_MonteCarloWithBasinHopping(opt, ns))
7783 __swig_destroy__ = _IMP_core.delete_MonteCarloWithBasinHopping
7786 r"""__str__(MonteCarloWithBasinHopping self) -> std::string"""
7787 return _IMP_core.MonteCarloWithBasinHopping___str__(self)
7790 r"""__repr__(MonteCarloWithBasinHopping self) -> std::string"""
7791 return _IMP_core.MonteCarloWithBasinHopping___repr__(self)
7795 return _object_cast_to_MonteCarloWithBasinHopping(o)
7799 _IMP_core.MonteCarloWithBasinHopping_swigregister(MonteCarloWithBasinHopping)
7801 r"""Proxy of C++ IMP::core::NeighborsTable class."""
7803 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7805 def __init__(self, *args):
7806 r"""__init__(NeighborsTable self, PairContainer input, std::string name="CloseNeighborsTable%1%") -> NeighborsTable"""
7807 _IMP_core.NeighborsTable_swiginit(self, _IMP_core.new_NeighborsTable(*args))
7809 def get_neighbors(self, pi):
7810 r"""get_neighbors(NeighborsTable self, ParticleIndex pi) -> IMP::ParticleIndexes const &"""
7811 return _IMP_core.NeighborsTable_get_neighbors(self, pi)
7813 def get_version_info(self):
7814 r"""get_version_info(NeighborsTable self) -> VersionInfo"""
7815 return _IMP_core.NeighborsTable_get_version_info(self)
7816 __swig_destroy__ = _IMP_core.delete_NeighborsTable
7819 r"""__str__(NeighborsTable self) -> std::string"""
7820 return _IMP_core.NeighborsTable___str__(self)
7823 r"""__repr__(NeighborsTable self) -> std::string"""
7824 return _IMP_core.NeighborsTable___repr__(self)
7828 return _object_cast_to_NeighborsTable(o)
7832 _IMP_core.NeighborsTable_swigregister(NeighborsTable)
7833 class NormalMover(MonteCarloMover):
7834 r"""Proxy of C++ IMP::core::NormalMover class."""
7836 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7838 def __init__(self, *args):
7840 __init__(NormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> NormalMover
7841 __init__(NormalMover self, Model m, ParticleIndex pi, double stddev) -> NormalMover
7842 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> NormalMover
7843 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> NormalMover
7844 __init__(NormalMover self) -> NormalMover
7846 _IMP_core.NormalMover_swiginit(self, _IMP_core.new_NormalMover(*args))
7848 def set_sigma(self, sigma):
7849 r"""set_sigma(NormalMover self, IMP::Float sigma)"""
7850 return _IMP_core.NormalMover_set_sigma(self, sigma)
7852 def get_sigma(self):
7853 r"""get_sigma(NormalMover self) -> IMP::Float"""
7854 return _IMP_core.NormalMover_get_sigma(self)
7856 def get_version_info(self):
7857 r"""get_version_info(NormalMover self) -> VersionInfo"""
7858 return _IMP_core.NormalMover_get_version_info(self)
7859 __swig_destroy__ = _IMP_core.delete_NormalMover
7862 r"""__str__(NormalMover self) -> std::string"""
7863 return _IMP_core.NormalMover___str__(self)
7866 r"""__repr__(NormalMover self) -> std::string"""
7867 return _IMP_core.NormalMover___repr__(self)
7871 return _object_cast_to_NormalMover(o)
7874 def _get_as_binary(self):
7875 r"""_get_as_binary(NormalMover self) -> PyObject *"""
7876 return _IMP_core.NormalMover__get_as_binary(self)
7878 def _set_from_binary(self, p):
7879 r"""_set_from_binary(NormalMover self, PyObject * p)"""
7880 return _IMP_core.NormalMover__set_from_binary(self, p)
7882 def __getstate__(self):
7883 p = self._get_as_binary()
7884 if len(self.__dict__) > 1:
7885 d = self.__dict__.copy()
7890 def __setstate__(self, p):
7891 if not hasattr(self,
'this'):
7893 if isinstance(p, tuple):
7895 self.__dict__.update(d)
7896 return self._set_from_binary(p)
7900 _IMP_core.NormalMover_swigregister(NormalMover)
7901 class OpenCubicSpline(_OpenCubicSplineBase):
7902 r"""Proxy of C++ IMP::core::OpenCubicSpline class."""
7904 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7906 def __init__(self, values, minrange, spacing, extend=False):
7907 r"""__init__(OpenCubicSpline self, IMP::Floats const & values, IMP::Float minrange, IMP::Float spacing, bool extend=False) -> OpenCubicSpline"""
7908 _IMP_core.OpenCubicSpline_swiginit(self, _IMP_core.new_OpenCubicSpline(values, minrange, spacing, extend))
7910 def get_minrange(self):
7911 r"""get_minrange(OpenCubicSpline self) -> IMP::Float"""
7912 return _IMP_core.OpenCubicSpline_get_minrange(self)
7914 def get_spacing(self):
7915 r"""get_spacing(OpenCubicSpline self) -> IMP::Float"""
7916 return _IMP_core.OpenCubicSpline_get_spacing(self)
7918 def get_values(self):
7919 r"""get_values(OpenCubicSpline self) -> IMP::Floats"""
7920 return _IMP_core.OpenCubicSpline_get_values(self)
7922 def get_extend(self):
7923 r"""get_extend(OpenCubicSpline self) -> bool"""
7924 return _IMP_core.OpenCubicSpline_get_extend(self)
7926 def get_second_derivatives(self):
7927 r"""get_second_derivatives(OpenCubicSpline self) -> IMP::Floats"""
7928 return _IMP_core.OpenCubicSpline_get_second_derivatives(self)
7931 r"""__str__(OpenCubicSpline self) -> std::string"""
7932 return _IMP_core.OpenCubicSpline___str__(self)
7935 r"""__repr__(OpenCubicSpline self) -> std::string"""
7936 return _IMP_core.OpenCubicSpline___repr__(self)
7940 return _object_cast_to_OpenCubicSpline(o)
7944 import jax.numpy
as jnp
7945 from IMP.core._jax_util
import _spline
7946 def score(feature, minrange, maxrange, spacing, values, second_derivs):
7948 feature = jnp.clip(feature, minrange, maxrange)
7950 lowbin = jnp.array((feature - minrange) / spacing, dtype=int)
7951 return _spline(feature, minrange, lowbin, lowbin + 1, spacing,
7952 values, second_derivs)
7953 spacing = self.get_spacing()
7954 minrange = self.get_minrange()
7955 values = jnp.asarray(self.get_values())
7956 maxrange = minrange + spacing * (len(values) - 1)
7957 return functools.partial(
7958 score, minrange=minrange, maxrange=maxrange,
7959 spacing=spacing, values=values,
7960 second_derivs=jnp.asarray(self.get_second_derivatives()))
7962 __swig_destroy__ = _IMP_core.delete_OpenCubicSpline
7965 _IMP_core.OpenCubicSpline_swigregister(OpenCubicSpline)
7966 class QuadraticClosePairsFinder(ClosePairsFinder):
7967 r"""Proxy of C++ IMP::core::QuadraticClosePairsFinder class."""
7969 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7972 r"""__init__(QuadraticClosePairsFinder self) -> QuadraticClosePairsFinder"""
7973 _IMP_core.QuadraticClosePairsFinder_swiginit(self, _IMP_core.new_QuadraticClosePairsFinder())
7975 def get_are_close_and_filtered(self, *args):
7977 get_are_close_and_filtered(QuadraticClosePairsFinder self, Particle a, Particle b) -> bool
7978 get_are_close_and_filtered(QuadraticClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b) -> bool
7980 return _IMP_core.QuadraticClosePairsFinder_get_are_close_and_filtered(self, *args)
7982 def get_close_pairs(self, *args):
7984 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
7985 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
7986 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
7987 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
7989 return _IMP_core.QuadraticClosePairsFinder_get_close_pairs(self, *args)
7991 def do_get_inputs(self, m, pis):
7992 r"""do_get_inputs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7993 return _IMP_core.QuadraticClosePairsFinder_do_get_inputs(self, m, pis)
7995 def get_version_info(self):
7996 r"""get_version_info(QuadraticClosePairsFinder self) -> VersionInfo"""
7997 return _IMP_core.QuadraticClosePairsFinder_get_version_info(self)
7998 __swig_destroy__ = _IMP_core.delete_QuadraticClosePairsFinder
8001 r"""__str__(QuadraticClosePairsFinder self) -> std::string"""
8002 return _IMP_core.QuadraticClosePairsFinder___str__(self)
8005 r"""__repr__(QuadraticClosePairsFinder self) -> std::string"""
8006 return _IMP_core.QuadraticClosePairsFinder___repr__(self)
8010 return _object_cast_to_QuadraticClosePairsFinder(o)
8014 _IMP_core.QuadraticClosePairsFinder_swigregister(QuadraticClosePairsFinder)
8016 r"""Proxy of C++ IMP::core::RefinedPairsPairScore class."""
8018 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8020 def __init__(self, r, f):
8021 r"""__init__(RefinedPairsPairScore self, Refiner r, PairScore f) -> RefinedPairsPairScore"""
8022 _IMP_core.RefinedPairsPairScore_swiginit(self, _IMP_core.new_RefinedPairsPairScore(r, f))
8024 def do_get_inputs(self, m, pis):
8025 r"""do_get_inputs(RefinedPairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8026 return _IMP_core.RefinedPairsPairScore_do_get_inputs(self, m, pis)
8028 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
8029 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"""
8030 return _IMP_core.RefinedPairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
8032 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8033 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"""
8034 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
8036 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
8037 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"""
8038 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
8040 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8041 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"""
8042 return _IMP_core.RefinedPairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
8044 def get_version_info(self):
8045 r"""get_version_info(RefinedPairsPairScore self) -> VersionInfo"""
8046 return _IMP_core.RefinedPairsPairScore_get_version_info(self)
8047 __swig_destroy__ = _IMP_core.delete_RefinedPairsPairScore
8050 r"""__str__(RefinedPairsPairScore self) -> std::string"""
8051 return _IMP_core.RefinedPairsPairScore___str__(self)
8054 r"""__repr__(RefinedPairsPairScore self) -> std::string"""
8055 return _IMP_core.RefinedPairsPairScore___repr__(self)
8059 return _object_cast_to_RefinedPairsPairScore(o)
8063 _IMP_core.RefinedPairsPairScore_swigregister(RefinedPairsPairScore)
8064 class RigidBody(XYZ):
8065 r"""Proxy of C++ IMP::core::RigidBody class."""
8067 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8069 def get_rigid_members(self):
8070 r"""get_rigid_members(RigidBody self) -> IMP::core::RigidMembers"""
8071 return _IMP_core.RigidBody_get_rigid_members(self)
8074 def get_rotation_keys():
8075 r"""get_rotation_keys() -> IMP::FloatKeys"""
8076 return _IMP_core.RigidBody_get_rotation_keys()
8078 def get_member_particle_indexes(self):
8079 r"""get_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
8080 return _IMP_core.RigidBody_get_member_particle_indexes(self)
8082 def get_body_member_particle_indexes(self):
8083 r"""get_body_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
8084 return _IMP_core.RigidBody_get_body_member_particle_indexes(self)
8086 def get_member_indexes(self):
8087 r"""get_member_indexes(RigidBody self) -> IMP::ParticleIndexes"""
8088 return _IMP_core.RigidBody_get_member_indexes(self)
8090 def show(self, *args):
8091 r"""show(RigidBody self, _ostream out=std::cout)"""
8092 return _IMP_core.RigidBody_show(self, *args)
8095 def setup_particle(*args):
8097 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor ps) -> RigidBody
8098 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor ps) -> RigidBody
8099 setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf) -> RigidBody
8100 setup_particle(_ParticleAdaptor pa, ReferenceFrame3D rf) -> RigidBody
8102 return _IMP_core.RigidBody_setup_particle(*args)
8105 def teardown_particle(rb):
8106 r"""teardown_particle(RigidBody rb)"""
8107 return _IMP_core.RigidBody_teardown_particle(rb)
8109 def __init__(self, *args):
8111 __init__(RigidBody self) -> RigidBody
8112 __init__(RigidBody self, Model m, ParticleIndex id) -> RigidBody
8113 __init__(RigidBody self, _ParticleAdaptor d) -> RigidBody
8114 __init__(RigidBody self, RigidBody arg2) -> RigidBody
8116 _IMP_core.RigidBody_swiginit(self, _IMP_core.new_RigidBody(*args))
8117 __swig_destroy__ = _IMP_core.delete_RigidBody
8120 def get_is_setup(*args):
8122 get_is_setup(_ParticleAdaptor p) -> bool
8123 get_is_setup(Model m, ParticleIndex pi) -> bool
8125 return _IMP_core.RigidBody_get_is_setup(*args)
8127 def get_coordinates(self):
8128 r"""get_coordinates(RigidBody self) -> Vector3D"""
8129 return _IMP_core.RigidBody_get_coordinates(self)
8131 def get_rotation(self):
8132 r"""get_rotation(RigidBody self) -> Rotation3D"""
8133 return _IMP_core.RigidBody_get_rotation(self)
8135 def get_reference_frame(self):
8136 r"""get_reference_frame(RigidBody self) -> ReferenceFrame3D"""
8137 return _IMP_core.RigidBody_get_reference_frame(self)
8139 def set_reference_frame(self, tr):
8140 r"""set_reference_frame(RigidBody self, ReferenceFrame3D tr)"""
8141 return _IMP_core.RigidBody_set_reference_frame(self, tr)
8143 def set_reference_frame_lazy(self, tr):
8144 r"""set_reference_frame_lazy(RigidBody self, ReferenceFrame3D tr)"""
8145 return _IMP_core.RigidBody_set_reference_frame_lazy(self, tr)
8147 def set_reference_frame_from_members(self, members):
8148 r"""set_reference_frame_from_members(RigidBody self, IMP::ParticleIndexes const & members)"""
8149 return _IMP_core.RigidBody_set_reference_frame_from_members(self, members)
8151 def pull_back_members_adjoints(self, da):
8152 r"""pull_back_members_adjoints(RigidBody self, DerivativeAccumulator da)"""
8153 return _IMP_core.RigidBody_pull_back_members_adjoints(self, da)
8155 def pull_back_member_adjoints(self, pi, da):
8156 r"""pull_back_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8157 return _IMP_core.RigidBody_pull_back_member_adjoints(self, pi, da)
8159 def pull_back_body_member_adjoints(self, pi, da):
8160 r"""pull_back_body_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8161 return _IMP_core.RigidBody_pull_back_body_member_adjoints(self, pi, da)
8163 def add_to_derivatives(self, *args):
8165 add_to_derivatives(RigidBody self, Vector3D local_derivative, Vector3D local_location, DerivativeAccumulator da)
8166 add_to_derivatives(RigidBody self, Vector3D local_derivative, Vector3D global_derivative, Vector3D local_location, Rotation3D rot_local_to_global, DerivativeAccumulator da)
8168 return _IMP_core.RigidBody_add_to_derivatives(self, *args)
8170 def add_to_rotational_derivatives(self, *args):
8172 add_to_rotational_derivatives(RigidBody self, Vector4D other_qderiv, Rotation3D rot_other_to_local, Rotation3D rot_local_to_global, DerivativeAccumulator da)
8173 add_to_rotational_derivatives(RigidBody self, Vector4D qderiv, DerivativeAccumulator da)
8175 return _IMP_core.RigidBody_add_to_rotational_derivatives(self, *args)
8177 def add_to_torque(self, torque_local, da):
8178 r"""add_to_torque(RigidBody self, Vector3D torque_local, DerivativeAccumulator da)"""
8179 return _IMP_core.RigidBody_add_to_torque(self, torque_local, da)
8181 def get_torque(self):
8182 r"""get_torque(RigidBody self) -> Vector3D"""
8183 return _IMP_core.RigidBody_get_torque(self)
8185 def get_coordinates_are_optimized(self):
8186 r"""get_coordinates_are_optimized(RigidBody self) -> bool"""
8187 return _IMP_core.RigidBody_get_coordinates_are_optimized(self)
8189 def set_coordinates_are_optimized(self, tf):
8190 r"""set_coordinates_are_optimized(RigidBody self, bool tf)"""
8191 return _IMP_core.RigidBody_set_coordinates_are_optimized(self, tf)
8193 def normalize_rotation(self):
8194 r"""normalize_rotation(RigidBody self)"""
8195 return _IMP_core.RigidBody_normalize_rotation(self)
8197 def update_members(self):
8198 r"""update_members(RigidBody self)"""
8199 return _IMP_core.RigidBody_update_members(self)
8201 def get_rotational_derivatives(self):
8202 r"""get_rotational_derivatives(RigidBody self) -> Vector4D"""
8203 return _IMP_core.RigidBody_get_rotational_derivatives(self)
8205 def get_number_of_members(self):
8206 r"""get_number_of_members(RigidBody self) -> unsigned int"""
8207 return _IMP_core.RigidBody_get_number_of_members(self)
8209 def get_member(self, i):
8210 r"""get_member(RigidBody self, unsigned int i) -> RigidBodyMember"""
8211 return _IMP_core.RigidBody_get_member(self, i)
8213 def add_member(self, p):
8214 r"""add_member(RigidBody self, _ParticleIndexAdaptor p)"""
8215 return _IMP_core.RigidBody_add_member(self, p)
8217 def add_non_rigid_member(self, p):
8218 r"""add_non_rigid_member(RigidBody self, _ParticleIndexAdaptor p)"""
8219 return _IMP_core.RigidBody_add_non_rigid_member(self, p)
8221 def set_is_rigid_member(self, pi, tf):
8222 r"""set_is_rigid_member(RigidBody self, ParticleIndex pi, bool tf)"""
8223 return _IMP_core.RigidBody_set_is_rigid_member(self, pi, tf)
8225 def remove_member(self, p):
8226 r"""remove_member(RigidBody self, _ParticleIndexAdaptor p)"""
8227 return _IMP_core.RigidBody_remove_member(self, p)
8229 def add_attribute(self, *args):
8231 add_attribute(RigidBody self, FloatKey k, IMP::Float v, bool opt)
8232 add_attribute(RigidBody self, FloatKey a0, IMP::Float a1)
8233 add_attribute(RigidBody self, IntKey a0, IMP::Int a1)
8234 add_attribute(RigidBody self, FloatsKey a0, IMP::Floats a1)
8235 add_attribute(RigidBody self, IntsKey a0, IMP::Ints a1)
8236 add_attribute(RigidBody self, StringKey a0, IMP::String a1)
8237 add_attribute(RigidBody self, ParticleIndexKey a0, Particle a1)
8238 add_attribute(RigidBody self, ObjectKey a0, Object a1)
8239 add_attribute(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8240 add_attribute(RigidBody self, SparseIntKey a0, IMP::Int a1)
8241 add_attribute(RigidBody self, SparseStringKey a0, IMP::String a1)
8242 add_attribute(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8244 return _IMP_core.RigidBody_add_attribute(self, *args)
8246 def get_value(self, *args):
8248 get_value(RigidBody self, FloatKey a0) -> IMP::Float
8249 get_value(RigidBody self, IntKey a0) -> IMP::Int
8250 get_value(RigidBody self, FloatsKey a0) -> IMP::Floats
8251 get_value(RigidBody self, IntsKey a0) -> IMP::Ints
8252 get_value(RigidBody self, StringKey a0) -> IMP::String
8253 get_value(RigidBody self, ParticleIndexKey a0) -> Particle
8254 get_value(RigidBody self, ObjectKey a0) -> Object
8255 get_value(RigidBody self, SparseFloatKey a0) -> IMP::Float
8256 get_value(RigidBody self, SparseIntKey a0) -> IMP::Int
8257 get_value(RigidBody self, SparseStringKey a0) -> IMP::String
8258 get_value(RigidBody self, SparseParticleIndexKey a0) -> ParticleIndex
8260 return _IMP_core.RigidBody_get_value(self, *args)
8262 def set_value(self, *args):
8264 set_value(RigidBody self, FloatKey a0, IMP::Float a1)
8265 set_value(RigidBody self, IntKey a0, IMP::Int a1)
8266 set_value(RigidBody self, FloatsKey a0, IMP::Floats a1)
8267 set_value(RigidBody self, IntsKey a0, IMP::Ints a1)
8268 set_value(RigidBody self, StringKey a0, IMP::String a1)
8269 set_value(RigidBody self, ParticleIndexKey a0, Particle a1)
8270 set_value(RigidBody self, ObjectKey a0, Object a1)
8271 set_value(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8272 set_value(RigidBody self, SparseIntKey a0, IMP::Int a1)
8273 set_value(RigidBody self, SparseStringKey a0, IMP::String a1)
8274 set_value(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8276 return _IMP_core.RigidBody_set_value(self, *args)
8278 def remove_attribute(self, *args):
8280 remove_attribute(RigidBody self, FloatKey a0)
8281 remove_attribute(RigidBody self, IntKey a0)
8282 remove_attribute(RigidBody self, FloatsKey a0)
8283 remove_attribute(RigidBody self, IntsKey a0)
8284 remove_attribute(RigidBody self, StringKey a0)
8285 remove_attribute(RigidBody self, ParticleIndexKey a0)
8286 remove_attribute(RigidBody self, ObjectKey a0)
8287 remove_attribute(RigidBody self, SparseFloatKey a0)
8288 remove_attribute(RigidBody self, SparseIntKey a0)
8289 remove_attribute(RigidBody self, SparseStringKey a0)
8290 remove_attribute(RigidBody self, SparseParticleIndexKey a0)
8292 return _IMP_core.RigidBody_remove_attribute(self, *args)
8294 def has_attribute(self, *args):
8296 has_attribute(RigidBody self, FloatKey a0) -> bool
8297 has_attribute(RigidBody self, IntKey a0) -> bool
8298 has_attribute(RigidBody self, FloatsKey a0) -> bool
8299 has_attribute(RigidBody self, IntsKey a0) -> bool
8300 has_attribute(RigidBody self, StringKey a0) -> bool
8301 has_attribute(RigidBody self, ParticleIndexKey a0) -> bool
8302 has_attribute(RigidBody self, ObjectKey a0) -> bool
8303 has_attribute(RigidBody self, SparseFloatKey a0) -> bool
8304 has_attribute(RigidBody self, SparseIntKey a0) -> bool
8305 has_attribute(RigidBody self, SparseStringKey a0) -> bool
8306 has_attribute(RigidBody self, SparseParticleIndexKey a0) -> bool
8308 return _IMP_core.RigidBody_has_attribute(self, *args)
8310 def get_derivative(self, a0):
8311 r"""get_derivative(RigidBody self, FloatKey a0) -> double"""
8312 return _IMP_core.RigidBody_get_derivative(self, a0)
8315 r"""get_name(RigidBody self) -> std::string"""
8316 return _IMP_core.RigidBody_get_name(self)
8318 def clear_caches(self):
8319 r"""clear_caches(RigidBody self)"""
8320 return _IMP_core.RigidBody_clear_caches(self)
8322 def set_name(self, a0):
8323 r"""set_name(RigidBody self, std::string a0)"""
8324 return _IMP_core.RigidBody_set_name(self, a0)
8327 r"""set_check_level(RigidBody self, IMP::CheckLevel a0)"""
8328 return _IMP_core.RigidBody_set_check_level(self, a0)
8330 def add_to_derivative(self, a0, a1, a2):
8331 r"""add_to_derivative(RigidBody self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8332 return _IMP_core.RigidBody_add_to_derivative(self, a0, a1, a2)
8334 def set_is_optimized(self, a0, a1):
8335 r"""set_is_optimized(RigidBody self, FloatKey a0, bool a1)"""
8336 return _IMP_core.RigidBody_set_is_optimized(self, a0, a1)
8338 def get_is_optimized(self, a0):
8339 r"""get_is_optimized(RigidBody self, FloatKey a0) -> bool"""
8340 return _IMP_core.RigidBody_get_is_optimized(self, a0)
8343 r"""get_check_level(RigidBody self) -> IMP::CheckLevel"""
8344 return _IMP_core.RigidBody_get_check_level(self)
8346 def __eq__(self, *args):
8348 __eq__(RigidBody self, RigidBody o) -> bool
8349 __eq__(RigidBody self, Particle d) -> bool
8351 return _IMP_core.RigidBody___eq__(self, *args)
8353 def __ne__(self, *args):
8355 __ne__(RigidBody self, RigidBody o) -> bool
8356 __ne__(RigidBody self, Particle d) -> bool
8358 return _IMP_core.RigidBody___ne__(self, *args)
8360 def __le__(self, *args):
8362 __le__(RigidBody self, RigidBody o) -> bool
8363 __le__(RigidBody self, Particle d) -> bool
8365 return _IMP_core.RigidBody___le__(self, *args)
8367 def __lt__(self, *args):
8369 __lt__(RigidBody self, RigidBody o) -> bool
8370 __lt__(RigidBody self, Particle d) -> bool
8372 return _IMP_core.RigidBody___lt__(self, *args)
8374 def __ge__(self, *args):
8376 __ge__(RigidBody self, RigidBody o) -> bool
8377 __ge__(RigidBody self, Particle d) -> bool
8379 return _IMP_core.RigidBody___ge__(self, *args)
8381 def __gt__(self, *args):
8383 __gt__(RigidBody self, RigidBody o) -> bool
8384 __gt__(RigidBody self, Particle d) -> bool
8386 return _IMP_core.RigidBody___gt__(self, *args)
8389 r"""__hash__(RigidBody self) -> std::size_t"""
8390 return _IMP_core.RigidBody___hash__(self)
8393 r"""__str__(RigidBody self) -> std::string"""
8394 return _IMP_core.RigidBody___str__(self)
8397 r"""__repr__(RigidBody self) -> std::string"""
8398 return _IMP_core.RigidBody___repr__(self)
8400 def _get_as_binary(self):
8401 r"""_get_as_binary(RigidBody self) -> PyObject *"""
8402 return _IMP_core.RigidBody__get_as_binary(self)
8404 def _set_from_binary(self, p):
8405 r"""_set_from_binary(RigidBody self, PyObject * p)"""
8406 return _IMP_core.RigidBody__set_from_binary(self, p)
8408 def __getstate__(self):
8409 p = self._get_as_binary()
8410 if len(self.__dict__) > 1:
8411 d = self.__dict__.copy()
8416 def __setstate__(self, p):
8417 if not hasattr(self,
'this'):
8419 if isinstance(p, tuple):
8421 self.__dict__.update(d)
8422 return self._set_from_binary(p)
8426 _IMP_core.RigidBody_swigregister(RigidBody)
8429 r"""add_rigid_body_cache_key(ObjectKey k)"""
8430 return _IMP_core.add_rigid_body_cache_key(k)
8431 class RigidBodyMember(XYZ):
8432 r"""Proxy of C++ IMP::core::RigidBodyMember class."""
8434 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8436 def show(self, *args):
8437 r"""show(RigidBodyMember self, _ostream out=std::cout)"""
8438 return _IMP_core.RigidBodyMember_show(self, *args)
8440 def get_rigid_body(self):
8441 r"""get_rigid_body(RigidBodyMember self) -> RigidBody"""
8442 return _IMP_core.RigidBodyMember_get_rigid_body(self)
8444 def get_internal_coordinates(self):
8445 r"""get_internal_coordinates(RigidBodyMember self) -> Vector3D"""
8446 return _IMP_core.RigidBodyMember_get_internal_coordinates(self)
8448 def set_internal_coordinates(self, v):
8449 r"""set_internal_coordinates(RigidBodyMember self, Vector3D v)"""
8450 return _IMP_core.RigidBodyMember_set_internal_coordinates(self, v)
8452 def set_internal_transformation(self, v):
8453 r"""set_internal_transformation(RigidBodyMember self, Transformation3D v)"""
8454 return _IMP_core.RigidBodyMember_set_internal_transformation(self, v)
8456 def get_internal_transformation(self):
8457 r"""get_internal_transformation(RigidBodyMember self) -> Transformation3D"""
8458 return _IMP_core.RigidBodyMember_get_internal_transformation(self)
8459 __swig_destroy__ = _IMP_core.delete_RigidBodyMember
8461 def set_coordinates(self, *args):
8463 set_coordinates(RigidBodyMember self, Vector3D center)
8464 set_coordinates(RigidBodyMember self, Transformation3D tr)
8466 return _IMP_core.RigidBodyMember_set_coordinates(self, *args)
8468 def __init__(self, *args):
8470 __init__(RigidBodyMember self) -> RigidBodyMember
8471 __init__(RigidBodyMember self, Model m, ParticleIndex id) -> RigidBodyMember
8472 __init__(RigidBodyMember self, _ParticleAdaptor d) -> RigidBodyMember
8473 __init__(RigidBodyMember self, RigidBodyMember arg2) -> RigidBodyMember
8475 _IMP_core.RigidBodyMember_swiginit(self, _IMP_core.new_RigidBodyMember(*args))
8478 def get_is_setup(*args):
8480 get_is_setup(_ParticleAdaptor p) -> bool
8481 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
8483 return _IMP_core.RigidBodyMember_get_is_setup(*args)
8486 def get_internal_coordinate_keys():
8487 r"""get_internal_coordinate_keys() -> IMP::FloatKeys"""
8488 return _IMP_core.RigidBodyMember_get_internal_coordinate_keys()
8491 def get_internal_rotation_keys():
8492 r"""get_internal_rotation_keys() -> IMP::FloatKeys"""
8493 return _IMP_core.RigidBodyMember_get_internal_rotation_keys()
8495 def add_attribute(self, *args):
8497 add_attribute(RigidBodyMember self, FloatKey k, IMP::Float v, bool opt)
8498 add_attribute(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8499 add_attribute(RigidBodyMember self, IntKey a0, IMP::Int a1)
8500 add_attribute(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8501 add_attribute(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8502 add_attribute(RigidBodyMember self, StringKey a0, IMP::String a1)
8503 add_attribute(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8504 add_attribute(RigidBodyMember self, ObjectKey a0, Object a1)
8505 add_attribute(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8506 add_attribute(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8507 add_attribute(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8508 add_attribute(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8510 return _IMP_core.RigidBodyMember_add_attribute(self, *args)
8512 def get_value(self, *args):
8514 get_value(RigidBodyMember self, FloatKey a0) -> IMP::Float
8515 get_value(RigidBodyMember self, IntKey a0) -> IMP::Int
8516 get_value(RigidBodyMember self, FloatsKey a0) -> IMP::Floats
8517 get_value(RigidBodyMember self, IntsKey a0) -> IMP::Ints
8518 get_value(RigidBodyMember self, StringKey a0) -> IMP::String
8519 get_value(RigidBodyMember self, ParticleIndexKey a0) -> Particle
8520 get_value(RigidBodyMember self, ObjectKey a0) -> Object
8521 get_value(RigidBodyMember self, SparseFloatKey a0) -> IMP::Float
8522 get_value(RigidBodyMember self, SparseIntKey a0) -> IMP::Int
8523 get_value(RigidBodyMember self, SparseStringKey a0) -> IMP::String
8524 get_value(RigidBodyMember self, SparseParticleIndexKey a0) -> ParticleIndex
8526 return _IMP_core.RigidBodyMember_get_value(self, *args)
8528 def set_value(self, *args):
8530 set_value(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8531 set_value(RigidBodyMember self, IntKey a0, IMP::Int a1)
8532 set_value(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8533 set_value(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8534 set_value(RigidBodyMember self, StringKey a0, IMP::String a1)
8535 set_value(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8536 set_value(RigidBodyMember self, ObjectKey a0, Object a1)
8537 set_value(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8538 set_value(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8539 set_value(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8540 set_value(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8542 return _IMP_core.RigidBodyMember_set_value(self, *args)
8544 def remove_attribute(self, *args):
8546 remove_attribute(RigidBodyMember self, FloatKey a0)
8547 remove_attribute(RigidBodyMember self, IntKey a0)
8548 remove_attribute(RigidBodyMember self, FloatsKey a0)
8549 remove_attribute(RigidBodyMember self, IntsKey a0)
8550 remove_attribute(RigidBodyMember self, StringKey a0)
8551 remove_attribute(RigidBodyMember self, ParticleIndexKey a0)
8552 remove_attribute(RigidBodyMember self, ObjectKey a0)
8553 remove_attribute(RigidBodyMember self, SparseFloatKey a0)
8554 remove_attribute(RigidBodyMember self, SparseIntKey a0)
8555 remove_attribute(RigidBodyMember self, SparseStringKey a0)
8556 remove_attribute(RigidBodyMember self, SparseParticleIndexKey a0)
8558 return _IMP_core.RigidBodyMember_remove_attribute(self, *args)
8560 def has_attribute(self, *args):
8562 has_attribute(RigidBodyMember self, FloatKey a0) -> bool
8563 has_attribute(RigidBodyMember self, IntKey a0) -> bool
8564 has_attribute(RigidBodyMember self, FloatsKey a0) -> bool
8565 has_attribute(RigidBodyMember self, IntsKey a0) -> bool
8566 has_attribute(RigidBodyMember self, StringKey a0) -> bool
8567 has_attribute(RigidBodyMember self, ParticleIndexKey a0) -> bool
8568 has_attribute(RigidBodyMember self, ObjectKey a0) -> bool
8569 has_attribute(RigidBodyMember self, SparseFloatKey a0) -> bool
8570 has_attribute(RigidBodyMember self, SparseIntKey a0) -> bool
8571 has_attribute(RigidBodyMember self, SparseStringKey a0) -> bool
8572 has_attribute(RigidBodyMember self, SparseParticleIndexKey a0) -> bool
8574 return _IMP_core.RigidBodyMember_has_attribute(self, *args)
8576 def get_derivative(self, a0):
8577 r"""get_derivative(RigidBodyMember self, FloatKey a0) -> double"""
8578 return _IMP_core.RigidBodyMember_get_derivative(self, a0)
8581 r"""get_name(RigidBodyMember self) -> std::string"""
8582 return _IMP_core.RigidBodyMember_get_name(self)
8584 def clear_caches(self):
8585 r"""clear_caches(RigidBodyMember self)"""
8586 return _IMP_core.RigidBodyMember_clear_caches(self)
8588 def set_name(self, a0):
8589 r"""set_name(RigidBodyMember self, std::string a0)"""
8590 return _IMP_core.RigidBodyMember_set_name(self, a0)
8593 r"""set_check_level(RigidBodyMember self, IMP::CheckLevel a0)"""
8594 return _IMP_core.RigidBodyMember_set_check_level(self, a0)
8596 def add_to_derivative(self, a0, a1, a2):
8597 r"""add_to_derivative(RigidBodyMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8598 return _IMP_core.RigidBodyMember_add_to_derivative(self, a0, a1, a2)
8600 def set_is_optimized(self, a0, a1):
8601 r"""set_is_optimized(RigidBodyMember self, FloatKey a0, bool a1)"""
8602 return _IMP_core.RigidBodyMember_set_is_optimized(self, a0, a1)
8604 def get_is_optimized(self, a0):
8605 r"""get_is_optimized(RigidBodyMember self, FloatKey a0) -> bool"""
8606 return _IMP_core.RigidBodyMember_get_is_optimized(self, a0)
8609 r"""get_check_level(RigidBodyMember self) -> IMP::CheckLevel"""
8610 return _IMP_core.RigidBodyMember_get_check_level(self)
8612 def __eq__(self, *args):
8614 __eq__(RigidBodyMember self, RigidBodyMember o) -> bool
8615 __eq__(RigidBodyMember self, Particle d) -> bool
8617 return _IMP_core.RigidBodyMember___eq__(self, *args)
8619 def __ne__(self, *args):
8621 __ne__(RigidBodyMember self, RigidBodyMember o) -> bool
8622 __ne__(RigidBodyMember self, Particle d) -> bool
8624 return _IMP_core.RigidBodyMember___ne__(self, *args)
8626 def __le__(self, *args):
8628 __le__(RigidBodyMember self, RigidBodyMember o) -> bool
8629 __le__(RigidBodyMember self, Particle d) -> bool
8631 return _IMP_core.RigidBodyMember___le__(self, *args)
8633 def __lt__(self, *args):
8635 __lt__(RigidBodyMember self, RigidBodyMember o) -> bool
8636 __lt__(RigidBodyMember self, Particle d) -> bool
8638 return _IMP_core.RigidBodyMember___lt__(self, *args)
8640 def __ge__(self, *args):
8642 __ge__(RigidBodyMember self, RigidBodyMember o) -> bool
8643 __ge__(RigidBodyMember self, Particle d) -> bool
8645 return _IMP_core.RigidBodyMember___ge__(self, *args)
8647 def __gt__(self, *args):
8649 __gt__(RigidBodyMember self, RigidBodyMember o) -> bool
8650 __gt__(RigidBodyMember self, Particle d) -> bool
8652 return _IMP_core.RigidBodyMember___gt__(self, *args)
8655 r"""__hash__(RigidBodyMember self) -> std::size_t"""
8656 return _IMP_core.RigidBodyMember___hash__(self)
8659 r"""__str__(RigidBodyMember self) -> std::string"""
8660 return _IMP_core.RigidBodyMember___str__(self)
8663 r"""__repr__(RigidBodyMember self) -> std::string"""
8664 return _IMP_core.RigidBodyMember___repr__(self)
8666 def _get_as_binary(self):
8667 r"""_get_as_binary(RigidBodyMember self) -> PyObject *"""
8668 return _IMP_core.RigidBodyMember__get_as_binary(self)
8670 def _set_from_binary(self, p):
8671 r"""_set_from_binary(RigidBodyMember self, PyObject * p)"""
8672 return _IMP_core.RigidBodyMember__set_from_binary(self, p)
8674 def __getstate__(self):
8675 p = self._get_as_binary()
8676 if len(self.__dict__) > 1:
8677 d = self.__dict__.copy()
8682 def __setstate__(self, p):
8683 if not hasattr(self,
'this'):
8685 if isinstance(p, tuple):
8687 self.__dict__.update(d)
8688 return self._set_from_binary(p)
8692 _IMP_core.RigidBodyMember_swigregister(RigidBodyMember)
8693 class RigidMember(RigidBodyMember):
8694 r"""Proxy of C++ IMP::core::RigidMember class."""
8696 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8698 def show(self, *args):
8699 r"""show(RigidMember self, _ostream out=std::cout)"""
8700 return _IMP_core.RigidMember_show(self, *args)
8702 def __init__(self, *args):
8704 __init__(RigidMember self) -> RigidMember
8705 __init__(RigidMember self, Model m, ParticleIndex id) -> RigidMember
8706 __init__(RigidMember self, _ParticleAdaptor d) -> RigidMember
8707 __init__(RigidMember self, RigidMember arg2) -> RigidMember
8709 _IMP_core.RigidMember_swiginit(self, _IMP_core.new_RigidMember(*args))
8710 __swig_destroy__ = _IMP_core.delete_RigidMember
8713 def get_is_setup(*args):
8715 get_is_setup(_ParticleAdaptor p) -> bool
8716 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
8718 return _IMP_core.RigidMember_get_is_setup(*args)
8720 def add_attribute(self, *args):
8722 add_attribute(RigidMember self, FloatKey k, IMP::Float v, bool opt)
8723 add_attribute(RigidMember self, FloatKey a0, IMP::Float a1)
8724 add_attribute(RigidMember self, IntKey a0, IMP::Int a1)
8725 add_attribute(RigidMember self, FloatsKey a0, IMP::Floats a1)
8726 add_attribute(RigidMember self, IntsKey a0, IMP::Ints a1)
8727 add_attribute(RigidMember self, StringKey a0, IMP::String a1)
8728 add_attribute(RigidMember self, ParticleIndexKey a0, Particle a1)
8729 add_attribute(RigidMember self, ObjectKey a0, Object a1)
8730 add_attribute(RigidMember self, SparseFloatKey a0, IMP::Float a1)
8731 add_attribute(RigidMember self, SparseIntKey a0, IMP::Int a1)
8732 add_attribute(RigidMember self, SparseStringKey a0, IMP::String a1)
8733 add_attribute(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8735 return _IMP_core.RigidMember_add_attribute(self, *args)
8737 def get_value(self, *args):
8739 get_value(RigidMember self, FloatKey a0) -> IMP::Float
8740 get_value(RigidMember self, IntKey a0) -> IMP::Int
8741 get_value(RigidMember self, FloatsKey a0) -> IMP::Floats
8742 get_value(RigidMember self, IntsKey a0) -> IMP::Ints
8743 get_value(RigidMember self, StringKey a0) -> IMP::String
8744 get_value(RigidMember self, ParticleIndexKey a0) -> Particle
8745 get_value(RigidMember self, ObjectKey a0) -> Object
8746 get_value(RigidMember self, SparseFloatKey a0) -> IMP::Float
8747 get_value(RigidMember self, SparseIntKey a0) -> IMP::Int
8748 get_value(RigidMember self, SparseStringKey a0) -> IMP::String
8749 get_value(RigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
8751 return _IMP_core.RigidMember_get_value(self, *args)
8753 def set_value(self, *args):
8755 set_value(RigidMember self, FloatKey a0, IMP::Float a1)
8756 set_value(RigidMember self, IntKey a0, IMP::Int a1)
8757 set_value(RigidMember self, FloatsKey a0, IMP::Floats a1)
8758 set_value(RigidMember self, IntsKey a0, IMP::Ints a1)
8759 set_value(RigidMember self, StringKey a0, IMP::String a1)
8760 set_value(RigidMember self, ParticleIndexKey a0, Particle a1)
8761 set_value(RigidMember self, ObjectKey a0, Object a1)
8762 set_value(RigidMember self, SparseFloatKey a0, IMP::Float a1)
8763 set_value(RigidMember self, SparseIntKey a0, IMP::Int a1)
8764 set_value(RigidMember self, SparseStringKey a0, IMP::String a1)
8765 set_value(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8767 return _IMP_core.RigidMember_set_value(self, *args)
8769 def remove_attribute(self, *args):
8771 remove_attribute(RigidMember self, FloatKey a0)
8772 remove_attribute(RigidMember self, IntKey a0)
8773 remove_attribute(RigidMember self, FloatsKey a0)
8774 remove_attribute(RigidMember self, IntsKey a0)
8775 remove_attribute(RigidMember self, StringKey a0)
8776 remove_attribute(RigidMember self, ParticleIndexKey a0)
8777 remove_attribute(RigidMember self, ObjectKey a0)
8778 remove_attribute(RigidMember self, SparseFloatKey a0)
8779 remove_attribute(RigidMember self, SparseIntKey a0)
8780 remove_attribute(RigidMember self, SparseStringKey a0)
8781 remove_attribute(RigidMember self, SparseParticleIndexKey a0)
8783 return _IMP_core.RigidMember_remove_attribute(self, *args)
8785 def has_attribute(self, *args):
8787 has_attribute(RigidMember self, FloatKey a0) -> bool
8788 has_attribute(RigidMember self, IntKey a0) -> bool
8789 has_attribute(RigidMember self, FloatsKey a0) -> bool
8790 has_attribute(RigidMember self, IntsKey a0) -> bool
8791 has_attribute(RigidMember self, StringKey a0) -> bool
8792 has_attribute(RigidMember self, ParticleIndexKey a0) -> bool
8793 has_attribute(RigidMember self, ObjectKey a0) -> bool
8794 has_attribute(RigidMember self, SparseFloatKey a0) -> bool
8795 has_attribute(RigidMember self, SparseIntKey a0) -> bool
8796 has_attribute(RigidMember self, SparseStringKey a0) -> bool
8797 has_attribute(RigidMember self, SparseParticleIndexKey a0) -> bool
8799 return _IMP_core.RigidMember_has_attribute(self, *args)
8801 def get_derivative(self, a0):
8802 r"""get_derivative(RigidMember self, FloatKey a0) -> double"""
8803 return _IMP_core.RigidMember_get_derivative(self, a0)
8806 r"""get_name(RigidMember self) -> std::string"""
8807 return _IMP_core.RigidMember_get_name(self)
8809 def clear_caches(self):
8810 r"""clear_caches(RigidMember self)"""
8811 return _IMP_core.RigidMember_clear_caches(self)
8813 def set_name(self, a0):
8814 r"""set_name(RigidMember self, std::string a0)"""
8815 return _IMP_core.RigidMember_set_name(self, a0)
8818 r"""set_check_level(RigidMember self, IMP::CheckLevel a0)"""
8819 return _IMP_core.RigidMember_set_check_level(self, a0)
8821 def add_to_derivative(self, a0, a1, a2):
8822 r"""add_to_derivative(RigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8823 return _IMP_core.RigidMember_add_to_derivative(self, a0, a1, a2)
8825 def set_is_optimized(self, a0, a1):
8826 r"""set_is_optimized(RigidMember self, FloatKey a0, bool a1)"""
8827 return _IMP_core.RigidMember_set_is_optimized(self, a0, a1)
8829 def get_is_optimized(self, a0):
8830 r"""get_is_optimized(RigidMember self, FloatKey a0) -> bool"""
8831 return _IMP_core.RigidMember_get_is_optimized(self, a0)
8834 r"""get_check_level(RigidMember self) -> IMP::CheckLevel"""
8835 return _IMP_core.RigidMember_get_check_level(self)
8837 def __eq__(self, *args):
8839 __eq__(RigidMember self, RigidMember o) -> bool
8840 __eq__(RigidMember self, Particle d) -> bool
8842 return _IMP_core.RigidMember___eq__(self, *args)
8844 def __ne__(self, *args):
8846 __ne__(RigidMember self, RigidMember o) -> bool
8847 __ne__(RigidMember self, Particle d) -> bool
8849 return _IMP_core.RigidMember___ne__(self, *args)
8851 def __le__(self, *args):
8853 __le__(RigidMember self, RigidMember o) -> bool
8854 __le__(RigidMember self, Particle d) -> bool
8856 return _IMP_core.RigidMember___le__(self, *args)
8858 def __lt__(self, *args):
8860 __lt__(RigidMember self, RigidMember o) -> bool
8861 __lt__(RigidMember self, Particle d) -> bool
8863 return _IMP_core.RigidMember___lt__(self, *args)
8865 def __ge__(self, *args):
8867 __ge__(RigidMember self, RigidMember o) -> bool
8868 __ge__(RigidMember self, Particle d) -> bool
8870 return _IMP_core.RigidMember___ge__(self, *args)
8872 def __gt__(self, *args):
8874 __gt__(RigidMember self, RigidMember o) -> bool
8875 __gt__(RigidMember self, Particle d) -> bool
8877 return _IMP_core.RigidMember___gt__(self, *args)
8880 r"""__hash__(RigidMember self) -> std::size_t"""
8881 return _IMP_core.RigidMember___hash__(self)
8884 r"""__str__(RigidMember self) -> std::string"""
8885 return _IMP_core.RigidMember___str__(self)
8888 r"""__repr__(RigidMember self) -> std::string"""
8889 return _IMP_core.RigidMember___repr__(self)
8891 def _get_as_binary(self):
8892 r"""_get_as_binary(RigidMember self) -> PyObject *"""
8893 return _IMP_core.RigidMember__get_as_binary(self)
8895 def _set_from_binary(self, p):
8896 r"""_set_from_binary(RigidMember self, PyObject * p)"""
8897 return _IMP_core.RigidMember__set_from_binary(self, p)
8899 def __getstate__(self):
8900 p = self._get_as_binary()
8901 if len(self.__dict__) > 1:
8902 d = self.__dict__.copy()
8907 def __setstate__(self, p):
8908 if not hasattr(self,
'this'):
8910 if isinstance(p, tuple):
8912 self.__dict__.update(d)
8913 return self._set_from_binary(p)
8917 _IMP_core.RigidMember_swigregister(RigidMember)
8918 class NonRigidMember(RigidBodyMember):
8919 r"""Proxy of C++ IMP::core::NonRigidMember class."""
8921 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8923 def show(self, *args):
8924 r"""show(NonRigidMember self, _ostream out=std::cout)"""
8925 return _IMP_core.NonRigidMember_show(self, *args)
8927 def __init__(self, *args):
8929 __init__(NonRigidMember self) -> NonRigidMember
8930 __init__(NonRigidMember self, Model m, ParticleIndex id) -> NonRigidMember
8931 __init__(NonRigidMember self, _ParticleAdaptor d) -> NonRigidMember
8932 __init__(NonRigidMember self, NonRigidMember arg2) -> NonRigidMember
8934 _IMP_core.NonRigidMember_swiginit(self, _IMP_core.new_NonRigidMember(*args))
8935 __swig_destroy__ = _IMP_core.delete_NonRigidMember
8938 def get_is_setup(*args):
8940 get_is_setup(_ParticleAdaptor p) -> bool
8941 get_is_setup(Model m, ParticleIndex p) -> bool
8943 return _IMP_core.NonRigidMember_get_is_setup(*args)
8945 def add_to_internal_derivatives(self, deriv_parent, da):
8946 r"""add_to_internal_derivatives(NonRigidMember self, Vector3D deriv_parent, DerivativeAccumulator da)"""
8947 return _IMP_core.NonRigidMember_add_to_internal_derivatives(self, deriv_parent, da)
8949 def add_to_internal_rotational_derivatives(self, *args):
8951 add_to_internal_rotational_derivatives(NonRigidMember self, Vector4D local_qderiv, Rotation3D rot_local_to_parent, Rotation3D rot_parent_to_global, DerivativeAccumulator da)
8952 add_to_internal_rotational_derivatives(NonRigidMember self, Vector4D qderiv, DerivativeAccumulator da)
8954 return _IMP_core.NonRigidMember_add_to_internal_rotational_derivatives(self, *args)
8956 def get_internal_derivatives(self):
8957 r"""get_internal_derivatives(NonRigidMember self) -> Vector3D"""
8958 return _IMP_core.NonRigidMember_get_internal_derivatives(self)
8960 def get_internal_rotational_derivatives(self):
8961 r"""get_internal_rotational_derivatives(NonRigidMember self) -> Vector4D"""
8962 return _IMP_core.NonRigidMember_get_internal_rotational_derivatives(self)
8964 def add_attribute(self, *args):
8966 add_attribute(NonRigidMember self, FloatKey k, IMP::Float v, bool opt)
8967 add_attribute(NonRigidMember self, FloatKey a0, IMP::Float a1)
8968 add_attribute(NonRigidMember self, IntKey a0, IMP::Int a1)
8969 add_attribute(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
8970 add_attribute(NonRigidMember self, IntsKey a0, IMP::Ints a1)
8971 add_attribute(NonRigidMember self, StringKey a0, IMP::String a1)
8972 add_attribute(NonRigidMember self, ParticleIndexKey a0, Particle a1)
8973 add_attribute(NonRigidMember self, ObjectKey a0, Object a1)
8974 add_attribute(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
8975 add_attribute(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
8976 add_attribute(NonRigidMember self, SparseStringKey a0, IMP::String a1)
8977 add_attribute(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8979 return _IMP_core.NonRigidMember_add_attribute(self, *args)
8981 def get_value(self, *args):
8983 get_value(NonRigidMember self, FloatKey a0) -> IMP::Float
8984 get_value(NonRigidMember self, IntKey a0) -> IMP::Int
8985 get_value(NonRigidMember self, FloatsKey a0) -> IMP::Floats
8986 get_value(NonRigidMember self, IntsKey a0) -> IMP::Ints
8987 get_value(NonRigidMember self, StringKey a0) -> IMP::String
8988 get_value(NonRigidMember self, ParticleIndexKey a0) -> Particle
8989 get_value(NonRigidMember self, ObjectKey a0) -> Object
8990 get_value(NonRigidMember self, SparseFloatKey a0) -> IMP::Float
8991 get_value(NonRigidMember self, SparseIntKey a0) -> IMP::Int
8992 get_value(NonRigidMember self, SparseStringKey a0) -> IMP::String
8993 get_value(NonRigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
8995 return _IMP_core.NonRigidMember_get_value(self, *args)
8997 def set_value(self, *args):
8999 set_value(NonRigidMember self, FloatKey a0, IMP::Float a1)
9000 set_value(NonRigidMember self, IntKey a0, IMP::Int a1)
9001 set_value(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
9002 set_value(NonRigidMember self, IntsKey a0, IMP::Ints a1)
9003 set_value(NonRigidMember self, StringKey a0, IMP::String a1)
9004 set_value(NonRigidMember self, ParticleIndexKey a0, Particle a1)
9005 set_value(NonRigidMember self, ObjectKey a0, Object a1)
9006 set_value(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
9007 set_value(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
9008 set_value(NonRigidMember self, SparseStringKey a0, IMP::String a1)
9009 set_value(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
9011 return _IMP_core.NonRigidMember_set_value(self, *args)
9013 def remove_attribute(self, *args):
9015 remove_attribute(NonRigidMember self, FloatKey a0)
9016 remove_attribute(NonRigidMember self, IntKey a0)
9017 remove_attribute(NonRigidMember self, FloatsKey a0)
9018 remove_attribute(NonRigidMember self, IntsKey a0)
9019 remove_attribute(NonRigidMember self, StringKey a0)
9020 remove_attribute(NonRigidMember self, ParticleIndexKey a0)
9021 remove_attribute(NonRigidMember self, ObjectKey a0)
9022 remove_attribute(NonRigidMember self, SparseFloatKey a0)
9023 remove_attribute(NonRigidMember self, SparseIntKey a0)
9024 remove_attribute(NonRigidMember self, SparseStringKey a0)
9025 remove_attribute(NonRigidMember self, SparseParticleIndexKey a0)
9027 return _IMP_core.NonRigidMember_remove_attribute(self, *args)
9029 def has_attribute(self, *args):
9031 has_attribute(NonRigidMember self, FloatKey a0) -> bool
9032 has_attribute(NonRigidMember self, IntKey a0) -> bool
9033 has_attribute(NonRigidMember self, FloatsKey a0) -> bool
9034 has_attribute(NonRigidMember self, IntsKey a0) -> bool
9035 has_attribute(NonRigidMember self, StringKey a0) -> bool
9036 has_attribute(NonRigidMember self, ParticleIndexKey a0) -> bool
9037 has_attribute(NonRigidMember self, ObjectKey a0) -> bool
9038 has_attribute(NonRigidMember self, SparseFloatKey a0) -> bool
9039 has_attribute(NonRigidMember self, SparseIntKey a0) -> bool
9040 has_attribute(NonRigidMember self, SparseStringKey a0) -> bool
9041 has_attribute(NonRigidMember self, SparseParticleIndexKey a0) -> bool
9043 return _IMP_core.NonRigidMember_has_attribute(self, *args)
9045 def get_derivative(self, a0):
9046 r"""get_derivative(NonRigidMember self, FloatKey a0) -> double"""
9047 return _IMP_core.NonRigidMember_get_derivative(self, a0)
9050 r"""get_name(NonRigidMember self) -> std::string"""
9051 return _IMP_core.NonRigidMember_get_name(self)
9053 def clear_caches(self):
9054 r"""clear_caches(NonRigidMember self)"""
9055 return _IMP_core.NonRigidMember_clear_caches(self)
9057 def set_name(self, a0):
9058 r"""set_name(NonRigidMember self, std::string a0)"""
9059 return _IMP_core.NonRigidMember_set_name(self, a0)
9062 r"""set_check_level(NonRigidMember self, IMP::CheckLevel a0)"""
9063 return _IMP_core.NonRigidMember_set_check_level(self, a0)
9065 def add_to_derivative(self, a0, a1, a2):
9066 r"""add_to_derivative(NonRigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9067 return _IMP_core.NonRigidMember_add_to_derivative(self, a0, a1, a2)
9069 def set_is_optimized(self, a0, a1):
9070 r"""set_is_optimized(NonRigidMember self, FloatKey a0, bool a1)"""
9071 return _IMP_core.NonRigidMember_set_is_optimized(self, a0, a1)
9073 def get_is_optimized(self, a0):
9074 r"""get_is_optimized(NonRigidMember self, FloatKey a0) -> bool"""
9075 return _IMP_core.NonRigidMember_get_is_optimized(self, a0)
9078 r"""get_check_level(NonRigidMember self) -> IMP::CheckLevel"""
9079 return _IMP_core.NonRigidMember_get_check_level(self)
9081 def __eq__(self, *args):
9083 __eq__(NonRigidMember self, NonRigidMember o) -> bool
9084 __eq__(NonRigidMember self, Particle d) -> bool
9086 return _IMP_core.NonRigidMember___eq__(self, *args)
9088 def __ne__(self, *args):
9090 __ne__(NonRigidMember self, NonRigidMember o) -> bool
9091 __ne__(NonRigidMember self, Particle d) -> bool
9093 return _IMP_core.NonRigidMember___ne__(self, *args)
9095 def __le__(self, *args):
9097 __le__(NonRigidMember self, NonRigidMember o) -> bool
9098 __le__(NonRigidMember self, Particle d) -> bool
9100 return _IMP_core.NonRigidMember___le__(self, *args)
9102 def __lt__(self, *args):
9104 __lt__(NonRigidMember self, NonRigidMember o) -> bool
9105 __lt__(NonRigidMember self, Particle d) -> bool
9107 return _IMP_core.NonRigidMember___lt__(self, *args)
9109 def __ge__(self, *args):
9111 __ge__(NonRigidMember self, NonRigidMember o) -> bool
9112 __ge__(NonRigidMember self, Particle d) -> bool
9114 return _IMP_core.NonRigidMember___ge__(self, *args)
9116 def __gt__(self, *args):
9118 __gt__(NonRigidMember self, NonRigidMember o) -> bool
9119 __gt__(NonRigidMember self, Particle d) -> bool
9121 return _IMP_core.NonRigidMember___gt__(self, *args)
9124 r"""__hash__(NonRigidMember self) -> std::size_t"""
9125 return _IMP_core.NonRigidMember___hash__(self)
9128 r"""__str__(NonRigidMember self) -> std::string"""
9129 return _IMP_core.NonRigidMember___str__(self)
9132 r"""__repr__(NonRigidMember self) -> std::string"""
9133 return _IMP_core.NonRigidMember___repr__(self)
9135 def _get_as_binary(self):
9136 r"""_get_as_binary(NonRigidMember self) -> PyObject *"""
9137 return _IMP_core.NonRigidMember__get_as_binary(self)
9139 def _set_from_binary(self, p):
9140 r"""_set_from_binary(NonRigidMember self, PyObject * p)"""
9141 return _IMP_core.NonRigidMember__set_from_binary(self, p)
9143 def __getstate__(self):
9144 p = self._get_as_binary()
9145 if len(self.__dict__) > 1:
9146 d = self.__dict__.copy()
9151 def __setstate__(self, p):
9152 if not hasattr(self,
'this'):
9154 if isinstance(p, tuple):
9156 self.__dict__.update(d)
9157 return self._set_from_binary(p)
9161 _IMP_core.NonRigidMember_swigregister(NonRigidMember)
9163 r"""Proxy of C++ IMP::core::RigidMembersRefiner class."""
9165 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9167 def __init__(self, *args):
9168 r"""__init__(RigidMembersRefiner self, std::string name="RigidMembersRefiner%d") -> RigidMembersRefiner"""
9169 _IMP_core.RigidMembersRefiner_swiginit(self, _IMP_core.new_RigidMembersRefiner(*args))
9171 def do_get_inputs(self, m, pis):
9172 r"""do_get_inputs(RigidMembersRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9173 return _IMP_core.RigidMembersRefiner_do_get_inputs(self, m, pis)
9175 def get_version_info(self):
9176 r"""get_version_info(RigidMembersRefiner self) -> VersionInfo"""
9177 return _IMP_core.RigidMembersRefiner_get_version_info(self)
9178 __swig_destroy__ = _IMP_core.delete_RigidMembersRefiner
9181 r"""__str__(RigidMembersRefiner self) -> std::string"""
9182 return _IMP_core.RigidMembersRefiner___str__(self)
9185 r"""__repr__(RigidMembersRefiner self) -> std::string"""
9186 return _IMP_core.RigidMembersRefiner___repr__(self)
9190 return _object_cast_to_RigidMembersRefiner(o)
9194 _IMP_core.RigidMembersRefiner_swigregister(RigidMembersRefiner)
9196 def get_rigid_members_refiner():
9197 r"""get_rigid_members_refiner() -> RigidMembersRefiner"""
9198 return _IMP_core.get_rigid_members_refiner()
9202 transform(XYZ a, Transformation3D tr)
9203 transform(RigidBody a, Transformation3D tr)
9205 return _IMP_core.transform(*args)
9209 get_initial_reference_frame(Model m, IMP::ParticleIndexes const & pis) -> ReferenceFrame3D
9210 get_initial_reference_frame(IMP::ParticlesTemp const & ps) -> ReferenceFrame3D
9212 return _IMP_core.get_initial_reference_frame(*args)
9215 r"""create_rigid_bodies(Model m, unsigned int n, bool no_members=False) -> IMP::ParticlesTemp"""
9216 return _IMP_core.create_rigid_bodies(m, n, no_members)
9219 r"""show_rigid_body_hierarchy(RigidBody rb, TextOutput out=IMP::TextOutput(std::cout))"""
9220 return _IMP_core.show_rigid_body_hierarchy(*args)
9223 r"""get_root_rigid_body(RigidMember m) -> ParticleIndex"""
9224 return _IMP_core.get_root_rigid_body(m)
9226 r"""Proxy of C++ IMP::core::internal::_UpdateRigidBodyMembers class."""
9228 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9230 def __init__(self, *args):
9231 r"""__init__(_UpdateRigidBodyMembers self, std::string name="UpdateRigidBodyMembers%1%") -> _UpdateRigidBodyMembers"""
9232 _IMP_core._UpdateRigidBodyMembers_swiginit(self, _IMP_core.new__UpdateRigidBodyMembers(*args))
9234 def do_get_inputs(self, m, pis):
9235 r"""do_get_inputs(_UpdateRigidBodyMembers self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9236 return _IMP_core._UpdateRigidBodyMembers_do_get_inputs(self, m, pis)
9238 def do_get_outputs(self, m, pis):
9239 r"""do_get_outputs(_UpdateRigidBodyMembers self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9240 return _IMP_core._UpdateRigidBodyMembers_do_get_outputs(self, m, pis)
9242 def get_version_info(self):
9243 r"""get_version_info(_UpdateRigidBodyMembers self) -> VersionInfo"""
9244 return _IMP_core._UpdateRigidBodyMembers_get_version_info(self)
9245 __swig_destroy__ = _IMP_core.delete__UpdateRigidBodyMembers
9248 r"""__str__(_UpdateRigidBodyMembers self) -> std::string"""
9249 return _IMP_core._UpdateRigidBodyMembers___str__(self)
9252 r"""__repr__(_UpdateRigidBodyMembers self) -> std::string"""
9253 return _IMP_core._UpdateRigidBodyMembers___repr__(self)
9257 return _object_cast_to__UpdateRigidBodyMembers(o)
9261 _IMP_core._UpdateRigidBodyMembers_swigregister(_UpdateRigidBodyMembers)
9263 r"""Proxy of C++ IMP::core::internal::_AccumulateRigidBodyDerivatives class."""
9265 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9267 def __init__(self, *args):
9268 r"""__init__(_AccumulateRigidBodyDerivatives self, std::string name="AccumulateRigidBodyDerivatives%1%") -> _AccumulateRigidBodyDerivatives"""
9269 _IMP_core._AccumulateRigidBodyDerivatives_swiginit(self, _IMP_core.new__AccumulateRigidBodyDerivatives(*args))
9271 def do_get_inputs(self, m, pis):
9272 r"""do_get_inputs(_AccumulateRigidBodyDerivatives self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9273 return _IMP_core._AccumulateRigidBodyDerivatives_do_get_inputs(self, m, pis)
9275 def do_get_outputs(self, m, pis):
9276 r"""do_get_outputs(_AccumulateRigidBodyDerivatives self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9277 return _IMP_core._AccumulateRigidBodyDerivatives_do_get_outputs(self, m, pis)
9279 def get_version_info(self):
9280 r"""get_version_info(_AccumulateRigidBodyDerivatives self) -> VersionInfo"""
9281 return _IMP_core._AccumulateRigidBodyDerivatives_get_version_info(self)
9282 __swig_destroy__ = _IMP_core.delete__AccumulateRigidBodyDerivatives
9285 r"""__str__(_AccumulateRigidBodyDerivatives self) -> std::string"""
9286 return _IMP_core._AccumulateRigidBodyDerivatives___str__(self)
9289 r"""__repr__(_AccumulateRigidBodyDerivatives self) -> std::string"""
9290 return _IMP_core._AccumulateRigidBodyDerivatives___repr__(self)
9294 return _object_cast_to__AccumulateRigidBodyDerivatives(o)
9298 _IMP_core._AccumulateRigidBodyDerivatives_swigregister(_AccumulateRigidBodyDerivatives)
9300 r"""Proxy of C++ IMP::core::internal::_NormalizeRotation class."""
9302 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9304 def __init__(self, *args):
9305 r"""__init__(_NormalizeRotation self, std::string name="NormalizeRotation%1%") -> _NormalizeRotation"""
9306 _IMP_core._NormalizeRotation_swiginit(self, _IMP_core.new__NormalizeRotation(*args))
9308 def do_get_inputs(self, m, pis):
9309 r"""do_get_inputs(_NormalizeRotation self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9310 return _IMP_core._NormalizeRotation_do_get_inputs(self, m, pis)
9312 def do_get_outputs(self, m, pis):
9313 r"""do_get_outputs(_NormalizeRotation self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9314 return _IMP_core._NormalizeRotation_do_get_outputs(self, m, pis)
9316 def get_version_info(self):
9317 r"""get_version_info(_NormalizeRotation self) -> VersionInfo"""
9318 return _IMP_core._NormalizeRotation_get_version_info(self)
9319 __swig_destroy__ = _IMP_core.delete__NormalizeRotation
9322 r"""__str__(_NormalizeRotation self) -> std::string"""
9323 return _IMP_core._NormalizeRotation___str__(self)
9326 r"""__repr__(_NormalizeRotation self) -> std::string"""
9327 return _IMP_core._NormalizeRotation___repr__(self)
9331 return _object_cast_to__NormalizeRotation(o)
9335 _IMP_core._NormalizeRotation_swigregister(_NormalizeRotation)
9337 r"""Proxy of C++ IMP::core::internal::_RigidBodyNormalizeConstraint class."""
9339 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9341 def __init__(self, *args, **kwargs):
9342 raise AttributeError(
"No constructor defined - class is abstract")
9344 def get_before_modifier(self):
9345 r"""get_before_modifier(_RigidBodyNormalizeConstraint self) -> _NormalizeRotation"""
9346 return _IMP_core._RigidBodyNormalizeConstraint_get_before_modifier(self)
9348 def get_container(self):
9349 r"""get_container(_RigidBodyNormalizeConstraint self) -> Container"""
9350 return _IMP_core._RigidBodyNormalizeConstraint_get_container(self)
9352 def get_version_info(self):
9353 r"""get_version_info(_RigidBodyNormalizeConstraint self) -> VersionInfo"""
9354 return _IMP_core._RigidBodyNormalizeConstraint_get_version_info(self)
9355 __swig_destroy__ = _IMP_core.delete__RigidBodyNormalizeConstraint
9358 r"""__str__(_RigidBodyNormalizeConstraint self) -> std::string"""
9359 return _IMP_core._RigidBodyNormalizeConstraint___str__(self)
9362 r"""__repr__(_RigidBodyNormalizeConstraint self) -> std::string"""
9363 return _IMP_core._RigidBodyNormalizeConstraint___repr__(self)
9367 return _object_cast_to__RigidBodyNormalizeConstraint(o)
9371 _IMP_core._RigidBodyNormalizeConstraint_swigregister(_RigidBodyNormalizeConstraint)
9373 r"""Proxy of C++ IMP::core::internal::_RigidBodyPositionConstraint class."""
9375 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9377 def __init__(self, *args, **kwargs):
9378 raise AttributeError(
"No constructor defined - class is abstract")
9380 def get_version_info(self):
9381 r"""get_version_info(_RigidBodyPositionConstraint self) -> VersionInfo"""
9382 return _IMP_core._RigidBodyPositionConstraint_get_version_info(self)
9383 __swig_destroy__ = _IMP_core.delete__RigidBodyPositionConstraint
9385 def get_before_modifier(self):
9386 r"""get_before_modifier(_RigidBodyPositionConstraint self) -> _UpdateRigidBodyMembers"""
9387 return _IMP_core._RigidBodyPositionConstraint_get_before_modifier(self)
9389 def get_after_modifier(self):
9390 r"""get_after_modifier(_RigidBodyPositionConstraint self) -> _AccumulateRigidBodyDerivatives"""
9391 return _IMP_core._RigidBodyPositionConstraint_get_after_modifier(self)
9394 r"""get_index(_RigidBodyPositionConstraint self) -> ParticleIndex"""
9395 return _IMP_core._RigidBodyPositionConstraint_get_index(self)
9398 r"""__str__(_RigidBodyPositionConstraint self) -> std::string"""
9399 return _IMP_core._RigidBodyPositionConstraint___str__(self)
9402 r"""__repr__(_RigidBodyPositionConstraint self) -> std::string"""
9403 return _IMP_core._RigidBodyPositionConstraint___repr__(self)
9407 return _object_cast_to__RigidBodyPositionConstraint(o)
9411 _IMP_core._RigidBodyPositionConstraint_swigregister(_RigidBodyPositionConstraint)
9413 r"""Proxy of C++ IMP::core::RigidBodyHierarchyGeometry class."""
9415 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9417 def __init__(self, rb, constituents):
9418 r"""__init__(RigidBodyHierarchyGeometry self, RigidBody rb, IMP::ParticlesTemp const & constituents) -> RigidBodyHierarchyGeometry"""
9419 _IMP_core.RigidBodyHierarchyGeometry_swiginit(self, _IMP_core.new_RigidBodyHierarchyGeometry(rb, constituents))
9421 def get_version_info(self):
9422 r"""get_version_info(RigidBodyHierarchyGeometry self) -> VersionInfo"""
9423 return _IMP_core.RigidBodyHierarchyGeometry_get_version_info(self)
9424 __swig_destroy__ = _IMP_core.delete_RigidBodyHierarchyGeometry
9427 r"""__str__(RigidBodyHierarchyGeometry self) -> std::string"""
9428 return _IMP_core.RigidBodyHierarchyGeometry___str__(self)
9431 r"""__repr__(RigidBodyHierarchyGeometry self) -> std::string"""
9432 return _IMP_core.RigidBodyHierarchyGeometry___repr__(self)
9436 return _object_cast_to_RigidBodyHierarchyGeometry(o)
9440 _IMP_core.RigidBodyHierarchyGeometry_swigregister(RigidBodyHierarchyGeometry)
9442 r"""Proxy of C++ IMP::core::RigidBodyDerivativeGeometry class."""
9444 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9446 def __init__(self, *args):
9448 __init__(RigidBodyDerivativeGeometry self, Particle p) -> RigidBodyDerivativeGeometry
9449 __init__(RigidBodyDerivativeGeometry self, RigidBody d) -> RigidBodyDerivativeGeometry
9451 _IMP_core.RigidBodyDerivativeGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativeGeometry(*args))
9453 def get_version_info(self):
9454 r"""get_version_info(RigidBodyDerivativeGeometry self) -> VersionInfo"""
9455 return _IMP_core.RigidBodyDerivativeGeometry_get_version_info(self)
9456 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativeGeometry
9459 r"""__str__(RigidBodyDerivativeGeometry self) -> std::string"""
9460 return _IMP_core.RigidBodyDerivativeGeometry___str__(self)
9463 r"""__repr__(RigidBodyDerivativeGeometry self) -> std::string"""
9464 return _IMP_core.RigidBodyDerivativeGeometry___repr__(self)
9468 return _object_cast_to_RigidBodyDerivativeGeometry(o)
9472 _IMP_core.RigidBodyDerivativeGeometry_swigregister(RigidBodyDerivativeGeometry)
9474 r"""Proxy of C++ IMP::core::RigidBodyDerivativesGeometry class."""
9476 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9478 def __init__(self, sc):
9479 r"""__init__(RigidBodyDerivativesGeometry self, SingletonContainer sc) -> RigidBodyDerivativesGeometry"""
9480 _IMP_core.RigidBodyDerivativesGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativesGeometry(sc))
9482 def get_version_info(self):
9483 r"""get_version_info(RigidBodyDerivativesGeometry self) -> VersionInfo"""
9484 return _IMP_core.RigidBodyDerivativesGeometry_get_version_info(self)
9485 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativesGeometry
9488 r"""__str__(RigidBodyDerivativesGeometry self) -> std::string"""
9489 return _IMP_core.RigidBodyDerivativesGeometry___str__(self)
9492 r"""__repr__(RigidBodyDerivativesGeometry self) -> std::string"""
9493 return _IMP_core.RigidBodyDerivativesGeometry___repr__(self)
9497 return _object_cast_to_RigidBodyDerivativesGeometry(o)
9501 _IMP_core.RigidBodyDerivativesGeometry_swigregister(RigidBodyDerivativesGeometry)
9503 r"""Proxy of C++ IMP::core::RigidBodyFrameGeometry class."""
9505 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9507 def __init__(self, *args):
9509 __init__(RigidBodyFrameGeometry self, Particle p) -> RigidBodyFrameGeometry
9510 __init__(RigidBodyFrameGeometry self, RigidBody d) -> RigidBodyFrameGeometry
9512 _IMP_core.RigidBodyFrameGeometry_swiginit(self, _IMP_core.new_RigidBodyFrameGeometry(*args))
9514 def get_version_info(self):
9515 r"""get_version_info(RigidBodyFrameGeometry self) -> VersionInfo"""
9516 return _IMP_core.RigidBodyFrameGeometry_get_version_info(self)
9517 __swig_destroy__ = _IMP_core.delete_RigidBodyFrameGeometry
9520 r"""__str__(RigidBodyFrameGeometry self) -> std::string"""
9521 return _IMP_core.RigidBodyFrameGeometry___str__(self)
9524 r"""__repr__(RigidBodyFrameGeometry self) -> std::string"""
9525 return _IMP_core.RigidBodyFrameGeometry___repr__(self)
9529 return _object_cast_to_RigidBodyFrameGeometry(o)
9533 _IMP_core.RigidBodyFrameGeometry_swigregister(RigidBodyFrameGeometry)
9535 r"""Proxy of C++ IMP::core::RigidBodyFramesGeometry class."""
9537 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9539 def __init__(self, sc):
9540 r"""__init__(RigidBodyFramesGeometry self, SingletonContainer sc) -> RigidBodyFramesGeometry"""
9541 _IMP_core.RigidBodyFramesGeometry_swiginit(self, _IMP_core.new_RigidBodyFramesGeometry(sc))
9543 def get_version_info(self):
9544 r"""get_version_info(RigidBodyFramesGeometry self) -> VersionInfo"""
9545 return _IMP_core.RigidBodyFramesGeometry_get_version_info(self)
9546 __swig_destroy__ = _IMP_core.delete_RigidBodyFramesGeometry
9549 r"""__str__(RigidBodyFramesGeometry self) -> std::string"""
9550 return _IMP_core.RigidBodyFramesGeometry___str__(self)
9553 r"""__repr__(RigidBodyFramesGeometry self) -> std::string"""
9554 return _IMP_core.RigidBodyFramesGeometry___repr__(self)
9558 return _object_cast_to_RigidBodyFramesGeometry(o)
9562 _IMP_core.RigidBodyFramesGeometry_swigregister(RigidBodyFramesGeometry)
9564 r"""Proxy of C++ IMP::core::RigidBodyTorque class."""
9566 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9568 def __init__(self, p):
9569 r"""__init__(RigidBodyTorque self, Particle p) -> RigidBodyTorque"""
9570 _IMP_core.RigidBodyTorque_swiginit(self, _IMP_core.new_RigidBodyTorque(p))
9573 r"""__str__(RigidBodyTorque self) -> std::string"""
9574 return _IMP_core.RigidBodyTorque___str__(self)
9577 r"""__repr__(RigidBodyTorque self) -> std::string"""
9578 return _IMP_core.RigidBodyTorque___repr__(self)
9582 return _object_cast_to_RigidBodyTorque(o)
9584 __swig_destroy__ = _IMP_core.delete_RigidBodyTorque
9587 _IMP_core.RigidBodyTorque_swigregister(RigidBodyTorque)
9588 class NearestNeighborsClosePairsFinder(ClosePairsFinder):
9589 r"""Proxy of C++ IMP::core::NearestNeighborsClosePairsFinder class."""
9591 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9594 r"""__init__(NearestNeighborsClosePairsFinder self) -> NearestNeighborsClosePairsFinder"""
9595 _IMP_core.NearestNeighborsClosePairsFinder_swiginit(self, _IMP_core.new_NearestNeighborsClosePairsFinder())
9597 def get_close_pairs(self, *args):
9599 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9600 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9601 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
9602 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
9604 return _IMP_core.NearestNeighborsClosePairsFinder_get_close_pairs(self, *args)
9606 def do_get_inputs(self, m, pis):
9607 r"""do_get_inputs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9608 return _IMP_core.NearestNeighborsClosePairsFinder_do_get_inputs(self, m, pis)
9610 def get_version_info(self):
9611 r"""get_version_info(NearestNeighborsClosePairsFinder self) -> VersionInfo"""
9612 return _IMP_core.NearestNeighborsClosePairsFinder_get_version_info(self)
9613 __swig_destroy__ = _IMP_core.delete_NearestNeighborsClosePairsFinder
9616 r"""__str__(NearestNeighborsClosePairsFinder self) -> std::string"""
9617 return _IMP_core.NearestNeighborsClosePairsFinder___str__(self)
9620 r"""__repr__(NearestNeighborsClosePairsFinder self) -> std::string"""
9621 return _IMP_core.NearestNeighborsClosePairsFinder___repr__(self)
9625 return _object_cast_to_NearestNeighborsClosePairsFinder(o)
9629 _IMP_core.NearestNeighborsClosePairsFinder_swigregister(NearestNeighborsClosePairsFinder)
9631 r"""Proxy of C++ IMP::core::RestraintsScoringFunction class."""
9633 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9635 def __init__(self, *args):
9637 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, double weight=1.0, double max=NO_MAX, std::string name="RestraintsScoringFunction%1%") -> RestraintsScoringFunction
9638 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, std::string name) -> RestraintsScoringFunction
9639 __init__(RestraintsScoringFunction self) -> RestraintsScoringFunction
9641 _IMP_core.RestraintsScoringFunction_swiginit(self, _IMP_core.new_RestraintsScoringFunction(*args))
9643 def do_add_score_and_derivatives(self, sa, ss):
9644 r"""do_add_score_and_derivatives(RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
9645 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives(self, sa, ss)
9647 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
9648 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)"""
9649 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
9651 def do_get_inputs(self):
9652 r"""do_get_inputs(RestraintsScoringFunction self) -> IMP::ModelObjectsTemp"""
9653 return _IMP_core.RestraintsScoringFunction_do_get_inputs(self)
9655 def get_restraints(self):
9656 r"""get_restraints(RestraintsScoringFunction self) -> IMP::Restraints"""
9657 return _IMP_core.RestraintsScoringFunction_get_restraints(self)
9659 def set_restraints(self, d):
9660 r"""set_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9661 return _IMP_core.RestraintsScoringFunction_set_restraints(self, d)
9663 def get_number_of_restraints(self):
9664 r"""get_number_of_restraints(RestraintsScoringFunction self) -> unsigned int"""
9665 return _IMP_core.RestraintsScoringFunction_get_number_of_restraints(self)
9667 def clear_restraints(self):
9668 r"""clear_restraints(RestraintsScoringFunction self)"""
9669 return _IMP_core.RestraintsScoringFunction_clear_restraints(self)
9671 def get_restraint(self, i):
9672 r"""get_restraint(RestraintsScoringFunction self, unsigned int i) -> Restraint"""
9673 return _IMP_core.RestraintsScoringFunction_get_restraint(self, i)
9675 def erase_restraint(self, i):
9676 r"""erase_restraint(RestraintsScoringFunction self, unsigned int i)"""
9677 return _IMP_core.RestraintsScoringFunction_erase_restraint(self, i)
9680 r"""add_restraint(RestraintsScoringFunction self, Restraint d) -> unsigned int"""
9681 return _IMP_core.RestraintsScoringFunction_add_restraint(self, d)
9684 r"""add_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9685 return _IMP_core.RestraintsScoringFunction_add_restraints(self, d)
9687 def _python_index_restraint(self, r, start, stop):
9688 r"""_python_index_restraint(RestraintsScoringFunction self, Restraint r, unsigned int start, unsigned int stop) -> unsigned int"""
9689 return _IMP_core.RestraintsScoringFunction__python_index_restraint(self, r, start, stop)
9690 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)
9691 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
9692 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
9693 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##Restraints")
9695 def get_version_info(self):
9696 r"""get_version_info(RestraintsScoringFunction self) -> VersionInfo"""
9697 return _IMP_core.RestraintsScoringFunction_get_version_info(self)
9698 __swig_destroy__ = _IMP_core.delete_RestraintsScoringFunction
9701 r"""__str__(RestraintsScoringFunction self) -> std::string"""
9702 return _IMP_core.RestraintsScoringFunction___str__(self)
9705 r"""__repr__(RestraintsScoringFunction self) -> std::string"""
9706 return _IMP_core.RestraintsScoringFunction___repr__(self)
9710 return _object_cast_to_RestraintsScoringFunction(o)
9713 def _get_as_binary(self):
9714 r"""_get_as_binary(RestraintsScoringFunction self) -> PyObject *"""
9715 return _IMP_core.RestraintsScoringFunction__get_as_binary(self)
9717 def _set_from_binary(self, p):
9718 r"""_set_from_binary(RestraintsScoringFunction self, PyObject * p)"""
9719 return _IMP_core.RestraintsScoringFunction__set_from_binary(self, p)
9721 def __getstate__(self):
9722 p = self._get_as_binary()
9723 if len(self.__dict__) > 1:
9724 d = self.__dict__.copy()
9729 def __setstate__(self, p):
9730 if not hasattr(self,
'this'):
9732 if isinstance(p, tuple):
9734 self.__dict__.update(d)
9735 return self._set_from_binary(p)
9739 import IMP._jax_util
9740 jis = [r.get_derived_object()._get_jax()
for r
in self.restraints]
9741 funcs = [j.score_func
for j
in jis]
9742 keys = frozenset(x
for j
in jis
for x
in j._keys)
9744 return sum(f(jm)
for f
in funcs)
9745 return IMP._jax_util.JAXRestraintInfo(
9746 m=self.get_model(), score_func=jax_sf, weight=1.0, keys=keys)
9750 _IMP_core.RestraintsScoringFunction_swigregister(RestraintsScoringFunction)
9751 class RigidClosePairsFinder(ClosePairsFinder):
9752 r"""Proxy of C++ IMP::core::RigidClosePairsFinder class."""
9754 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9756 def __init__(self, cpf=None):
9757 r"""__init__(RigidClosePairsFinder self, ClosePairsFinder cpf=None) -> RigidClosePairsFinder"""
9758 _IMP_core.RigidClosePairsFinder_swiginit(self, _IMP_core.new_RigidClosePairsFinder(cpf))
9760 def do_get_inputs(self, m, pis):
9761 r"""do_get_inputs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9762 return _IMP_core.RigidClosePairsFinder_do_get_inputs(self, m, pis)
9764 def get_close_pairs(self, *args):
9766 get_close_pairs(RigidClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b, IMP::ParticleIndexes const & pa, IMP::ParticleIndexes const & pb) -> IMP::ParticleIndexPairs
9767 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9768 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9769 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
9770 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
9772 return _IMP_core.RigidClosePairsFinder_get_close_pairs(self, *args)
9774 def get_version_info(self):
9775 r"""get_version_info(RigidClosePairsFinder self) -> VersionInfo"""
9776 return _IMP_core.RigidClosePairsFinder_get_version_info(self)
9777 __swig_destroy__ = _IMP_core.delete_RigidClosePairsFinder
9780 r"""__str__(RigidClosePairsFinder self) -> std::string"""
9781 return _IMP_core.RigidClosePairsFinder___str__(self)
9784 r"""__repr__(RigidClosePairsFinder self) -> std::string"""
9785 return _IMP_core.RigidClosePairsFinder___repr__(self)
9789 return _object_cast_to_RigidClosePairsFinder(o)
9792 def _get_as_binary(self):
9793 r"""_get_as_binary(RigidClosePairsFinder self) -> PyObject *"""
9794 return _IMP_core.RigidClosePairsFinder__get_as_binary(self)
9796 def _set_from_binary(self, p):
9797 r"""_set_from_binary(RigidClosePairsFinder self, PyObject * p)"""
9798 return _IMP_core.RigidClosePairsFinder__set_from_binary(self, p)
9800 def __getstate__(self):
9801 p = self._get_as_binary()
9802 if len(self.__dict__) > 1:
9803 d = self.__dict__.copy()
9808 def __setstate__(self, p):
9809 if not hasattr(self,
'this'):
9811 if isinstance(p, tuple):
9813 self.__dict__.update(d)
9814 return self._set_from_binary(p)
9818 _IMP_core.RigidClosePairsFinder_swigregister(RigidClosePairsFinder)
9820 r"""Proxy of C++ IMP::core::SphereDistancePairScore class."""
9822 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9823 __repr__ = _swig_repr
9825 def __init__(self, *args):
9827 SphereDistancePairScore(UnaryFunction uf, std::string name="SphereDistancePairScore%1%") -> _SphereDistancePairScore
9828 __init__(_SphereDistancePairScore self) -> _SphereDistancePairScore
9830 _IMP_core._SphereDistancePairScore_swiginit(self, _IMP_core.new__SphereDistancePairScore(*args))
9832 def do_get_inputs(self, m, pis):
9833 r"""do_get_inputs(_SphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9834 return _IMP_core._SphereDistancePairScore_do_get_inputs(self, m, pis)
9836 def get_score_functor(self, *args):
9838 get_score_functor(_SphereDistancePairScore self) -> _SphereDistanceUF
9839 get_score_functor(_SphereDistancePairScore self) -> _SphereDistanceUF
9841 return _IMP_core._SphereDistancePairScore_get_score_functor(self, *args)
9843 def get_version_info(self):
9844 r"""get_version_info(_SphereDistancePairScore self) -> VersionInfo"""
9845 return _IMP_core._SphereDistancePairScore_get_version_info(self)
9846 __swig_destroy__ = _IMP_core.delete__SphereDistancePairScore
9850 return _object_cast_to__SphereDistancePairScore(o)
9853 def _get_as_binary(self):
9854 r"""_get_as_binary(_SphereDistancePairScore self) -> PyObject *"""
9855 return _IMP_core._SphereDistancePairScore__get_as_binary(self)
9857 def _set_from_binary(self, p):
9858 r"""_set_from_binary(_SphereDistancePairScore self, PyObject * p)"""
9859 return _IMP_core._SphereDistancePairScore__set_from_binary(self, p)
9861 def __getstate__(self):
9862 p = self._get_as_binary()
9863 if len(self.__dict__) > 1:
9864 d = self.__dict__.copy()
9869 def __setstate__(self, p):
9870 if not hasattr(self,
'this'):
9872 if isinstance(p, tuple):
9874 self.__dict__.update(d)
9875 return self._set_from_binary(p)
9878 def _get_jax(self, m, indexes):
9879 import jax.numpy
as jnp
9880 def jax_score(jm, uf):
9881 xyzs = jm[
'xyz'][indexes]
9882 rs = jm[
'r'][indexes]
9883 diff = xyzs[:,0] - xyzs[:,1]
9884 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
9886 sfnc = self.get_score_functor()
9887 uf = sfnc.get_unary_function().get_derived_object()
9888 f = functools.partial(jax_score, uf=uf._get_jax())
9889 return self._wrap_jax(m, f)
9893 _IMP_core._SphereDistancePairScore_swigregister(_SphereDistancePairScore)
9894 class HarmonicUpperBoundSphereDistancePairScore(
IMP.PairScore):
9895 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDistancePairScore class."""
9897 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9899 def __init__(self, *args):
9901 __init__(HarmonicUpperBoundSphereDistancePairScore self, double x0, double k, std::string name="HarmonicUpperBoundSphereDistancePairScore%1%") -> HarmonicUpperBoundSphereDistancePairScore
9902 __init__(HarmonicUpperBoundSphereDistancePairScore self) -> HarmonicUpperBoundSphereDistancePairScore
9904 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDistancePairScore(*args))
9906 def do_get_inputs(self, m, pis):
9907 r"""do_get_inputs(HarmonicUpperBoundSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9908 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_do_get_inputs(self, m, pis)
9910 def get_score_functor(self, *args):
9912 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore
9913 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore const &
9915 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_score_functor(self, *args)
9917 def get_version_info(self):
9918 r"""get_version_info(HarmonicUpperBoundSphereDistancePairScore self) -> VersionInfo"""
9919 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_version_info(self)
9920 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDistancePairScore
9923 r"""__str__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
9924 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___str__(self)
9927 r"""__repr__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
9928 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___repr__(self)
9932 return _object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o)
9935 def _get_as_binary(self):
9936 r"""_get_as_binary(HarmonicUpperBoundSphereDistancePairScore self) -> PyObject *"""
9937 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__get_as_binary(self)
9939 def _set_from_binary(self, p):
9940 r"""_set_from_binary(HarmonicUpperBoundSphereDistancePairScore self, PyObject * p)"""
9941 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__set_from_binary(self, p)
9943 def __getstate__(self):
9944 p = self._get_as_binary()
9945 if len(self.__dict__) > 1:
9946 d = self.__dict__.copy()
9951 def __setstate__(self, p):
9952 if not hasattr(self,
'this'):
9954 if isinstance(p, tuple):
9956 self.__dict__.update(d)
9957 return self._set_from_binary(p)
9961 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swigregister(HarmonicUpperBoundSphereDistancePairScore)
9962 class HarmonicUpperBoundSphereDiameterPairScore(
IMP.PairScore):
9963 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDiameterPairScore class."""
9965 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9967 def __init__(self, d0, k):
9968 r"""__init__(HarmonicUpperBoundSphereDiameterPairScore self, double d0, double k) -> HarmonicUpperBoundSphereDiameterPairScore"""
9969 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDiameterPairScore(d0, k))
9971 def get_rest_length(self):
9972 r"""get_rest_length(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
9973 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_rest_length(self)
9975 def get_stiffness(self):
9976 r"""get_stiffness(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
9977 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_stiffness(self)
9979 def do_get_inputs(self, m, pis):
9980 r"""do_get_inputs(HarmonicUpperBoundSphereDiameterPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9981 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_do_get_inputs(self, m, pis)
9983 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
9984 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"""
9985 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
9987 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
9988 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"""
9989 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
9991 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
9992 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"""
9993 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
9995 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9996 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"""
9997 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
9999 def get_version_info(self):
10000 r"""get_version_info(HarmonicUpperBoundSphereDiameterPairScore self) -> VersionInfo"""
10001 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_version_info(self)
10002 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDiameterPairScore
10005 r"""__str__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
10006 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___str__(self)
10008 def __repr__(self):
10009 r"""__repr__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
10010 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___repr__(self)
10014 return _object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o)
10018 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swigregister(HarmonicUpperBoundSphereDiameterPairScore)
10020 r"""Proxy of C++ IMP::core::HarmonicSphereDistancePairScore class."""
10022 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10024 def __init__(self, *args):
10026 __init__(HarmonicSphereDistancePairScore self, double x0, double k, std::string name="HarmonicSphereDistancePairScore%1%") -> HarmonicSphereDistancePairScore
10027 __init__(HarmonicSphereDistancePairScore self) -> HarmonicSphereDistancePairScore
10029 _IMP_core.HarmonicSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSphereDistancePairScore(*args))
10031 def do_get_inputs(self, m, pis):
10032 r"""do_get_inputs(HarmonicSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10033 return _IMP_core.HarmonicSphereDistancePairScore_do_get_inputs(self, m, pis)
10035 def get_score_functor(self, *args):
10037 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore
10038 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore const &
10040 return _IMP_core.HarmonicSphereDistancePairScore_get_score_functor(self, *args)
10043 r"""get_x0(HarmonicSphereDistancePairScore self) -> double"""
10044 return _IMP_core.HarmonicSphereDistancePairScore_get_x0(self)
10047 r"""get_k(HarmonicSphereDistancePairScore self) -> double"""
10048 return _IMP_core.HarmonicSphereDistancePairScore_get_k(self)
10050 def get_version_info(self):
10051 r"""get_version_info(HarmonicSphereDistancePairScore self) -> VersionInfo"""
10052 return _IMP_core.HarmonicSphereDistancePairScore_get_version_info(self)
10053 __swig_destroy__ = _IMP_core.delete_HarmonicSphereDistancePairScore
10056 r"""__str__(HarmonicSphereDistancePairScore self) -> std::string"""
10057 return _IMP_core.HarmonicSphereDistancePairScore___str__(self)
10059 def __repr__(self):
10060 r"""__repr__(HarmonicSphereDistancePairScore self) -> std::string"""
10061 return _IMP_core.HarmonicSphereDistancePairScore___repr__(self)
10065 return _object_cast_to_HarmonicSphereDistancePairScore(o)
10068 def _get_as_binary(self):
10069 r"""_get_as_binary(HarmonicSphereDistancePairScore self) -> PyObject *"""
10070 return _IMP_core.HarmonicSphereDistancePairScore__get_as_binary(self)
10072 def _set_from_binary(self, p):
10073 r"""_set_from_binary(HarmonicSphereDistancePairScore self, PyObject * p)"""
10074 return _IMP_core.HarmonicSphereDistancePairScore__set_from_binary(self, p)
10076 def __getstate__(self):
10077 p = self._get_as_binary()
10078 if len(self.__dict__) > 1:
10079 d = self.__dict__.copy()
10084 def __setstate__(self, p):
10085 if not hasattr(self,
'this'):
10087 if isinstance(p, tuple):
10089 self.__dict__.update(d)
10090 return self._set_from_binary(p)
10093 def _get_jax(self, m, indexes):
10094 import jax.numpy
as jnp
10095 def jax_score(jm, d, k):
10096 xyzs = jm[
'xyz'][indexes]
10097 rs = jm[
'r'][indexes]
10098 diff = xyzs[:,0] - xyzs[:,1]
10099 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
10100 return 0.5 * k * (d - drs)**2
10101 f = functools.partial(jax_score, d=self.get_x0(), k=self.get_k())
10102 return self._wrap_jax(m, f)
10106 _IMP_core.HarmonicSphereDistancePairScore_swigregister(HarmonicSphereDistancePairScore)
10108 r"""Proxy of C++ IMP::core::NormalizedSphereDistancePairScore class."""
10110 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10112 def __init__(self, *args):
10113 r"""__init__(NormalizedSphereDistancePairScore self, UnaryFunction f, FloatKey radius=IMP::FloatKey("radius")) -> NormalizedSphereDistancePairScore"""
10114 _IMP_core.NormalizedSphereDistancePairScore_swiginit(self, _IMP_core.new_NormalizedSphereDistancePairScore(*args))
10116 def do_get_inputs(self, m, pis):
10117 r"""do_get_inputs(NormalizedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10118 return _IMP_core.NormalizedSphereDistancePairScore_do_get_inputs(self, m, pis)
10120 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10121 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"""
10122 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10124 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10125 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"""
10126 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10128 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10129 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"""
10130 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10132 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10133 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"""
10134 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10136 def get_version_info(self):
10137 r"""get_version_info(NormalizedSphereDistancePairScore self) -> VersionInfo"""
10138 return _IMP_core.NormalizedSphereDistancePairScore_get_version_info(self)
10139 __swig_destroy__ = _IMP_core.delete_NormalizedSphereDistancePairScore
10142 r"""__str__(NormalizedSphereDistancePairScore self) -> std::string"""
10143 return _IMP_core.NormalizedSphereDistancePairScore___str__(self)
10145 def __repr__(self):
10146 r"""__repr__(NormalizedSphereDistancePairScore self) -> std::string"""
10147 return _IMP_core.NormalizedSphereDistancePairScore___repr__(self)
10151 return _object_cast_to_NormalizedSphereDistancePairScore(o)
10155 _IMP_core.NormalizedSphereDistancePairScore_swigregister(NormalizedSphereDistancePairScore)
10157 r"""Proxy of C++ IMP::core::WeightedSphereDistancePairScore class."""
10159 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10161 def __init__(self, *args):
10162 r"""__init__(WeightedSphereDistancePairScore self, UnaryFunction f, FloatKey weight, FloatKey radius=IMP::FloatKey("radius")) -> WeightedSphereDistancePairScore"""
10163 _IMP_core.WeightedSphereDistancePairScore_swiginit(self, _IMP_core.new_WeightedSphereDistancePairScore(*args))
10165 def do_get_inputs(self, m, pis):
10166 r"""do_get_inputs(WeightedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10167 return _IMP_core.WeightedSphereDistancePairScore_do_get_inputs(self, m, pis)
10169 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10170 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"""
10171 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10173 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10174 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"""
10175 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10177 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10178 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"""
10179 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10181 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10182 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"""
10183 return _IMP_core.WeightedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10185 def get_version_info(self):
10186 r"""get_version_info(WeightedSphereDistancePairScore self) -> VersionInfo"""
10187 return _IMP_core.WeightedSphereDistancePairScore_get_version_info(self)
10188 __swig_destroy__ = _IMP_core.delete_WeightedSphereDistancePairScore
10191 r"""__str__(WeightedSphereDistancePairScore self) -> std::string"""
10192 return _IMP_core.WeightedSphereDistancePairScore___str__(self)
10194 def __repr__(self):
10195 r"""__repr__(WeightedSphereDistancePairScore self) -> std::string"""
10196 return _IMP_core.WeightedSphereDistancePairScore___repr__(self)
10200 return _object_cast_to_WeightedSphereDistancePairScore(o)
10204 _IMP_core.WeightedSphereDistancePairScore_swigregister(WeightedSphereDistancePairScore)
10206 r"""Proxy of C++ IMP::core::SoftSpherePairScore class."""
10208 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10210 def __init__(self, *args):
10212 __init__(SoftSpherePairScore self, double k, std::string name="SoftSpherePairScore%1%") -> SoftSpherePairScore
10213 __init__(SoftSpherePairScore self) -> SoftSpherePairScore
10215 _IMP_core.SoftSpherePairScore_swiginit(self, _IMP_core.new_SoftSpherePairScore(*args))
10217 def do_get_inputs(self, m, pis):
10218 r"""do_get_inputs(SoftSpherePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10219 return _IMP_core.SoftSpherePairScore_do_get_inputs(self, m, pis)
10221 def get_score_functor(self, *args):
10223 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore
10224 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore const &
10226 return _IMP_core.SoftSpherePairScore_get_score_functor(self, *args)
10229 r"""get_k(SoftSpherePairScore self) -> double"""
10230 return _IMP_core.SoftSpherePairScore_get_k(self)
10232 def get_version_info(self):
10233 r"""get_version_info(SoftSpherePairScore self) -> VersionInfo"""
10234 return _IMP_core.SoftSpherePairScore_get_version_info(self)
10235 __swig_destroy__ = _IMP_core.delete_SoftSpherePairScore
10238 r"""__str__(SoftSpherePairScore self) -> std::string"""
10239 return _IMP_core.SoftSpherePairScore___str__(self)
10241 def __repr__(self):
10242 r"""__repr__(SoftSpherePairScore self) -> std::string"""
10243 return _IMP_core.SoftSpherePairScore___repr__(self)
10247 return _object_cast_to_SoftSpherePairScore(o)
10250 def _get_as_binary(self):
10251 r"""_get_as_binary(SoftSpherePairScore self) -> PyObject *"""
10252 return _IMP_core.SoftSpherePairScore__get_as_binary(self)
10254 def _set_from_binary(self, p):
10255 r"""_set_from_binary(SoftSpherePairScore self, PyObject * p)"""
10256 return _IMP_core.SoftSpherePairScore__set_from_binary(self, p)
10258 def __getstate__(self):
10259 p = self._get_as_binary()
10260 if len(self.__dict__) > 1:
10261 d = self.__dict__.copy()
10266 def __setstate__(self, p):
10267 if not hasattr(self,
'this'):
10269 if isinstance(p, tuple):
10271 self.__dict__.update(d)
10272 return self._set_from_binary(p)
10275 def _get_jax(self, m, indexes):
10276 import jax.numpy
as jnp
10278 def jax_score(jm, k):
10279 xyzs = jm[
'xyz'][indexes]
10280 rs = jm[
'r'][indexes]
10281 diff = xyzs[:,0] - xyzs[:,1]
10282 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
10283 return 0.5 * k * jax.lax.min(drs, 0.0) ** 2
10284 f = functools.partial(jax_score, k=self.get_k())
10285 return self._wrap_jax(m, f)
10289 _IMP_core.SoftSpherePairScore_swigregister(SoftSpherePairScore)
10291 r"""Proxy of C++ IMP::core::SurfaceDistancePairScore class."""
10293 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10295 def __init__(self, *args):
10296 r"""__init__(SurfaceDistancePairScore self, UnaryFunction uf, std::string name="SurfaceDistancePairScore%1%") -> SurfaceDistancePairScore"""
10297 _IMP_core.SurfaceDistancePairScore_swiginit(self, _IMP_core.new_SurfaceDistancePairScore(*args))
10299 def do_get_inputs(self, m, pis):
10300 r"""do_get_inputs(SurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10301 return _IMP_core.SurfaceDistancePairScore_do_get_inputs(self, m, pis)
10303 def get_version_info(self):
10304 r"""get_version_info(SurfaceDistancePairScore self) -> VersionInfo"""
10305 return _IMP_core.SurfaceDistancePairScore_get_version_info(self)
10306 __swig_destroy__ = _IMP_core.delete_SurfaceDistancePairScore
10309 r"""__str__(SurfaceDistancePairScore self) -> std::string"""
10310 return _IMP_core.SurfaceDistancePairScore___str__(self)
10312 def __repr__(self):
10313 r"""__repr__(SurfaceDistancePairScore self) -> std::string"""
10314 return _IMP_core.SurfaceDistancePairScore___repr__(self)
10318 return _object_cast_to_SurfaceDistancePairScore(o)
10322 _IMP_core.SurfaceDistancePairScore_swigregister(SurfaceDistancePairScore)
10324 r"""Proxy of C++ IMP::core::SurfaceHeightPairScore class."""
10326 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10328 def __init__(self, *args):
10329 r"""__init__(SurfaceHeightPairScore self, UnaryFunction uf, std::string name="SurfaceHeightPairScore%1%") -> SurfaceHeightPairScore"""
10330 _IMP_core.SurfaceHeightPairScore_swiginit(self, _IMP_core.new_SurfaceHeightPairScore(*args))
10332 def do_get_inputs(self, m, pis):
10333 r"""do_get_inputs(SurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10334 return _IMP_core.SurfaceHeightPairScore_do_get_inputs(self, m, pis)
10336 def get_version_info(self):
10337 r"""get_version_info(SurfaceHeightPairScore self) -> VersionInfo"""
10338 return _IMP_core.SurfaceHeightPairScore_get_version_info(self)
10339 __swig_destroy__ = _IMP_core.delete_SurfaceHeightPairScore
10342 r"""__str__(SurfaceHeightPairScore self) -> std::string"""
10343 return _IMP_core.SurfaceHeightPairScore___str__(self)
10345 def __repr__(self):
10346 r"""__repr__(SurfaceHeightPairScore self) -> std::string"""
10347 return _IMP_core.SurfaceHeightPairScore___repr__(self)
10351 return _object_cast_to_SurfaceHeightPairScore(o)
10355 _IMP_core.SurfaceHeightPairScore_swigregister(SurfaceHeightPairScore)
10357 r"""Proxy of C++ IMP::core::SurfaceDepthPairScore class."""
10359 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10361 def __init__(self, *args):
10362 r"""__init__(SurfaceDepthPairScore self, UnaryFunction uf, std::string name="SurfaceDepthPairScore%1%") -> SurfaceDepthPairScore"""
10363 _IMP_core.SurfaceDepthPairScore_swiginit(self, _IMP_core.new_SurfaceDepthPairScore(*args))
10365 def do_get_inputs(self, m, pis):
10366 r"""do_get_inputs(SurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10367 return _IMP_core.SurfaceDepthPairScore_do_get_inputs(self, m, pis)
10369 def get_version_info(self):
10370 r"""get_version_info(SurfaceDepthPairScore self) -> VersionInfo"""
10371 return _IMP_core.SurfaceDepthPairScore_get_version_info(self)
10372 __swig_destroy__ = _IMP_core.delete_SurfaceDepthPairScore
10375 r"""__str__(SurfaceDepthPairScore self) -> std::string"""
10376 return _IMP_core.SurfaceDepthPairScore___str__(self)
10378 def __repr__(self):
10379 r"""__repr__(SurfaceDepthPairScore self) -> std::string"""
10380 return _IMP_core.SurfaceDepthPairScore___repr__(self)
10384 return _object_cast_to_SurfaceDepthPairScore(o)
10388 _IMP_core.SurfaceDepthPairScore_swigregister(SurfaceDepthPairScore)
10390 r"""Proxy of C++ IMP::core::HarmonicSurfaceDistancePairScore class."""
10392 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10394 def __init__(self, *args):
10395 r"""__init__(HarmonicSurfaceDistancePairScore self, double x0, double k, std::string name="HarmonicSurfaceDistancePairScore%1%") -> HarmonicSurfaceDistancePairScore"""
10396 _IMP_core.HarmonicSurfaceDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDistancePairScore(*args))
10398 def do_get_inputs(self, m, pis):
10399 r"""do_get_inputs(HarmonicSurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10400 return _IMP_core.HarmonicSurfaceDistancePairScore_do_get_inputs(self, m, pis)
10402 def get_version_info(self):
10403 r"""get_version_info(HarmonicSurfaceDistancePairScore self) -> VersionInfo"""
10404 return _IMP_core.HarmonicSurfaceDistancePairScore_get_version_info(self)
10405 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDistancePairScore
10408 r"""__str__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10409 return _IMP_core.HarmonicSurfaceDistancePairScore___str__(self)
10411 def __repr__(self):
10412 r"""__repr__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10413 return _IMP_core.HarmonicSurfaceDistancePairScore___repr__(self)
10417 return _object_cast_to_HarmonicSurfaceDistancePairScore(o)
10421 _IMP_core.HarmonicSurfaceDistancePairScore_swigregister(HarmonicSurfaceDistancePairScore)
10423 r"""Proxy of C++ IMP::core::HarmonicSurfaceHeightPairScore class."""
10425 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10427 def __init__(self, *args):
10428 r"""__init__(HarmonicSurfaceHeightPairScore self, double x0, double k, std::string name="HarmonicSurfaceHeightPairScore%1%") -> HarmonicSurfaceHeightPairScore"""
10429 _IMP_core.HarmonicSurfaceHeightPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceHeightPairScore(*args))
10431 def do_get_inputs(self, m, pis):
10432 r"""do_get_inputs(HarmonicSurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10433 return _IMP_core.HarmonicSurfaceHeightPairScore_do_get_inputs(self, m, pis)
10435 def get_version_info(self):
10436 r"""get_version_info(HarmonicSurfaceHeightPairScore self) -> VersionInfo"""
10437 return _IMP_core.HarmonicSurfaceHeightPairScore_get_version_info(self)
10438 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceHeightPairScore
10441 r"""__str__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10442 return _IMP_core.HarmonicSurfaceHeightPairScore___str__(self)
10444 def __repr__(self):
10445 r"""__repr__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10446 return _IMP_core.HarmonicSurfaceHeightPairScore___repr__(self)
10450 return _object_cast_to_HarmonicSurfaceHeightPairScore(o)
10454 _IMP_core.HarmonicSurfaceHeightPairScore_swigregister(HarmonicSurfaceHeightPairScore)
10456 r"""Proxy of C++ IMP::core::HarmonicSurfaceDepthPairScore class."""
10458 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10460 def __init__(self, *args):
10461 r"""__init__(HarmonicSurfaceDepthPairScore self, double x0, double k, std::string name="HarmonicSurfaceDepthPairScore%1%") -> HarmonicSurfaceDepthPairScore"""
10462 _IMP_core.HarmonicSurfaceDepthPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDepthPairScore(*args))
10464 def do_get_inputs(self, m, pis):
10465 r"""do_get_inputs(HarmonicSurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10466 return _IMP_core.HarmonicSurfaceDepthPairScore_do_get_inputs(self, m, pis)
10468 def get_version_info(self):
10469 r"""get_version_info(HarmonicSurfaceDepthPairScore self) -> VersionInfo"""
10470 return _IMP_core.HarmonicSurfaceDepthPairScore_get_version_info(self)
10471 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDepthPairScore
10474 r"""__str__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10475 return _IMP_core.HarmonicSurfaceDepthPairScore___str__(self)
10477 def __repr__(self):
10478 r"""__repr__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10479 return _IMP_core.HarmonicSurfaceDepthPairScore___repr__(self)
10483 return _object_cast_to_HarmonicSurfaceDepthPairScore(o)
10487 _IMP_core.HarmonicSurfaceDepthPairScore_swigregister(HarmonicSurfaceDepthPairScore)
10489 r"""Proxy of C++ IMP::core::SoftSuperSurfacePairScore class."""
10491 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10493 def __init__(self, *args):
10494 r"""__init__(SoftSuperSurfacePairScore self, double k, std::string name="SoftSuperSurfacePairScore%1%") -> SoftSuperSurfacePairScore"""
10495 _IMP_core.SoftSuperSurfacePairScore_swiginit(self, _IMP_core.new_SoftSuperSurfacePairScore(*args))
10497 def do_get_inputs(self, m, pis):
10498 r"""do_get_inputs(SoftSuperSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10499 return _IMP_core.SoftSuperSurfacePairScore_do_get_inputs(self, m, pis)
10501 def get_version_info(self):
10502 r"""get_version_info(SoftSuperSurfacePairScore self) -> VersionInfo"""
10503 return _IMP_core.SoftSuperSurfacePairScore_get_version_info(self)
10504 __swig_destroy__ = _IMP_core.delete_SoftSuperSurfacePairScore
10507 r"""__str__(SoftSuperSurfacePairScore self) -> std::string"""
10508 return _IMP_core.SoftSuperSurfacePairScore___str__(self)
10510 def __repr__(self):
10511 r"""__repr__(SoftSuperSurfacePairScore self) -> std::string"""
10512 return _IMP_core.SoftSuperSurfacePairScore___repr__(self)
10516 return _object_cast_to_SoftSuperSurfacePairScore(o)
10520 _IMP_core.SoftSuperSurfacePairScore_swigregister(SoftSuperSurfacePairScore)
10522 r"""Proxy of C++ IMP::core::SoftSubSurfacePairScore class."""
10524 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10526 def __init__(self, *args):
10527 r"""__init__(SoftSubSurfacePairScore self, double k, std::string name="SoftSubSurfacePairScore%1%") -> SoftSubSurfacePairScore"""
10528 _IMP_core.SoftSubSurfacePairScore_swiginit(self, _IMP_core.new_SoftSubSurfacePairScore(*args))
10530 def do_get_inputs(self, m, pis):
10531 r"""do_get_inputs(SoftSubSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10532 return _IMP_core.SoftSubSurfacePairScore_do_get_inputs(self, m, pis)
10534 def get_version_info(self):
10535 r"""get_version_info(SoftSubSurfacePairScore self) -> VersionInfo"""
10536 return _IMP_core.SoftSubSurfacePairScore_get_version_info(self)
10537 __swig_destroy__ = _IMP_core.delete_SoftSubSurfacePairScore
10540 r"""__str__(SoftSubSurfacePairScore self) -> std::string"""
10541 return _IMP_core.SoftSubSurfacePairScore___str__(self)
10543 def __repr__(self):
10544 r"""__repr__(SoftSubSurfacePairScore self) -> std::string"""
10545 return _IMP_core.SoftSubSurfacePairScore___repr__(self)
10549 return _object_cast_to_SoftSubSurfacePairScore(o)
10553 _IMP_core.SoftSubSurfacePairScore_swigregister(SoftSubSurfacePairScore)
10555 r"""Proxy of C++ IMP::core::SurfaceTetheredChain class."""
10557 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10559 def __init__(self, link_num, link_length):
10560 r"""__init__(SurfaceTetheredChain self, int link_num, double link_length) -> SurfaceTetheredChain"""
10561 _IMP_core.SurfaceTetheredChain_swiginit(self, _IMP_core.new_SurfaceTetheredChain(link_num, link_length))
10563 def get_version_info(self):
10564 r"""get_version_info(SurfaceTetheredChain self) -> VersionInfo"""
10565 return _IMP_core.SurfaceTetheredChain_get_version_info(self)
10566 __swig_destroy__ = _IMP_core.delete_SurfaceTetheredChain
10568 def get_link_number(self):
10569 r"""get_link_number(SurfaceTetheredChain self) -> int"""
10570 return _IMP_core.SurfaceTetheredChain_get_link_number(self)
10572 def get_link_length(self):
10573 r"""get_link_length(SurfaceTetheredChain self) -> double"""
10574 return _IMP_core.SurfaceTetheredChain_get_link_length(self)
10576 def set_link_number(self, N):
10577 r"""set_link_number(SurfaceTetheredChain self, int N)"""
10578 return _IMP_core.SurfaceTetheredChain_set_link_number(self, N)
10580 def set_link_length(self, b):
10581 r"""set_link_length(SurfaceTetheredChain self, double b)"""
10582 return _IMP_core.SurfaceTetheredChain_set_link_length(self, b)
10584 def get_distance_at_minimum(self):
10585 r"""get_distance_at_minimum(SurfaceTetheredChain self) -> double"""
10586 return _IMP_core.SurfaceTetheredChain_get_distance_at_minimum(self)
10588 def get_average_distance(self):
10589 r"""get_average_distance(SurfaceTetheredChain self) -> double"""
10590 return _IMP_core.SurfaceTetheredChain_get_average_distance(self)
10593 r"""__str__(SurfaceTetheredChain self) -> std::string"""
10594 return _IMP_core.SurfaceTetheredChain___str__(self)
10596 def __repr__(self):
10597 r"""__repr__(SurfaceTetheredChain self) -> std::string"""
10598 return _IMP_core.SurfaceTetheredChain___repr__(self)
10602 return _object_cast_to_SurfaceTetheredChain(o)
10606 _IMP_core.SurfaceTetheredChain_swigregister(SurfaceTetheredChain)
10608 r"""Proxy of C++ IMP::core::SurfaceSymmetryConstraint class."""
10610 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10612 def __init__(self, m, ss, rbs):
10613 r"""__init__(SurfaceSymmetryConstraint self, Model m, IMP::ParticleIndexPair const & ss, IMP::ParticleIndexPair const & rbs) -> SurfaceSymmetryConstraint"""
10614 _IMP_core.SurfaceSymmetryConstraint_swiginit(self, _IMP_core.new_SurfaceSymmetryConstraint(m, ss, rbs))
10616 def do_get_inputs(self):
10617 r"""do_get_inputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10618 return _IMP_core.SurfaceSymmetryConstraint_do_get_inputs(self)
10620 def do_get_outputs(self):
10621 r"""do_get_outputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10622 return _IMP_core.SurfaceSymmetryConstraint_do_get_outputs(self)
10624 def get_version_info(self):
10625 r"""get_version_info(SurfaceSymmetryConstraint self) -> VersionInfo"""
10626 return _IMP_core.SurfaceSymmetryConstraint_get_version_info(self)
10627 __swig_destroy__ = _IMP_core.delete_SurfaceSymmetryConstraint
10630 r"""__str__(SurfaceSymmetryConstraint self) -> std::string"""
10631 return _IMP_core.SurfaceSymmetryConstraint___str__(self)
10633 def __repr__(self):
10634 r"""__repr__(SurfaceSymmetryConstraint self) -> std::string"""
10635 return _IMP_core.SurfaceSymmetryConstraint___repr__(self)
10639 return _object_cast_to_SurfaceSymmetryConstraint(o)
10643 _IMP_core.SurfaceSymmetryConstraint_swigregister(SurfaceSymmetryConstraint)
10645 r"""Proxy of C++ IMP::core::SteepestDescent class."""
10647 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10649 def __init__(self, *args):
10650 r"""__init__(SteepestDescent self, Model m, std::string name="SteepestDescent%1%") -> SteepestDescent"""
10651 _IMP_core.SteepestDescent_swiginit(self, _IMP_core.new_SteepestDescent(*args))
10653 def do_optimize(self, max_steps):
10654 r"""do_optimize(SteepestDescent self, unsigned int max_steps) -> IMP::Float"""
10655 return _IMP_core.SteepestDescent_do_optimize(self, max_steps)
10657 def get_version_info(self):
10658 r"""get_version_info(SteepestDescent self) -> VersionInfo"""
10659 return _IMP_core.SteepestDescent_get_version_info(self)
10660 __swig_destroy__ = _IMP_core.delete_SteepestDescent
10662 def set_threshold(self, t):
10663 r"""set_threshold(SteepestDescent self, IMP::Float t)"""
10664 return _IMP_core.SteepestDescent_set_threshold(self, t)
10666 def set_step_size(self, t):
10667 r"""set_step_size(SteepestDescent self, IMP::Float t)"""
10668 return _IMP_core.SteepestDescent_set_step_size(self, t)
10670 def set_maximum_step_size(self, t):
10671 r"""set_maximum_step_size(SteepestDescent self, IMP::Float t)"""
10672 return _IMP_core.SteepestDescent_set_maximum_step_size(self, t)
10675 r"""__str__(SteepestDescent self) -> std::string"""
10676 return _IMP_core.SteepestDescent___str__(self)
10678 def __repr__(self):
10679 r"""__repr__(SteepestDescent self) -> std::string"""
10680 return _IMP_core.SteepestDescent___repr__(self)
10684 return _object_cast_to_SteepestDescent(o)
10688 _IMP_core.SteepestDescent_swigregister(SteepestDescent)
10690 r"""Proxy of C++ IMP::core::TransformedDistancePairScore class."""
10692 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10694 def __init__(self, f, transformation):
10695 r"""__init__(TransformedDistancePairScore self, UnaryFunction f, Transformation3D transformation) -> TransformedDistancePairScore"""
10696 _IMP_core.TransformedDistancePairScore_swiginit(self, _IMP_core.new_TransformedDistancePairScore(f, transformation))
10698 def set_transformation(self, rot):
10699 r"""set_transformation(TransformedDistancePairScore self, Transformation3D rot)"""
10700 return _IMP_core.TransformedDistancePairScore_set_transformation(self, rot)
10702 def do_get_inputs(self, m, pis):
10703 r"""do_get_inputs(TransformedDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10704 return _IMP_core.TransformedDistancePairScore_do_get_inputs(self, m, pis)
10706 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10707 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"""
10708 return _IMP_core.TransformedDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10710 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10711 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"""
10712 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10714 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10715 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"""
10716 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10718 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10719 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"""
10720 return _IMP_core.TransformedDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10722 def get_version_info(self):
10723 r"""get_version_info(TransformedDistancePairScore self) -> VersionInfo"""
10724 return _IMP_core.TransformedDistancePairScore_get_version_info(self)
10725 __swig_destroy__ = _IMP_core.delete_TransformedDistancePairScore
10728 r"""__str__(TransformedDistancePairScore self) -> std::string"""
10729 return _IMP_core.TransformedDistancePairScore___str__(self)
10731 def __repr__(self):
10732 r"""__repr__(TransformedDistancePairScore self) -> std::string"""
10733 return _IMP_core.TransformedDistancePairScore___repr__(self)
10737 return _object_cast_to_TransformedDistancePairScore(o)
10741 _IMP_core.TransformedDistancePairScore_swigregister(TransformedDistancePairScore)
10743 r"""Proxy of C++ IMP::core::TypedPairScore class."""
10745 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10747 def __init__(self, typekey, allow_invalid_types=True):
10748 r"""__init__(TypedPairScore self, IntKey typekey, bool allow_invalid_types=True) -> TypedPairScore"""
10749 _IMP_core.TypedPairScore_swiginit(self, _IMP_core.new_TypedPairScore(typekey, allow_invalid_types))
10751 def set_particle_type(self, arg2):
10752 r"""set_particle_type(TypedPairScore self, Particle arg2)"""
10753 return _IMP_core.TypedPairScore_set_particle_type(self, arg2)
10755 def set_pair_score(self, ps, atype, btype):
10756 r"""set_pair_score(TypedPairScore self, PairScore ps, IMP::Int atype, IMP::Int btype)"""
10757 return _IMP_core.TypedPairScore_set_pair_score(self, ps, atype, btype)
10759 def do_get_inputs(self, m, pis):
10760 r"""do_get_inputs(TypedPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10761 return _IMP_core.TypedPairScore_do_get_inputs(self, m, pis)
10763 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10764 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"""
10765 return _IMP_core.TypedPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10767 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10768 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"""
10769 return _IMP_core.TypedPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10771 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10772 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"""
10773 return _IMP_core.TypedPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10775 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10776 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"""
10777 return _IMP_core.TypedPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10779 def get_version_info(self):
10780 r"""get_version_info(TypedPairScore self) -> VersionInfo"""
10781 return _IMP_core.TypedPairScore_get_version_info(self)
10782 __swig_destroy__ = _IMP_core.delete_TypedPairScore
10785 r"""__str__(TypedPairScore self) -> std::string"""
10786 return _IMP_core.TypedPairScore___str__(self)
10788 def __repr__(self):
10789 r"""__repr__(TypedPairScore self) -> std::string"""
10790 return _IMP_core.TypedPairScore___repr__(self)
10794 return _object_cast_to_TypedPairScore(o)
10798 _IMP_core.TypedPairScore_swigregister(TypedPairScore)
10799 class RigidBodyDistancePairScore(KClosePairsPairScore):
10800 r"""Proxy of C++ IMP::core::RigidBodyDistancePairScore class."""
10802 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10804 def __init__(self, ps, r):
10805 r"""__init__(RigidBodyDistancePairScore self, PairScore ps, Refiner r) -> RigidBodyDistancePairScore"""
10806 _IMP_core.RigidBodyDistancePairScore_swiginit(self, _IMP_core.new_RigidBodyDistancePairScore(ps, r))
10809 r"""__str__(RigidBodyDistancePairScore self) -> std::string"""
10810 return _IMP_core.RigidBodyDistancePairScore___str__(self)
10812 def __repr__(self):
10813 r"""__repr__(RigidBodyDistancePairScore self) -> std::string"""
10814 return _IMP_core.RigidBodyDistancePairScore___repr__(self)
10818 return _object_cast_to_RigidBodyDistancePairScore(o)
10820 __swig_destroy__ = _IMP_core.delete_RigidBodyDistancePairScore
10823 _IMP_core.RigidBodyDistancePairScore_swigregister(RigidBodyDistancePairScore)
10825 r"""Proxy of C++ IMP::core::RigidBodyAnglePairScore class."""
10827 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10829 def __init__(self, f):
10830 r"""__init__(RigidBodyAnglePairScore self, UnaryFunction f) -> RigidBodyAnglePairScore"""
10831 _IMP_core.RigidBodyAnglePairScore_swiginit(self, _IMP_core.new_RigidBodyAnglePairScore(f))
10833 def do_get_inputs(self, m, pis):
10834 r"""do_get_inputs(RigidBodyAnglePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10835 return _IMP_core.RigidBodyAnglePairScore_do_get_inputs(self, m, pis)
10837 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10838 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"""
10839 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10841 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10842 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"""
10843 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10845 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10846 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"""
10847 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10849 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10850 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"""
10851 return _IMP_core.RigidBodyAnglePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10853 def get_version_info(self):
10854 r"""get_version_info(RigidBodyAnglePairScore self) -> VersionInfo"""
10855 return _IMP_core.RigidBodyAnglePairScore_get_version_info(self)
10856 __swig_destroy__ = _IMP_core.delete_RigidBodyAnglePairScore
10859 r"""__str__(RigidBodyAnglePairScore self) -> std::string"""
10860 return _IMP_core.RigidBodyAnglePairScore___str__(self)
10862 def __repr__(self):
10863 r"""__repr__(RigidBodyAnglePairScore self) -> std::string"""
10864 return _IMP_core.RigidBodyAnglePairScore___repr__(self)
10868 return _object_cast_to_RigidBodyAnglePairScore(o)
10872 _IMP_core.RigidBodyAnglePairScore_swigregister(RigidBodyAnglePairScore)
10874 r"""Proxy of C++ IMP::core::TableRefiner class."""
10876 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10878 def __init__(self):
10879 r"""__init__(TableRefiner self) -> TableRefiner"""
10880 _IMP_core.TableRefiner_swiginit(self, _IMP_core.new_TableRefiner())
10883 r"""add_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
10884 return _IMP_core.TableRefiner_add_particle(self, p, ps)
10886 def remove_particle(self, p):
10887 r"""remove_particle(TableRefiner self, Particle p)"""
10888 return _IMP_core.TableRefiner_remove_particle(self, p)
10890 def set_particle(self, p, ps):
10891 r"""set_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
10892 return _IMP_core.TableRefiner_set_particle(self, p, ps)
10894 def do_get_inputs(self, m, pis):
10895 r"""do_get_inputs(TableRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10896 return _IMP_core.TableRefiner_do_get_inputs(self, m, pis)
10898 def get_version_info(self):
10899 r"""get_version_info(TableRefiner self) -> VersionInfo"""
10900 return _IMP_core.TableRefiner_get_version_info(self)
10901 __swig_destroy__ = _IMP_core.delete_TableRefiner
10904 r"""__str__(TableRefiner self) -> std::string"""
10905 return _IMP_core.TableRefiner___str__(self)
10907 def __repr__(self):
10908 r"""__repr__(TableRefiner self) -> std::string"""
10909 return _IMP_core.TableRefiner___repr__(self)
10913 return _object_cast_to_TableRefiner(o)
10917 _IMP_core.TableRefiner_swigregister(TableRefiner)
10918 LOWER = _IMP_core.LOWER
10920 BOTH = _IMP_core.BOTH
10922 UPPER = _IMP_core.UPPER
10925 r"""Proxy of C++ IMP::core::MCCGSampler class."""
10927 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10929 def __init__(self, *args):
10930 r"""__init__(MCCGSampler self, Model m, std::string name="MCCG Sampler %1%") -> MCCGSampler"""
10931 _IMP_core.MCCGSampler_swiginit(self, _IMP_core.new_MCCGSampler(*args))
10933 def set_bounding_box(self, bb):
10934 r"""set_bounding_box(MCCGSampler self, BoundingBox3D bb)"""
10935 return _IMP_core.MCCGSampler_set_bounding_box(self, bb)
10937 def set_number_of_attempts(self, att):
10938 r"""set_number_of_attempts(MCCGSampler self, unsigned int att)"""
10939 return _IMP_core.MCCGSampler_set_number_of_attempts(self, att)
10941 def set_number_of_monte_carlo_steps(self, cg):
10942 r"""set_number_of_monte_carlo_steps(MCCGSampler self, unsigned int cg)"""
10943 return _IMP_core.MCCGSampler_set_number_of_monte_carlo_steps(self, cg)
10945 def set_number_of_conjugate_gradient_steps(self, cg):
10946 r"""set_number_of_conjugate_gradient_steps(MCCGSampler self, unsigned int cg)"""
10947 return _IMP_core.MCCGSampler_set_number_of_conjugate_gradient_steps(self, cg)
10949 def set_max_monte_carlo_step_size(self, *args):
10951 set_max_monte_carlo_step_size(MCCGSampler self, double d)
10952 set_max_monte_carlo_step_size(MCCGSampler self, FloatKey k, double d)
10954 return _IMP_core.MCCGSampler_set_max_monte_carlo_step_size(self, *args)
10956 def set_is_refining(self, tf):
10957 r"""set_is_refining(MCCGSampler self, bool tf)"""
10958 return _IMP_core.MCCGSampler_set_is_refining(self, tf)
10960 def set_local_optimizer(self, opt):
10961 r"""set_local_optimizer(MCCGSampler self, Optimizer opt)"""
10962 return _IMP_core.MCCGSampler_set_local_optimizer(self, opt)
10964 def set_save_rejected_configurations(self, tf):
10965 r"""set_save_rejected_configurations(MCCGSampler self, bool tf)"""
10966 return _IMP_core.MCCGSampler_set_save_rejected_configurations(self, tf)
10968 def get_rejected_configurations(self):
10969 r"""get_rejected_configurations(MCCGSampler self) -> ConfigurationSet"""
10970 return _IMP_core.MCCGSampler_get_rejected_configurations(self)
10971 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)
10972 def __set_optimizer_states(self, obj): IMP._list_util.set_varlist(self.optimizer_states, obj)
10973 def __del_optimizer_states(self): IMP._list_util.del_varlist(self.optimizer_states)
10974 optimizer_states = property(__get_optimizer_states, __set_optimizer_states, __del_optimizer_states, doc=
"List of ##ucnames")
10976 def remove_optimizer_state(self, d):
10977 r"""remove_optimizer_state(MCCGSampler self, OptimizerState d)"""
10978 return _IMP_core.MCCGSampler_remove_optimizer_state(self, d)
10980 def _python_index_optimizer_state(self, d, start, stop):
10981 r"""_python_index_optimizer_state(MCCGSampler self, OptimizerState d, unsigned int start, unsigned int stop) -> unsigned int"""
10982 return _IMP_core.MCCGSampler__python_index_optimizer_state(self, d, start, stop)
10984 def remove_optimizer_states(self, d):
10985 r"""remove_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & d)"""
10986 return _IMP_core.MCCGSampler_remove_optimizer_states(self, d)
10988 def set_optimizer_states(self, ps):
10989 r"""set_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & ps)"""
10990 return _IMP_core.MCCGSampler_set_optimizer_states(self, ps)
10992 def set_optimizer_states_order(self, objs):
10993 r"""set_optimizer_states_order(MCCGSampler self, IMP::OptimizerStates const & objs)"""
10994 return _IMP_core.MCCGSampler_set_optimizer_states_order(self, objs)
10996 def add_optimizer_state(self, obj):
10997 r"""add_optimizer_state(MCCGSampler self, OptimizerState obj) -> unsigned int"""
10998 return _IMP_core.MCCGSampler_add_optimizer_state(self, obj)
11000 def add_optimizer_states(self, objs):
11001 r"""add_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & objs)"""
11002 return _IMP_core.MCCGSampler_add_optimizer_states(self, objs)
11004 def clear_optimizer_states(self):
11005 r"""clear_optimizer_states(MCCGSampler self)"""
11006 return _IMP_core.MCCGSampler_clear_optimizer_states(self)
11008 def get_number_of_optimizer_states(self):
11009 r"""get_number_of_optimizer_states(MCCGSampler self) -> unsigned int"""
11010 return _IMP_core.MCCGSampler_get_number_of_optimizer_states(self)
11012 def get_has_optimizer_states(self):
11013 r"""get_has_optimizer_states(MCCGSampler self) -> bool"""
11014 return _IMP_core.MCCGSampler_get_has_optimizer_states(self)
11016 def get_optimizer_state(self, i):
11017 r"""get_optimizer_state(MCCGSampler self, unsigned int i) -> OptimizerState"""
11018 return _IMP_core.MCCGSampler_get_optimizer_state(self, i)
11020 def get_optimizer_states(self):
11021 r"""get_optimizer_states(MCCGSampler self) -> IMP::OptimizerStates"""
11022 return _IMP_core.MCCGSampler_get_optimizer_states(self)
11024 def erase_optimizer_state(self, i):
11025 r"""erase_optimizer_state(MCCGSampler self, unsigned int i)"""
11026 return _IMP_core.MCCGSampler_erase_optimizer_state(self, i)
11028 def reserve_optimizer_states(self, sz):
11029 r"""reserve_optimizer_states(MCCGSampler self, unsigned int sz)"""
11030 return _IMP_core.MCCGSampler_reserve_optimizer_states(self, sz)
11032 def do_sample(self):
11033 r"""do_sample(MCCGSampler self) -> ConfigurationSet"""
11034 return _IMP_core.MCCGSampler_do_sample(self)
11036 def get_version_info(self):
11037 r"""get_version_info(MCCGSampler self) -> VersionInfo"""
11038 return _IMP_core.MCCGSampler_get_version_info(self)
11039 __swig_destroy__ = _IMP_core.delete_MCCGSampler
11042 r"""__str__(MCCGSampler self) -> std::string"""
11043 return _IMP_core.MCCGSampler___str__(self)
11045 def __repr__(self):
11046 r"""__repr__(MCCGSampler self) -> std::string"""
11047 return _IMP_core.MCCGSampler___repr__(self)
11051 return _object_cast_to_MCCGSampler(o)
11055 _IMP_core.MCCGSampler_swigregister(MCCGSampler)
11057 r"""Proxy of C++ IMP::core::MinimumRestraint class."""
11059 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11061 def __init__(self, *args):
11062 r"""__init__(MinimumRestraint self, unsigned int num, IMP::Restraints const & rs=IMP::Restraints(), std::string name="MinimumRestraint %1%") -> MinimumRestraint"""
11063 _IMP_core.MinimumRestraint_swiginit(self, _IMP_core.new_MinimumRestraint(*args))
11065 def do_get_inputs(self):
11066 r"""do_get_inputs(MinimumRestraint self) -> IMP::ModelObjectsTemp"""
11067 return _IMP_core.MinimumRestraint_do_get_inputs(self)
11069 def get_version_info(self):
11070 r"""get_version_info(MinimumRestraint self) -> VersionInfo"""
11071 return _IMP_core.MinimumRestraint_get_version_info(self)
11072 __swig_destroy__ = _IMP_core.delete_MinimumRestraint
11073 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)
11074 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
11075 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
11076 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##ucnames")
11078 def remove_restraint(self, d):
11079 r"""remove_restraint(MinimumRestraint self, Restraint d)"""
11080 return _IMP_core.MinimumRestraint_remove_restraint(self, d)
11082 def _python_index_restraint(self, d, start, stop):
11083 r"""_python_index_restraint(MinimumRestraint self, Restraint d, unsigned int start, unsigned int stop) -> unsigned int"""
11084 return _IMP_core.MinimumRestraint__python_index_restraint(self, d, start, stop)
11086 def remove_restraints(self, d):
11087 r"""remove_restraints(MinimumRestraint self, IMP::Restraints const & d)"""
11088 return _IMP_core.MinimumRestraint_remove_restraints(self, d)
11090 def set_restraints(self, ps):
11091 r"""set_restraints(MinimumRestraint self, IMP::Restraints const & ps)"""
11092 return _IMP_core.MinimumRestraint_set_restraints(self, ps)
11094 def set_restraints_order(self, objs):
11095 r"""set_restraints_order(MinimumRestraint self, IMP::Restraints const & objs)"""
11096 return _IMP_core.MinimumRestraint_set_restraints_order(self, objs)
11099 r"""add_restraint(MinimumRestraint self, Restraint obj) -> unsigned int"""
11100 return _IMP_core.MinimumRestraint_add_restraint(self, obj)
11103 r"""add_restraints(MinimumRestraint self, IMP::Restraints const & objs)"""
11104 return _IMP_core.MinimumRestraint_add_restraints(self, objs)
11106 def clear_restraints(self):
11107 r"""clear_restraints(MinimumRestraint self)"""
11108 return _IMP_core.MinimumRestraint_clear_restraints(self)
11110 def get_number_of_restraints(self):
11111 r"""get_number_of_restraints(MinimumRestraint self) -> unsigned int"""
11112 return _IMP_core.MinimumRestraint_get_number_of_restraints(self)
11114 def get_has_restraints(self):
11115 r"""get_has_restraints(MinimumRestraint self) -> bool"""
11116 return _IMP_core.MinimumRestraint_get_has_restraints(self)
11118 def get_restraint(self, i):
11119 r"""get_restraint(MinimumRestraint self, unsigned int i) -> Restraint"""
11120 return _IMP_core.MinimumRestraint_get_restraint(self, i)
11122 def get_restraints(self):
11123 r"""get_restraints(MinimumRestraint self) -> IMP::Restraints"""
11124 return _IMP_core.MinimumRestraint_get_restraints(self)
11126 def erase_restraint(self, i):
11127 r"""erase_restraint(MinimumRestraint self, unsigned int i)"""
11128 return _IMP_core.MinimumRestraint_erase_restraint(self, i)
11130 def reserve_restraints(self, sz):
11131 r"""reserve_restraints(MinimumRestraint self, unsigned int sz)"""
11132 return _IMP_core.MinimumRestraint_reserve_restraints(self, sz)
11135 r"""__str__(MinimumRestraint self) -> std::string"""
11136 return _IMP_core.MinimumRestraint___str__(self)
11138 def __repr__(self):
11139 r"""__repr__(MinimumRestraint self) -> std::string"""
11140 return _IMP_core.MinimumRestraint___repr__(self)
11144 return _object_cast_to_MinimumRestraint(o)
11148 _IMP_core.MinimumRestraint_swigregister(MinimumRestraint)
11149 class Gaussian(RigidBody):
11150 r"""Proxy of C++ IMP::core::Gaussian class."""
11152 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11154 def __init__(self, *args):
11156 __init__(Gaussian self) -> Gaussian
11157 __init__(Gaussian self, Model m, ParticleIndex id) -> Gaussian
11158 __init__(Gaussian self, _ParticleAdaptor d) -> Gaussian
11160 _IMP_core.Gaussian_swiginit(self, _IMP_core.new_Gaussian(*args))
11162 def show(self, *args):
11163 r"""show(Gaussian self, _ostream out=std::cout)"""
11164 return _IMP_core.Gaussian_show(self, *args)
11167 def setup_particle(*args):
11169 setup_particle(Model m, ParticleIndex pi) -> Gaussian
11170 setup_particle(_ParticleAdaptor pa) -> Gaussian
11171 setup_particle(Model m, ParticleIndex pi, Gaussian3D g) -> Gaussian
11172 setup_particle(_ParticleAdaptor pa, Gaussian3D g) -> Gaussian
11174 return _IMP_core.Gaussian_setup_particle(*args)
11177 def get_local_covariance_key():
11178 r"""get_local_covariance_key() -> ObjectKey"""
11179 return _IMP_core.Gaussian_get_local_covariance_key()
11182 def get_global_covariance_key():
11183 r"""get_global_covariance_key() -> ObjectKey"""
11184 return _IMP_core.Gaussian_get_global_covariance_key()
11187 def get_is_setup(*args):
11189 get_is_setup(_ParticleAdaptor p) -> bool
11190 get_is_setup(Model m, ParticleIndex pi) -> bool
11192 return _IMP_core.Gaussian_get_is_setup(*args)
11194 def get_local_covariance(self):
11195 r"""get_local_covariance(Gaussian self) -> Eigen::Matrix3d"""
11196 return _IMP_core.Gaussian_get_local_covariance(self)
11198 def get_variances(self):
11199 r"""get_variances(Gaussian self) -> Vector3D"""
11200 return _IMP_core.Gaussian_get_variances(self)
11202 def get_global_covariance(self):
11203 r"""get_global_covariance(Gaussian self) -> Eigen::Matrix3d"""
11204 return _IMP_core.Gaussian_get_global_covariance(self)
11206 def get_gaussian(self):
11207 r"""get_gaussian(Gaussian self) -> Gaussian3D"""
11208 return _IMP_core.Gaussian_get_gaussian(self)
11210 def set_gaussian(self, g):
11211 r"""set_gaussian(Gaussian self, Gaussian3D g)"""
11212 return _IMP_core.Gaussian_set_gaussian(self, g)
11214 def set_local_covariance(self, covar):
11215 r"""set_local_covariance(Gaussian self, Eigen::Vector3d const covar)"""
11216 return _IMP_core.Gaussian_set_local_covariance(self, covar)
11218 def set_variances(self, v):
11219 r"""set_variances(Gaussian self, Vector3D v)"""
11220 return _IMP_core.Gaussian_set_variances(self, v)
11222 def set_global_covariance(self, covar):
11223 r"""set_global_covariance(Gaussian self, Eigen::Matrix3d covar)"""
11224 return _IMP_core.Gaussian_set_global_covariance(self, covar)
11226 def update_global_covariance(self):
11227 r"""update_global_covariance(Gaussian self)"""
11228 return _IMP_core.Gaussian_update_global_covariance(self)
11230 def add_attribute(self, *args):
11232 add_attribute(Gaussian self, FloatKey k, IMP::Float v, bool opt)
11233 add_attribute(Gaussian self, FloatKey a0, IMP::Float a1)
11234 add_attribute(Gaussian self, IntKey a0, IMP::Int a1)
11235 add_attribute(Gaussian self, FloatsKey a0, IMP::Floats a1)
11236 add_attribute(Gaussian self, IntsKey a0, IMP::Ints a1)
11237 add_attribute(Gaussian self, StringKey a0, IMP::String a1)
11238 add_attribute(Gaussian self, ParticleIndexKey a0, Particle a1)
11239 add_attribute(Gaussian self, ObjectKey a0, Object a1)
11240 add_attribute(Gaussian self, SparseFloatKey a0, IMP::Float a1)
11241 add_attribute(Gaussian self, SparseIntKey a0, IMP::Int a1)
11242 add_attribute(Gaussian self, SparseStringKey a0, IMP::String a1)
11243 add_attribute(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
11245 return _IMP_core.Gaussian_add_attribute(self, *args)
11247 def get_value(self, *args):
11249 get_value(Gaussian self, FloatKey a0) -> IMP::Float
11250 get_value(Gaussian self, IntKey a0) -> IMP::Int
11251 get_value(Gaussian self, FloatsKey a0) -> IMP::Floats
11252 get_value(Gaussian self, IntsKey a0) -> IMP::Ints
11253 get_value(Gaussian self, StringKey a0) -> IMP::String
11254 get_value(Gaussian self, ParticleIndexKey a0) -> Particle
11255 get_value(Gaussian self, ObjectKey a0) -> Object
11256 get_value(Gaussian self, SparseFloatKey a0) -> IMP::Float
11257 get_value(Gaussian self, SparseIntKey a0) -> IMP::Int
11258 get_value(Gaussian self, SparseStringKey a0) -> IMP::String
11259 get_value(Gaussian self, SparseParticleIndexKey a0) -> ParticleIndex
11261 return _IMP_core.Gaussian_get_value(self, *args)
11263 def set_value(self, *args):
11265 set_value(Gaussian self, FloatKey a0, IMP::Float a1)
11266 set_value(Gaussian self, IntKey a0, IMP::Int a1)
11267 set_value(Gaussian self, FloatsKey a0, IMP::Floats a1)
11268 set_value(Gaussian self, IntsKey a0, IMP::Ints a1)
11269 set_value(Gaussian self, StringKey a0, IMP::String a1)
11270 set_value(Gaussian self, ParticleIndexKey a0, Particle a1)
11271 set_value(Gaussian self, ObjectKey a0, Object a1)
11272 set_value(Gaussian self, SparseFloatKey a0, IMP::Float a1)
11273 set_value(Gaussian self, SparseIntKey a0, IMP::Int a1)
11274 set_value(Gaussian self, SparseStringKey a0, IMP::String a1)
11275 set_value(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
11277 return _IMP_core.Gaussian_set_value(self, *args)
11279 def remove_attribute(self, *args):
11281 remove_attribute(Gaussian self, FloatKey a0)
11282 remove_attribute(Gaussian self, IntKey a0)
11283 remove_attribute(Gaussian self, FloatsKey a0)
11284 remove_attribute(Gaussian self, IntsKey a0)
11285 remove_attribute(Gaussian self, StringKey a0)
11286 remove_attribute(Gaussian self, ParticleIndexKey a0)
11287 remove_attribute(Gaussian self, ObjectKey a0)
11288 remove_attribute(Gaussian self, SparseFloatKey a0)
11289 remove_attribute(Gaussian self, SparseIntKey a0)
11290 remove_attribute(Gaussian self, SparseStringKey a0)
11291 remove_attribute(Gaussian self, SparseParticleIndexKey a0)
11293 return _IMP_core.Gaussian_remove_attribute(self, *args)
11295 def has_attribute(self, *args):
11297 has_attribute(Gaussian self, FloatKey a0) -> bool
11298 has_attribute(Gaussian self, IntKey a0) -> bool
11299 has_attribute(Gaussian self, FloatsKey a0) -> bool
11300 has_attribute(Gaussian self, IntsKey a0) -> bool
11301 has_attribute(Gaussian self, StringKey a0) -> bool
11302 has_attribute(Gaussian self, ParticleIndexKey a0) -> bool
11303 has_attribute(Gaussian self, ObjectKey a0) -> bool
11304 has_attribute(Gaussian self, SparseFloatKey a0) -> bool
11305 has_attribute(Gaussian self, SparseIntKey a0) -> bool
11306 has_attribute(Gaussian self, SparseStringKey a0) -> bool
11307 has_attribute(Gaussian self, SparseParticleIndexKey a0) -> bool
11309 return _IMP_core.Gaussian_has_attribute(self, *args)
11311 def get_derivative(self, a0):
11312 r"""get_derivative(Gaussian self, FloatKey a0) -> double"""
11313 return _IMP_core.Gaussian_get_derivative(self, a0)
11315 def get_name(self):
11316 r"""get_name(Gaussian self) -> std::string"""
11317 return _IMP_core.Gaussian_get_name(self)
11319 def clear_caches(self):
11320 r"""clear_caches(Gaussian self)"""
11321 return _IMP_core.Gaussian_clear_caches(self)
11323 def set_name(self, a0):
11324 r"""set_name(Gaussian self, std::string a0)"""
11325 return _IMP_core.Gaussian_set_name(self, a0)
11328 r"""set_check_level(Gaussian self, IMP::CheckLevel a0)"""
11329 return _IMP_core.Gaussian_set_check_level(self, a0)
11331 def add_to_derivative(self, a0, a1, a2):
11332 r"""add_to_derivative(Gaussian self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
11333 return _IMP_core.Gaussian_add_to_derivative(self, a0, a1, a2)
11335 def set_is_optimized(self, a0, a1):
11336 r"""set_is_optimized(Gaussian self, FloatKey a0, bool a1)"""
11337 return _IMP_core.Gaussian_set_is_optimized(self, a0, a1)
11339 def get_is_optimized(self, a0):
11340 r"""get_is_optimized(Gaussian self, FloatKey a0) -> bool"""
11341 return _IMP_core.Gaussian_get_is_optimized(self, a0)
11344 r"""get_check_level(Gaussian self) -> IMP::CheckLevel"""
11345 return _IMP_core.Gaussian_get_check_level(self)
11347 def __eq__(self, *args):
11349 __eq__(Gaussian self, Gaussian o) -> bool
11350 __eq__(Gaussian self, Particle d) -> bool
11352 return _IMP_core.Gaussian___eq__(self, *args)
11354 def __ne__(self, *args):
11356 __ne__(Gaussian self, Gaussian o) -> bool
11357 __ne__(Gaussian self, Particle d) -> bool
11359 return _IMP_core.Gaussian___ne__(self, *args)
11361 def __le__(self, *args):
11363 __le__(Gaussian self, Gaussian o) -> bool
11364 __le__(Gaussian self, Particle d) -> bool
11366 return _IMP_core.Gaussian___le__(self, *args)
11368 def __lt__(self, *args):
11370 __lt__(Gaussian self, Gaussian o) -> bool
11371 __lt__(Gaussian self, Particle d) -> bool
11373 return _IMP_core.Gaussian___lt__(self, *args)
11375 def __ge__(self, *args):
11377 __ge__(Gaussian self, Gaussian o) -> bool
11378 __ge__(Gaussian self, Particle d) -> bool
11380 return _IMP_core.Gaussian___ge__(self, *args)
11382 def __gt__(self, *args):
11384 __gt__(Gaussian self, Gaussian o) -> bool
11385 __gt__(Gaussian self, Particle d) -> bool
11387 return _IMP_core.Gaussian___gt__(self, *args)
11389 def __hash__(self):
11390 r"""__hash__(Gaussian self) -> std::size_t"""
11391 return _IMP_core.Gaussian___hash__(self)
11394 r"""__str__(Gaussian self) -> std::string"""
11395 return _IMP_core.Gaussian___str__(self)
11397 def __repr__(self):
11398 r"""__repr__(Gaussian self) -> std::string"""
11399 return _IMP_core.Gaussian___repr__(self)
11401 def _get_as_binary(self):
11402 r"""_get_as_binary(Gaussian self) -> PyObject *"""
11403 return _IMP_core.Gaussian__get_as_binary(self)
11405 def _set_from_binary(self, p):
11406 r"""_set_from_binary(Gaussian self, PyObject * p)"""
11407 return _IMP_core.Gaussian__set_from_binary(self, p)
11409 def __getstate__(self):
11410 p = self._get_as_binary()
11411 if len(self.__dict__) > 1:
11412 d = self.__dict__.copy()
11417 def __setstate__(self, p):
11418 if not hasattr(self,
'this'):
11420 if isinstance(p, tuple):
11422 self.__dict__.update(d)
11423 return self._set_from_binary(p)
11425 __swig_destroy__ = _IMP_core.delete_Gaussian
11428 _IMP_core.Gaussian_swigregister(Gaussian)
11430 r"""Proxy of C++ IMP::core::PairRestraint class."""
11432 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11434 def __init__(self, *args):
11436 __init__(PairRestraint self, Model m, PairScore ss, IMP::ParticleIndexPair const & vt, std::string name="PairRestraint %1%") -> PairRestraint
11437 __init__(PairRestraint self) -> PairRestraint
11439 _IMP_core.PairRestraint_swiginit(self, _IMP_core.new_PairRestraint(*args))
11441 def get_score_object(self):
11442 r"""get_score_object(PairRestraint self) -> PairScore"""
11443 return _IMP_core.PairRestraint_get_score_object(self)
11446 r"""get_index(PairRestraint self) -> IMP::PairScore::IndexArgument"""
11447 return _IMP_core.PairRestraint_get_index(self)
11449 def get_version_info(self):
11450 r"""get_version_info(PairRestraint self) -> VersionInfo"""
11451 return _IMP_core.PairRestraint_get_version_info(self)
11452 __swig_destroy__ = _IMP_core.delete_PairRestraint
11455 r"""__str__(PairRestraint self) -> std::string"""
11456 return _IMP_core.PairRestraint___str__(self)
11458 def __repr__(self):
11459 r"""__repr__(PairRestraint self) -> std::string"""
11460 return _IMP_core.PairRestraint___repr__(self)
11464 return _object_cast_to_PairRestraint(o)
11467 def _get_as_binary(self):
11468 r"""_get_as_binary(PairRestraint self) -> PyObject *"""
11469 return _IMP_core.PairRestraint__get_as_binary(self)
11471 def _set_from_binary(self, p):
11472 r"""_set_from_binary(PairRestraint self, PyObject * p)"""
11473 return _IMP_core.PairRestraint__set_from_binary(self, p)
11475 def __getstate__(self):
11476 p = self._get_as_binary()
11477 if len(self.__dict__) > 1:
11478 d = self.__dict__.copy()
11483 def __setstate__(self, p):
11484 if not hasattr(self,
'this'):
11486 if isinstance(p, tuple):
11488 self.__dict__.update(d)
11489 return self._set_from_binary(p)
11492 def _get_jax(self):
11493 from .
import _jax_util
11494 return _jax_util._get_jax_restraint(self)
11498 _IMP_core.PairRestraint_swigregister(PairRestraint)
11500 r"""Proxy of C++ IMP::core::SingletonRestraint class."""
11502 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11504 def __init__(self, *args):
11506 __init__(SingletonRestraint self, Model m, SingletonScore ss, ParticleIndex vt, std::string name="SingletonRestraint %1%") -> SingletonRestraint
11507 __init__(SingletonRestraint self) -> SingletonRestraint
11509 _IMP_core.SingletonRestraint_swiginit(self, _IMP_core.new_SingletonRestraint(*args))
11511 def get_score_object(self):
11512 r"""get_score_object(SingletonRestraint self) -> SingletonScore"""
11513 return _IMP_core.SingletonRestraint_get_score_object(self)
11516 r"""get_index(SingletonRestraint self) -> ParticleIndex"""
11517 return _IMP_core.SingletonRestraint_get_index(self)
11519 def get_version_info(self):
11520 r"""get_version_info(SingletonRestraint self) -> VersionInfo"""
11521 return _IMP_core.SingletonRestraint_get_version_info(self)
11522 __swig_destroy__ = _IMP_core.delete_SingletonRestraint
11525 r"""__str__(SingletonRestraint self) -> std::string"""
11526 return _IMP_core.SingletonRestraint___str__(self)
11528 def __repr__(self):
11529 r"""__repr__(SingletonRestraint self) -> std::string"""
11530 return _IMP_core.SingletonRestraint___repr__(self)
11534 return _object_cast_to_SingletonRestraint(o)
11537 def _get_as_binary(self):
11538 r"""_get_as_binary(SingletonRestraint self) -> PyObject *"""
11539 return _IMP_core.SingletonRestraint__get_as_binary(self)
11541 def _set_from_binary(self, p):
11542 r"""_set_from_binary(SingletonRestraint self, PyObject * p)"""
11543 return _IMP_core.SingletonRestraint__set_from_binary(self, p)
11545 def __getstate__(self):
11546 p = self._get_as_binary()
11547 if len(self.__dict__) > 1:
11548 d = self.__dict__.copy()
11553 def __setstate__(self, p):
11554 if not hasattr(self,
'this'):
11556 if isinstance(p, tuple):
11558 self.__dict__.update(d)
11559 return self._set_from_binary(p)
11562 def _get_jax(self):
11563 from .
import _jax_util
11564 return _jax_util._get_jax_restraint(self)
11568 _IMP_core.SingletonRestraint_swigregister(SingletonRestraint)
11570 r"""Proxy of C++ IMP::core::TripletRestraint class."""
11572 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11574 def __init__(self, *args):
11576 __init__(TripletRestraint self, Model m, TripletScore ss, IMP::ParticleIndexTriplet const & vt, std::string name="TripletRestraint %1%") -> TripletRestraint
11577 __init__(TripletRestraint self) -> TripletRestraint
11579 _IMP_core.TripletRestraint_swiginit(self, _IMP_core.new_TripletRestraint(*args))
11581 def get_score_object(self):
11582 r"""get_score_object(TripletRestraint self) -> TripletScore"""
11583 return _IMP_core.TripletRestraint_get_score_object(self)
11586 r"""get_index(TripletRestraint self) -> IMP::TripletScore::IndexArgument"""
11587 return _IMP_core.TripletRestraint_get_index(self)
11589 def get_version_info(self):
11590 r"""get_version_info(TripletRestraint self) -> VersionInfo"""
11591 return _IMP_core.TripletRestraint_get_version_info(self)
11592 __swig_destroy__ = _IMP_core.delete_TripletRestraint
11595 r"""__str__(TripletRestraint self) -> std::string"""
11596 return _IMP_core.TripletRestraint___str__(self)
11598 def __repr__(self):
11599 r"""__repr__(TripletRestraint self) -> std::string"""
11600 return _IMP_core.TripletRestraint___repr__(self)
11604 return _object_cast_to_TripletRestraint(o)
11607 def _get_as_binary(self):
11608 r"""_get_as_binary(TripletRestraint self) -> PyObject *"""
11609 return _IMP_core.TripletRestraint__get_as_binary(self)
11611 def _set_from_binary(self, p):
11612 r"""_set_from_binary(TripletRestraint self, PyObject * p)"""
11613 return _IMP_core.TripletRestraint__set_from_binary(self, p)
11615 def __getstate__(self):
11616 p = self._get_as_binary()
11617 if len(self.__dict__) > 1:
11618 d = self.__dict__.copy()
11623 def __setstate__(self, p):
11624 if not hasattr(self,
'this'):
11626 if isinstance(p, tuple):
11628 self.__dict__.update(d)
11629 return self._set_from_binary(p)
11633 _IMP_core.TripletRestraint_swigregister(TripletRestraint)
11635 r"""Proxy of C++ IMP::core::QuadRestraint class."""
11637 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11639 def __init__(self, *args):
11641 __init__(QuadRestraint self, Model m, QuadScore ss, IMP::ParticleIndexQuad const & vt, std::string name="QuadRestraint %1%") -> QuadRestraint
11642 __init__(QuadRestraint self) -> QuadRestraint
11644 _IMP_core.QuadRestraint_swiginit(self, _IMP_core.new_QuadRestraint(*args))
11646 def get_score_object(self):
11647 r"""get_score_object(QuadRestraint self) -> QuadScore"""
11648 return _IMP_core.QuadRestraint_get_score_object(self)
11651 r"""get_index(QuadRestraint self) -> IMP::QuadScore::IndexArgument"""
11652 return _IMP_core.QuadRestraint_get_index(self)
11654 def get_version_info(self):
11655 r"""get_version_info(QuadRestraint self) -> VersionInfo"""
11656 return _IMP_core.QuadRestraint_get_version_info(self)
11657 __swig_destroy__ = _IMP_core.delete_QuadRestraint
11660 r"""__str__(QuadRestraint self) -> std::string"""
11661 return _IMP_core.QuadRestraint___str__(self)
11663 def __repr__(self):
11664 r"""__repr__(QuadRestraint self) -> std::string"""
11665 return _IMP_core.QuadRestraint___repr__(self)
11669 return _object_cast_to_QuadRestraint(o)
11672 def _get_as_binary(self):
11673 r"""_get_as_binary(QuadRestraint self) -> PyObject *"""
11674 return _IMP_core.QuadRestraint__get_as_binary(self)
11676 def _set_from_binary(self, p):
11677 r"""_set_from_binary(QuadRestraint self, PyObject * p)"""
11678 return _IMP_core.QuadRestraint__set_from_binary(self, p)
11680 def __getstate__(self):
11681 p = self._get_as_binary()
11682 if len(self.__dict__) > 1:
11683 d = self.__dict__.copy()
11688 def __setstate__(self, p):
11689 if not hasattr(self,
'this'):
11691 if isinstance(p, tuple):
11693 self.__dict__.update(d)
11694 return self._set_from_binary(p)
11698 _IMP_core.QuadRestraint_swigregister(QuadRestraint)
11700 r"""Proxy of C++ IMP::core::SingletonConstraint class."""
11702 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11704 def __init__(self, *args):
11706 __init__(SingletonConstraint self, SingletonModifier before, SingletonModifier after, Model m, ParticleIndex vt, std::string name="SingletonConstraint %1%", bool can_skip=False) -> SingletonConstraint
11707 __init__(SingletonConstraint self) -> SingletonConstraint
11709 _IMP_core.SingletonConstraint_swiginit(self, _IMP_core.new_SingletonConstraint(*args))
11711 def get_before_modifier(self):
11712 r"""get_before_modifier(SingletonConstraint self) -> SingletonModifier"""
11713 return _IMP_core.SingletonConstraint_get_before_modifier(self)
11716 r"""get_index(SingletonConstraint self) -> ParticleIndex"""
11717 return _IMP_core.SingletonConstraint_get_index(self)
11719 def get_version_info(self):
11720 r"""get_version_info(SingletonConstraint self) -> VersionInfo"""
11721 return _IMP_core.SingletonConstraint_get_version_info(self)
11722 __swig_destroy__ = _IMP_core.delete_SingletonConstraint
11725 r"""__str__(SingletonConstraint self) -> std::string"""
11726 return _IMP_core.SingletonConstraint___str__(self)
11728 def __repr__(self):
11729 r"""__repr__(SingletonConstraint self) -> std::string"""
11730 return _IMP_core.SingletonConstraint___repr__(self)
11734 return _object_cast_to_SingletonConstraint(o)
11737 def _get_as_binary(self):
11738 r"""_get_as_binary(SingletonConstraint self) -> PyObject *"""
11739 return _IMP_core.SingletonConstraint__get_as_binary(self)
11741 def _set_from_binary(self, p):
11742 r"""_set_from_binary(SingletonConstraint self, PyObject * p)"""
11743 return _IMP_core.SingletonConstraint__set_from_binary(self, p)
11745 def __getstate__(self):
11746 p = self._get_as_binary()
11747 if len(self.__dict__) > 1:
11748 d = self.__dict__.copy()
11753 def __setstate__(self, p):
11754 if not hasattr(self,
'this'):
11756 if isinstance(p, tuple):
11758 self.__dict__.update(d)
11759 return self._set_from_binary(p)
11762 def _get_jax(self):
11763 import jax.numpy
as jnp
11764 indexes = jnp.array([self.get_index()])
11765 mod = self.get_before_modifier().get_derived_object()
11766 ji = mod._get_jax(self.get_model(), indexes)
11767 return self._wrap_jax(ji.apply_func, keys=ji._keys)
11771 _IMP_core.SingletonConstraint_swigregister(SingletonConstraint)
11773 r"""Proxy of C++ IMP::core::PairConstraint class."""
11775 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11777 def __init__(self, *args):
11779 __init__(PairConstraint self, PairModifier before, PairModifier after, Model m, IMP::ParticleIndexPair const & vt, std::string name="PairConstraint %1%", bool can_skip=False) -> PairConstraint
11780 __init__(PairConstraint self) -> PairConstraint
11782 _IMP_core.PairConstraint_swiginit(self, _IMP_core.new_PairConstraint(*args))
11784 def get_before_modifier(self):
11785 r"""get_before_modifier(PairConstraint self) -> PairModifier"""
11786 return _IMP_core.PairConstraint_get_before_modifier(self)
11789 r"""get_index(PairConstraint self) -> IMP::PairModifier::IndexArgument"""
11790 return _IMP_core.PairConstraint_get_index(self)
11792 def get_version_info(self):
11793 r"""get_version_info(PairConstraint self) -> VersionInfo"""
11794 return _IMP_core.PairConstraint_get_version_info(self)
11795 __swig_destroy__ = _IMP_core.delete_PairConstraint
11798 r"""__str__(PairConstraint self) -> std::string"""
11799 return _IMP_core.PairConstraint___str__(self)
11801 def __repr__(self):
11802 r"""__repr__(PairConstraint self) -> std::string"""
11803 return _IMP_core.PairConstraint___repr__(self)
11807 return _object_cast_to_PairConstraint(o)
11810 def _get_as_binary(self):
11811 r"""_get_as_binary(PairConstraint self) -> PyObject *"""
11812 return _IMP_core.PairConstraint__get_as_binary(self)
11814 def _set_from_binary(self, p):
11815 r"""_set_from_binary(PairConstraint self, PyObject * p)"""
11816 return _IMP_core.PairConstraint__set_from_binary(self, p)
11818 def __getstate__(self):
11819 p = self._get_as_binary()
11820 if len(self.__dict__) > 1:
11821 d = self.__dict__.copy()
11826 def __setstate__(self, p):
11827 if not hasattr(self,
'this'):
11829 if isinstance(p, tuple):
11831 self.__dict__.update(d)
11832 return self._set_from_binary(p)
11836 _IMP_core.PairConstraint_swigregister(PairConstraint)
11838 r"""Proxy of C++ IMP::core::TripletConstraint class."""
11840 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11842 def __init__(self, *args):
11844 __init__(TripletConstraint self, TripletModifier before, TripletModifier after, Model m, IMP::ParticleIndexTriplet const & vt, std::string name="TripletConstraint %1%", bool can_skip=False) -> TripletConstraint
11845 __init__(TripletConstraint self) -> TripletConstraint
11847 _IMP_core.TripletConstraint_swiginit(self, _IMP_core.new_TripletConstraint(*args))
11849 def get_before_modifier(self):
11850 r"""get_before_modifier(TripletConstraint self) -> TripletModifier"""
11851 return _IMP_core.TripletConstraint_get_before_modifier(self)
11854 r"""get_index(TripletConstraint self) -> IMP::TripletModifier::IndexArgument"""
11855 return _IMP_core.TripletConstraint_get_index(self)
11857 def get_version_info(self):
11858 r"""get_version_info(TripletConstraint self) -> VersionInfo"""
11859 return _IMP_core.TripletConstraint_get_version_info(self)
11860 __swig_destroy__ = _IMP_core.delete_TripletConstraint
11863 r"""__str__(TripletConstraint self) -> std::string"""
11864 return _IMP_core.TripletConstraint___str__(self)
11866 def __repr__(self):
11867 r"""__repr__(TripletConstraint self) -> std::string"""
11868 return _IMP_core.TripletConstraint___repr__(self)
11872 return _object_cast_to_TripletConstraint(o)
11875 def _get_as_binary(self):
11876 r"""_get_as_binary(TripletConstraint self) -> PyObject *"""
11877 return _IMP_core.TripletConstraint__get_as_binary(self)
11879 def _set_from_binary(self, p):
11880 r"""_set_from_binary(TripletConstraint self, PyObject * p)"""
11881 return _IMP_core.TripletConstraint__set_from_binary(self, p)
11883 def __getstate__(self):
11884 p = self._get_as_binary()
11885 if len(self.__dict__) > 1:
11886 d = self.__dict__.copy()
11891 def __setstate__(self, p):
11892 if not hasattr(self,
'this'):
11894 if isinstance(p, tuple):
11896 self.__dict__.update(d)
11897 return self._set_from_binary(p)
11901 _IMP_core.TripletConstraint_swigregister(TripletConstraint)
11903 r"""Proxy of C++ IMP::core::QuadConstraint class."""
11905 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11907 def __init__(self, *args):
11909 __init__(QuadConstraint self, QuadModifier before, QuadModifier after, Model m, IMP::ParticleIndexQuad const & vt, std::string name="QuadConstraint %1%", bool can_skip=False) -> QuadConstraint
11910 __init__(QuadConstraint self) -> QuadConstraint
11912 _IMP_core.QuadConstraint_swiginit(self, _IMP_core.new_QuadConstraint(*args))
11914 def get_before_modifier(self):
11915 r"""get_before_modifier(QuadConstraint self) -> QuadModifier"""
11916 return _IMP_core.QuadConstraint_get_before_modifier(self)
11919 r"""get_index(QuadConstraint self) -> IMP::QuadModifier::IndexArgument"""
11920 return _IMP_core.QuadConstraint_get_index(self)
11922 def get_version_info(self):
11923 r"""get_version_info(QuadConstraint self) -> VersionInfo"""
11924 return _IMP_core.QuadConstraint_get_version_info(self)
11925 __swig_destroy__ = _IMP_core.delete_QuadConstraint
11928 r"""__str__(QuadConstraint self) -> std::string"""
11929 return _IMP_core.QuadConstraint___str__(self)
11931 def __repr__(self):
11932 r"""__repr__(QuadConstraint self) -> std::string"""
11933 return _IMP_core.QuadConstraint___repr__(self)
11937 return _object_cast_to_QuadConstraint(o)
11940 def _get_as_binary(self):
11941 r"""_get_as_binary(QuadConstraint self) -> PyObject *"""
11942 return _IMP_core.QuadConstraint__get_as_binary(self)
11944 def _set_from_binary(self, p):
11945 r"""_set_from_binary(QuadConstraint self, PyObject * p)"""
11946 return _IMP_core.QuadConstraint__set_from_binary(self, p)
11948 def __getstate__(self):
11949 p = self._get_as_binary()
11950 if len(self.__dict__) > 1:
11951 d = self.__dict__.copy()
11956 def __setstate__(self, p):
11957 if not hasattr(self,
'this'):
11959 if isinstance(p, tuple):
11961 self.__dict__.update(d)
11962 return self._set_from_binary(p)
11966 _IMP_core.QuadConstraint_swigregister(QuadConstraint)
11968 r"""Proxy of C++ IMP::core::ConstantSingletonPredicate class."""
11970 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11972 def __init__(self, *args):
11974 __init__(ConstantSingletonPredicate self, int v, std::string name="ConstSingletonPredicate%1%") -> ConstantSingletonPredicate
11975 __init__(ConstantSingletonPredicate self) -> ConstantSingletonPredicate
11977 _IMP_core.ConstantSingletonPredicate_swiginit(self, _IMP_core.new_ConstantSingletonPredicate(*args))
11979 def do_get_inputs(self, arg2, arg3):
11980 r"""do_get_inputs(ConstantSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
11981 return _IMP_core.ConstantSingletonPredicate_do_get_inputs(self, arg2, arg3)
11983 def get_value(self, *args):
11985 get_value(ConstantSingletonPredicate self, Particle a) -> int
11986 get_value(ConstantSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
11988 return _IMP_core.ConstantSingletonPredicate_get_value(self, *args)
11990 def get_value_index(self, *args):
11992 get_value_index(ConstantSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
11993 get_value_index(ConstantSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
11995 return _IMP_core.ConstantSingletonPredicate_get_value_index(self, *args)
11997 def get_version_info(self):
11998 r"""get_version_info(ConstantSingletonPredicate self) -> VersionInfo"""
11999 return _IMP_core.ConstantSingletonPredicate_get_version_info(self)
12000 __swig_destroy__ = _IMP_core.delete_ConstantSingletonPredicate
12003 r"""__str__(ConstantSingletonPredicate self) -> std::string"""
12004 return _IMP_core.ConstantSingletonPredicate___str__(self)
12006 def __repr__(self):
12007 r"""__repr__(ConstantSingletonPredicate self) -> std::string"""
12008 return _IMP_core.ConstantSingletonPredicate___repr__(self)
12012 return _object_cast_to_ConstantSingletonPredicate(o)
12015 def _get_as_binary(self):
12016 r"""_get_as_binary(ConstantSingletonPredicate self) -> PyObject *"""
12017 return _IMP_core.ConstantSingletonPredicate__get_as_binary(self)
12019 def _set_from_binary(self, p):
12020 r"""_set_from_binary(ConstantSingletonPredicate self, PyObject * p)"""
12021 return _IMP_core.ConstantSingletonPredicate__set_from_binary(self, p)
12023 def __getstate__(self):
12024 p = self._get_as_binary()
12025 if len(self.__dict__) > 1:
12026 d = self.__dict__.copy()
12031 def __setstate__(self, p):
12032 if not hasattr(self,
'this'):
12034 if isinstance(p, tuple):
12036 self.__dict__.update(d)
12037 return self._set_from_binary(p)
12041 _IMP_core.ConstantSingletonPredicate_swigregister(ConstantSingletonPredicate)
12043 r"""Proxy of C++ IMP::core::UnorderedTypeSingletonPredicate class."""
12045 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12047 def __init__(self, *args):
12048 r"""__init__(UnorderedTypeSingletonPredicate self, std::string name="UnorderedTypeSingletonPredicate%1%") -> UnorderedTypeSingletonPredicate"""
12049 _IMP_core.UnorderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_UnorderedTypeSingletonPredicate(*args))
12051 def do_get_inputs(self, m, pis):
12052 r"""do_get_inputs(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12053 return _IMP_core.UnorderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
12055 def get_value(self, *args):
12057 get_value(UnorderedTypeSingletonPredicate self, Particle a) -> int
12058 get_value(UnorderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12060 return _IMP_core.UnorderedTypeSingletonPredicate_get_value(self, *args)
12062 def get_value_index(self, *args):
12064 get_value_index(UnorderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
12065 get_value_index(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12067 return _IMP_core.UnorderedTypeSingletonPredicate_get_value_index(self, *args)
12069 def get_version_info(self):
12070 r"""get_version_info(UnorderedTypeSingletonPredicate self) -> VersionInfo"""
12071 return _IMP_core.UnorderedTypeSingletonPredicate_get_version_info(self)
12072 __swig_destroy__ = _IMP_core.delete_UnorderedTypeSingletonPredicate
12075 r"""__str__(UnorderedTypeSingletonPredicate self) -> std::string"""
12076 return _IMP_core.UnorderedTypeSingletonPredicate___str__(self)
12078 def __repr__(self):
12079 r"""__repr__(UnorderedTypeSingletonPredicate self) -> std::string"""
12080 return _IMP_core.UnorderedTypeSingletonPredicate___repr__(self)
12084 return _object_cast_to_UnorderedTypeSingletonPredicate(o)
12087 def _get_as_binary(self):
12088 r"""_get_as_binary(UnorderedTypeSingletonPredicate self) -> PyObject *"""
12089 return _IMP_core.UnorderedTypeSingletonPredicate__get_as_binary(self)
12091 def _set_from_binary(self, p):
12092 r"""_set_from_binary(UnorderedTypeSingletonPredicate self, PyObject * p)"""
12093 return _IMP_core.UnorderedTypeSingletonPredicate__set_from_binary(self, p)
12095 def __getstate__(self):
12096 p = self._get_as_binary()
12097 if len(self.__dict__) > 1:
12098 d = self.__dict__.copy()
12103 def __setstate__(self, p):
12104 if not hasattr(self,
'this'):
12106 if isinstance(p, tuple):
12108 self.__dict__.update(d)
12109 return self._set_from_binary(p)
12113 _IMP_core.UnorderedTypeSingletonPredicate_swigregister(UnorderedTypeSingletonPredicate)
12115 r"""Proxy of C++ IMP::core::OrderedTypeSingletonPredicate class."""
12117 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12119 def __init__(self, *args):
12120 r"""__init__(OrderedTypeSingletonPredicate self, std::string name="OrderedTypeSingletonPredicate%1%") -> OrderedTypeSingletonPredicate"""
12121 _IMP_core.OrderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_OrderedTypeSingletonPredicate(*args))
12123 def do_get_inputs(self, m, pis):
12124 r"""do_get_inputs(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12125 return _IMP_core.OrderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
12127 def get_value(self, *args):
12129 get_value(OrderedTypeSingletonPredicate self, IMP::core::ParticleTypes const & types) -> int
12130 get_value(OrderedTypeSingletonPredicate self, Particle a) -> int
12131 get_value(OrderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12133 return _IMP_core.OrderedTypeSingletonPredicate_get_value(self, *args)
12135 def get_value_index(self, *args):
12137 get_value_index(OrderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
12138 get_value_index(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12140 return _IMP_core.OrderedTypeSingletonPredicate_get_value_index(self, *args)
12142 def get_version_info(self):
12143 r"""get_version_info(OrderedTypeSingletonPredicate self) -> VersionInfo"""
12144 return _IMP_core.OrderedTypeSingletonPredicate_get_version_info(self)
12145 __swig_destroy__ = _IMP_core.delete_OrderedTypeSingletonPredicate
12148 r"""__str__(OrderedTypeSingletonPredicate self) -> std::string"""
12149 return _IMP_core.OrderedTypeSingletonPredicate___str__(self)
12151 def __repr__(self):
12152 r"""__repr__(OrderedTypeSingletonPredicate self) -> std::string"""
12153 return _IMP_core.OrderedTypeSingletonPredicate___repr__(self)
12157 return _object_cast_to_OrderedTypeSingletonPredicate(o)
12161 _IMP_core.OrderedTypeSingletonPredicate_swigregister(OrderedTypeSingletonPredicate)
12163 r"""Proxy of C++ IMP::core::AllSameSingletonPredicate class."""
12165 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12167 def __init__(self, *args):
12168 r"""__init__(AllSameSingletonPredicate self, std::string name="AllSameSingletonPredicate%1%") -> AllSameSingletonPredicate"""
12169 _IMP_core.AllSameSingletonPredicate_swiginit(self, _IMP_core.new_AllSameSingletonPredicate(*args))
12171 def do_get_inputs(self, arg2, arg3):
12172 r"""do_get_inputs(AllSameSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12173 return _IMP_core.AllSameSingletonPredicate_do_get_inputs(self, arg2, arg3)
12175 def get_value(self, *args):
12177 get_value(AllSameSingletonPredicate self, Particle a) -> int
12178 get_value(AllSameSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12180 return _IMP_core.AllSameSingletonPredicate_get_value(self, *args)
12182 def get_value_index(self, *args):
12184 get_value_index(AllSameSingletonPredicate self, Model m, ParticleIndex pi) -> int
12185 get_value_index(AllSameSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12187 return _IMP_core.AllSameSingletonPredicate_get_value_index(self, *args)
12189 def get_version_info(self):
12190 r"""get_version_info(AllSameSingletonPredicate self) -> VersionInfo"""
12191 return _IMP_core.AllSameSingletonPredicate_get_version_info(self)
12192 __swig_destroy__ = _IMP_core.delete_AllSameSingletonPredicate
12195 r"""__str__(AllSameSingletonPredicate self) -> std::string"""
12196 return _IMP_core.AllSameSingletonPredicate___str__(self)
12198 def __repr__(self):
12199 r"""__repr__(AllSameSingletonPredicate self) -> std::string"""
12200 return _IMP_core.AllSameSingletonPredicate___repr__(self)
12204 return _object_cast_to_AllSameSingletonPredicate(o)
12207 def _get_as_binary(self):
12208 r"""_get_as_binary(AllSameSingletonPredicate self) -> PyObject *"""
12209 return _IMP_core.AllSameSingletonPredicate__get_as_binary(self)
12211 def _set_from_binary(self, p):
12212 r"""_set_from_binary(AllSameSingletonPredicate self, PyObject * p)"""
12213 return _IMP_core.AllSameSingletonPredicate__set_from_binary(self, p)
12215 def __getstate__(self):
12216 p = self._get_as_binary()
12217 if len(self.__dict__) > 1:
12218 d = self.__dict__.copy()
12223 def __setstate__(self, p):
12224 if not hasattr(self,
'this'):
12226 if isinstance(p, tuple):
12228 self.__dict__.update(d)
12229 return self._set_from_binary(p)
12233 _IMP_core.AllSameSingletonPredicate_swigregister(AllSameSingletonPredicate)
12235 r"""Proxy of C++ IMP::core::CoinFlipSingletonPredicate class."""
12237 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12239 def __init__(self, *args):
12240 r"""__init__(CoinFlipSingletonPredicate self, double p, std::string name="CoinFlipSingletonPredicate%1%") -> CoinFlipSingletonPredicate"""
12241 _IMP_core.CoinFlipSingletonPredicate_swiginit(self, _IMP_core.new_CoinFlipSingletonPredicate(*args))
12243 def do_get_inputs(self, arg2, arg3):
12244 r"""do_get_inputs(CoinFlipSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12245 return _IMP_core.CoinFlipSingletonPredicate_do_get_inputs(self, arg2, arg3)
12247 def get_value(self, *args):
12249 get_value(CoinFlipSingletonPredicate self, Particle a) -> int
12250 get_value(CoinFlipSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12252 return _IMP_core.CoinFlipSingletonPredicate_get_value(self, *args)
12254 def get_value_index(self, *args):
12256 get_value_index(CoinFlipSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
12257 get_value_index(CoinFlipSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12259 return _IMP_core.CoinFlipSingletonPredicate_get_value_index(self, *args)
12261 def get_version_info(self):
12262 r"""get_version_info(CoinFlipSingletonPredicate self) -> VersionInfo"""
12263 return _IMP_core.CoinFlipSingletonPredicate_get_version_info(self)
12264 __swig_destroy__ = _IMP_core.delete_CoinFlipSingletonPredicate
12267 r"""__str__(CoinFlipSingletonPredicate self) -> std::string"""
12268 return _IMP_core.CoinFlipSingletonPredicate___str__(self)
12270 def __repr__(self):
12271 r"""__repr__(CoinFlipSingletonPredicate self) -> std::string"""
12272 return _IMP_core.CoinFlipSingletonPredicate___repr__(self)
12276 return _object_cast_to_CoinFlipSingletonPredicate(o)
12280 _IMP_core.CoinFlipSingletonPredicate_swigregister(CoinFlipSingletonPredicate)
12282 r"""Proxy of C++ IMP::core::ConstantPairPredicate class."""
12284 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12286 def __init__(self, *args):
12288 __init__(ConstantPairPredicate self, int v, std::string name="ConstPairPredicate%1%") -> ConstantPairPredicate
12289 __init__(ConstantPairPredicate self) -> ConstantPairPredicate
12291 _IMP_core.ConstantPairPredicate_swiginit(self, _IMP_core.new_ConstantPairPredicate(*args))
12293 def do_get_inputs(self, arg2, arg3):
12294 r"""do_get_inputs(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12295 return _IMP_core.ConstantPairPredicate_do_get_inputs(self, arg2, arg3)
12297 def get_value(self, *args):
12299 get_value(ConstantPairPredicate self, IMP::ParticlePair const & a) -> int
12300 get_value(ConstantPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12302 return _IMP_core.ConstantPairPredicate_get_value(self, *args)
12304 def get_value_index(self, *args):
12306 get_value_index(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
12307 get_value_index(ConstantPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12309 return _IMP_core.ConstantPairPredicate_get_value_index(self, *args)
12311 def get_version_info(self):
12312 r"""get_version_info(ConstantPairPredicate self) -> VersionInfo"""
12313 return _IMP_core.ConstantPairPredicate_get_version_info(self)
12314 __swig_destroy__ = _IMP_core.delete_ConstantPairPredicate
12317 r"""__str__(ConstantPairPredicate self) -> std::string"""
12318 return _IMP_core.ConstantPairPredicate___str__(self)
12320 def __repr__(self):
12321 r"""__repr__(ConstantPairPredicate self) -> std::string"""
12322 return _IMP_core.ConstantPairPredicate___repr__(self)
12326 return _object_cast_to_ConstantPairPredicate(o)
12329 def _get_as_binary(self):
12330 r"""_get_as_binary(ConstantPairPredicate self) -> PyObject *"""
12331 return _IMP_core.ConstantPairPredicate__get_as_binary(self)
12333 def _set_from_binary(self, p):
12334 r"""_set_from_binary(ConstantPairPredicate self, PyObject * p)"""
12335 return _IMP_core.ConstantPairPredicate__set_from_binary(self, p)
12337 def __getstate__(self):
12338 p = self._get_as_binary()
12339 if len(self.__dict__) > 1:
12340 d = self.__dict__.copy()
12345 def __setstate__(self, p):
12346 if not hasattr(self,
'this'):
12348 if isinstance(p, tuple):
12350 self.__dict__.update(d)
12351 return self._set_from_binary(p)
12355 _IMP_core.ConstantPairPredicate_swigregister(ConstantPairPredicate)
12357 r"""Proxy of C++ IMP::core::UnorderedTypePairPredicate class."""
12359 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12361 def __init__(self, *args):
12362 r"""__init__(UnorderedTypePairPredicate self, std::string name="UnorderedTypePairPredicate%1%") -> UnorderedTypePairPredicate"""
12363 _IMP_core.UnorderedTypePairPredicate_swiginit(self, _IMP_core.new_UnorderedTypePairPredicate(*args))
12365 def do_get_inputs(self, m, pis):
12366 r"""do_get_inputs(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12367 return _IMP_core.UnorderedTypePairPredicate_do_get_inputs(self, m, pis)
12369 def get_value(self, *args):
12371 get_value(UnorderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12372 get_value(UnorderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12374 return _IMP_core.UnorderedTypePairPredicate_get_value(self, *args)
12376 def get_value_index(self, *args):
12378 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12379 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12381 return _IMP_core.UnorderedTypePairPredicate_get_value_index(self, *args)
12383 def get_version_info(self):
12384 r"""get_version_info(UnorderedTypePairPredicate self) -> VersionInfo"""
12385 return _IMP_core.UnorderedTypePairPredicate_get_version_info(self)
12386 __swig_destroy__ = _IMP_core.delete_UnorderedTypePairPredicate
12389 r"""__str__(UnorderedTypePairPredicate self) -> std::string"""
12390 return _IMP_core.UnorderedTypePairPredicate___str__(self)
12392 def __repr__(self):
12393 r"""__repr__(UnorderedTypePairPredicate self) -> std::string"""
12394 return _IMP_core.UnorderedTypePairPredicate___repr__(self)
12398 return _object_cast_to_UnorderedTypePairPredicate(o)
12401 def _get_as_binary(self):
12402 r"""_get_as_binary(UnorderedTypePairPredicate self) -> PyObject *"""
12403 return _IMP_core.UnorderedTypePairPredicate__get_as_binary(self)
12405 def _set_from_binary(self, p):
12406 r"""_set_from_binary(UnorderedTypePairPredicate self, PyObject * p)"""
12407 return _IMP_core.UnorderedTypePairPredicate__set_from_binary(self, p)
12409 def __getstate__(self):
12410 p = self._get_as_binary()
12411 if len(self.__dict__) > 1:
12412 d = self.__dict__.copy()
12417 def __setstate__(self, p):
12418 if not hasattr(self,
'this'):
12420 if isinstance(p, tuple):
12422 self.__dict__.update(d)
12423 return self._set_from_binary(p)
12427 _IMP_core.UnorderedTypePairPredicate_swigregister(UnorderedTypePairPredicate)
12429 r"""Proxy of C++ IMP::core::OrderedTypePairPredicate class."""
12431 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12433 def __init__(self, *args):
12434 r"""__init__(OrderedTypePairPredicate self, std::string name="OrderedTypePairPredicate%1%") -> OrderedTypePairPredicate"""
12435 _IMP_core.OrderedTypePairPredicate_swiginit(self, _IMP_core.new_OrderedTypePairPredicate(*args))
12437 def do_get_inputs(self, m, pis):
12438 r"""do_get_inputs(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12439 return _IMP_core.OrderedTypePairPredicate_do_get_inputs(self, m, pis)
12441 def get_value(self, *args):
12443 get_value(OrderedTypePairPredicate self, IMP::core::ParticleTypes const & types) -> int
12444 get_value(OrderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12445 get_value(OrderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12447 return _IMP_core.OrderedTypePairPredicate_get_value(self, *args)
12449 def get_value_index(self, *args):
12451 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12452 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12454 return _IMP_core.OrderedTypePairPredicate_get_value_index(self, *args)
12456 def get_version_info(self):
12457 r"""get_version_info(OrderedTypePairPredicate self) -> VersionInfo"""
12458 return _IMP_core.OrderedTypePairPredicate_get_version_info(self)
12459 __swig_destroy__ = _IMP_core.delete_OrderedTypePairPredicate
12462 r"""__str__(OrderedTypePairPredicate self) -> std::string"""
12463 return _IMP_core.OrderedTypePairPredicate___str__(self)
12465 def __repr__(self):
12466 r"""__repr__(OrderedTypePairPredicate self) -> std::string"""
12467 return _IMP_core.OrderedTypePairPredicate___repr__(self)
12471 return _object_cast_to_OrderedTypePairPredicate(o)
12475 _IMP_core.OrderedTypePairPredicate_swigregister(OrderedTypePairPredicate)
12477 r"""Proxy of C++ IMP::core::AllSamePairPredicate class."""
12479 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12481 def __init__(self, *args):
12482 r"""__init__(AllSamePairPredicate self, std::string name="AllSamePairPredicate%1%") -> AllSamePairPredicate"""
12483 _IMP_core.AllSamePairPredicate_swiginit(self, _IMP_core.new_AllSamePairPredicate(*args))
12485 def do_get_inputs(self, arg2, arg3):
12486 r"""do_get_inputs(AllSamePairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12487 return _IMP_core.AllSamePairPredicate_do_get_inputs(self, arg2, arg3)
12489 def get_value(self, *args):
12491 get_value(AllSamePairPredicate self, IMP::ParticlePair const & a) -> int
12492 get_value(AllSamePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12494 return _IMP_core.AllSamePairPredicate_get_value(self, *args)
12496 def get_value_index(self, *args):
12498 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12499 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12501 return _IMP_core.AllSamePairPredicate_get_value_index(self, *args)
12503 def get_version_info(self):
12504 r"""get_version_info(AllSamePairPredicate self) -> VersionInfo"""
12505 return _IMP_core.AllSamePairPredicate_get_version_info(self)
12506 __swig_destroy__ = _IMP_core.delete_AllSamePairPredicate
12509 r"""__str__(AllSamePairPredicate self) -> std::string"""
12510 return _IMP_core.AllSamePairPredicate___str__(self)
12512 def __repr__(self):
12513 r"""__repr__(AllSamePairPredicate self) -> std::string"""
12514 return _IMP_core.AllSamePairPredicate___repr__(self)
12518 return _object_cast_to_AllSamePairPredicate(o)
12521 def _get_as_binary(self):
12522 r"""_get_as_binary(AllSamePairPredicate self) -> PyObject *"""
12523 return _IMP_core.AllSamePairPredicate__get_as_binary(self)
12525 def _set_from_binary(self, p):
12526 r"""_set_from_binary(AllSamePairPredicate self, PyObject * p)"""
12527 return _IMP_core.AllSamePairPredicate__set_from_binary(self, p)
12529 def __getstate__(self):
12530 p = self._get_as_binary()
12531 if len(self.__dict__) > 1:
12532 d = self.__dict__.copy()
12537 def __setstate__(self, p):
12538 if not hasattr(self,
'this'):
12540 if isinstance(p, tuple):
12542 self.__dict__.update(d)
12543 return self._set_from_binary(p)
12547 _IMP_core.AllSamePairPredicate_swigregister(AllSamePairPredicate)
12549 r"""Proxy of C++ IMP::core::CoinFlipPairPredicate class."""
12551 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12553 def __init__(self, *args):
12554 r"""__init__(CoinFlipPairPredicate self, double p, std::string name="CoinFlipPairPredicate%1%") -> CoinFlipPairPredicate"""
12555 _IMP_core.CoinFlipPairPredicate_swiginit(self, _IMP_core.new_CoinFlipPairPredicate(*args))
12557 def do_get_inputs(self, arg2, arg3):
12558 r"""do_get_inputs(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12559 return _IMP_core.CoinFlipPairPredicate_do_get_inputs(self, arg2, arg3)
12561 def get_value(self, *args):
12563 get_value(CoinFlipPairPredicate self, IMP::ParticlePair const & a) -> int
12564 get_value(CoinFlipPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12566 return _IMP_core.CoinFlipPairPredicate_get_value(self, *args)
12568 def get_value_index(self, *args):
12570 get_value_index(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
12571 get_value_index(CoinFlipPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12573 return _IMP_core.CoinFlipPairPredicate_get_value_index(self, *args)
12575 def get_version_info(self):
12576 r"""get_version_info(CoinFlipPairPredicate self) -> VersionInfo"""
12577 return _IMP_core.CoinFlipPairPredicate_get_version_info(self)
12578 __swig_destroy__ = _IMP_core.delete_CoinFlipPairPredicate
12581 r"""__str__(CoinFlipPairPredicate self) -> std::string"""
12582 return _IMP_core.CoinFlipPairPredicate___str__(self)
12584 def __repr__(self):
12585 r"""__repr__(CoinFlipPairPredicate self) -> std::string"""
12586 return _IMP_core.CoinFlipPairPredicate___repr__(self)
12590 return _object_cast_to_CoinFlipPairPredicate(o)
12594 _IMP_core.CoinFlipPairPredicate_swigregister(CoinFlipPairPredicate)
12596 r"""Proxy of C++ IMP::core::ConstantTripletPredicate class."""
12598 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12600 def __init__(self, *args):
12602 __init__(ConstantTripletPredicate self, int v, std::string name="ConstTripletPredicate%1%") -> ConstantTripletPredicate
12603 __init__(ConstantTripletPredicate self) -> ConstantTripletPredicate
12605 _IMP_core.ConstantTripletPredicate_swiginit(self, _IMP_core.new_ConstantTripletPredicate(*args))
12607 def do_get_inputs(self, arg2, arg3):
12608 r"""do_get_inputs(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12609 return _IMP_core.ConstantTripletPredicate_do_get_inputs(self, arg2, arg3)
12611 def get_value(self, *args):
12613 get_value(ConstantTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12614 get_value(ConstantTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12616 return _IMP_core.ConstantTripletPredicate_get_value(self, *args)
12618 def get_value_index(self, *args):
12620 get_value_index(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
12621 get_value_index(ConstantTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12623 return _IMP_core.ConstantTripletPredicate_get_value_index(self, *args)
12625 def get_version_info(self):
12626 r"""get_version_info(ConstantTripletPredicate self) -> VersionInfo"""
12627 return _IMP_core.ConstantTripletPredicate_get_version_info(self)
12628 __swig_destroy__ = _IMP_core.delete_ConstantTripletPredicate
12631 r"""__str__(ConstantTripletPredicate self) -> std::string"""
12632 return _IMP_core.ConstantTripletPredicate___str__(self)
12634 def __repr__(self):
12635 r"""__repr__(ConstantTripletPredicate self) -> std::string"""
12636 return _IMP_core.ConstantTripletPredicate___repr__(self)
12640 return _object_cast_to_ConstantTripletPredicate(o)
12643 def _get_as_binary(self):
12644 r"""_get_as_binary(ConstantTripletPredicate self) -> PyObject *"""
12645 return _IMP_core.ConstantTripletPredicate__get_as_binary(self)
12647 def _set_from_binary(self, p):
12648 r"""_set_from_binary(ConstantTripletPredicate self, PyObject * p)"""
12649 return _IMP_core.ConstantTripletPredicate__set_from_binary(self, p)
12651 def __getstate__(self):
12652 p = self._get_as_binary()
12653 if len(self.__dict__) > 1:
12654 d = self.__dict__.copy()
12659 def __setstate__(self, p):
12660 if not hasattr(self,
'this'):
12662 if isinstance(p, tuple):
12664 self.__dict__.update(d)
12665 return self._set_from_binary(p)
12669 _IMP_core.ConstantTripletPredicate_swigregister(ConstantTripletPredicate)
12671 r"""Proxy of C++ IMP::core::UnorderedTypeTripletPredicate class."""
12673 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12675 def __init__(self, *args):
12676 r"""__init__(UnorderedTypeTripletPredicate self, std::string name="UnorderedTypeTripletPredicate%1%") -> UnorderedTypeTripletPredicate"""
12677 _IMP_core.UnorderedTypeTripletPredicate_swiginit(self, _IMP_core.new_UnorderedTypeTripletPredicate(*args))
12679 def do_get_inputs(self, m, pis):
12680 r"""do_get_inputs(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12681 return _IMP_core.UnorderedTypeTripletPredicate_do_get_inputs(self, m, pis)
12683 def get_value(self, *args):
12685 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12686 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12688 return _IMP_core.UnorderedTypeTripletPredicate_get_value(self, *args)
12690 def get_value_index(self, *args):
12692 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12693 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12695 return _IMP_core.UnorderedTypeTripletPredicate_get_value_index(self, *args)
12697 def get_version_info(self):
12698 r"""get_version_info(UnorderedTypeTripletPredicate self) -> VersionInfo"""
12699 return _IMP_core.UnorderedTypeTripletPredicate_get_version_info(self)
12700 __swig_destroy__ = _IMP_core.delete_UnorderedTypeTripletPredicate
12703 r"""__str__(UnorderedTypeTripletPredicate self) -> std::string"""
12704 return _IMP_core.UnorderedTypeTripletPredicate___str__(self)
12706 def __repr__(self):
12707 r"""__repr__(UnorderedTypeTripletPredicate self) -> std::string"""
12708 return _IMP_core.UnorderedTypeTripletPredicate___repr__(self)
12712 return _object_cast_to_UnorderedTypeTripletPredicate(o)
12715 def _get_as_binary(self):
12716 r"""_get_as_binary(UnorderedTypeTripletPredicate self) -> PyObject *"""
12717 return _IMP_core.UnorderedTypeTripletPredicate__get_as_binary(self)
12719 def _set_from_binary(self, p):
12720 r"""_set_from_binary(UnorderedTypeTripletPredicate self, PyObject * p)"""
12721 return _IMP_core.UnorderedTypeTripletPredicate__set_from_binary(self, p)
12723 def __getstate__(self):
12724 p = self._get_as_binary()
12725 if len(self.__dict__) > 1:
12726 d = self.__dict__.copy()
12731 def __setstate__(self, p):
12732 if not hasattr(self,
'this'):
12734 if isinstance(p, tuple):
12736 self.__dict__.update(d)
12737 return self._set_from_binary(p)
12741 _IMP_core.UnorderedTypeTripletPredicate_swigregister(UnorderedTypeTripletPredicate)
12743 r"""Proxy of C++ IMP::core::OrderedTypeTripletPredicate class."""
12745 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12747 def __init__(self, *args):
12748 r"""__init__(OrderedTypeTripletPredicate self, std::string name="OrderedTypeTripletPredicate%1%") -> OrderedTypeTripletPredicate"""
12749 _IMP_core.OrderedTypeTripletPredicate_swiginit(self, _IMP_core.new_OrderedTypeTripletPredicate(*args))
12751 def do_get_inputs(self, m, pis):
12752 r"""do_get_inputs(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12753 return _IMP_core.OrderedTypeTripletPredicate_do_get_inputs(self, m, pis)
12755 def get_value(self, *args):
12757 get_value(OrderedTypeTripletPredicate self, IMP::core::ParticleTypes const & types) -> int
12758 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12759 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12761 return _IMP_core.OrderedTypeTripletPredicate_get_value(self, *args)
12763 def get_value_index(self, *args):
12765 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12766 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12768 return _IMP_core.OrderedTypeTripletPredicate_get_value_index(self, *args)
12770 def get_version_info(self):
12771 r"""get_version_info(OrderedTypeTripletPredicate self) -> VersionInfo"""
12772 return _IMP_core.OrderedTypeTripletPredicate_get_version_info(self)
12773 __swig_destroy__ = _IMP_core.delete_OrderedTypeTripletPredicate
12776 r"""__str__(OrderedTypeTripletPredicate self) -> std::string"""
12777 return _IMP_core.OrderedTypeTripletPredicate___str__(self)
12779 def __repr__(self):
12780 r"""__repr__(OrderedTypeTripletPredicate self) -> std::string"""
12781 return _IMP_core.OrderedTypeTripletPredicate___repr__(self)
12785 return _object_cast_to_OrderedTypeTripletPredicate(o)
12789 _IMP_core.OrderedTypeTripletPredicate_swigregister(OrderedTypeTripletPredicate)
12791 r"""Proxy of C++ IMP::core::AllSameTripletPredicate class."""
12793 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12795 def __init__(self, *args):
12796 r"""__init__(AllSameTripletPredicate self, std::string name="AllSameTripletPredicate%1%") -> AllSameTripletPredicate"""
12797 _IMP_core.AllSameTripletPredicate_swiginit(self, _IMP_core.new_AllSameTripletPredicate(*args))
12799 def do_get_inputs(self, arg2, arg3):
12800 r"""do_get_inputs(AllSameTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12801 return _IMP_core.AllSameTripletPredicate_do_get_inputs(self, arg2, arg3)
12803 def get_value(self, *args):
12805 get_value(AllSameTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12806 get_value(AllSameTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12808 return _IMP_core.AllSameTripletPredicate_get_value(self, *args)
12810 def get_value_index(self, *args):
12812 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12813 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12815 return _IMP_core.AllSameTripletPredicate_get_value_index(self, *args)
12817 def get_version_info(self):
12818 r"""get_version_info(AllSameTripletPredicate self) -> VersionInfo"""
12819 return _IMP_core.AllSameTripletPredicate_get_version_info(self)
12820 __swig_destroy__ = _IMP_core.delete_AllSameTripletPredicate
12823 r"""__str__(AllSameTripletPredicate self) -> std::string"""
12824 return _IMP_core.AllSameTripletPredicate___str__(self)
12826 def __repr__(self):
12827 r"""__repr__(AllSameTripletPredicate self) -> std::string"""
12828 return _IMP_core.AllSameTripletPredicate___repr__(self)
12832 return _object_cast_to_AllSameTripletPredicate(o)
12835 def _get_as_binary(self):
12836 r"""_get_as_binary(AllSameTripletPredicate self) -> PyObject *"""
12837 return _IMP_core.AllSameTripletPredicate__get_as_binary(self)
12839 def _set_from_binary(self, p):
12840 r"""_set_from_binary(AllSameTripletPredicate self, PyObject * p)"""
12841 return _IMP_core.AllSameTripletPredicate__set_from_binary(self, p)
12843 def __getstate__(self):
12844 p = self._get_as_binary()
12845 if len(self.__dict__) > 1:
12846 d = self.__dict__.copy()
12851 def __setstate__(self, p):
12852 if not hasattr(self,
'this'):
12854 if isinstance(p, tuple):
12856 self.__dict__.update(d)
12857 return self._set_from_binary(p)
12861 _IMP_core.AllSameTripletPredicate_swigregister(AllSameTripletPredicate)
12863 r"""Proxy of C++ IMP::core::CoinFlipTripletPredicate class."""
12865 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12867 def __init__(self, *args):
12868 r"""__init__(CoinFlipTripletPredicate self, double p, std::string name="CoinFlipTripletPredicate%1%") -> CoinFlipTripletPredicate"""
12869 _IMP_core.CoinFlipTripletPredicate_swiginit(self, _IMP_core.new_CoinFlipTripletPredicate(*args))
12871 def do_get_inputs(self, arg2, arg3):
12872 r"""do_get_inputs(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12873 return _IMP_core.CoinFlipTripletPredicate_do_get_inputs(self, arg2, arg3)
12875 def get_value(self, *args):
12877 get_value(CoinFlipTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12878 get_value(CoinFlipTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12880 return _IMP_core.CoinFlipTripletPredicate_get_value(self, *args)
12882 def get_value_index(self, *args):
12884 get_value_index(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
12885 get_value_index(CoinFlipTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12887 return _IMP_core.CoinFlipTripletPredicate_get_value_index(self, *args)
12889 def get_version_info(self):
12890 r"""get_version_info(CoinFlipTripletPredicate self) -> VersionInfo"""
12891 return _IMP_core.CoinFlipTripletPredicate_get_version_info(self)
12892 __swig_destroy__ = _IMP_core.delete_CoinFlipTripletPredicate
12895 r"""__str__(CoinFlipTripletPredicate self) -> std::string"""
12896 return _IMP_core.CoinFlipTripletPredicate___str__(self)
12898 def __repr__(self):
12899 r"""__repr__(CoinFlipTripletPredicate self) -> std::string"""
12900 return _IMP_core.CoinFlipTripletPredicate___repr__(self)
12904 return _object_cast_to_CoinFlipTripletPredicate(o)
12908 _IMP_core.CoinFlipTripletPredicate_swigregister(CoinFlipTripletPredicate)
12910 r"""Proxy of C++ IMP::core::ConstantQuadPredicate class."""
12912 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12914 def __init__(self, *args):
12916 __init__(ConstantQuadPredicate self, int v, std::string name="ConstQuadPredicate%1%") -> ConstantQuadPredicate
12917 __init__(ConstantQuadPredicate self) -> ConstantQuadPredicate
12919 _IMP_core.ConstantQuadPredicate_swiginit(self, _IMP_core.new_ConstantQuadPredicate(*args))
12921 def do_get_inputs(self, arg2, arg3):
12922 r"""do_get_inputs(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12923 return _IMP_core.ConstantQuadPredicate_do_get_inputs(self, arg2, arg3)
12925 def get_value(self, *args):
12927 get_value(ConstantQuadPredicate self, IMP::ParticleQuad const & a) -> int
12928 get_value(ConstantQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
12930 return _IMP_core.ConstantQuadPredicate_get_value(self, *args)
12932 def get_value_index(self, *args):
12934 get_value_index(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
12935 get_value_index(ConstantQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
12937 return _IMP_core.ConstantQuadPredicate_get_value_index(self, *args)
12939 def get_version_info(self):
12940 r"""get_version_info(ConstantQuadPredicate self) -> VersionInfo"""
12941 return _IMP_core.ConstantQuadPredicate_get_version_info(self)
12942 __swig_destroy__ = _IMP_core.delete_ConstantQuadPredicate
12945 r"""__str__(ConstantQuadPredicate self) -> std::string"""
12946 return _IMP_core.ConstantQuadPredicate___str__(self)
12948 def __repr__(self):
12949 r"""__repr__(ConstantQuadPredicate self) -> std::string"""
12950 return _IMP_core.ConstantQuadPredicate___repr__(self)
12954 return _object_cast_to_ConstantQuadPredicate(o)
12957 def _get_as_binary(self):
12958 r"""_get_as_binary(ConstantQuadPredicate self) -> PyObject *"""
12959 return _IMP_core.ConstantQuadPredicate__get_as_binary(self)
12961 def _set_from_binary(self, p):
12962 r"""_set_from_binary(ConstantQuadPredicate self, PyObject * p)"""
12963 return _IMP_core.ConstantQuadPredicate__set_from_binary(self, p)
12965 def __getstate__(self):
12966 p = self._get_as_binary()
12967 if len(self.__dict__) > 1:
12968 d = self.__dict__.copy()
12973 def __setstate__(self, p):
12974 if not hasattr(self,
'this'):
12976 if isinstance(p, tuple):
12978 self.__dict__.update(d)
12979 return self._set_from_binary(p)
12983 _IMP_core.ConstantQuadPredicate_swigregister(ConstantQuadPredicate)
12985 r"""Proxy of C++ IMP::core::UnorderedTypeQuadPredicate class."""
12987 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12989 def __init__(self, *args):
12990 r"""__init__(UnorderedTypeQuadPredicate self, std::string name="UnorderedTypeQuadPredicate%1%") -> UnorderedTypeQuadPredicate"""
12991 _IMP_core.UnorderedTypeQuadPredicate_swiginit(self, _IMP_core.new_UnorderedTypeQuadPredicate(*args))
12993 def do_get_inputs(self, m, pis):
12994 r"""do_get_inputs(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12995 return _IMP_core.UnorderedTypeQuadPredicate_do_get_inputs(self, m, pis)
12997 def get_value(self, *args):
12999 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
13000 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13002 return _IMP_core.UnorderedTypeQuadPredicate_get_value(self, *args)
13004 def get_value_index(self, *args):
13006 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13007 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13009 return _IMP_core.UnorderedTypeQuadPredicate_get_value_index(self, *args)
13011 def get_version_info(self):
13012 r"""get_version_info(UnorderedTypeQuadPredicate self) -> VersionInfo"""
13013 return _IMP_core.UnorderedTypeQuadPredicate_get_version_info(self)
13014 __swig_destroy__ = _IMP_core.delete_UnorderedTypeQuadPredicate
13017 r"""__str__(UnorderedTypeQuadPredicate self) -> std::string"""
13018 return _IMP_core.UnorderedTypeQuadPredicate___str__(self)
13020 def __repr__(self):
13021 r"""__repr__(UnorderedTypeQuadPredicate self) -> std::string"""
13022 return _IMP_core.UnorderedTypeQuadPredicate___repr__(self)
13026 return _object_cast_to_UnorderedTypeQuadPredicate(o)
13029 def _get_as_binary(self):
13030 r"""_get_as_binary(UnorderedTypeQuadPredicate self) -> PyObject *"""
13031 return _IMP_core.UnorderedTypeQuadPredicate__get_as_binary(self)
13033 def _set_from_binary(self, p):
13034 r"""_set_from_binary(UnorderedTypeQuadPredicate self, PyObject * p)"""
13035 return _IMP_core.UnorderedTypeQuadPredicate__set_from_binary(self, p)
13037 def __getstate__(self):
13038 p = self._get_as_binary()
13039 if len(self.__dict__) > 1:
13040 d = self.__dict__.copy()
13045 def __setstate__(self, p):
13046 if not hasattr(self,
'this'):
13048 if isinstance(p, tuple):
13050 self.__dict__.update(d)
13051 return self._set_from_binary(p)
13055 _IMP_core.UnorderedTypeQuadPredicate_swigregister(UnorderedTypeQuadPredicate)
13057 r"""Proxy of C++ IMP::core::OrderedTypeQuadPredicate class."""
13059 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13061 def __init__(self, *args):
13062 r"""__init__(OrderedTypeQuadPredicate self, std::string name="OrderedTypeQuadPredicate%1%") -> OrderedTypeQuadPredicate"""
13063 _IMP_core.OrderedTypeQuadPredicate_swiginit(self, _IMP_core.new_OrderedTypeQuadPredicate(*args))
13065 def do_get_inputs(self, m, pis):
13066 r"""do_get_inputs(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13067 return _IMP_core.OrderedTypeQuadPredicate_do_get_inputs(self, m, pis)
13069 def get_value(self, *args):
13071 get_value(OrderedTypeQuadPredicate self, IMP::core::ParticleTypes const & types) -> int
13072 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
13073 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13075 return _IMP_core.OrderedTypeQuadPredicate_get_value(self, *args)
13077 def get_value_index(self, *args):
13079 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13080 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13082 return _IMP_core.OrderedTypeQuadPredicate_get_value_index(self, *args)
13084 def get_version_info(self):
13085 r"""get_version_info(OrderedTypeQuadPredicate self) -> VersionInfo"""
13086 return _IMP_core.OrderedTypeQuadPredicate_get_version_info(self)
13087 __swig_destroy__ = _IMP_core.delete_OrderedTypeQuadPredicate
13090 r"""__str__(OrderedTypeQuadPredicate self) -> std::string"""
13091 return _IMP_core.OrderedTypeQuadPredicate___str__(self)
13093 def __repr__(self):
13094 r"""__repr__(OrderedTypeQuadPredicate self) -> std::string"""
13095 return _IMP_core.OrderedTypeQuadPredicate___repr__(self)
13099 return _object_cast_to_OrderedTypeQuadPredicate(o)
13103 _IMP_core.OrderedTypeQuadPredicate_swigregister(OrderedTypeQuadPredicate)
13105 r"""Proxy of C++ IMP::core::AllSameQuadPredicate class."""
13107 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13109 def __init__(self, *args):
13110 r"""__init__(AllSameQuadPredicate self, std::string name="AllSameQuadPredicate%1%") -> AllSameQuadPredicate"""
13111 _IMP_core.AllSameQuadPredicate_swiginit(self, _IMP_core.new_AllSameQuadPredicate(*args))
13113 def do_get_inputs(self, arg2, arg3):
13114 r"""do_get_inputs(AllSameQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13115 return _IMP_core.AllSameQuadPredicate_do_get_inputs(self, arg2, arg3)
13117 def get_value(self, *args):
13119 get_value(AllSameQuadPredicate self, IMP::ParticleQuad const & a) -> int
13120 get_value(AllSameQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13122 return _IMP_core.AllSameQuadPredicate_get_value(self, *args)
13124 def get_value_index(self, *args):
13126 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13127 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13129 return _IMP_core.AllSameQuadPredicate_get_value_index(self, *args)
13131 def get_version_info(self):
13132 r"""get_version_info(AllSameQuadPredicate self) -> VersionInfo"""
13133 return _IMP_core.AllSameQuadPredicate_get_version_info(self)
13134 __swig_destroy__ = _IMP_core.delete_AllSameQuadPredicate
13137 r"""__str__(AllSameQuadPredicate self) -> std::string"""
13138 return _IMP_core.AllSameQuadPredicate___str__(self)
13140 def __repr__(self):
13141 r"""__repr__(AllSameQuadPredicate self) -> std::string"""
13142 return _IMP_core.AllSameQuadPredicate___repr__(self)
13146 return _object_cast_to_AllSameQuadPredicate(o)
13149 def _get_as_binary(self):
13150 r"""_get_as_binary(AllSameQuadPredicate self) -> PyObject *"""
13151 return _IMP_core.AllSameQuadPredicate__get_as_binary(self)
13153 def _set_from_binary(self, p):
13154 r"""_set_from_binary(AllSameQuadPredicate self, PyObject * p)"""
13155 return _IMP_core.AllSameQuadPredicate__set_from_binary(self, p)
13157 def __getstate__(self):
13158 p = self._get_as_binary()
13159 if len(self.__dict__) > 1:
13160 d = self.__dict__.copy()
13165 def __setstate__(self, p):
13166 if not hasattr(self,
'this'):
13168 if isinstance(p, tuple):
13170 self.__dict__.update(d)
13171 return self._set_from_binary(p)
13175 _IMP_core.AllSameQuadPredicate_swigregister(AllSameQuadPredicate)
13177 r"""Proxy of C++ IMP::core::CoinFlipQuadPredicate class."""
13179 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13181 def __init__(self, *args):
13182 r"""__init__(CoinFlipQuadPredicate self, double p, std::string name="CoinFlipQuadPredicate%1%") -> CoinFlipQuadPredicate"""
13183 _IMP_core.CoinFlipQuadPredicate_swiginit(self, _IMP_core.new_CoinFlipQuadPredicate(*args))
13185 def do_get_inputs(self, arg2, arg3):
13186 r"""do_get_inputs(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13187 return _IMP_core.CoinFlipQuadPredicate_do_get_inputs(self, arg2, arg3)
13189 def get_value(self, *args):
13191 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuad const & a) -> int
13192 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13194 return _IMP_core.CoinFlipQuadPredicate_get_value(self, *args)
13196 def get_value_index(self, *args):
13198 get_value_index(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
13199 get_value_index(CoinFlipQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13201 return _IMP_core.CoinFlipQuadPredicate_get_value_index(self, *args)
13203 def get_version_info(self):
13204 r"""get_version_info(CoinFlipQuadPredicate self) -> VersionInfo"""
13205 return _IMP_core.CoinFlipQuadPredicate_get_version_info(self)
13206 __swig_destroy__ = _IMP_core.delete_CoinFlipQuadPredicate
13209 r"""__str__(CoinFlipQuadPredicate self) -> std::string"""
13210 return _IMP_core.CoinFlipQuadPredicate___str__(self)
13212 def __repr__(self):
13213 r"""__repr__(CoinFlipQuadPredicate self) -> std::string"""
13214 return _IMP_core.CoinFlipQuadPredicate___repr__(self)
13218 return _object_cast_to_CoinFlipQuadPredicate(o)
13222 _IMP_core.CoinFlipQuadPredicate_swigregister(CoinFlipQuadPredicate)
13224 r"""Proxy of C++ IMP::core::InBoundingBox3DSingletonPredicate class."""
13226 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13228 def __init__(self, *args):
13229 r"""__init__(InBoundingBox3DSingletonPredicate self, BoundingBox3D bb, std::string name="InBoundingBox3DSingletonPredicate%1%") -> InBoundingBox3DSingletonPredicate"""
13230 _IMP_core.InBoundingBox3DSingletonPredicate_swiginit(self, _IMP_core.new_InBoundingBox3DSingletonPredicate(*args))
13232 def do_get_inputs(self, m, pi):
13233 r"""do_get_inputs(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13234 return _IMP_core.InBoundingBox3DSingletonPredicate_do_get_inputs(self, m, pi)
13236 def get_value(self, *args):
13238 get_value(InBoundingBox3DSingletonPredicate self, Particle a) -> int
13239 get_value(InBoundingBox3DSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
13241 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value(self, *args)
13243 def get_value_index(self, *args):
13245 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, ParticleIndex pi) -> int
13246 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
13248 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value_index(self, *args)
13250 def get_version_info(self):
13251 r"""get_version_info(InBoundingBox3DSingletonPredicate self) -> VersionInfo"""
13252 return _IMP_core.InBoundingBox3DSingletonPredicate_get_version_info(self)
13253 __swig_destroy__ = _IMP_core.delete_InBoundingBox3DSingletonPredicate
13256 r"""__str__(InBoundingBox3DSingletonPredicate self) -> std::string"""
13257 return _IMP_core.InBoundingBox3DSingletonPredicate___str__(self)
13259 def __repr__(self):
13260 r"""__repr__(InBoundingBox3DSingletonPredicate self) -> std::string"""
13261 return _IMP_core.InBoundingBox3DSingletonPredicate___repr__(self)
13265 return _object_cast_to_InBoundingBox3DSingletonPredicate(o)
13269 _IMP_core.InBoundingBox3DSingletonPredicate_swigregister(InBoundingBox3DSingletonPredicate)
13271 r"""Proxy of C++ IMP::core::AttributeSingletonPredicate class."""
13273 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13275 def __init__(self, *args):
13276 r"""__init__(AttributeSingletonPredicate self, IntKey bb, std::string name="AttributeSingletonPredicate%1%") -> AttributeSingletonPredicate"""
13277 _IMP_core.AttributeSingletonPredicate_swiginit(self, _IMP_core.new_AttributeSingletonPredicate(*args))
13279 def do_get_inputs(self, m, pi):
13280 r"""do_get_inputs(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13281 return _IMP_core.AttributeSingletonPredicate_do_get_inputs(self, m, pi)
13283 def get_value(self, *args):
13285 get_value(AttributeSingletonPredicate self, Particle a) -> int
13286 get_value(AttributeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
13288 return _IMP_core.AttributeSingletonPredicate_get_value(self, *args)
13290 def get_value_index(self, *args):
13292 get_value_index(AttributeSingletonPredicate self, Model m, ParticleIndex pi) -> int
13293 get_value_index(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
13295 return _IMP_core.AttributeSingletonPredicate_get_value_index(self, *args)
13297 def get_version_info(self):
13298 r"""get_version_info(AttributeSingletonPredicate self) -> VersionInfo"""
13299 return _IMP_core.AttributeSingletonPredicate_get_version_info(self)
13300 __swig_destroy__ = _IMP_core.delete_AttributeSingletonPredicate
13303 r"""__str__(AttributeSingletonPredicate self) -> std::string"""
13304 return _IMP_core.AttributeSingletonPredicate___str__(self)
13306 def __repr__(self):
13307 r"""__repr__(AttributeSingletonPredicate self) -> std::string"""
13308 return _IMP_core.AttributeSingletonPredicate___repr__(self)
13312 return _object_cast_to_AttributeSingletonPredicate(o)
13316 _IMP_core.AttributeSingletonPredicate_swigregister(AttributeSingletonPredicate)
13318 r"""Proxy of C++ IMP::core::IsCollisionPairPredicate class."""
13320 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13322 def __init__(self, *args):
13323 r"""__init__(IsCollisionPairPredicate self, std::string name="CollisionPairPredicate%1%") -> IsCollisionPairPredicate"""
13324 _IMP_core.IsCollisionPairPredicate_swiginit(self, _IMP_core.new_IsCollisionPairPredicate(*args))
13326 def do_get_inputs(self, m, pi):
13327 r"""do_get_inputs(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13328 return _IMP_core.IsCollisionPairPredicate_do_get_inputs(self, m, pi)
13330 def get_value(self, *args):
13332 get_value(IsCollisionPairPredicate self, IMP::ParticlePair const & a) -> int
13333 get_value(IsCollisionPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
13335 return _IMP_core.IsCollisionPairPredicate_get_value(self, *args)
13337 def get_value_index(self, *args):
13339 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
13340 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
13342 return _IMP_core.IsCollisionPairPredicate_get_value_index(self, *args)
13344 def get_version_info(self):
13345 r"""get_version_info(IsCollisionPairPredicate self) -> VersionInfo"""
13346 return _IMP_core.IsCollisionPairPredicate_get_version_info(self)
13347 __swig_destroy__ = _IMP_core.delete_IsCollisionPairPredicate
13350 r"""__str__(IsCollisionPairPredicate self) -> std::string"""
13351 return _IMP_core.IsCollisionPairPredicate___str__(self)
13353 def __repr__(self):
13354 r"""__repr__(IsCollisionPairPredicate self) -> std::string"""
13355 return _IMP_core.IsCollisionPairPredicate___repr__(self)
13359 return _object_cast_to_IsCollisionPairPredicate(o)
13363 _IMP_core.IsCollisionPairPredicate_swigregister(IsCollisionPairPredicate)
13364 class AngleRestraint(TripletRestraint):
13365 r"""Proxy of C++ IMP::core::AngleRestraint class."""
13367 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13369 def __init__(self, *args):
13371 __init__(AngleRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3) -> AngleRestraint
13372 __init__(AngleRestraint self) -> AngleRestraint
13374 _IMP_core.AngleRestraint_swiginit(self, _IMP_core.new_AngleRestraint(*args))
13375 __swig_destroy__ = _IMP_core.delete_AngleRestraint
13378 r"""__str__(AngleRestraint self) -> std::string"""
13379 return _IMP_core.AngleRestraint___str__(self)
13381 def __repr__(self):
13382 r"""__repr__(AngleRestraint self) -> std::string"""
13383 return _IMP_core.AngleRestraint___repr__(self)
13387 return _object_cast_to_AngleRestraint(o)
13390 def _get_as_binary(self):
13391 r"""_get_as_binary(AngleRestraint self) -> PyObject *"""
13392 return _IMP_core.AngleRestraint__get_as_binary(self)
13394 def _set_from_binary(self, p):
13395 r"""_set_from_binary(AngleRestraint self, PyObject * p)"""
13396 return _IMP_core.AngleRestraint__set_from_binary(self, p)
13398 def __getstate__(self):
13399 p = self._get_as_binary()
13400 if len(self.__dict__) > 1:
13401 d = self.__dict__.copy()
13406 def __setstate__(self, p):
13407 if not hasattr(self,
'this'):
13409 if isinstance(p, tuple):
13411 self.__dict__.update(d)
13412 return self._set_from_binary(p)
13416 _IMP_core.AngleRestraint_swigregister(AngleRestraint)
13417 class RigidBodyMover(MonteCarloMover):
13418 r"""Proxy of C++ IMP::core::RigidBodyMover class."""
13420 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13422 def __init__(self, *args):
13424 __init__(RigidBodyMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation) -> RigidBodyMover
13425 __init__(RigidBodyMover self) -> RigidBodyMover
13427 _IMP_core.RigidBodyMover_swiginit(self, _IMP_core.new_RigidBodyMover(*args))
13429 def set_maximum_translation(self, mt):
13430 r"""set_maximum_translation(RigidBodyMover self, IMP::Float mt)"""
13431 return _IMP_core.RigidBodyMover_set_maximum_translation(self, mt)
13433 def set_maximum_rotation(self, mr):
13434 r"""set_maximum_rotation(RigidBodyMover self, IMP::Float mr)"""
13435 return _IMP_core.RigidBodyMover_set_maximum_rotation(self, mr)
13437 def get_maximum_translation(self):
13438 r"""get_maximum_translation(RigidBodyMover self) -> IMP::Float"""
13439 return _IMP_core.RigidBodyMover_get_maximum_translation(self)
13441 def get_maximum_rotation(self):
13442 r"""get_maximum_rotation(RigidBodyMover self) -> IMP::Float"""
13443 return _IMP_core.RigidBodyMover_get_maximum_rotation(self)
13446 r"""get_index(RigidBodyMover self) -> ParticleIndex"""
13447 return _IMP_core.RigidBodyMover_get_index(self)
13449 def get_version_info(self):
13450 r"""get_version_info(RigidBodyMover self) -> VersionInfo"""
13451 return _IMP_core.RigidBodyMover_get_version_info(self)
13452 __swig_destroy__ = _IMP_core.delete_RigidBodyMover
13455 r"""__str__(RigidBodyMover self) -> std::string"""
13456 return _IMP_core.RigidBodyMover___str__(self)
13458 def __repr__(self):
13459 r"""__repr__(RigidBodyMover self) -> std::string"""
13460 return _IMP_core.RigidBodyMover___repr__(self)
13464 return _object_cast_to_RigidBodyMover(o)
13467 def _get_as_binary(self):
13468 r"""_get_as_binary(RigidBodyMover self) -> PyObject *"""
13469 return _IMP_core.RigidBodyMover__get_as_binary(self)
13471 def _set_from_binary(self, p):
13472 r"""_set_from_binary(RigidBodyMover self, PyObject * p)"""
13473 return _IMP_core.RigidBodyMover__set_from_binary(self, p)
13475 def __getstate__(self):
13476 p = self._get_as_binary()
13477 if len(self.__dict__) > 1:
13478 d = self.__dict__.copy()
13483 def __setstate__(self, p):
13484 if not hasattr(self,
'this'):
13486 if isinstance(p, tuple):
13488 self.__dict__.update(d)
13489 return self._set_from_binary(p)
13493 _IMP_core.RigidBodyMover_swigregister(RigidBodyMover)
13494 class RigidBodyTunneler(MonteCarloMover):
13495 r"""Proxy of C++ IMP::core::RigidBodyTunneler class."""
13497 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13499 def __init__(self, m, pis, ref, k, move_probability=1.):
13500 r"""__init__(RigidBodyTunneler self, Model m, IMP::ParticleIndexes pis, ParticleIndex ref, double k, double move_probability=1.) -> RigidBodyTunneler"""
13501 _IMP_core.RigidBodyTunneler_swiginit(self, _IMP_core.new_RigidBodyTunneler(m, pis, ref, k, move_probability))
13503 def add_entry_point(self, fl):
13504 r"""add_entry_point(RigidBodyTunneler self, IMP::Floats fl)"""
13505 return _IMP_core.RigidBodyTunneler_add_entry_point(self, fl)
13507 def reset_stats(self):
13508 r"""reset_stats(RigidBodyTunneler self)"""
13509 return _IMP_core.RigidBodyTunneler_reset_stats(self)
13511 def get_number_of_rejected_moves(self):
13512 r"""get_number_of_rejected_moves(RigidBodyTunneler self) -> unsigned int"""
13513 return _IMP_core.RigidBodyTunneler_get_number_of_rejected_moves(self)
13515 def get_number_of_proposed_moves(self):
13516 r"""get_number_of_proposed_moves(RigidBodyTunneler self) -> unsigned int"""
13517 return _IMP_core.RigidBodyTunneler_get_number_of_proposed_moves(self)
13519 def get_number_of_impossible_moves(self):
13520 r"""get_number_of_impossible_moves(RigidBodyTunneler self) -> unsigned int"""
13521 return _IMP_core.RigidBodyTunneler_get_number_of_impossible_moves(self)
13523 def get_number_of_calls(self):
13524 r"""get_number_of_calls(RigidBodyTunneler self) -> unsigned int"""
13525 return _IMP_core.RigidBodyTunneler_get_number_of_calls(self)
13528 def get_reduced_coordinates(*args):
13530 get_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref) -> IMP::Floats
13531 get_reduced_coordinates(Model m, ParticleIndex pi) -> IMP::Floats
13533 return _IMP_core.RigidBodyTunneler_get_reduced_coordinates(*args)
13536 def set_reduced_coordinates(m, target, ref, coords):
13537 r"""set_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref, IMP::Floats coords)"""
13538 return _IMP_core.RigidBodyTunneler_set_reduced_coordinates(m, target, ref, coords)
13540 def get_version_info(self):
13541 r"""get_version_info(RigidBodyTunneler self) -> VersionInfo"""
13542 return _IMP_core.RigidBodyTunneler_get_version_info(self)
13543 __swig_destroy__ = _IMP_core.delete_RigidBodyTunneler
13546 r"""__str__(RigidBodyTunneler self) -> std::string"""
13547 return _IMP_core.RigidBodyTunneler___str__(self)
13549 def __repr__(self):
13550 r"""__repr__(RigidBodyTunneler self) -> std::string"""
13551 return _IMP_core.RigidBodyTunneler___repr__(self)
13555 return _object_cast_to_RigidBodyTunneler(o)
13559 _IMP_core.RigidBodyTunneler_swigregister(RigidBodyTunneler)
13561 r"""Proxy of C++ IMP::core::RigidBodyUmbrella class."""
13563 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13565 def __init__(self, *args):
13567 __init__(RigidBodyUmbrella self, Model m, ParticleIndex pi, ParticleIndex ref, IMP::Floats x0, double alpha, double k, std::string name="RigidBodyUmbrella %1%") -> RigidBodyUmbrella
13568 __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
13570 _IMP_core.RigidBodyUmbrella_swiginit(self, _IMP_core.new_RigidBodyUmbrella(*args))
13572 def set_x0(self, *args):
13574 set_x0(RigidBodyUmbrella self, IMP::Floats x0)
13575 set_x0(RigidBodyUmbrella self, double _lambda, IMP::Floats x1, IMP::Floats x2)
13577 return _IMP_core.RigidBodyUmbrella_set_x0(self, *args)
13580 r"""get_x0(RigidBodyUmbrella self) -> IMP::Floats"""
13581 return _IMP_core.RigidBodyUmbrella_get_x0(self)
13584 r"""get_x(RigidBodyUmbrella self) -> IMP::Floats"""
13585 return _IMP_core.RigidBodyUmbrella_get_x(self)
13587 def set_alpha(self, alpha):
13588 r"""set_alpha(RigidBodyUmbrella self, double alpha)"""
13589 return _IMP_core.RigidBodyUmbrella_set_alpha(self, alpha)
13591 def set_k(self, k):
13592 r"""set_k(RigidBodyUmbrella self, double k)"""
13593 return _IMP_core.RigidBodyUmbrella_set_k(self, k)
13595 def get_version_info(self):
13596 r"""get_version_info(RigidBodyUmbrella self) -> VersionInfo"""
13597 return _IMP_core.RigidBodyUmbrella_get_version_info(self)
13598 __swig_destroy__ = _IMP_core.delete_RigidBodyUmbrella
13601 r"""__str__(RigidBodyUmbrella self) -> std::string"""
13602 return _IMP_core.RigidBodyUmbrella___str__(self)
13604 def __repr__(self):
13605 r"""__repr__(RigidBodyUmbrella self) -> std::string"""
13606 return _IMP_core.RigidBodyUmbrella___repr__(self)
13610 return _object_cast_to_RigidBodyUmbrella(o)
13614 _IMP_core.RigidBodyUmbrella_swigregister(RigidBodyUmbrella)
13616 r"""Proxy of C++ IMP::core::VolumeRestraint class."""
13618 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13620 def __init__(self, f, sc, volume):
13621 r"""__init__(VolumeRestraint self, UnaryFunction f, SingletonContainer sc, double volume) -> VolumeRestraint"""
13622 _IMP_core.VolumeRestraint_swiginit(self, _IMP_core.new_VolumeRestraint(f, sc, volume))
13624 def do_get_inputs(self):
13625 r"""do_get_inputs(VolumeRestraint self) -> IMP::ModelObjectsTemp"""
13626 return _IMP_core.VolumeRestraint_do_get_inputs(self)
13628 def get_version_info(self):
13629 r"""get_version_info(VolumeRestraint self) -> VersionInfo"""
13630 return _IMP_core.VolumeRestraint_get_version_info(self)
13631 __swig_destroy__ = _IMP_core.delete_VolumeRestraint
13634 r"""__str__(VolumeRestraint self) -> std::string"""
13635 return _IMP_core.VolumeRestraint___str__(self)
13637 def __repr__(self):
13638 r"""__repr__(VolumeRestraint self) -> std::string"""
13639 return _IMP_core.VolumeRestraint___repr__(self)
13643 return _object_cast_to_VolumeRestraint(o)
13647 _IMP_core.VolumeRestraint_swigregister(VolumeRestraint)
13650 r"""get_centroid(IMP::core::XYZs const & ps) -> Vector3D"""
13651 return _IMP_core.get_centroid(ps)
13654 r"""get_bounding_box(IMP::core::XYZRs const & ps) -> BoundingBox3D"""
13655 return _IMP_core.get_bounding_box(ps)
13657 r"""Proxy of C++ IMP::core::MoveStatisticsScoreState class."""
13659 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13661 def __init__(self, ps):
13662 r"""__init__(MoveStatisticsScoreState self, IMP::ParticlesTemp const & ps) -> MoveStatisticsScoreState"""
13663 _IMP_core.MoveStatisticsScoreState_swiginit(self, _IMP_core.new_MoveStatisticsScoreState(ps))
13665 def show_statistics(self, *args):
13666 r"""show_statistics(MoveStatisticsScoreState self, _ostream out=std::cout)"""
13667 return _IMP_core.MoveStatisticsScoreState_show_statistics(self, *args)
13670 r"""reset(MoveStatisticsScoreState self)"""
13671 return _IMP_core.MoveStatisticsScoreState_reset(self)
13673 def do_before_evaluate(self):
13674 r"""do_before_evaluate(MoveStatisticsScoreState self)"""
13675 return _IMP_core.MoveStatisticsScoreState_do_before_evaluate(self)
13677 def do_after_evaluate(self, da):
13678 r"""do_after_evaluate(MoveStatisticsScoreState self, DerivativeAccumulator da)"""
13679 return _IMP_core.MoveStatisticsScoreState_do_after_evaluate(self, da)
13681 def do_get_inputs(self):
13682 r"""do_get_inputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
13683 return _IMP_core.MoveStatisticsScoreState_do_get_inputs(self)
13685 def do_get_outputs(self):
13686 r"""do_get_outputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
13687 return _IMP_core.MoveStatisticsScoreState_do_get_outputs(self)
13689 def get_version_info(self):
13690 r"""get_version_info(MoveStatisticsScoreState self) -> VersionInfo"""
13691 return _IMP_core.MoveStatisticsScoreState_get_version_info(self)
13692 __swig_destroy__ = _IMP_core.delete_MoveStatisticsScoreState
13695 r"""__str__(MoveStatisticsScoreState self) -> std::string"""
13696 return _IMP_core.MoveStatisticsScoreState___str__(self)
13698 def __repr__(self):
13699 r"""__repr__(MoveStatisticsScoreState self) -> std::string"""
13700 return _IMP_core.MoveStatisticsScoreState___repr__(self)
13704 return _object_cast_to_MoveStatisticsScoreState(o)
13708 _IMP_core.MoveStatisticsScoreState_swigregister(MoveStatisticsScoreState)
13709 IMP_PARTICLE_TYPE_INDEX = _IMP_core.IMP_PARTICLE_TYPE_INDEX
13712 r"""Proxy of C++ IMP::core::Typed class."""
13714 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13717 def get_type_key():
13718 r"""get_type_key() -> IntKey"""
13719 return _IMP_core.Typed_get_type_key()
13721 def __init__(self, *args):
13723 __init__(Typed self) -> Typed
13724 __init__(Typed self, Model m, ParticleIndex id) -> Typed
13725 __init__(Typed self, _ParticleAdaptor d) -> Typed
13727 _IMP_core.Typed_swiginit(self, _IMP_core.new_Typed(*args))
13729 def show(self, *args):
13730 r"""show(Typed self, _ostream out=std::cout)"""
13731 return _IMP_core.Typed_show(self, *args)
13734 def setup_particle(*args):
13736 setup_particle(Model m, ParticleIndex pi, ParticleType t) -> Typed
13737 setup_particle(_ParticleAdaptor pa, ParticleType t) -> Typed
13739 return _IMP_core.Typed_setup_particle(*args)
13742 def get_is_setup(*args):
13744 get_is_setup(_ParticleAdaptor p) -> bool
13745 get_is_setup(Model m, ParticleIndex pi) -> bool
13747 return _IMP_core.Typed_get_is_setup(*args)
13749 def get_type(self):
13750 r"""get_type(Typed self) -> ParticleType"""
13751 return _IMP_core.Typed_get_type(self)
13753 def set_type(self, pt):
13754 r"""set_type(Typed self, ParticleType pt)"""
13755 return _IMP_core.Typed_set_type(self, pt)
13757 def add_attribute(self, *args):
13759 add_attribute(Typed self, FloatKey k, IMP::Float v, bool opt)
13760 add_attribute(Typed self, FloatKey a0, IMP::Float a1)
13761 add_attribute(Typed self, IntKey a0, IMP::Int a1)
13762 add_attribute(Typed self, FloatsKey a0, IMP::Floats a1)
13763 add_attribute(Typed self, IntsKey a0, IMP::Ints a1)
13764 add_attribute(Typed self, StringKey a0, IMP::String a1)
13765 add_attribute(Typed self, ParticleIndexKey a0, Particle a1)
13766 add_attribute(Typed self, ObjectKey a0, Object a1)
13767 add_attribute(Typed self, SparseFloatKey a0, IMP::Float a1)
13768 add_attribute(Typed self, SparseIntKey a0, IMP::Int a1)
13769 add_attribute(Typed self, SparseStringKey a0, IMP::String a1)
13770 add_attribute(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
13772 return _IMP_core.Typed_add_attribute(self, *args)
13774 def get_value(self, *args):
13776 get_value(Typed self, FloatKey a0) -> IMP::Float
13777 get_value(Typed self, IntKey a0) -> IMP::Int
13778 get_value(Typed self, FloatsKey a0) -> IMP::Floats
13779 get_value(Typed self, IntsKey a0) -> IMP::Ints
13780 get_value(Typed self, StringKey a0) -> IMP::String
13781 get_value(Typed self, ParticleIndexKey a0) -> Particle
13782 get_value(Typed self, ObjectKey a0) -> Object
13783 get_value(Typed self, SparseFloatKey a0) -> IMP::Float
13784 get_value(Typed self, SparseIntKey a0) -> IMP::Int
13785 get_value(Typed self, SparseStringKey a0) -> IMP::String
13786 get_value(Typed self, SparseParticleIndexKey a0) -> ParticleIndex
13788 return _IMP_core.Typed_get_value(self, *args)
13790 def set_value(self, *args):
13792 set_value(Typed self, FloatKey a0, IMP::Float a1)
13793 set_value(Typed self, IntKey a0, IMP::Int a1)
13794 set_value(Typed self, FloatsKey a0, IMP::Floats a1)
13795 set_value(Typed self, IntsKey a0, IMP::Ints a1)
13796 set_value(Typed self, StringKey a0, IMP::String a1)
13797 set_value(Typed self, ParticleIndexKey a0, Particle a1)
13798 set_value(Typed self, ObjectKey a0, Object a1)
13799 set_value(Typed self, SparseFloatKey a0, IMP::Float a1)
13800 set_value(Typed self, SparseIntKey a0, IMP::Int a1)
13801 set_value(Typed self, SparseStringKey a0, IMP::String a1)
13802 set_value(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
13804 return _IMP_core.Typed_set_value(self, *args)
13806 def remove_attribute(self, *args):
13808 remove_attribute(Typed self, FloatKey a0)
13809 remove_attribute(Typed self, IntKey a0)
13810 remove_attribute(Typed self, FloatsKey a0)
13811 remove_attribute(Typed self, IntsKey a0)
13812 remove_attribute(Typed self, StringKey a0)
13813 remove_attribute(Typed self, ParticleIndexKey a0)
13814 remove_attribute(Typed self, ObjectKey a0)
13815 remove_attribute(Typed self, SparseFloatKey a0)
13816 remove_attribute(Typed self, SparseIntKey a0)
13817 remove_attribute(Typed self, SparseStringKey a0)
13818 remove_attribute(Typed self, SparseParticleIndexKey a0)
13820 return _IMP_core.Typed_remove_attribute(self, *args)
13822 def has_attribute(self, *args):
13824 has_attribute(Typed self, FloatKey a0) -> bool
13825 has_attribute(Typed self, IntKey a0) -> bool
13826 has_attribute(Typed self, FloatsKey a0) -> bool
13827 has_attribute(Typed self, IntsKey a0) -> bool
13828 has_attribute(Typed self, StringKey a0) -> bool
13829 has_attribute(Typed self, ParticleIndexKey a0) -> bool
13830 has_attribute(Typed self, ObjectKey a0) -> bool
13831 has_attribute(Typed self, SparseFloatKey a0) -> bool
13832 has_attribute(Typed self, SparseIntKey a0) -> bool
13833 has_attribute(Typed self, SparseStringKey a0) -> bool
13834 has_attribute(Typed self, SparseParticleIndexKey a0) -> bool
13836 return _IMP_core.Typed_has_attribute(self, *args)
13838 def get_derivative(self, a0):
13839 r"""get_derivative(Typed self, FloatKey a0) -> double"""
13840 return _IMP_core.Typed_get_derivative(self, a0)
13842 def get_name(self):
13843 r"""get_name(Typed self) -> std::string"""
13844 return _IMP_core.Typed_get_name(self)
13846 def clear_caches(self):
13847 r"""clear_caches(Typed self)"""
13848 return _IMP_core.Typed_clear_caches(self)
13850 def set_name(self, a0):
13851 r"""set_name(Typed self, std::string a0)"""
13852 return _IMP_core.Typed_set_name(self, a0)
13855 r"""set_check_level(Typed self, IMP::CheckLevel a0)"""
13856 return _IMP_core.Typed_set_check_level(self, a0)
13858 def add_to_derivative(self, a0, a1, a2):
13859 r"""add_to_derivative(Typed self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
13860 return _IMP_core.Typed_add_to_derivative(self, a0, a1, a2)
13862 def set_is_optimized(self, a0, a1):
13863 r"""set_is_optimized(Typed self, FloatKey a0, bool a1)"""
13864 return _IMP_core.Typed_set_is_optimized(self, a0, a1)
13866 def get_is_optimized(self, a0):
13867 r"""get_is_optimized(Typed self, FloatKey a0) -> bool"""
13868 return _IMP_core.Typed_get_is_optimized(self, a0)
13871 r"""get_check_level(Typed self) -> IMP::CheckLevel"""
13872 return _IMP_core.Typed_get_check_level(self)
13874 def __eq__(self, *args):
13876 __eq__(Typed self, Typed o) -> bool
13877 __eq__(Typed self, Particle d) -> bool
13879 return _IMP_core.Typed___eq__(self, *args)
13881 def __ne__(self, *args):
13883 __ne__(Typed self, Typed o) -> bool
13884 __ne__(Typed self, Particle d) -> bool
13886 return _IMP_core.Typed___ne__(self, *args)
13888 def __le__(self, *args):
13890 __le__(Typed self, Typed o) -> bool
13891 __le__(Typed self, Particle d) -> bool
13893 return _IMP_core.Typed___le__(self, *args)
13895 def __lt__(self, *args):
13897 __lt__(Typed self, Typed o) -> bool
13898 __lt__(Typed self, Particle d) -> bool
13900 return _IMP_core.Typed___lt__(self, *args)
13902 def __ge__(self, *args):
13904 __ge__(Typed self, Typed o) -> bool
13905 __ge__(Typed self, Particle d) -> bool
13907 return _IMP_core.Typed___ge__(self, *args)
13909 def __gt__(self, *args):
13911 __gt__(Typed self, Typed o) -> bool
13912 __gt__(Typed self, Particle d) -> bool
13914 return _IMP_core.Typed___gt__(self, *args)
13916 def __hash__(self):
13917 r"""__hash__(Typed self) -> std::size_t"""
13918 return _IMP_core.Typed___hash__(self)
13921 r"""__str__(Typed self) -> std::string"""
13922 return _IMP_core.Typed___str__(self)
13924 def __repr__(self):
13925 r"""__repr__(Typed self) -> std::string"""
13926 return _IMP_core.Typed___repr__(self)
13928 def _get_as_binary(self):
13929 r"""_get_as_binary(Typed self) -> PyObject *"""
13930 return _IMP_core.Typed__get_as_binary(self)
13932 def _set_from_binary(self, p):
13933 r"""_set_from_binary(Typed self, PyObject * p)"""
13934 return _IMP_core.Typed__set_from_binary(self, p)
13936 def __getstate__(self):
13937 p = self._get_as_binary()
13938 if len(self.__dict__) > 1:
13939 d = self.__dict__.copy()
13944 def __setstate__(self, p):
13945 if not hasattr(self,
'this'):
13947 if isinstance(p, tuple):
13949 self.__dict__.update(d)
13950 return self._set_from_binary(p)
13952 __swig_destroy__ = _IMP_core.delete_Typed
13955 _IMP_core.Typed_swigregister(Typed)
13957 def __lshift__(*args):
13959 __lshift__(_ostream out, XYZ n) -> _ostream
13960 __lshift__(_ostream out, XYZR n) -> _ostream
13961 __lshift__(_ostream out, Direction n) -> _ostream
13962 __lshift__(_ostream out, DirectionAngle n) -> _ostream
13963 __lshift__(_ostream out, Surface n) -> _ostream
13964 __lshift__(_ostream out, Centroid n) -> _ostream
13965 __lshift__(_ostream out, Cover n) -> _ostream
13966 __lshift__(_ostream out, Reference n) -> _ostream
13967 __lshift__(_ostream out, RigidMember n) -> _ostream
13968 __lshift__(_ostream out, RigidBody n) -> _ostream
13969 __lshift__(_ostream out, Gaussian n) -> _ostream
13970 __lshift__(_ostream out, Typed n) -> _ostream
13972 return _IMP_core.__lshift__(*args)
13974 r"""Proxy of C++ IMP::core::WriteRestraintScoresOptimizerState class."""
13976 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13978 def __init__(self, rs, out):
13979 r"""__init__(WriteRestraintScoresOptimizerState self, IMP::Restraints const & rs, TextOutput out) -> WriteRestraintScoresOptimizerState"""
13980 _IMP_core.WriteRestraintScoresOptimizerState_swiginit(self, _IMP_core.new_WriteRestraintScoresOptimizerState(rs, out))
13982 def get_version_info(self):
13983 r"""get_version_info(WriteRestraintScoresOptimizerState self) -> VersionInfo"""
13984 return _IMP_core.WriteRestraintScoresOptimizerState_get_version_info(self)
13985 __swig_destroy__ = _IMP_core.delete_WriteRestraintScoresOptimizerState
13988 r"""__str__(WriteRestraintScoresOptimizerState self) -> std::string"""
13989 return _IMP_core.WriteRestraintScoresOptimizerState___str__(self)
13991 def __repr__(self):
13992 r"""__repr__(WriteRestraintScoresOptimizerState self) -> std::string"""
13993 return _IMP_core.WriteRestraintScoresOptimizerState___repr__(self)
13997 return _object_cast_to_WriteRestraintScoresOptimizerState(o)
14001 _IMP_core.WriteRestraintScoresOptimizerState_swigregister(WriteRestraintScoresOptimizerState)
14004 r"""assign_blame(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, FloatKey attribute)"""
14005 return _IMP_core.assign_blame(rs, ps, attribute)
14008 r"""create_blame_geometries(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, double max=NO_MAX, std::string name=std::string()) -> IMP::display::Geometries"""
14009 return _IMP_core.create_blame_geometries(*args)
14011 r"""Proxy of C++ IMP::core::MultipleBinormalRestraint class."""
14013 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14015 def __init__(self, m, q1, q2):
14016 r"""__init__(MultipleBinormalRestraint self, Model m, IMP::ParticleIndexQuad const & q1, IMP::ParticleIndexQuad const & q2) -> MultipleBinormalRestraint"""
14017 _IMP_core.MultipleBinormalRestraint_swiginit(self, _IMP_core.new_MultipleBinormalRestraint(m, q1, q2))
14019 def add_term(self, term):
14020 r"""add_term(MultipleBinormalRestraint self, BinormalTerm term)"""
14021 return _IMP_core.MultipleBinormalRestraint_add_term(self, term)
14023 def do_get_inputs(self):
14024 r"""do_get_inputs(MultipleBinormalRestraint self) -> IMP::ModelObjectsTemp"""
14025 return _IMP_core.MultipleBinormalRestraint_do_get_inputs(self)
14027 def get_version_info(self):
14028 r"""get_version_info(MultipleBinormalRestraint self) -> VersionInfo"""
14029 return _IMP_core.MultipleBinormalRestraint_get_version_info(self)
14030 __swig_destroy__ = _IMP_core.delete_MultipleBinormalRestraint
14033 r"""__str__(MultipleBinormalRestraint self) -> std::string"""
14034 return _IMP_core.MultipleBinormalRestraint___str__(self)
14036 def __repr__(self):
14037 r"""__repr__(MultipleBinormalRestraint self) -> std::string"""
14038 return _IMP_core.MultipleBinormalRestraint___repr__(self)
14042 return _object_cast_to_MultipleBinormalRestraint(o)
14046 _IMP_core.MultipleBinormalRestraint_swigregister(MultipleBinormalRestraint)
14047 class BinormalTerm(object):
14048 r"""Proxy of C++ IMP::core::BinormalTerm class."""
14050 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14052 def __init__(self):
14053 r"""__init__(BinormalTerm self) -> BinormalTerm"""
14054 _IMP_core.BinormalTerm_swiginit(self, _IMP_core.new_BinormalTerm())
14056 def set_correlation(self, correlation):
14057 r"""set_correlation(BinormalTerm self, double correlation)"""
14058 return _IMP_core.BinormalTerm_set_correlation(self, correlation)
14060 def set_weight(self, weight):
14061 r"""set_weight(BinormalTerm self, double weight)"""
14062 return _IMP_core.BinormalTerm_set_weight(self, weight)
14064 def set_means(self, means):
14065 r"""set_means(BinormalTerm self, IMP::FloatPair means)"""
14066 return _IMP_core.BinormalTerm_set_means(self, means)
14068 def set_standard_deviations(self, stdevs):
14069 r"""set_standard_deviations(BinormalTerm self, IMP::FloatPair stdevs)"""
14070 return _IMP_core.BinormalTerm_set_standard_deviations(self, stdevs)
14072 def show(self, *args):
14073 r"""show(BinormalTerm self, _ostream out=std::cout)"""
14074 return _IMP_core.BinormalTerm_show(self, *args)
14077 r"""__str__(BinormalTerm self) -> std::string"""
14078 return _IMP_core.BinormalTerm___str__(self)
14080 def __repr__(self):
14081 r"""__repr__(BinormalTerm self) -> std::string"""
14082 return _IMP_core.BinormalTerm___repr__(self)
14084 def _get_as_binary(self):
14085 r"""_get_as_binary(BinormalTerm self) -> PyObject *"""
14086 return _IMP_core.BinormalTerm__get_as_binary(self)
14088 def _set_from_binary(self, p):
14089 r"""_set_from_binary(BinormalTerm self, PyObject * p)"""
14090 return _IMP_core.BinormalTerm__set_from_binary(self, p)
14092 def __getstate__(self):
14093 p = self._get_as_binary()
14094 if len(self.__dict__) > 1:
14095 d = self.__dict__.copy()
14100 def __setstate__(self, p):
14101 if not hasattr(self,
'this'):
14103 if isinstance(p, tuple):
14105 self.__dict__.update(d)
14106 return self._set_from_binary(p)
14108 __swig_destroy__ = _IMP_core.delete_BinormalTerm
14111 _IMP_core.BinormalTerm_swigregister(BinormalTerm)
14113 r"""Proxy of C++ IMP::core::Provenance class."""
14115 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14117 def get_previous(self):
14118 r"""get_previous(Provenance self) -> Provenance"""
14119 return _IMP_core.Provenance_get_previous(self)
14121 def set_previous(self, p):
14122 r"""set_previous(Provenance self, Provenance p)"""
14123 return _IMP_core.Provenance_set_previous(self, p)
14125 def __init__(self, *args):
14127 __init__(Provenance self) -> Provenance
14128 __init__(Provenance self, Model m, ParticleIndex id) -> Provenance
14129 __init__(Provenance self, _ParticleAdaptor d) -> Provenance
14131 _IMP_core.Provenance_swiginit(self, _IMP_core.new_Provenance(*args))
14134 def get_is_setup(*args):
14136 get_is_setup(Model m, ParticleIndex pi) -> bool
14137 get_is_setup(_ParticleAdaptor p) -> bool
14139 return _IMP_core.Provenance_get_is_setup(*args)
14141 def show(self, *args):
14142 r"""show(Provenance self, _ostream out=std::cout)"""
14143 return _IMP_core.Provenance_show(self, *args)
14146 def setup_particle(*args):
14148 setup_particle(Model m, ParticleIndex pi) -> Provenance
14149 setup_particle(_ParticleAdaptor pa) -> Provenance
14151 return _IMP_core.Provenance_setup_particle(*args)
14153 def add_attribute(self, *args):
14155 add_attribute(Provenance self, FloatKey k, IMP::Float v, bool opt)
14156 add_attribute(Provenance self, FloatKey a0, IMP::Float a1)
14157 add_attribute(Provenance self, IntKey a0, IMP::Int a1)
14158 add_attribute(Provenance self, FloatsKey a0, IMP::Floats a1)
14159 add_attribute(Provenance self, IntsKey a0, IMP::Ints a1)
14160 add_attribute(Provenance self, StringKey a0, IMP::String a1)
14161 add_attribute(Provenance self, ParticleIndexKey a0, Particle a1)
14162 add_attribute(Provenance self, ObjectKey a0, Object a1)
14163 add_attribute(Provenance self, SparseFloatKey a0, IMP::Float a1)
14164 add_attribute(Provenance self, SparseIntKey a0, IMP::Int a1)
14165 add_attribute(Provenance self, SparseStringKey a0, IMP::String a1)
14166 add_attribute(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14168 return _IMP_core.Provenance_add_attribute(self, *args)
14170 def get_value(self, *args):
14172 get_value(Provenance self, FloatKey a0) -> IMP::Float
14173 get_value(Provenance self, IntKey a0) -> IMP::Int
14174 get_value(Provenance self, FloatsKey a0) -> IMP::Floats
14175 get_value(Provenance self, IntsKey a0) -> IMP::Ints
14176 get_value(Provenance self, StringKey a0) -> IMP::String
14177 get_value(Provenance self, ParticleIndexKey a0) -> Particle
14178 get_value(Provenance self, ObjectKey a0) -> Object
14179 get_value(Provenance self, SparseFloatKey a0) -> IMP::Float
14180 get_value(Provenance self, SparseIntKey a0) -> IMP::Int
14181 get_value(Provenance self, SparseStringKey a0) -> IMP::String
14182 get_value(Provenance self, SparseParticleIndexKey a0) -> ParticleIndex
14184 return _IMP_core.Provenance_get_value(self, *args)
14186 def set_value(self, *args):
14188 set_value(Provenance self, FloatKey a0, IMP::Float a1)
14189 set_value(Provenance self, IntKey a0, IMP::Int a1)
14190 set_value(Provenance self, FloatsKey a0, IMP::Floats a1)
14191 set_value(Provenance self, IntsKey a0, IMP::Ints a1)
14192 set_value(Provenance self, StringKey a0, IMP::String a1)
14193 set_value(Provenance self, ParticleIndexKey a0, Particle a1)
14194 set_value(Provenance self, ObjectKey a0, Object a1)
14195 set_value(Provenance self, SparseFloatKey a0, IMP::Float a1)
14196 set_value(Provenance self, SparseIntKey a0, IMP::Int a1)
14197 set_value(Provenance self, SparseStringKey a0, IMP::String a1)
14198 set_value(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14200 return _IMP_core.Provenance_set_value(self, *args)
14202 def remove_attribute(self, *args):
14204 remove_attribute(Provenance self, FloatKey a0)
14205 remove_attribute(Provenance self, IntKey a0)
14206 remove_attribute(Provenance self, FloatsKey a0)
14207 remove_attribute(Provenance self, IntsKey a0)
14208 remove_attribute(Provenance self, StringKey a0)
14209 remove_attribute(Provenance self, ParticleIndexKey a0)
14210 remove_attribute(Provenance self, ObjectKey a0)
14211 remove_attribute(Provenance self, SparseFloatKey a0)
14212 remove_attribute(Provenance self, SparseIntKey a0)
14213 remove_attribute(Provenance self, SparseStringKey a0)
14214 remove_attribute(Provenance self, SparseParticleIndexKey a0)
14216 return _IMP_core.Provenance_remove_attribute(self, *args)
14218 def has_attribute(self, *args):
14220 has_attribute(Provenance self, FloatKey a0) -> bool
14221 has_attribute(Provenance self, IntKey a0) -> bool
14222 has_attribute(Provenance self, FloatsKey a0) -> bool
14223 has_attribute(Provenance self, IntsKey a0) -> bool
14224 has_attribute(Provenance self, StringKey a0) -> bool
14225 has_attribute(Provenance self, ParticleIndexKey a0) -> bool
14226 has_attribute(Provenance self, ObjectKey a0) -> bool
14227 has_attribute(Provenance self, SparseFloatKey a0) -> bool
14228 has_attribute(Provenance self, SparseIntKey a0) -> bool
14229 has_attribute(Provenance self, SparseStringKey a0) -> bool
14230 has_attribute(Provenance self, SparseParticleIndexKey a0) -> bool
14232 return _IMP_core.Provenance_has_attribute(self, *args)
14234 def get_derivative(self, a0):
14235 r"""get_derivative(Provenance self, FloatKey a0) -> double"""
14236 return _IMP_core.Provenance_get_derivative(self, a0)
14238 def get_name(self):
14239 r"""get_name(Provenance self) -> std::string"""
14240 return _IMP_core.Provenance_get_name(self)
14242 def clear_caches(self):
14243 r"""clear_caches(Provenance self)"""
14244 return _IMP_core.Provenance_clear_caches(self)
14246 def set_name(self, a0):
14247 r"""set_name(Provenance self, std::string a0)"""
14248 return _IMP_core.Provenance_set_name(self, a0)
14251 r"""set_check_level(Provenance self, IMP::CheckLevel a0)"""
14252 return _IMP_core.Provenance_set_check_level(self, a0)
14254 def add_to_derivative(self, a0, a1, a2):
14255 r"""add_to_derivative(Provenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14256 return _IMP_core.Provenance_add_to_derivative(self, a0, a1, a2)
14258 def set_is_optimized(self, a0, a1):
14259 r"""set_is_optimized(Provenance self, FloatKey a0, bool a1)"""
14260 return _IMP_core.Provenance_set_is_optimized(self, a0, a1)
14262 def get_is_optimized(self, a0):
14263 r"""get_is_optimized(Provenance self, FloatKey a0) -> bool"""
14264 return _IMP_core.Provenance_get_is_optimized(self, a0)
14267 r"""get_check_level(Provenance self) -> IMP::CheckLevel"""
14268 return _IMP_core.Provenance_get_check_level(self)
14270 def __eq__(self, *args):
14272 __eq__(Provenance self, Provenance o) -> bool
14273 __eq__(Provenance self, Particle d) -> bool
14275 return _IMP_core.Provenance___eq__(self, *args)
14277 def __ne__(self, *args):
14279 __ne__(Provenance self, Provenance o) -> bool
14280 __ne__(Provenance self, Particle d) -> bool
14282 return _IMP_core.Provenance___ne__(self, *args)
14284 def __le__(self, *args):
14286 __le__(Provenance self, Provenance o) -> bool
14287 __le__(Provenance self, Particle d) -> bool
14289 return _IMP_core.Provenance___le__(self, *args)
14291 def __lt__(self, *args):
14293 __lt__(Provenance self, Provenance o) -> bool
14294 __lt__(Provenance self, Particle d) -> bool
14296 return _IMP_core.Provenance___lt__(self, *args)
14298 def __ge__(self, *args):
14300 __ge__(Provenance self, Provenance o) -> bool
14301 __ge__(Provenance self, Particle d) -> bool
14303 return _IMP_core.Provenance___ge__(self, *args)
14305 def __gt__(self, *args):
14307 __gt__(Provenance self, Provenance o) -> bool
14308 __gt__(Provenance self, Particle d) -> bool
14310 return _IMP_core.Provenance___gt__(self, *args)
14312 def __hash__(self):
14313 r"""__hash__(Provenance self) -> std::size_t"""
14314 return _IMP_core.Provenance___hash__(self)
14317 r"""__str__(Provenance self) -> std::string"""
14318 return _IMP_core.Provenance___str__(self)
14320 def __repr__(self):
14321 r"""__repr__(Provenance self) -> std::string"""
14322 return _IMP_core.Provenance___repr__(self)
14324 def _get_as_binary(self):
14325 r"""_get_as_binary(Provenance self) -> PyObject *"""
14326 return _IMP_core.Provenance__get_as_binary(self)
14328 def _set_from_binary(self, p):
14329 r"""_set_from_binary(Provenance self, PyObject * p)"""
14330 return _IMP_core.Provenance__set_from_binary(self, p)
14332 def __getstate__(self):
14333 p = self._get_as_binary()
14334 if len(self.__dict__) > 1:
14335 d = self.__dict__.copy()
14340 def __setstate__(self, p):
14341 if not hasattr(self,
'this'):
14343 if isinstance(p, tuple):
14345 self.__dict__.update(d)
14346 return self._set_from_binary(p)
14348 __swig_destroy__ = _IMP_core.delete_Provenance
14351 _IMP_core.Provenance_swigregister(Provenance)
14352 class StructureProvenance(Provenance):
14353 r"""Proxy of C++ IMP::core::StructureProvenance class."""
14355 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14357 def set_filename(self, filename):
14358 r"""set_filename(StructureProvenance self, std::string filename)"""
14359 return _IMP_core.StructureProvenance_set_filename(self, filename)
14361 def get_filename(self):
14362 r"""get_filename(StructureProvenance self) -> std::string"""
14363 return _IMP_core.StructureProvenance_get_filename(self)
14365 def set_chain_id(self, chain_id):
14366 r"""set_chain_id(StructureProvenance self, std::string chain_id)"""
14367 return _IMP_core.StructureProvenance_set_chain_id(self, chain_id)
14370 r"""get_chain_id(StructureProvenance self) -> std::string"""
14371 return _IMP_core.StructureProvenance_get_chain_id(self)
14373 def set_residue_offset(self, residue_offset):
14374 r"""set_residue_offset(StructureProvenance self, int residue_offset)"""
14375 return _IMP_core.StructureProvenance_set_residue_offset(self, residue_offset)
14377 def get_residue_offset(self):
14378 r"""get_residue_offset(StructureProvenance self) -> int"""
14379 return _IMP_core.StructureProvenance_get_residue_offset(self)
14381 def __init__(self, *args):
14383 __init__(StructureProvenance self) -> StructureProvenance
14384 __init__(StructureProvenance self, Model m, ParticleIndex id) -> StructureProvenance
14385 __init__(StructureProvenance self, _ParticleAdaptor d) -> StructureProvenance
14387 _IMP_core.StructureProvenance_swiginit(self, _IMP_core.new_StructureProvenance(*args))
14390 def get_is_setup(*args):
14392 get_is_setup(Model m, ParticleIndex pi) -> bool
14393 get_is_setup(_ParticleAdaptor p) -> bool
14395 return _IMP_core.StructureProvenance_get_is_setup(*args)
14397 def show(self, *args):
14398 r"""show(StructureProvenance self, _ostream out=std::cout)"""
14399 return _IMP_core.StructureProvenance_show(self, *args)
14402 def setup_particle(*args):
14404 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14405 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14406 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id) -> StructureProvenance
14407 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id) -> StructureProvenance
14408 setup_particle(Model m, ParticleIndex pi, StructureProvenance o) -> StructureProvenance
14409 setup_particle(_ParticleAdaptor pa, StructureProvenance o) -> StructureProvenance
14411 return _IMP_core.StructureProvenance_setup_particle(*args)
14413 def add_attribute(self, *args):
14415 add_attribute(StructureProvenance self, FloatKey k, IMP::Float v, bool opt)
14416 add_attribute(StructureProvenance self, FloatKey a0, IMP::Float a1)
14417 add_attribute(StructureProvenance self, IntKey a0, IMP::Int a1)
14418 add_attribute(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14419 add_attribute(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14420 add_attribute(StructureProvenance self, StringKey a0, IMP::String a1)
14421 add_attribute(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14422 add_attribute(StructureProvenance self, ObjectKey a0, Object a1)
14423 add_attribute(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14424 add_attribute(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14425 add_attribute(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14426 add_attribute(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14428 return _IMP_core.StructureProvenance_add_attribute(self, *args)
14430 def get_value(self, *args):
14432 get_value(StructureProvenance self, FloatKey a0) -> IMP::Float
14433 get_value(StructureProvenance self, IntKey a0) -> IMP::Int
14434 get_value(StructureProvenance self, FloatsKey a0) -> IMP::Floats
14435 get_value(StructureProvenance self, IntsKey a0) -> IMP::Ints
14436 get_value(StructureProvenance self, StringKey a0) -> IMP::String
14437 get_value(StructureProvenance self, ParticleIndexKey a0) -> Particle
14438 get_value(StructureProvenance self, ObjectKey a0) -> Object
14439 get_value(StructureProvenance self, SparseFloatKey a0) -> IMP::Float
14440 get_value(StructureProvenance self, SparseIntKey a0) -> IMP::Int
14441 get_value(StructureProvenance self, SparseStringKey a0) -> IMP::String
14442 get_value(StructureProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14444 return _IMP_core.StructureProvenance_get_value(self, *args)
14446 def set_value(self, *args):
14448 set_value(StructureProvenance self, FloatKey a0, IMP::Float a1)
14449 set_value(StructureProvenance self, IntKey a0, IMP::Int a1)
14450 set_value(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14451 set_value(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14452 set_value(StructureProvenance self, StringKey a0, IMP::String a1)
14453 set_value(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14454 set_value(StructureProvenance self, ObjectKey a0, Object a1)
14455 set_value(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14456 set_value(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14457 set_value(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14458 set_value(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14460 return _IMP_core.StructureProvenance_set_value(self, *args)
14462 def remove_attribute(self, *args):
14464 remove_attribute(StructureProvenance self, FloatKey a0)
14465 remove_attribute(StructureProvenance self, IntKey a0)
14466 remove_attribute(StructureProvenance self, FloatsKey a0)
14467 remove_attribute(StructureProvenance self, IntsKey a0)
14468 remove_attribute(StructureProvenance self, StringKey a0)
14469 remove_attribute(StructureProvenance self, ParticleIndexKey a0)
14470 remove_attribute(StructureProvenance self, ObjectKey a0)
14471 remove_attribute(StructureProvenance self, SparseFloatKey a0)
14472 remove_attribute(StructureProvenance self, SparseIntKey a0)
14473 remove_attribute(StructureProvenance self, SparseStringKey a0)
14474 remove_attribute(StructureProvenance self, SparseParticleIndexKey a0)
14476 return _IMP_core.StructureProvenance_remove_attribute(self, *args)
14478 def has_attribute(self, *args):
14480 has_attribute(StructureProvenance self, FloatKey a0) -> bool
14481 has_attribute(StructureProvenance self, IntKey a0) -> bool
14482 has_attribute(StructureProvenance self, FloatsKey a0) -> bool
14483 has_attribute(StructureProvenance self, IntsKey a0) -> bool
14484 has_attribute(StructureProvenance self, StringKey a0) -> bool
14485 has_attribute(StructureProvenance self, ParticleIndexKey a0) -> bool
14486 has_attribute(StructureProvenance self, ObjectKey a0) -> bool
14487 has_attribute(StructureProvenance self, SparseFloatKey a0) -> bool
14488 has_attribute(StructureProvenance self, SparseIntKey a0) -> bool
14489 has_attribute(StructureProvenance self, SparseStringKey a0) -> bool
14490 has_attribute(StructureProvenance self, SparseParticleIndexKey a0) -> bool
14492 return _IMP_core.StructureProvenance_has_attribute(self, *args)
14494 def get_derivative(self, a0):
14495 r"""get_derivative(StructureProvenance self, FloatKey a0) -> double"""
14496 return _IMP_core.StructureProvenance_get_derivative(self, a0)
14498 def get_name(self):
14499 r"""get_name(StructureProvenance self) -> std::string"""
14500 return _IMP_core.StructureProvenance_get_name(self)
14502 def clear_caches(self):
14503 r"""clear_caches(StructureProvenance self)"""
14504 return _IMP_core.StructureProvenance_clear_caches(self)
14506 def set_name(self, a0):
14507 r"""set_name(StructureProvenance self, std::string a0)"""
14508 return _IMP_core.StructureProvenance_set_name(self, a0)
14511 r"""set_check_level(StructureProvenance self, IMP::CheckLevel a0)"""
14512 return _IMP_core.StructureProvenance_set_check_level(self, a0)
14514 def add_to_derivative(self, a0, a1, a2):
14515 r"""add_to_derivative(StructureProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14516 return _IMP_core.StructureProvenance_add_to_derivative(self, a0, a1, a2)
14518 def set_is_optimized(self, a0, a1):
14519 r"""set_is_optimized(StructureProvenance self, FloatKey a0, bool a1)"""
14520 return _IMP_core.StructureProvenance_set_is_optimized(self, a0, a1)
14522 def get_is_optimized(self, a0):
14523 r"""get_is_optimized(StructureProvenance self, FloatKey a0) -> bool"""
14524 return _IMP_core.StructureProvenance_get_is_optimized(self, a0)
14527 r"""get_check_level(StructureProvenance self) -> IMP::CheckLevel"""
14528 return _IMP_core.StructureProvenance_get_check_level(self)
14530 def __eq__(self, *args):
14532 __eq__(StructureProvenance self, StructureProvenance o) -> bool
14533 __eq__(StructureProvenance self, Particle d) -> bool
14535 return _IMP_core.StructureProvenance___eq__(self, *args)
14537 def __ne__(self, *args):
14539 __ne__(StructureProvenance self, StructureProvenance o) -> bool
14540 __ne__(StructureProvenance self, Particle d) -> bool
14542 return _IMP_core.StructureProvenance___ne__(self, *args)
14544 def __le__(self, *args):
14546 __le__(StructureProvenance self, StructureProvenance o) -> bool
14547 __le__(StructureProvenance self, Particle d) -> bool
14549 return _IMP_core.StructureProvenance___le__(self, *args)
14551 def __lt__(self, *args):
14553 __lt__(StructureProvenance self, StructureProvenance o) -> bool
14554 __lt__(StructureProvenance self, Particle d) -> bool
14556 return _IMP_core.StructureProvenance___lt__(self, *args)
14558 def __ge__(self, *args):
14560 __ge__(StructureProvenance self, StructureProvenance o) -> bool
14561 __ge__(StructureProvenance self, Particle d) -> bool
14563 return _IMP_core.StructureProvenance___ge__(self, *args)
14565 def __gt__(self, *args):
14567 __gt__(StructureProvenance self, StructureProvenance o) -> bool
14568 __gt__(StructureProvenance self, Particle d) -> bool
14570 return _IMP_core.StructureProvenance___gt__(self, *args)
14572 def __hash__(self):
14573 r"""__hash__(StructureProvenance self) -> std::size_t"""
14574 return _IMP_core.StructureProvenance___hash__(self)
14577 r"""__str__(StructureProvenance self) -> std::string"""
14578 return _IMP_core.StructureProvenance___str__(self)
14580 def __repr__(self):
14581 r"""__repr__(StructureProvenance self) -> std::string"""
14582 return _IMP_core.StructureProvenance___repr__(self)
14584 def _get_as_binary(self):
14585 r"""_get_as_binary(StructureProvenance self) -> PyObject *"""
14586 return _IMP_core.StructureProvenance__get_as_binary(self)
14588 def _set_from_binary(self, p):
14589 r"""_set_from_binary(StructureProvenance self, PyObject * p)"""
14590 return _IMP_core.StructureProvenance__set_from_binary(self, p)
14592 def __getstate__(self):
14593 p = self._get_as_binary()
14594 if len(self.__dict__) > 1:
14595 d = self.__dict__.copy()
14600 def __setstate__(self, p):
14601 if not hasattr(self,
'this'):
14603 if isinstance(p, tuple):
14605 self.__dict__.update(d)
14606 return self._set_from_binary(p)
14608 __swig_destroy__ = _IMP_core.delete_StructureProvenance
14611 _IMP_core.StructureProvenance_swigregister(StructureProvenance)
14612 class SampleProvenance(Provenance):
14613 r"""Proxy of C++ IMP::core::SampleProvenance class."""
14615 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14617 def set_method(self, method):
14618 r"""set_method(SampleProvenance self, std::string method)"""
14619 return _IMP_core.SampleProvenance_set_method(self, method)
14621 def get_method(self):
14622 r"""get_method(SampleProvenance self) -> std::string"""
14623 return _IMP_core.SampleProvenance_get_method(self)
14625 def set_number_of_frames(self, frames):
14626 r"""set_number_of_frames(SampleProvenance self, int frames)"""
14627 return _IMP_core.SampleProvenance_set_number_of_frames(self, frames)
14630 r"""get_number_of_frames(SampleProvenance self) -> int"""
14631 return _IMP_core.SampleProvenance_get_number_of_frames(self)
14633 def set_number_of_iterations(self, iterations):
14634 r"""set_number_of_iterations(SampleProvenance self, int iterations)"""
14635 return _IMP_core.SampleProvenance_set_number_of_iterations(self, iterations)
14637 def get_number_of_iterations(self):
14638 r"""get_number_of_iterations(SampleProvenance self) -> int"""
14639 return _IMP_core.SampleProvenance_get_number_of_iterations(self)
14641 def set_number_of_replicas(self, replicas):
14642 r"""set_number_of_replicas(SampleProvenance self, int replicas)"""
14643 return _IMP_core.SampleProvenance_set_number_of_replicas(self, replicas)
14645 def get_number_of_replicas(self):
14646 r"""get_number_of_replicas(SampleProvenance self) -> int"""
14647 return _IMP_core.SampleProvenance_get_number_of_replicas(self)
14649 def __init__(self, *args):
14651 __init__(SampleProvenance self) -> SampleProvenance
14652 __init__(SampleProvenance self, Model m, ParticleIndex id) -> SampleProvenance
14653 __init__(SampleProvenance self, _ParticleAdaptor d) -> SampleProvenance
14655 _IMP_core.SampleProvenance_swiginit(self, _IMP_core.new_SampleProvenance(*args))
14658 def get_is_setup(*args):
14660 get_is_setup(Model m, ParticleIndex pi) -> bool
14661 get_is_setup(_ParticleAdaptor p) -> bool
14663 return _IMP_core.SampleProvenance_get_is_setup(*args)
14665 def show(self, *args):
14666 r"""show(SampleProvenance self, _ostream out=std::cout)"""
14667 return _IMP_core.SampleProvenance_show(self, *args)
14670 def setup_particle(*args):
14672 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
14673 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
14674 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations) -> SampleProvenance
14675 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations) -> SampleProvenance
14676 setup_particle(Model m, ParticleIndex pi, SampleProvenance o) -> SampleProvenance
14677 setup_particle(_ParticleAdaptor pa, SampleProvenance o) -> SampleProvenance
14679 return _IMP_core.SampleProvenance_setup_particle(*args)
14681 def add_attribute(self, *args):
14683 add_attribute(SampleProvenance self, FloatKey k, IMP::Float v, bool opt)
14684 add_attribute(SampleProvenance self, FloatKey a0, IMP::Float a1)
14685 add_attribute(SampleProvenance self, IntKey a0, IMP::Int a1)
14686 add_attribute(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
14687 add_attribute(SampleProvenance self, IntsKey a0, IMP::Ints a1)
14688 add_attribute(SampleProvenance self, StringKey a0, IMP::String a1)
14689 add_attribute(SampleProvenance self, ParticleIndexKey a0, Particle a1)
14690 add_attribute(SampleProvenance self, ObjectKey a0, Object a1)
14691 add_attribute(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
14692 add_attribute(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
14693 add_attribute(SampleProvenance self, SparseStringKey a0, IMP::String a1)
14694 add_attribute(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14696 return _IMP_core.SampleProvenance_add_attribute(self, *args)
14698 def get_value(self, *args):
14700 get_value(SampleProvenance self, FloatKey a0) -> IMP::Float
14701 get_value(SampleProvenance self, IntKey a0) -> IMP::Int
14702 get_value(SampleProvenance self, FloatsKey a0) -> IMP::Floats
14703 get_value(SampleProvenance self, IntsKey a0) -> IMP::Ints
14704 get_value(SampleProvenance self, StringKey a0) -> IMP::String
14705 get_value(SampleProvenance self, ParticleIndexKey a0) -> Particle
14706 get_value(SampleProvenance self, ObjectKey a0) -> Object
14707 get_value(SampleProvenance self, SparseFloatKey a0) -> IMP::Float
14708 get_value(SampleProvenance self, SparseIntKey a0) -> IMP::Int
14709 get_value(SampleProvenance self, SparseStringKey a0) -> IMP::String
14710 get_value(SampleProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14712 return _IMP_core.SampleProvenance_get_value(self, *args)
14714 def set_value(self, *args):
14716 set_value(SampleProvenance self, FloatKey a0, IMP::Float a1)
14717 set_value(SampleProvenance self, IntKey a0, IMP::Int a1)
14718 set_value(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
14719 set_value(SampleProvenance self, IntsKey a0, IMP::Ints a1)
14720 set_value(SampleProvenance self, StringKey a0, IMP::String a1)
14721 set_value(SampleProvenance self, ParticleIndexKey a0, Particle a1)
14722 set_value(SampleProvenance self, ObjectKey a0, Object a1)
14723 set_value(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
14724 set_value(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
14725 set_value(SampleProvenance self, SparseStringKey a0, IMP::String a1)
14726 set_value(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14728 return _IMP_core.SampleProvenance_set_value(self, *args)
14730 def remove_attribute(self, *args):
14732 remove_attribute(SampleProvenance self, FloatKey a0)
14733 remove_attribute(SampleProvenance self, IntKey a0)
14734 remove_attribute(SampleProvenance self, FloatsKey a0)
14735 remove_attribute(SampleProvenance self, IntsKey a0)
14736 remove_attribute(SampleProvenance self, StringKey a0)
14737 remove_attribute(SampleProvenance self, ParticleIndexKey a0)
14738 remove_attribute(SampleProvenance self, ObjectKey a0)
14739 remove_attribute(SampleProvenance self, SparseFloatKey a0)
14740 remove_attribute(SampleProvenance self, SparseIntKey a0)
14741 remove_attribute(SampleProvenance self, SparseStringKey a0)
14742 remove_attribute(SampleProvenance self, SparseParticleIndexKey a0)
14744 return _IMP_core.SampleProvenance_remove_attribute(self, *args)
14746 def has_attribute(self, *args):
14748 has_attribute(SampleProvenance self, FloatKey a0) -> bool
14749 has_attribute(SampleProvenance self, IntKey a0) -> bool
14750 has_attribute(SampleProvenance self, FloatsKey a0) -> bool
14751 has_attribute(SampleProvenance self, IntsKey a0) -> bool
14752 has_attribute(SampleProvenance self, StringKey a0) -> bool
14753 has_attribute(SampleProvenance self, ParticleIndexKey a0) -> bool
14754 has_attribute(SampleProvenance self, ObjectKey a0) -> bool
14755 has_attribute(SampleProvenance self, SparseFloatKey a0) -> bool
14756 has_attribute(SampleProvenance self, SparseIntKey a0) -> bool
14757 has_attribute(SampleProvenance self, SparseStringKey a0) -> bool
14758 has_attribute(SampleProvenance self, SparseParticleIndexKey a0) -> bool
14760 return _IMP_core.SampleProvenance_has_attribute(self, *args)
14762 def get_derivative(self, a0):
14763 r"""get_derivative(SampleProvenance self, FloatKey a0) -> double"""
14764 return _IMP_core.SampleProvenance_get_derivative(self, a0)
14766 def get_name(self):
14767 r"""get_name(SampleProvenance self) -> std::string"""
14768 return _IMP_core.SampleProvenance_get_name(self)
14770 def clear_caches(self):
14771 r"""clear_caches(SampleProvenance self)"""
14772 return _IMP_core.SampleProvenance_clear_caches(self)
14774 def set_name(self, a0):
14775 r"""set_name(SampleProvenance self, std::string a0)"""
14776 return _IMP_core.SampleProvenance_set_name(self, a0)
14779 r"""set_check_level(SampleProvenance self, IMP::CheckLevel a0)"""
14780 return _IMP_core.SampleProvenance_set_check_level(self, a0)
14782 def add_to_derivative(self, a0, a1, a2):
14783 r"""add_to_derivative(SampleProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14784 return _IMP_core.SampleProvenance_add_to_derivative(self, a0, a1, a2)
14786 def set_is_optimized(self, a0, a1):
14787 r"""set_is_optimized(SampleProvenance self, FloatKey a0, bool a1)"""
14788 return _IMP_core.SampleProvenance_set_is_optimized(self, a0, a1)
14790 def get_is_optimized(self, a0):
14791 r"""get_is_optimized(SampleProvenance self, FloatKey a0) -> bool"""
14792 return _IMP_core.SampleProvenance_get_is_optimized(self, a0)
14795 r"""get_check_level(SampleProvenance self) -> IMP::CheckLevel"""
14796 return _IMP_core.SampleProvenance_get_check_level(self)
14798 def __eq__(self, *args):
14800 __eq__(SampleProvenance self, SampleProvenance o) -> bool
14801 __eq__(SampleProvenance self, Particle d) -> bool
14803 return _IMP_core.SampleProvenance___eq__(self, *args)
14805 def __ne__(self, *args):
14807 __ne__(SampleProvenance self, SampleProvenance o) -> bool
14808 __ne__(SampleProvenance self, Particle d) -> bool
14810 return _IMP_core.SampleProvenance___ne__(self, *args)
14812 def __le__(self, *args):
14814 __le__(SampleProvenance self, SampleProvenance o) -> bool
14815 __le__(SampleProvenance self, Particle d) -> bool
14817 return _IMP_core.SampleProvenance___le__(self, *args)
14819 def __lt__(self, *args):
14821 __lt__(SampleProvenance self, SampleProvenance o) -> bool
14822 __lt__(SampleProvenance self, Particle d) -> bool
14824 return _IMP_core.SampleProvenance___lt__(self, *args)
14826 def __ge__(self, *args):
14828 __ge__(SampleProvenance self, SampleProvenance o) -> bool
14829 __ge__(SampleProvenance self, Particle d) -> bool
14831 return _IMP_core.SampleProvenance___ge__(self, *args)
14833 def __gt__(self, *args):
14835 __gt__(SampleProvenance self, SampleProvenance o) -> bool
14836 __gt__(SampleProvenance self, Particle d) -> bool
14838 return _IMP_core.SampleProvenance___gt__(self, *args)
14840 def __hash__(self):
14841 r"""__hash__(SampleProvenance self) -> std::size_t"""
14842 return _IMP_core.SampleProvenance___hash__(self)
14845 r"""__str__(SampleProvenance self) -> std::string"""
14846 return _IMP_core.SampleProvenance___str__(self)
14848 def __repr__(self):
14849 r"""__repr__(SampleProvenance self) -> std::string"""
14850 return _IMP_core.SampleProvenance___repr__(self)
14852 def _get_as_binary(self):
14853 r"""_get_as_binary(SampleProvenance self) -> PyObject *"""
14854 return _IMP_core.SampleProvenance__get_as_binary(self)
14856 def _set_from_binary(self, p):
14857 r"""_set_from_binary(SampleProvenance self, PyObject * p)"""
14858 return _IMP_core.SampleProvenance__set_from_binary(self, p)
14860 def __getstate__(self):
14861 p = self._get_as_binary()
14862 if len(self.__dict__) > 1:
14863 d = self.__dict__.copy()
14868 def __setstate__(self, p):
14869 if not hasattr(self,
'this'):
14871 if isinstance(p, tuple):
14873 self.__dict__.update(d)
14874 return self._set_from_binary(p)
14876 __swig_destroy__ = _IMP_core.delete_SampleProvenance
14879 _IMP_core.SampleProvenance_swigregister(SampleProvenance)
14880 class CombineProvenance(Provenance):
14881 r"""Proxy of C++ IMP::core::CombineProvenance class."""
14883 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14885 def set_number_of_frames(self, frames):
14886 r"""set_number_of_frames(CombineProvenance self, int frames)"""
14887 return _IMP_core.CombineProvenance_set_number_of_frames(self, frames)
14890 r"""get_number_of_frames(CombineProvenance self) -> int"""
14891 return _IMP_core.CombineProvenance_get_number_of_frames(self)
14893 def set_number_of_runs(self, runs):
14894 r"""set_number_of_runs(CombineProvenance self, int runs)"""
14895 return _IMP_core.CombineProvenance_set_number_of_runs(self, runs)
14897 def get_number_of_runs(self):
14898 r"""get_number_of_runs(CombineProvenance self) -> int"""
14899 return _IMP_core.CombineProvenance_get_number_of_runs(self)
14901 def __init__(self, *args):
14903 __init__(CombineProvenance self) -> CombineProvenance
14904 __init__(CombineProvenance self, Model m, ParticleIndex id) -> CombineProvenance
14905 __init__(CombineProvenance self, _ParticleAdaptor d) -> CombineProvenance
14907 _IMP_core.CombineProvenance_swiginit(self, _IMP_core.new_CombineProvenance(*args))
14910 def get_is_setup(*args):
14912 get_is_setup(Model m, ParticleIndex pi) -> bool
14913 get_is_setup(_ParticleAdaptor p) -> bool
14915 return _IMP_core.CombineProvenance_get_is_setup(*args)
14917 def show(self, *args):
14918 r"""show(CombineProvenance self, _ostream out=std::cout)"""
14919 return _IMP_core.CombineProvenance_show(self, *args)
14922 def setup_particle(*args):
14924 setup_particle(Model m, ParticleIndex pi, int runs, int frames) -> CombineProvenance
14925 setup_particle(_ParticleAdaptor pa, int runs, int frames) -> CombineProvenance
14926 setup_particle(Model m, ParticleIndex pi, CombineProvenance o) -> CombineProvenance
14927 setup_particle(_ParticleAdaptor pa, CombineProvenance o) -> CombineProvenance
14929 return _IMP_core.CombineProvenance_setup_particle(*args)
14931 def add_attribute(self, *args):
14933 add_attribute(CombineProvenance self, FloatKey k, IMP::Float v, bool opt)
14934 add_attribute(CombineProvenance self, FloatKey a0, IMP::Float a1)
14935 add_attribute(CombineProvenance self, IntKey a0, IMP::Int a1)
14936 add_attribute(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
14937 add_attribute(CombineProvenance self, IntsKey a0, IMP::Ints a1)
14938 add_attribute(CombineProvenance self, StringKey a0, IMP::String a1)
14939 add_attribute(CombineProvenance self, ParticleIndexKey a0, Particle a1)
14940 add_attribute(CombineProvenance self, ObjectKey a0, Object a1)
14941 add_attribute(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
14942 add_attribute(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
14943 add_attribute(CombineProvenance self, SparseStringKey a0, IMP::String a1)
14944 add_attribute(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14946 return _IMP_core.CombineProvenance_add_attribute(self, *args)
14948 def get_value(self, *args):
14950 get_value(CombineProvenance self, FloatKey a0) -> IMP::Float
14951 get_value(CombineProvenance self, IntKey a0) -> IMP::Int
14952 get_value(CombineProvenance self, FloatsKey a0) -> IMP::Floats
14953 get_value(CombineProvenance self, IntsKey a0) -> IMP::Ints
14954 get_value(CombineProvenance self, StringKey a0) -> IMP::String
14955 get_value(CombineProvenance self, ParticleIndexKey a0) -> Particle
14956 get_value(CombineProvenance self, ObjectKey a0) -> Object
14957 get_value(CombineProvenance self, SparseFloatKey a0) -> IMP::Float
14958 get_value(CombineProvenance self, SparseIntKey a0) -> IMP::Int
14959 get_value(CombineProvenance self, SparseStringKey a0) -> IMP::String
14960 get_value(CombineProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14962 return _IMP_core.CombineProvenance_get_value(self, *args)
14964 def set_value(self, *args):
14966 set_value(CombineProvenance self, FloatKey a0, IMP::Float a1)
14967 set_value(CombineProvenance self, IntKey a0, IMP::Int a1)
14968 set_value(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
14969 set_value(CombineProvenance self, IntsKey a0, IMP::Ints a1)
14970 set_value(CombineProvenance self, StringKey a0, IMP::String a1)
14971 set_value(CombineProvenance self, ParticleIndexKey a0, Particle a1)
14972 set_value(CombineProvenance self, ObjectKey a0, Object a1)
14973 set_value(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
14974 set_value(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
14975 set_value(CombineProvenance self, SparseStringKey a0, IMP::String a1)
14976 set_value(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14978 return _IMP_core.CombineProvenance_set_value(self, *args)
14980 def remove_attribute(self, *args):
14982 remove_attribute(CombineProvenance self, FloatKey a0)
14983 remove_attribute(CombineProvenance self, IntKey a0)
14984 remove_attribute(CombineProvenance self, FloatsKey a0)
14985 remove_attribute(CombineProvenance self, IntsKey a0)
14986 remove_attribute(CombineProvenance self, StringKey a0)
14987 remove_attribute(CombineProvenance self, ParticleIndexKey a0)
14988 remove_attribute(CombineProvenance self, ObjectKey a0)
14989 remove_attribute(CombineProvenance self, SparseFloatKey a0)
14990 remove_attribute(CombineProvenance self, SparseIntKey a0)
14991 remove_attribute(CombineProvenance self, SparseStringKey a0)
14992 remove_attribute(CombineProvenance self, SparseParticleIndexKey a0)
14994 return _IMP_core.CombineProvenance_remove_attribute(self, *args)
14996 def has_attribute(self, *args):
14998 has_attribute(CombineProvenance self, FloatKey a0) -> bool
14999 has_attribute(CombineProvenance self, IntKey a0) -> bool
15000 has_attribute(CombineProvenance self, FloatsKey a0) -> bool
15001 has_attribute(CombineProvenance self, IntsKey a0) -> bool
15002 has_attribute(CombineProvenance self, StringKey a0) -> bool
15003 has_attribute(CombineProvenance self, ParticleIndexKey a0) -> bool
15004 has_attribute(CombineProvenance self, ObjectKey a0) -> bool
15005 has_attribute(CombineProvenance self, SparseFloatKey a0) -> bool
15006 has_attribute(CombineProvenance self, SparseIntKey a0) -> bool
15007 has_attribute(CombineProvenance self, SparseStringKey a0) -> bool
15008 has_attribute(CombineProvenance self, SparseParticleIndexKey a0) -> bool
15010 return _IMP_core.CombineProvenance_has_attribute(self, *args)
15012 def get_derivative(self, a0):
15013 r"""get_derivative(CombineProvenance self, FloatKey a0) -> double"""
15014 return _IMP_core.CombineProvenance_get_derivative(self, a0)
15016 def get_name(self):
15017 r"""get_name(CombineProvenance self) -> std::string"""
15018 return _IMP_core.CombineProvenance_get_name(self)
15020 def clear_caches(self):
15021 r"""clear_caches(CombineProvenance self)"""
15022 return _IMP_core.CombineProvenance_clear_caches(self)
15024 def set_name(self, a0):
15025 r"""set_name(CombineProvenance self, std::string a0)"""
15026 return _IMP_core.CombineProvenance_set_name(self, a0)
15029 r"""set_check_level(CombineProvenance self, IMP::CheckLevel a0)"""
15030 return _IMP_core.CombineProvenance_set_check_level(self, a0)
15032 def add_to_derivative(self, a0, a1, a2):
15033 r"""add_to_derivative(CombineProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15034 return _IMP_core.CombineProvenance_add_to_derivative(self, a0, a1, a2)
15036 def set_is_optimized(self, a0, a1):
15037 r"""set_is_optimized(CombineProvenance self, FloatKey a0, bool a1)"""
15038 return _IMP_core.CombineProvenance_set_is_optimized(self, a0, a1)
15040 def get_is_optimized(self, a0):
15041 r"""get_is_optimized(CombineProvenance self, FloatKey a0) -> bool"""
15042 return _IMP_core.CombineProvenance_get_is_optimized(self, a0)
15045 r"""get_check_level(CombineProvenance self) -> IMP::CheckLevel"""
15046 return _IMP_core.CombineProvenance_get_check_level(self)
15048 def __eq__(self, *args):
15050 __eq__(CombineProvenance self, CombineProvenance o) -> bool
15051 __eq__(CombineProvenance self, Particle d) -> bool
15053 return _IMP_core.CombineProvenance___eq__(self, *args)
15055 def __ne__(self, *args):
15057 __ne__(CombineProvenance self, CombineProvenance o) -> bool
15058 __ne__(CombineProvenance self, Particle d) -> bool
15060 return _IMP_core.CombineProvenance___ne__(self, *args)
15062 def __le__(self, *args):
15064 __le__(CombineProvenance self, CombineProvenance o) -> bool
15065 __le__(CombineProvenance self, Particle d) -> bool
15067 return _IMP_core.CombineProvenance___le__(self, *args)
15069 def __lt__(self, *args):
15071 __lt__(CombineProvenance self, CombineProvenance o) -> bool
15072 __lt__(CombineProvenance self, Particle d) -> bool
15074 return _IMP_core.CombineProvenance___lt__(self, *args)
15076 def __ge__(self, *args):
15078 __ge__(CombineProvenance self, CombineProvenance o) -> bool
15079 __ge__(CombineProvenance self, Particle d) -> bool
15081 return _IMP_core.CombineProvenance___ge__(self, *args)
15083 def __gt__(self, *args):
15085 __gt__(CombineProvenance self, CombineProvenance o) -> bool
15086 __gt__(CombineProvenance self, Particle d) -> bool
15088 return _IMP_core.CombineProvenance___gt__(self, *args)
15090 def __hash__(self):
15091 r"""__hash__(CombineProvenance self) -> std::size_t"""
15092 return _IMP_core.CombineProvenance___hash__(self)
15095 r"""__str__(CombineProvenance self) -> std::string"""
15096 return _IMP_core.CombineProvenance___str__(self)
15098 def __repr__(self):
15099 r"""__repr__(CombineProvenance self) -> std::string"""
15100 return _IMP_core.CombineProvenance___repr__(self)
15102 def _get_as_binary(self):
15103 r"""_get_as_binary(CombineProvenance self) -> PyObject *"""
15104 return _IMP_core.CombineProvenance__get_as_binary(self)
15106 def _set_from_binary(self, p):
15107 r"""_set_from_binary(CombineProvenance self, PyObject * p)"""
15108 return _IMP_core.CombineProvenance__set_from_binary(self, p)
15110 def __getstate__(self):
15111 p = self._get_as_binary()
15112 if len(self.__dict__) > 1:
15113 d = self.__dict__.copy()
15118 def __setstate__(self, p):
15119 if not hasattr(self,
'this'):
15121 if isinstance(p, tuple):
15123 self.__dict__.update(d)
15124 return self._set_from_binary(p)
15126 __swig_destroy__ = _IMP_core.delete_CombineProvenance
15129 _IMP_core.CombineProvenance_swigregister(CombineProvenance)
15130 class FilterProvenance(Provenance):
15131 r"""Proxy of C++ IMP::core::FilterProvenance class."""
15133 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15135 def set_method(self, method):
15136 r"""set_method(FilterProvenance self, std::string method)"""
15137 return _IMP_core.FilterProvenance_set_method(self, method)
15139 def get_method(self):
15140 r"""get_method(FilterProvenance self) -> std::string"""
15141 return _IMP_core.FilterProvenance_get_method(self)
15143 def set_number_of_frames(self, frames):
15144 r"""set_number_of_frames(FilterProvenance self, int frames)"""
15145 return _IMP_core.FilterProvenance_set_number_of_frames(self, frames)
15148 r"""get_number_of_frames(FilterProvenance self) -> int"""
15149 return _IMP_core.FilterProvenance_get_number_of_frames(self)
15151 def set_threshold(self, threshold):
15152 r"""set_threshold(FilterProvenance self, double threshold)"""
15153 return _IMP_core.FilterProvenance_set_threshold(self, threshold)
15155 def get_threshold(self):
15156 r"""get_threshold(FilterProvenance self) -> double"""
15157 return _IMP_core.FilterProvenance_get_threshold(self)
15159 def __init__(self, *args):
15161 __init__(FilterProvenance self) -> FilterProvenance
15162 __init__(FilterProvenance self, Model m, ParticleIndex id) -> FilterProvenance
15163 __init__(FilterProvenance self, _ParticleAdaptor d) -> FilterProvenance
15165 _IMP_core.FilterProvenance_swiginit(self, _IMP_core.new_FilterProvenance(*args))
15168 def get_is_setup(*args):
15170 get_is_setup(Model m, ParticleIndex pi) -> bool
15171 get_is_setup(_ParticleAdaptor p) -> bool
15173 return _IMP_core.FilterProvenance_get_is_setup(*args)
15175 def show(self, *args):
15176 r"""show(FilterProvenance self, _ostream out=std::cout)"""
15177 return _IMP_core.FilterProvenance_show(self, *args)
15180 def setup_particle(*args):
15182 setup_particle(Model m, ParticleIndex pi, std::string method, double threshold, int frames) -> FilterProvenance
15183 setup_particle(_ParticleAdaptor pa, std::string method, double threshold, int frames) -> FilterProvenance
15184 setup_particle(Model m, ParticleIndex pi, FilterProvenance o) -> FilterProvenance
15185 setup_particle(_ParticleAdaptor pa, FilterProvenance o) -> FilterProvenance
15187 return _IMP_core.FilterProvenance_setup_particle(*args)
15189 def add_attribute(self, *args):
15191 add_attribute(FilterProvenance self, FloatKey k, IMP::Float v, bool opt)
15192 add_attribute(FilterProvenance self, FloatKey a0, IMP::Float a1)
15193 add_attribute(FilterProvenance self, IntKey a0, IMP::Int a1)
15194 add_attribute(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
15195 add_attribute(FilterProvenance self, IntsKey a0, IMP::Ints a1)
15196 add_attribute(FilterProvenance self, StringKey a0, IMP::String a1)
15197 add_attribute(FilterProvenance self, ParticleIndexKey a0, Particle a1)
15198 add_attribute(FilterProvenance self, ObjectKey a0, Object a1)
15199 add_attribute(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
15200 add_attribute(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
15201 add_attribute(FilterProvenance self, SparseStringKey a0, IMP::String a1)
15202 add_attribute(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15204 return _IMP_core.FilterProvenance_add_attribute(self, *args)
15206 def get_value(self, *args):
15208 get_value(FilterProvenance self, FloatKey a0) -> IMP::Float
15209 get_value(FilterProvenance self, IntKey a0) -> IMP::Int
15210 get_value(FilterProvenance self, FloatsKey a0) -> IMP::Floats
15211 get_value(FilterProvenance self, IntsKey a0) -> IMP::Ints
15212 get_value(FilterProvenance self, StringKey a0) -> IMP::String
15213 get_value(FilterProvenance self, ParticleIndexKey a0) -> Particle
15214 get_value(FilterProvenance self, ObjectKey a0) -> Object
15215 get_value(FilterProvenance self, SparseFloatKey a0) -> IMP::Float
15216 get_value(FilterProvenance self, SparseIntKey a0) -> IMP::Int
15217 get_value(FilterProvenance self, SparseStringKey a0) -> IMP::String
15218 get_value(FilterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15220 return _IMP_core.FilterProvenance_get_value(self, *args)
15222 def set_value(self, *args):
15224 set_value(FilterProvenance self, FloatKey a0, IMP::Float a1)
15225 set_value(FilterProvenance self, IntKey a0, IMP::Int a1)
15226 set_value(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
15227 set_value(FilterProvenance self, IntsKey a0, IMP::Ints a1)
15228 set_value(FilterProvenance self, StringKey a0, IMP::String a1)
15229 set_value(FilterProvenance self, ParticleIndexKey a0, Particle a1)
15230 set_value(FilterProvenance self, ObjectKey a0, Object a1)
15231 set_value(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
15232 set_value(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
15233 set_value(FilterProvenance self, SparseStringKey a0, IMP::String a1)
15234 set_value(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15236 return _IMP_core.FilterProvenance_set_value(self, *args)
15238 def remove_attribute(self, *args):
15240 remove_attribute(FilterProvenance self, FloatKey a0)
15241 remove_attribute(FilterProvenance self, IntKey a0)
15242 remove_attribute(FilterProvenance self, FloatsKey a0)
15243 remove_attribute(FilterProvenance self, IntsKey a0)
15244 remove_attribute(FilterProvenance self, StringKey a0)
15245 remove_attribute(FilterProvenance self, ParticleIndexKey a0)
15246 remove_attribute(FilterProvenance self, ObjectKey a0)
15247 remove_attribute(FilterProvenance self, SparseFloatKey a0)
15248 remove_attribute(FilterProvenance self, SparseIntKey a0)
15249 remove_attribute(FilterProvenance self, SparseStringKey a0)
15250 remove_attribute(FilterProvenance self, SparseParticleIndexKey a0)
15252 return _IMP_core.FilterProvenance_remove_attribute(self, *args)
15254 def has_attribute(self, *args):
15256 has_attribute(FilterProvenance self, FloatKey a0) -> bool
15257 has_attribute(FilterProvenance self, IntKey a0) -> bool
15258 has_attribute(FilterProvenance self, FloatsKey a0) -> bool
15259 has_attribute(FilterProvenance self, IntsKey a0) -> bool
15260 has_attribute(FilterProvenance self, StringKey a0) -> bool
15261 has_attribute(FilterProvenance self, ParticleIndexKey a0) -> bool
15262 has_attribute(FilterProvenance self, ObjectKey a0) -> bool
15263 has_attribute(FilterProvenance self, SparseFloatKey a0) -> bool
15264 has_attribute(FilterProvenance self, SparseIntKey a0) -> bool
15265 has_attribute(FilterProvenance self, SparseStringKey a0) -> bool
15266 has_attribute(FilterProvenance self, SparseParticleIndexKey a0) -> bool
15268 return _IMP_core.FilterProvenance_has_attribute(self, *args)
15270 def get_derivative(self, a0):
15271 r"""get_derivative(FilterProvenance self, FloatKey a0) -> double"""
15272 return _IMP_core.FilterProvenance_get_derivative(self, a0)
15274 def get_name(self):
15275 r"""get_name(FilterProvenance self) -> std::string"""
15276 return _IMP_core.FilterProvenance_get_name(self)
15278 def clear_caches(self):
15279 r"""clear_caches(FilterProvenance self)"""
15280 return _IMP_core.FilterProvenance_clear_caches(self)
15282 def set_name(self, a0):
15283 r"""set_name(FilterProvenance self, std::string a0)"""
15284 return _IMP_core.FilterProvenance_set_name(self, a0)
15287 r"""set_check_level(FilterProvenance self, IMP::CheckLevel a0)"""
15288 return _IMP_core.FilterProvenance_set_check_level(self, a0)
15290 def add_to_derivative(self, a0, a1, a2):
15291 r"""add_to_derivative(FilterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15292 return _IMP_core.FilterProvenance_add_to_derivative(self, a0, a1, a2)
15294 def set_is_optimized(self, a0, a1):
15295 r"""set_is_optimized(FilterProvenance self, FloatKey a0, bool a1)"""
15296 return _IMP_core.FilterProvenance_set_is_optimized(self, a0, a1)
15298 def get_is_optimized(self, a0):
15299 r"""get_is_optimized(FilterProvenance self, FloatKey a0) -> bool"""
15300 return _IMP_core.FilterProvenance_get_is_optimized(self, a0)
15303 r"""get_check_level(FilterProvenance self) -> IMP::CheckLevel"""
15304 return _IMP_core.FilterProvenance_get_check_level(self)
15306 def __eq__(self, *args):
15308 __eq__(FilterProvenance self, FilterProvenance o) -> bool
15309 __eq__(FilterProvenance self, Particle d) -> bool
15311 return _IMP_core.FilterProvenance___eq__(self, *args)
15313 def __ne__(self, *args):
15315 __ne__(FilterProvenance self, FilterProvenance o) -> bool
15316 __ne__(FilterProvenance self, Particle d) -> bool
15318 return _IMP_core.FilterProvenance___ne__(self, *args)
15320 def __le__(self, *args):
15322 __le__(FilterProvenance self, FilterProvenance o) -> bool
15323 __le__(FilterProvenance self, Particle d) -> bool
15325 return _IMP_core.FilterProvenance___le__(self, *args)
15327 def __lt__(self, *args):
15329 __lt__(FilterProvenance self, FilterProvenance o) -> bool
15330 __lt__(FilterProvenance self, Particle d) -> bool
15332 return _IMP_core.FilterProvenance___lt__(self, *args)
15334 def __ge__(self, *args):
15336 __ge__(FilterProvenance self, FilterProvenance o) -> bool
15337 __ge__(FilterProvenance self, Particle d) -> bool
15339 return _IMP_core.FilterProvenance___ge__(self, *args)
15341 def __gt__(self, *args):
15343 __gt__(FilterProvenance self, FilterProvenance o) -> bool
15344 __gt__(FilterProvenance self, Particle d) -> bool
15346 return _IMP_core.FilterProvenance___gt__(self, *args)
15348 def __hash__(self):
15349 r"""__hash__(FilterProvenance self) -> std::size_t"""
15350 return _IMP_core.FilterProvenance___hash__(self)
15353 r"""__str__(FilterProvenance self) -> std::string"""
15354 return _IMP_core.FilterProvenance___str__(self)
15356 def __repr__(self):
15357 r"""__repr__(FilterProvenance self) -> std::string"""
15358 return _IMP_core.FilterProvenance___repr__(self)
15360 def _get_as_binary(self):
15361 r"""_get_as_binary(FilterProvenance self) -> PyObject *"""
15362 return _IMP_core.FilterProvenance__get_as_binary(self)
15364 def _set_from_binary(self, p):
15365 r"""_set_from_binary(FilterProvenance self, PyObject * p)"""
15366 return _IMP_core.FilterProvenance__set_from_binary(self, p)
15368 def __getstate__(self):
15369 p = self._get_as_binary()
15370 if len(self.__dict__) > 1:
15371 d = self.__dict__.copy()
15376 def __setstate__(self, p):
15377 if not hasattr(self,
'this'):
15379 if isinstance(p, tuple):
15381 self.__dict__.update(d)
15382 return self._set_from_binary(p)
15384 __swig_destroy__ = _IMP_core.delete_FilterProvenance
15387 _IMP_core.FilterProvenance_swigregister(FilterProvenance)
15388 class ClusterProvenance(Provenance):
15389 r"""Proxy of C++ IMP::core::ClusterProvenance class."""
15391 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15393 def set_number_of_members(self, members):
15394 r"""set_number_of_members(ClusterProvenance self, int members)"""
15395 return _IMP_core.ClusterProvenance_set_number_of_members(self, members)
15397 def get_number_of_members(self):
15398 r"""get_number_of_members(ClusterProvenance self) -> int"""
15399 return _IMP_core.ClusterProvenance_get_number_of_members(self)
15401 def set_precision(self, precision):
15402 r"""set_precision(ClusterProvenance self, double precision)"""
15403 return _IMP_core.ClusterProvenance_set_precision(self, precision)
15405 def get_precision(self):
15406 r"""get_precision(ClusterProvenance self) -> double"""
15407 return _IMP_core.ClusterProvenance_get_precision(self)
15409 def set_density(self, density):
15410 r"""set_density(ClusterProvenance self, std::string density)"""
15411 return _IMP_core.ClusterProvenance_set_density(self, density)
15413 def get_density(self):
15414 r"""get_density(ClusterProvenance self) -> std::string"""
15415 return _IMP_core.ClusterProvenance_get_density(self)
15417 def __init__(self, *args):
15419 __init__(ClusterProvenance self) -> ClusterProvenance
15420 __init__(ClusterProvenance self, Model m, ParticleIndex id) -> ClusterProvenance
15421 __init__(ClusterProvenance self, _ParticleAdaptor d) -> ClusterProvenance
15423 _IMP_core.ClusterProvenance_swiginit(self, _IMP_core.new_ClusterProvenance(*args))
15426 def get_is_setup(*args):
15428 get_is_setup(Model m, ParticleIndex pi) -> bool
15429 get_is_setup(_ParticleAdaptor p) -> bool
15431 return _IMP_core.ClusterProvenance_get_is_setup(*args)
15433 def show(self, *args):
15434 r"""show(ClusterProvenance self, _ostream out=std::cout)"""
15435 return _IMP_core.ClusterProvenance_show(self, *args)
15438 def setup_particle(*args):
15440 setup_particle(Model m, ParticleIndex pi, int members) -> ClusterProvenance
15441 setup_particle(_ParticleAdaptor pa, int members) -> ClusterProvenance
15442 setup_particle(Model m, ParticleIndex pi, int members, double precision) -> ClusterProvenance
15443 setup_particle(_ParticleAdaptor pa, int members, double precision) -> ClusterProvenance
15444 setup_particle(Model m, ParticleIndex pi, int members, double precision, std::string density) -> ClusterProvenance
15445 setup_particle(_ParticleAdaptor pa, int members, double precision, std::string density) -> ClusterProvenance
15446 setup_particle(Model m, ParticleIndex pi, ClusterProvenance o) -> ClusterProvenance
15447 setup_particle(_ParticleAdaptor pa, ClusterProvenance o) -> ClusterProvenance
15449 return _IMP_core.ClusterProvenance_setup_particle(*args)
15451 def add_attribute(self, *args):
15453 add_attribute(ClusterProvenance self, FloatKey k, IMP::Float v, bool opt)
15454 add_attribute(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15455 add_attribute(ClusterProvenance self, IntKey a0, IMP::Int a1)
15456 add_attribute(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15457 add_attribute(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15458 add_attribute(ClusterProvenance self, StringKey a0, IMP::String a1)
15459 add_attribute(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15460 add_attribute(ClusterProvenance self, ObjectKey a0, Object a1)
15461 add_attribute(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15462 add_attribute(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15463 add_attribute(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15464 add_attribute(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15466 return _IMP_core.ClusterProvenance_add_attribute(self, *args)
15468 def get_value(self, *args):
15470 get_value(ClusterProvenance self, FloatKey a0) -> IMP::Float
15471 get_value(ClusterProvenance self, IntKey a0) -> IMP::Int
15472 get_value(ClusterProvenance self, FloatsKey a0) -> IMP::Floats
15473 get_value(ClusterProvenance self, IntsKey a0) -> IMP::Ints
15474 get_value(ClusterProvenance self, StringKey a0) -> IMP::String
15475 get_value(ClusterProvenance self, ParticleIndexKey a0) -> Particle
15476 get_value(ClusterProvenance self, ObjectKey a0) -> Object
15477 get_value(ClusterProvenance self, SparseFloatKey a0) -> IMP::Float
15478 get_value(ClusterProvenance self, SparseIntKey a0) -> IMP::Int
15479 get_value(ClusterProvenance self, SparseStringKey a0) -> IMP::String
15480 get_value(ClusterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15482 return _IMP_core.ClusterProvenance_get_value(self, *args)
15484 def set_value(self, *args):
15486 set_value(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15487 set_value(ClusterProvenance self, IntKey a0, IMP::Int a1)
15488 set_value(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15489 set_value(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15490 set_value(ClusterProvenance self, StringKey a0, IMP::String a1)
15491 set_value(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15492 set_value(ClusterProvenance self, ObjectKey a0, Object a1)
15493 set_value(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15494 set_value(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15495 set_value(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15496 set_value(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15498 return _IMP_core.ClusterProvenance_set_value(self, *args)
15500 def remove_attribute(self, *args):
15502 remove_attribute(ClusterProvenance self, FloatKey a0)
15503 remove_attribute(ClusterProvenance self, IntKey a0)
15504 remove_attribute(ClusterProvenance self, FloatsKey a0)
15505 remove_attribute(ClusterProvenance self, IntsKey a0)
15506 remove_attribute(ClusterProvenance self, StringKey a0)
15507 remove_attribute(ClusterProvenance self, ParticleIndexKey a0)
15508 remove_attribute(ClusterProvenance self, ObjectKey a0)
15509 remove_attribute(ClusterProvenance self, SparseFloatKey a0)
15510 remove_attribute(ClusterProvenance self, SparseIntKey a0)
15511 remove_attribute(ClusterProvenance self, SparseStringKey a0)
15512 remove_attribute(ClusterProvenance self, SparseParticleIndexKey a0)
15514 return _IMP_core.ClusterProvenance_remove_attribute(self, *args)
15516 def has_attribute(self, *args):
15518 has_attribute(ClusterProvenance self, FloatKey a0) -> bool
15519 has_attribute(ClusterProvenance self, IntKey a0) -> bool
15520 has_attribute(ClusterProvenance self, FloatsKey a0) -> bool
15521 has_attribute(ClusterProvenance self, IntsKey a0) -> bool
15522 has_attribute(ClusterProvenance self, StringKey a0) -> bool
15523 has_attribute(ClusterProvenance self, ParticleIndexKey a0) -> bool
15524 has_attribute(ClusterProvenance self, ObjectKey a0) -> bool
15525 has_attribute(ClusterProvenance self, SparseFloatKey a0) -> bool
15526 has_attribute(ClusterProvenance self, SparseIntKey a0) -> bool
15527 has_attribute(ClusterProvenance self, SparseStringKey a0) -> bool
15528 has_attribute(ClusterProvenance self, SparseParticleIndexKey a0) -> bool
15530 return _IMP_core.ClusterProvenance_has_attribute(self, *args)
15532 def get_derivative(self, a0):
15533 r"""get_derivative(ClusterProvenance self, FloatKey a0) -> double"""
15534 return _IMP_core.ClusterProvenance_get_derivative(self, a0)
15536 def get_name(self):
15537 r"""get_name(ClusterProvenance self) -> std::string"""
15538 return _IMP_core.ClusterProvenance_get_name(self)
15540 def clear_caches(self):
15541 r"""clear_caches(ClusterProvenance self)"""
15542 return _IMP_core.ClusterProvenance_clear_caches(self)
15544 def set_name(self, a0):
15545 r"""set_name(ClusterProvenance self, std::string a0)"""
15546 return _IMP_core.ClusterProvenance_set_name(self, a0)
15549 r"""set_check_level(ClusterProvenance self, IMP::CheckLevel a0)"""
15550 return _IMP_core.ClusterProvenance_set_check_level(self, a0)
15552 def add_to_derivative(self, a0, a1, a2):
15553 r"""add_to_derivative(ClusterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15554 return _IMP_core.ClusterProvenance_add_to_derivative(self, a0, a1, a2)
15556 def set_is_optimized(self, a0, a1):
15557 r"""set_is_optimized(ClusterProvenance self, FloatKey a0, bool a1)"""
15558 return _IMP_core.ClusterProvenance_set_is_optimized(self, a0, a1)
15560 def get_is_optimized(self, a0):
15561 r"""get_is_optimized(ClusterProvenance self, FloatKey a0) -> bool"""
15562 return _IMP_core.ClusterProvenance_get_is_optimized(self, a0)
15565 r"""get_check_level(ClusterProvenance self) -> IMP::CheckLevel"""
15566 return _IMP_core.ClusterProvenance_get_check_level(self)
15568 def __eq__(self, *args):
15570 __eq__(ClusterProvenance self, ClusterProvenance o) -> bool
15571 __eq__(ClusterProvenance self, Particle d) -> bool
15573 return _IMP_core.ClusterProvenance___eq__(self, *args)
15575 def __ne__(self, *args):
15577 __ne__(ClusterProvenance self, ClusterProvenance o) -> bool
15578 __ne__(ClusterProvenance self, Particle d) -> bool
15580 return _IMP_core.ClusterProvenance___ne__(self, *args)
15582 def __le__(self, *args):
15584 __le__(ClusterProvenance self, ClusterProvenance o) -> bool
15585 __le__(ClusterProvenance self, Particle d) -> bool
15587 return _IMP_core.ClusterProvenance___le__(self, *args)
15589 def __lt__(self, *args):
15591 __lt__(ClusterProvenance self, ClusterProvenance o) -> bool
15592 __lt__(ClusterProvenance self, Particle d) -> bool
15594 return _IMP_core.ClusterProvenance___lt__(self, *args)
15596 def __ge__(self, *args):
15598 __ge__(ClusterProvenance self, ClusterProvenance o) -> bool
15599 __ge__(ClusterProvenance self, Particle d) -> bool
15601 return _IMP_core.ClusterProvenance___ge__(self, *args)
15603 def __gt__(self, *args):
15605 __gt__(ClusterProvenance self, ClusterProvenance o) -> bool
15606 __gt__(ClusterProvenance self, Particle d) -> bool
15608 return _IMP_core.ClusterProvenance___gt__(self, *args)
15610 def __hash__(self):
15611 r"""__hash__(ClusterProvenance self) -> std::size_t"""
15612 return _IMP_core.ClusterProvenance___hash__(self)
15615 r"""__str__(ClusterProvenance self) -> std::string"""
15616 return _IMP_core.ClusterProvenance___str__(self)
15618 def __repr__(self):
15619 r"""__repr__(ClusterProvenance self) -> std::string"""
15620 return _IMP_core.ClusterProvenance___repr__(self)
15622 def _get_as_binary(self):
15623 r"""_get_as_binary(ClusterProvenance self) -> PyObject *"""
15624 return _IMP_core.ClusterProvenance__get_as_binary(self)
15626 def _set_from_binary(self, p):
15627 r"""_set_from_binary(ClusterProvenance self, PyObject * p)"""
15628 return _IMP_core.ClusterProvenance__set_from_binary(self, p)
15630 def __getstate__(self):
15631 p = self._get_as_binary()
15632 if len(self.__dict__) > 1:
15633 d = self.__dict__.copy()
15638 def __setstate__(self, p):
15639 if not hasattr(self,
'this'):
15641 if isinstance(p, tuple):
15643 self.__dict__.update(d)
15644 return self._set_from_binary(p)
15646 __swig_destroy__ = _IMP_core.delete_ClusterProvenance
15649 _IMP_core.ClusterProvenance_swigregister(ClusterProvenance)
15650 class ScriptProvenance(Provenance):
15651 r"""Proxy of C++ IMP::core::ScriptProvenance class."""
15653 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15655 def set_filename(self, filename):
15656 r"""set_filename(ScriptProvenance self, std::string filename)"""
15657 return _IMP_core.ScriptProvenance_set_filename(self, filename)
15659 def get_filename(self):
15660 r"""get_filename(ScriptProvenance self) -> std::string"""
15661 return _IMP_core.ScriptProvenance_get_filename(self)
15663 def __init__(self, *args):
15665 __init__(ScriptProvenance self) -> ScriptProvenance
15666 __init__(ScriptProvenance self, Model m, ParticleIndex id) -> ScriptProvenance
15667 __init__(ScriptProvenance self, _ParticleAdaptor d) -> ScriptProvenance
15669 _IMP_core.ScriptProvenance_swiginit(self, _IMP_core.new_ScriptProvenance(*args))
15672 def get_is_setup(*args):
15674 get_is_setup(Model m, ParticleIndex pi) -> bool
15675 get_is_setup(_ParticleAdaptor p) -> bool
15677 return _IMP_core.ScriptProvenance_get_is_setup(*args)
15679 def show(self, *args):
15680 r"""show(ScriptProvenance self, _ostream out=std::cout)"""
15681 return _IMP_core.ScriptProvenance_show(self, *args)
15684 def setup_particle(*args):
15686 setup_particle(Model m, ParticleIndex pi, std::string filename) -> ScriptProvenance
15687 setup_particle(_ParticleAdaptor pa, std::string filename) -> ScriptProvenance
15688 setup_particle(Model m, ParticleIndex pi, ScriptProvenance o) -> ScriptProvenance
15689 setup_particle(_ParticleAdaptor pa, ScriptProvenance o) -> ScriptProvenance
15691 return _IMP_core.ScriptProvenance_setup_particle(*args)
15693 def add_attribute(self, *args):
15695 add_attribute(ScriptProvenance self, FloatKey k, IMP::Float v, bool opt)
15696 add_attribute(ScriptProvenance self, FloatKey a0, IMP::Float a1)
15697 add_attribute(ScriptProvenance self, IntKey a0, IMP::Int a1)
15698 add_attribute(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
15699 add_attribute(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
15700 add_attribute(ScriptProvenance self, StringKey a0, IMP::String a1)
15701 add_attribute(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
15702 add_attribute(ScriptProvenance self, ObjectKey a0, Object a1)
15703 add_attribute(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
15704 add_attribute(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
15705 add_attribute(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
15706 add_attribute(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15708 return _IMP_core.ScriptProvenance_add_attribute(self, *args)
15710 def get_value(self, *args):
15712 get_value(ScriptProvenance self, FloatKey a0) -> IMP::Float
15713 get_value(ScriptProvenance self, IntKey a0) -> IMP::Int
15714 get_value(ScriptProvenance self, FloatsKey a0) -> IMP::Floats
15715 get_value(ScriptProvenance self, IntsKey a0) -> IMP::Ints
15716 get_value(ScriptProvenance self, StringKey a0) -> IMP::String
15717 get_value(ScriptProvenance self, ParticleIndexKey a0) -> Particle
15718 get_value(ScriptProvenance self, ObjectKey a0) -> Object
15719 get_value(ScriptProvenance self, SparseFloatKey a0) -> IMP::Float
15720 get_value(ScriptProvenance self, SparseIntKey a0) -> IMP::Int
15721 get_value(ScriptProvenance self, SparseStringKey a0) -> IMP::String
15722 get_value(ScriptProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15724 return _IMP_core.ScriptProvenance_get_value(self, *args)
15726 def set_value(self, *args):
15728 set_value(ScriptProvenance self, FloatKey a0, IMP::Float a1)
15729 set_value(ScriptProvenance self, IntKey a0, IMP::Int a1)
15730 set_value(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
15731 set_value(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
15732 set_value(ScriptProvenance self, StringKey a0, IMP::String a1)
15733 set_value(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
15734 set_value(ScriptProvenance self, ObjectKey a0, Object a1)
15735 set_value(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
15736 set_value(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
15737 set_value(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
15738 set_value(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15740 return _IMP_core.ScriptProvenance_set_value(self, *args)
15742 def remove_attribute(self, *args):
15744 remove_attribute(ScriptProvenance self, FloatKey a0)
15745 remove_attribute(ScriptProvenance self, IntKey a0)
15746 remove_attribute(ScriptProvenance self, FloatsKey a0)
15747 remove_attribute(ScriptProvenance self, IntsKey a0)
15748 remove_attribute(ScriptProvenance self, StringKey a0)
15749 remove_attribute(ScriptProvenance self, ParticleIndexKey a0)
15750 remove_attribute(ScriptProvenance self, ObjectKey a0)
15751 remove_attribute(ScriptProvenance self, SparseFloatKey a0)
15752 remove_attribute(ScriptProvenance self, SparseIntKey a0)
15753 remove_attribute(ScriptProvenance self, SparseStringKey a0)
15754 remove_attribute(ScriptProvenance self, SparseParticleIndexKey a0)
15756 return _IMP_core.ScriptProvenance_remove_attribute(self, *args)
15758 def has_attribute(self, *args):
15760 has_attribute(ScriptProvenance self, FloatKey a0) -> bool
15761 has_attribute(ScriptProvenance self, IntKey a0) -> bool
15762 has_attribute(ScriptProvenance self, FloatsKey a0) -> bool
15763 has_attribute(ScriptProvenance self, IntsKey a0) -> bool
15764 has_attribute(ScriptProvenance self, StringKey a0) -> bool
15765 has_attribute(ScriptProvenance self, ParticleIndexKey a0) -> bool
15766 has_attribute(ScriptProvenance self, ObjectKey a0) -> bool
15767 has_attribute(ScriptProvenance self, SparseFloatKey a0) -> bool
15768 has_attribute(ScriptProvenance self, SparseIntKey a0) -> bool
15769 has_attribute(ScriptProvenance self, SparseStringKey a0) -> bool
15770 has_attribute(ScriptProvenance self, SparseParticleIndexKey a0) -> bool
15772 return _IMP_core.ScriptProvenance_has_attribute(self, *args)
15774 def get_derivative(self, a0):
15775 r"""get_derivative(ScriptProvenance self, FloatKey a0) -> double"""
15776 return _IMP_core.ScriptProvenance_get_derivative(self, a0)
15778 def get_name(self):
15779 r"""get_name(ScriptProvenance self) -> std::string"""
15780 return _IMP_core.ScriptProvenance_get_name(self)
15782 def clear_caches(self):
15783 r"""clear_caches(ScriptProvenance self)"""
15784 return _IMP_core.ScriptProvenance_clear_caches(self)
15786 def set_name(self, a0):
15787 r"""set_name(ScriptProvenance self, std::string a0)"""
15788 return _IMP_core.ScriptProvenance_set_name(self, a0)
15791 r"""set_check_level(ScriptProvenance self, IMP::CheckLevel a0)"""
15792 return _IMP_core.ScriptProvenance_set_check_level(self, a0)
15794 def add_to_derivative(self, a0, a1, a2):
15795 r"""add_to_derivative(ScriptProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15796 return _IMP_core.ScriptProvenance_add_to_derivative(self, a0, a1, a2)
15798 def set_is_optimized(self, a0, a1):
15799 r"""set_is_optimized(ScriptProvenance self, FloatKey a0, bool a1)"""
15800 return _IMP_core.ScriptProvenance_set_is_optimized(self, a0, a1)
15802 def get_is_optimized(self, a0):
15803 r"""get_is_optimized(ScriptProvenance self, FloatKey a0) -> bool"""
15804 return _IMP_core.ScriptProvenance_get_is_optimized(self, a0)
15807 r"""get_check_level(ScriptProvenance self) -> IMP::CheckLevel"""
15808 return _IMP_core.ScriptProvenance_get_check_level(self)
15810 def __eq__(self, *args):
15812 __eq__(ScriptProvenance self, ScriptProvenance o) -> bool
15813 __eq__(ScriptProvenance self, Particle d) -> bool
15815 return _IMP_core.ScriptProvenance___eq__(self, *args)
15817 def __ne__(self, *args):
15819 __ne__(ScriptProvenance self, ScriptProvenance o) -> bool
15820 __ne__(ScriptProvenance self, Particle d) -> bool
15822 return _IMP_core.ScriptProvenance___ne__(self, *args)
15824 def __le__(self, *args):
15826 __le__(ScriptProvenance self, ScriptProvenance o) -> bool
15827 __le__(ScriptProvenance self, Particle d) -> bool
15829 return _IMP_core.ScriptProvenance___le__(self, *args)
15831 def __lt__(self, *args):
15833 __lt__(ScriptProvenance self, ScriptProvenance o) -> bool
15834 __lt__(ScriptProvenance self, Particle d) -> bool
15836 return _IMP_core.ScriptProvenance___lt__(self, *args)
15838 def __ge__(self, *args):
15840 __ge__(ScriptProvenance self, ScriptProvenance o) -> bool
15841 __ge__(ScriptProvenance self, Particle d) -> bool
15843 return _IMP_core.ScriptProvenance___ge__(self, *args)
15845 def __gt__(self, *args):
15847 __gt__(ScriptProvenance self, ScriptProvenance o) -> bool
15848 __gt__(ScriptProvenance self, Particle d) -> bool
15850 return _IMP_core.ScriptProvenance___gt__(self, *args)
15852 def __hash__(self):
15853 r"""__hash__(ScriptProvenance self) -> std::size_t"""
15854 return _IMP_core.ScriptProvenance___hash__(self)
15857 r"""__str__(ScriptProvenance self) -> std::string"""
15858 return _IMP_core.ScriptProvenance___str__(self)
15860 def __repr__(self):
15861 r"""__repr__(ScriptProvenance self) -> std::string"""
15862 return _IMP_core.ScriptProvenance___repr__(self)
15864 def _get_as_binary(self):
15865 r"""_get_as_binary(ScriptProvenance self) -> PyObject *"""
15866 return _IMP_core.ScriptProvenance__get_as_binary(self)
15868 def _set_from_binary(self, p):
15869 r"""_set_from_binary(ScriptProvenance self, PyObject * p)"""
15870 return _IMP_core.ScriptProvenance__set_from_binary(self, p)
15872 def __getstate__(self):
15873 p = self._get_as_binary()
15874 if len(self.__dict__) > 1:
15875 d = self.__dict__.copy()
15880 def __setstate__(self, p):
15881 if not hasattr(self,
'this'):
15883 if isinstance(p, tuple):
15885 self.__dict__.update(d)
15886 return self._set_from_binary(p)
15888 __swig_destroy__ = _IMP_core.delete_ScriptProvenance
15891 _IMP_core.ScriptProvenance_swigregister(ScriptProvenance)
15892 class SoftwareProvenance(Provenance):
15893 r"""Proxy of C++ IMP::core::SoftwareProvenance class."""
15895 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15897 def set_software_name(self, name):
15898 r"""set_software_name(SoftwareProvenance self, std::string name)"""
15899 return _IMP_core.SoftwareProvenance_set_software_name(self, name)
15901 def get_software_name(self):
15902 r"""get_software_name(SoftwareProvenance self) -> std::string"""
15903 return _IMP_core.SoftwareProvenance_get_software_name(self)
15905 def set_version(self, version):
15906 r"""set_version(SoftwareProvenance self, std::string version)"""
15907 return _IMP_core.SoftwareProvenance_set_version(self, version)
15909 def get_version(self):
15910 r"""get_version(SoftwareProvenance self) -> std::string"""
15911 return _IMP_core.SoftwareProvenance_get_version(self)
15913 def set_location(self, location):
15914 r"""set_location(SoftwareProvenance self, std::string location)"""
15915 return _IMP_core.SoftwareProvenance_set_location(self, location)
15917 def get_location(self):
15918 r"""get_location(SoftwareProvenance self) -> std::string"""
15919 return _IMP_core.SoftwareProvenance_get_location(self)
15921 def __init__(self, *args):
15923 __init__(SoftwareProvenance self) -> SoftwareProvenance
15924 __init__(SoftwareProvenance self, Model m, ParticleIndex id) -> SoftwareProvenance
15925 __init__(SoftwareProvenance self, _ParticleAdaptor d) -> SoftwareProvenance
15927 _IMP_core.SoftwareProvenance_swiginit(self, _IMP_core.new_SoftwareProvenance(*args))
15930 def get_is_setup(*args):
15932 get_is_setup(Model m, ParticleIndex pi) -> bool
15933 get_is_setup(_ParticleAdaptor p) -> bool
15935 return _IMP_core.SoftwareProvenance_get_is_setup(*args)
15937 def show(self, *args):
15938 r"""show(SoftwareProvenance self, _ostream out=std::cout)"""
15939 return _IMP_core.SoftwareProvenance_show(self, *args)
15942 def setup_particle(*args):
15944 setup_particle(Model m, ParticleIndex pi, std::string name, std::string version, std::string location) -> SoftwareProvenance
15945 setup_particle(_ParticleAdaptor pa, std::string name, std::string version, std::string location) -> SoftwareProvenance
15946 setup_particle(Model m, ParticleIndex pi, SoftwareProvenance o) -> SoftwareProvenance
15947 setup_particle(_ParticleAdaptor pa, SoftwareProvenance o) -> SoftwareProvenance
15949 return _IMP_core.SoftwareProvenance_setup_particle(*args)
15951 def add_attribute(self, *args):
15953 add_attribute(SoftwareProvenance self, FloatKey k, IMP::Float v, bool opt)
15954 add_attribute(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
15955 add_attribute(SoftwareProvenance self, IntKey a0, IMP::Int a1)
15956 add_attribute(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
15957 add_attribute(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
15958 add_attribute(SoftwareProvenance self, StringKey a0, IMP::String a1)
15959 add_attribute(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
15960 add_attribute(SoftwareProvenance self, ObjectKey a0, Object a1)
15961 add_attribute(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
15962 add_attribute(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
15963 add_attribute(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
15964 add_attribute(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15966 return _IMP_core.SoftwareProvenance_add_attribute(self, *args)
15968 def get_value(self, *args):
15970 get_value(SoftwareProvenance self, FloatKey a0) -> IMP::Float
15971 get_value(SoftwareProvenance self, IntKey a0) -> IMP::Int
15972 get_value(SoftwareProvenance self, FloatsKey a0) -> IMP::Floats
15973 get_value(SoftwareProvenance self, IntsKey a0) -> IMP::Ints
15974 get_value(SoftwareProvenance self, StringKey a0) -> IMP::String
15975 get_value(SoftwareProvenance self, ParticleIndexKey a0) -> Particle
15976 get_value(SoftwareProvenance self, ObjectKey a0) -> Object
15977 get_value(SoftwareProvenance self, SparseFloatKey a0) -> IMP::Float
15978 get_value(SoftwareProvenance self, SparseIntKey a0) -> IMP::Int
15979 get_value(SoftwareProvenance self, SparseStringKey a0) -> IMP::String
15980 get_value(SoftwareProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15982 return _IMP_core.SoftwareProvenance_get_value(self, *args)
15984 def set_value(self, *args):
15986 set_value(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
15987 set_value(SoftwareProvenance self, IntKey a0, IMP::Int a1)
15988 set_value(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
15989 set_value(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
15990 set_value(SoftwareProvenance self, StringKey a0, IMP::String a1)
15991 set_value(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
15992 set_value(SoftwareProvenance self, ObjectKey a0, Object a1)
15993 set_value(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
15994 set_value(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
15995 set_value(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
15996 set_value(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15998 return _IMP_core.SoftwareProvenance_set_value(self, *args)
16000 def remove_attribute(self, *args):
16002 remove_attribute(SoftwareProvenance self, FloatKey a0)
16003 remove_attribute(SoftwareProvenance self, IntKey a0)
16004 remove_attribute(SoftwareProvenance self, FloatsKey a0)
16005 remove_attribute(SoftwareProvenance self, IntsKey a0)
16006 remove_attribute(SoftwareProvenance self, StringKey a0)
16007 remove_attribute(SoftwareProvenance self, ParticleIndexKey a0)
16008 remove_attribute(SoftwareProvenance self, ObjectKey a0)
16009 remove_attribute(SoftwareProvenance self, SparseFloatKey a0)
16010 remove_attribute(SoftwareProvenance self, SparseIntKey a0)
16011 remove_attribute(SoftwareProvenance self, SparseStringKey a0)
16012 remove_attribute(SoftwareProvenance self, SparseParticleIndexKey a0)
16014 return _IMP_core.SoftwareProvenance_remove_attribute(self, *args)
16016 def has_attribute(self, *args):
16018 has_attribute(SoftwareProvenance self, FloatKey a0) -> bool
16019 has_attribute(SoftwareProvenance self, IntKey a0) -> bool
16020 has_attribute(SoftwareProvenance self, FloatsKey a0) -> bool
16021 has_attribute(SoftwareProvenance self, IntsKey a0) -> bool
16022 has_attribute(SoftwareProvenance self, StringKey a0) -> bool
16023 has_attribute(SoftwareProvenance self, ParticleIndexKey a0) -> bool
16024 has_attribute(SoftwareProvenance self, ObjectKey a0) -> bool
16025 has_attribute(SoftwareProvenance self, SparseFloatKey a0) -> bool
16026 has_attribute(SoftwareProvenance self, SparseIntKey a0) -> bool
16027 has_attribute(SoftwareProvenance self, SparseStringKey a0) -> bool
16028 has_attribute(SoftwareProvenance self, SparseParticleIndexKey a0) -> bool
16030 return _IMP_core.SoftwareProvenance_has_attribute(self, *args)
16032 def get_derivative(self, a0):
16033 r"""get_derivative(SoftwareProvenance self, FloatKey a0) -> double"""
16034 return _IMP_core.SoftwareProvenance_get_derivative(self, a0)
16036 def get_name(self):
16037 r"""get_name(SoftwareProvenance self) -> std::string"""
16038 return _IMP_core.SoftwareProvenance_get_name(self)
16040 def clear_caches(self):
16041 r"""clear_caches(SoftwareProvenance self)"""
16042 return _IMP_core.SoftwareProvenance_clear_caches(self)
16044 def set_name(self, a0):
16045 r"""set_name(SoftwareProvenance self, std::string a0)"""
16046 return _IMP_core.SoftwareProvenance_set_name(self, a0)
16049 r"""set_check_level(SoftwareProvenance self, IMP::CheckLevel a0)"""
16050 return _IMP_core.SoftwareProvenance_set_check_level(self, a0)
16052 def add_to_derivative(self, a0, a1, a2):
16053 r"""add_to_derivative(SoftwareProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16054 return _IMP_core.SoftwareProvenance_add_to_derivative(self, a0, a1, a2)
16056 def set_is_optimized(self, a0, a1):
16057 r"""set_is_optimized(SoftwareProvenance self, FloatKey a0, bool a1)"""
16058 return _IMP_core.SoftwareProvenance_set_is_optimized(self, a0, a1)
16060 def get_is_optimized(self, a0):
16061 r"""get_is_optimized(SoftwareProvenance self, FloatKey a0) -> bool"""
16062 return _IMP_core.SoftwareProvenance_get_is_optimized(self, a0)
16065 r"""get_check_level(SoftwareProvenance self) -> IMP::CheckLevel"""
16066 return _IMP_core.SoftwareProvenance_get_check_level(self)
16068 def __eq__(self, *args):
16070 __eq__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16071 __eq__(SoftwareProvenance self, Particle d) -> bool
16073 return _IMP_core.SoftwareProvenance___eq__(self, *args)
16075 def __ne__(self, *args):
16077 __ne__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16078 __ne__(SoftwareProvenance self, Particle d) -> bool
16080 return _IMP_core.SoftwareProvenance___ne__(self, *args)
16082 def __le__(self, *args):
16084 __le__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16085 __le__(SoftwareProvenance self, Particle d) -> bool
16087 return _IMP_core.SoftwareProvenance___le__(self, *args)
16089 def __lt__(self, *args):
16091 __lt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16092 __lt__(SoftwareProvenance self, Particle d) -> bool
16094 return _IMP_core.SoftwareProvenance___lt__(self, *args)
16096 def __ge__(self, *args):
16098 __ge__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16099 __ge__(SoftwareProvenance self, Particle d) -> bool
16101 return _IMP_core.SoftwareProvenance___ge__(self, *args)
16103 def __gt__(self, *args):
16105 __gt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16106 __gt__(SoftwareProvenance self, Particle d) -> bool
16108 return _IMP_core.SoftwareProvenance___gt__(self, *args)
16110 def __hash__(self):
16111 r"""__hash__(SoftwareProvenance self) -> std::size_t"""
16112 return _IMP_core.SoftwareProvenance___hash__(self)
16115 r"""__str__(SoftwareProvenance self) -> std::string"""
16116 return _IMP_core.SoftwareProvenance___str__(self)
16118 def __repr__(self):
16119 r"""__repr__(SoftwareProvenance self) -> std::string"""
16120 return _IMP_core.SoftwareProvenance___repr__(self)
16122 def _get_as_binary(self):
16123 r"""_get_as_binary(SoftwareProvenance self) -> PyObject *"""
16124 return _IMP_core.SoftwareProvenance__get_as_binary(self)
16126 def _set_from_binary(self, p):
16127 r"""_set_from_binary(SoftwareProvenance self, PyObject * p)"""
16128 return _IMP_core.SoftwareProvenance__set_from_binary(self, p)
16130 def __getstate__(self):
16131 p = self._get_as_binary()
16132 if len(self.__dict__) > 1:
16133 d = self.__dict__.copy()
16138 def __setstate__(self, p):
16139 if not hasattr(self,
'this'):
16141 if isinstance(p, tuple):
16143 self.__dict__.update(d)
16144 return self._set_from_binary(p)
16146 __swig_destroy__ = _IMP_core.delete_SoftwareProvenance
16149 _IMP_core.SoftwareProvenance_swigregister(SoftwareProvenance)
16151 r"""Proxy of C++ IMP::core::Provenanced class."""
16153 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16155 def get_provenance(self):
16156 r"""get_provenance(Provenanced self) -> Provenance"""
16157 return _IMP_core.Provenanced_get_provenance(self)
16159 def set_provenance(self, p):
16160 r"""set_provenance(Provenanced self, Provenance p)"""
16161 return _IMP_core.Provenanced_set_provenance(self, p)
16163 def __init__(self, *args):
16165 __init__(Provenanced self) -> Provenanced
16166 __init__(Provenanced self, Model m, ParticleIndex id) -> Provenanced
16167 __init__(Provenanced self, _ParticleAdaptor d) -> Provenanced
16169 _IMP_core.Provenanced_swiginit(self, _IMP_core.new_Provenanced(*args))
16172 def get_is_setup(*args):
16174 get_is_setup(Model m, ParticleIndex pi) -> bool
16175 get_is_setup(_ParticleAdaptor p) -> bool
16177 return _IMP_core.Provenanced_get_is_setup(*args)
16179 def show(self, *args):
16180 r"""show(Provenanced self, _ostream out=std::cout)"""
16181 return _IMP_core.Provenanced_show(self, *args)
16184 def setup_particle(*args):
16186 setup_particle(Model m, ParticleIndex pi, Provenance p) -> Provenanced
16187 setup_particle(_ParticleAdaptor pa, Provenance p) -> Provenanced
16189 return _IMP_core.Provenanced_setup_particle(*args)
16191 def add_attribute(self, *args):
16193 add_attribute(Provenanced self, FloatKey k, IMP::Float v, bool opt)
16194 add_attribute(Provenanced self, FloatKey a0, IMP::Float a1)
16195 add_attribute(Provenanced self, IntKey a0, IMP::Int a1)
16196 add_attribute(Provenanced self, FloatsKey a0, IMP::Floats a1)
16197 add_attribute(Provenanced self, IntsKey a0, IMP::Ints a1)
16198 add_attribute(Provenanced self, StringKey a0, IMP::String a1)
16199 add_attribute(Provenanced self, ParticleIndexKey a0, Particle a1)
16200 add_attribute(Provenanced self, ObjectKey a0, Object a1)
16201 add_attribute(Provenanced self, SparseFloatKey a0, IMP::Float a1)
16202 add_attribute(Provenanced self, SparseIntKey a0, IMP::Int a1)
16203 add_attribute(Provenanced self, SparseStringKey a0, IMP::String a1)
16204 add_attribute(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
16206 return _IMP_core.Provenanced_add_attribute(self, *args)
16208 def get_value(self, *args):
16210 get_value(Provenanced self, FloatKey a0) -> IMP::Float
16211 get_value(Provenanced self, IntKey a0) -> IMP::Int
16212 get_value(Provenanced self, FloatsKey a0) -> IMP::Floats
16213 get_value(Provenanced self, IntsKey a0) -> IMP::Ints
16214 get_value(Provenanced self, StringKey a0) -> IMP::String
16215 get_value(Provenanced self, ParticleIndexKey a0) -> Particle
16216 get_value(Provenanced self, ObjectKey a0) -> Object
16217 get_value(Provenanced self, SparseFloatKey a0) -> IMP::Float
16218 get_value(Provenanced self, SparseIntKey a0) -> IMP::Int
16219 get_value(Provenanced self, SparseStringKey a0) -> IMP::String
16220 get_value(Provenanced self, SparseParticleIndexKey a0) -> ParticleIndex
16222 return _IMP_core.Provenanced_get_value(self, *args)
16224 def set_value(self, *args):
16226 set_value(Provenanced self, FloatKey a0, IMP::Float a1)
16227 set_value(Provenanced self, IntKey a0, IMP::Int a1)
16228 set_value(Provenanced self, FloatsKey a0, IMP::Floats a1)
16229 set_value(Provenanced self, IntsKey a0, IMP::Ints a1)
16230 set_value(Provenanced self, StringKey a0, IMP::String a1)
16231 set_value(Provenanced self, ParticleIndexKey a0, Particle a1)
16232 set_value(Provenanced self, ObjectKey a0, Object a1)
16233 set_value(Provenanced self, SparseFloatKey a0, IMP::Float a1)
16234 set_value(Provenanced self, SparseIntKey a0, IMP::Int a1)
16235 set_value(Provenanced self, SparseStringKey a0, IMP::String a1)
16236 set_value(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
16238 return _IMP_core.Provenanced_set_value(self, *args)
16240 def remove_attribute(self, *args):
16242 remove_attribute(Provenanced self, FloatKey a0)
16243 remove_attribute(Provenanced self, IntKey a0)
16244 remove_attribute(Provenanced self, FloatsKey a0)
16245 remove_attribute(Provenanced self, IntsKey a0)
16246 remove_attribute(Provenanced self, StringKey a0)
16247 remove_attribute(Provenanced self, ParticleIndexKey a0)
16248 remove_attribute(Provenanced self, ObjectKey a0)
16249 remove_attribute(Provenanced self, SparseFloatKey a0)
16250 remove_attribute(Provenanced self, SparseIntKey a0)
16251 remove_attribute(Provenanced self, SparseStringKey a0)
16252 remove_attribute(Provenanced self, SparseParticleIndexKey a0)
16254 return _IMP_core.Provenanced_remove_attribute(self, *args)
16256 def has_attribute(self, *args):
16258 has_attribute(Provenanced self, FloatKey a0) -> bool
16259 has_attribute(Provenanced self, IntKey a0) -> bool
16260 has_attribute(Provenanced self, FloatsKey a0) -> bool
16261 has_attribute(Provenanced self, IntsKey a0) -> bool
16262 has_attribute(Provenanced self, StringKey a0) -> bool
16263 has_attribute(Provenanced self, ParticleIndexKey a0) -> bool
16264 has_attribute(Provenanced self, ObjectKey a0) -> bool
16265 has_attribute(Provenanced self, SparseFloatKey a0) -> bool
16266 has_attribute(Provenanced self, SparseIntKey a0) -> bool
16267 has_attribute(Provenanced self, SparseStringKey a0) -> bool
16268 has_attribute(Provenanced self, SparseParticleIndexKey a0) -> bool
16270 return _IMP_core.Provenanced_has_attribute(self, *args)
16272 def get_derivative(self, a0):
16273 r"""get_derivative(Provenanced self, FloatKey a0) -> double"""
16274 return _IMP_core.Provenanced_get_derivative(self, a0)
16276 def get_name(self):
16277 r"""get_name(Provenanced self) -> std::string"""
16278 return _IMP_core.Provenanced_get_name(self)
16280 def clear_caches(self):
16281 r"""clear_caches(Provenanced self)"""
16282 return _IMP_core.Provenanced_clear_caches(self)
16284 def set_name(self, a0):
16285 r"""set_name(Provenanced self, std::string a0)"""
16286 return _IMP_core.Provenanced_set_name(self, a0)
16289 r"""set_check_level(Provenanced self, IMP::CheckLevel a0)"""
16290 return _IMP_core.Provenanced_set_check_level(self, a0)
16292 def add_to_derivative(self, a0, a1, a2):
16293 r"""add_to_derivative(Provenanced self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16294 return _IMP_core.Provenanced_add_to_derivative(self, a0, a1, a2)
16296 def set_is_optimized(self, a0, a1):
16297 r"""set_is_optimized(Provenanced self, FloatKey a0, bool a1)"""
16298 return _IMP_core.Provenanced_set_is_optimized(self, a0, a1)
16300 def get_is_optimized(self, a0):
16301 r"""get_is_optimized(Provenanced self, FloatKey a0) -> bool"""
16302 return _IMP_core.Provenanced_get_is_optimized(self, a0)
16305 r"""get_check_level(Provenanced self) -> IMP::CheckLevel"""
16306 return _IMP_core.Provenanced_get_check_level(self)
16308 def __eq__(self, *args):
16310 __eq__(Provenanced self, Provenanced o) -> bool
16311 __eq__(Provenanced self, Particle d) -> bool
16313 return _IMP_core.Provenanced___eq__(self, *args)
16315 def __ne__(self, *args):
16317 __ne__(Provenanced self, Provenanced o) -> bool
16318 __ne__(Provenanced self, Particle d) -> bool
16320 return _IMP_core.Provenanced___ne__(self, *args)
16322 def __le__(self, *args):
16324 __le__(Provenanced self, Provenanced o) -> bool
16325 __le__(Provenanced self, Particle d) -> bool
16327 return _IMP_core.Provenanced___le__(self, *args)
16329 def __lt__(self, *args):
16331 __lt__(Provenanced self, Provenanced o) -> bool
16332 __lt__(Provenanced self, Particle d) -> bool
16334 return _IMP_core.Provenanced___lt__(self, *args)
16336 def __ge__(self, *args):
16338 __ge__(Provenanced self, Provenanced o) -> bool
16339 __ge__(Provenanced self, Particle d) -> bool
16341 return _IMP_core.Provenanced___ge__(self, *args)
16343 def __gt__(self, *args):
16345 __gt__(Provenanced self, Provenanced o) -> bool
16346 __gt__(Provenanced self, Particle d) -> bool
16348 return _IMP_core.Provenanced___gt__(self, *args)
16350 def __hash__(self):
16351 r"""__hash__(Provenanced self) -> std::size_t"""
16352 return _IMP_core.Provenanced___hash__(self)
16355 r"""__str__(Provenanced self) -> std::string"""
16356 return _IMP_core.Provenanced___str__(self)
16358 def __repr__(self):
16359 r"""__repr__(Provenanced self) -> std::string"""
16360 return _IMP_core.Provenanced___repr__(self)
16362 def _get_as_binary(self):
16363 r"""_get_as_binary(Provenanced self) -> PyObject *"""
16364 return _IMP_core.Provenanced__get_as_binary(self)
16366 def _set_from_binary(self, p):
16367 r"""_set_from_binary(Provenanced self, PyObject * p)"""
16368 return _IMP_core.Provenanced__set_from_binary(self, p)
16370 def __getstate__(self):
16371 p = self._get_as_binary()
16372 if len(self.__dict__) > 1:
16373 d = self.__dict__.copy()
16378 def __setstate__(self, p):
16379 if not hasattr(self,
'this'):
16381 if isinstance(p, tuple):
16383 self.__dict__.update(d)
16384 return self._set_from_binary(p)
16386 __swig_destroy__ = _IMP_core.delete_Provenanced
16389 _IMP_core.Provenanced_swigregister(Provenanced)
16392 r"""add_provenance(Model m, ParticleIndex pi, Provenance p)"""
16393 return _IMP_core.add_provenance(m, pi, p)
16396 r"""create_clone(Provenance p) -> Provenance"""
16397 return _IMP_core.create_clone(p)
16401 get_transformation_aligning_first_to_second(IMP::ParticlesTemp const & a, IMP::ParticlesTemp const & b) -> Transformation3D
16402 get_transformation_aligning_first_to_second(IMP::ParticlesTemp const & a, IMP::Vector< IMP::algebra::VectorD< 3 >,std::allocator< IMP::algebra::VectorD< 3 > > > const & b) -> Transformation3D
16403 get_transformation_aligning_first_to_second(IMP::Vector< IMP::algebra::VectorD< 3 >,std::allocator< IMP::algebra::VectorD< 3 > > > const & a, IMP::ParticlesTemp const & b) -> Transformation3D
16405 return _IMP_core.get_transformation_aligning_first_to_second(*args)
16408 r"""create_restraint(PairScore ps, IMP::ParticlePair pp) -> Restraint"""
16409 return _IMP_core.create_restraint(ps, pp)
16411 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::LOWER > class."""
16413 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16415 def __init__(self, *args):
16417 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicLowerBound
16418 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicLowerBound
16420 _IMP_core.TruncatedHarmonicLowerBound_swiginit(self, _IMP_core.new_TruncatedHarmonicLowerBound(*args))
16422 def get_version_info(self):
16423 r"""get_version_info(TruncatedHarmonicLowerBound self) -> VersionInfo"""
16424 return _IMP_core.TruncatedHarmonicLowerBound_get_version_info(self)
16425 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicLowerBound
16428 r"""__str__(TruncatedHarmonicLowerBound self) -> std::string"""
16429 return _IMP_core.TruncatedHarmonicLowerBound___str__(self)
16431 def __repr__(self):
16432 r"""__repr__(TruncatedHarmonicLowerBound self) -> std::string"""
16433 return _IMP_core.TruncatedHarmonicLowerBound___repr__(self)
16437 return _object_cast_to_TruncatedHarmonic(o)
16441 _IMP_core.TruncatedHarmonicLowerBound_swigregister(TruncatedHarmonicLowerBound)
16443 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::UPPER > class."""
16445 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16447 def __init__(self, *args):
16449 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicUpperBound
16450 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicUpperBound
16452 _IMP_core.TruncatedHarmonicUpperBound_swiginit(self, _IMP_core.new_TruncatedHarmonicUpperBound(*args))
16454 def get_version_info(self):
16455 r"""get_version_info(TruncatedHarmonicUpperBound self) -> VersionInfo"""
16456 return _IMP_core.TruncatedHarmonicUpperBound_get_version_info(self)
16457 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicUpperBound
16460 r"""__str__(TruncatedHarmonicUpperBound self) -> std::string"""
16461 return _IMP_core.TruncatedHarmonicUpperBound___str__(self)
16463 def __repr__(self):
16464 r"""__repr__(TruncatedHarmonicUpperBound self) -> std::string"""
16465 return _IMP_core.TruncatedHarmonicUpperBound___repr__(self)
16469 return _object_cast_to_TruncatedHarmonic(o)
16473 _IMP_core.TruncatedHarmonicUpperBound_swigregister(TruncatedHarmonicUpperBound)
16475 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::BOTH > class."""
16477 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16479 def __init__(self, *args):
16481 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicBound
16482 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicBound
16484 _IMP_core.TruncatedHarmonicBound_swiginit(self, _IMP_core.new_TruncatedHarmonicBound(*args))
16486 def get_version_info(self):
16487 r"""get_version_info(TruncatedHarmonicBound self) -> VersionInfo"""
16488 return _IMP_core.TruncatedHarmonicBound_get_version_info(self)
16489 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicBound
16492 r"""__str__(TruncatedHarmonicBound self) -> std::string"""
16493 return _IMP_core.TruncatedHarmonicBound___str__(self)
16495 def __repr__(self):
16496 r"""__repr__(TruncatedHarmonicBound self) -> std::string"""
16497 return _IMP_core.TruncatedHarmonicBound___repr__(self)
16501 return _object_cast_to_TruncatedHarmonic(o)
16505 _IMP_core.TruncatedHarmonicBound_swigregister(TruncatedHarmonicBound)
16507 r"""Proxy of C++ IMP::Key< 34897493 > class."""
16509 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16511 def __init__(self, *args):
16513 __init__(ParticleType self) -> ParticleType
16514 __init__(ParticleType self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleType
16515 __init__(ParticleType self, unsigned int i) -> ParticleType
16517 _IMP_core.ParticleType_swiginit(self, _IMP_core.new_ParticleType(*args))
16521 r"""add_key(std::string sc) -> unsigned int"""
16522 return _IMP_core.ParticleType_add_key(sc)
16525 def get_key_exists(sc):
16526 r"""get_key_exists(std::string sc) -> bool"""
16527 return _IMP_core.ParticleType_get_key_exists(sc)
16529 def get_string(self):
16530 r"""get_string(ParticleType self) -> std::string const"""
16531 return _IMP_core.ParticleType_get_string(self)
16533 def __cmp__(self, o):
16534 r"""__cmp__(ParticleType self, ParticleType o) -> int"""
16535 return _IMP_core.ParticleType___cmp__(self, o)
16537 def __eq__(self, o):
16538 r"""__eq__(ParticleType self, ParticleType o) -> bool"""
16539 return _IMP_core.ParticleType___eq__(self, o)
16541 def __ne__(self, o):
16542 r"""__ne__(ParticleType self, ParticleType o) -> bool"""
16543 return _IMP_core.ParticleType___ne__(self, o)
16545 def __lt__(self, o):
16546 r"""__lt__(ParticleType self, ParticleType o) -> bool"""
16547 return _IMP_core.ParticleType___lt__(self, o)
16549 def __gt__(self, o):
16550 r"""__gt__(ParticleType self, ParticleType o) -> bool"""
16551 return _IMP_core.ParticleType___gt__(self, o)
16553 def __ge__(self, o):
16554 r"""__ge__(ParticleType self, ParticleType o) -> bool"""
16555 return _IMP_core.ParticleType___ge__(self, o)
16557 def __le__(self, o):
16558 r"""__le__(ParticleType self, ParticleType o) -> bool"""
16559 return _IMP_core.ParticleType___le__(self, o)
16561 def __hash__(self):
16562 r"""__hash__(ParticleType self) -> std::size_t"""
16563 return _IMP_core.ParticleType___hash__(self)
16565 def show(self, *args):
16566 r"""show(ParticleType self, _ostream out=std::cout)"""
16567 return _IMP_core.ParticleType_show(self, *args)
16570 def add_alias(old_key, new_name):
16571 r"""add_alias(ParticleType old_key, std::string new_name) -> ParticleType"""
16572 return _IMP_core.ParticleType_add_alias(old_key, new_name)
16575 def get_number_of_keys():
16576 r"""get_number_of_keys() -> unsigned int"""
16577 return _IMP_core.ParticleType_get_number_of_keys()
16580 r"""get_index(ParticleType self) -> unsigned int"""
16581 return _IMP_core.ParticleType_get_index(self)
16585 r"""show_all(_ostream out)"""
16586 return _IMP_core.ParticleType_show_all(out)
16589 def get_all_strings():
16590 r"""get_all_strings() -> IMP::Vector< std::string >"""
16591 return _IMP_core.ParticleType_get_all_strings()
16594 def get_number_unique():
16595 r"""get_number_unique() -> unsigned int"""
16596 return _IMP_core.ParticleType_get_number_unique()
16599 r"""__str__(ParticleType self) -> std::string"""
16600 return _IMP_core.ParticleType___str__(self)
16602 def __repr__(self):
16603 r"""__repr__(ParticleType self) -> std::string"""
16604 return _IMP_core.ParticleType___repr__(self)
16605 __swig_destroy__ = _IMP_core.delete_ParticleType
16608 _IMP_core.ParticleType_swigregister(ParticleType)
16610 r"""Proxy of C++ IMP::core::GenericAttributeSingletonScore< UnaryFunction > class."""
16612 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16613 __repr__ = _swig_repr
16615 def __init__(self, f, k):
16616 r"""__init__(AttributeSingletonScore self, UnaryFunction f, FloatKey k) -> AttributeSingletonScore"""
16617 _IMP_core.AttributeSingletonScore_swiginit(self, _IMP_core.new_AttributeSingletonScore(f, k))
16619 def do_get_inputs(self, m, pis):
16620 r"""do_get_inputs(AttributeSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16621 return _IMP_core.AttributeSingletonScore_do_get_inputs(self, m, pis)
16623 def get_unary_function(self):
16624 r"""get_unary_function(AttributeSingletonScore self) -> UnaryFunction"""
16625 return _IMP_core.AttributeSingletonScore_get_unary_function(self)
16627 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16628 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"""
16629 return _IMP_core.AttributeSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16631 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16632 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"""
16633 return _IMP_core.AttributeSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16635 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16636 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"""
16637 return _IMP_core.AttributeSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16639 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16640 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"""
16641 return _IMP_core.AttributeSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16643 def get_version_info(self):
16644 r"""get_version_info(AttributeSingletonScore self) -> VersionInfo"""
16645 return _IMP_core.AttributeSingletonScore_get_version_info(self)
16646 __swig_destroy__ = _IMP_core.delete_AttributeSingletonScore
16650 return _object_cast_to_AttributeSingletonScore(o)
16654 _IMP_core.AttributeSingletonScore_swigregister(AttributeSingletonScore)
16657 r"""create_generic_attribute_singleton_score(UnaryFunction uf, FloatKey k) -> AttributeSingletonScore"""
16658 return _IMP_core.create_generic_attribute_singleton_score(uf, k)
16660 r"""Proxy of C++ IMP::core::GenericBoundingBox3DSingletonScore< UnaryFunction > class."""
16662 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16663 __repr__ = _swig_repr
16665 def __init__(self, f, bb):
16666 r"""__init__(BoundingBox3DSingletonScore self, UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
16667 _IMP_core.BoundingBox3DSingletonScore_swiginit(self, _IMP_core.new_BoundingBox3DSingletonScore(f, bb))
16669 def get_unary_function(self):
16670 r"""get_unary_function(BoundingBox3DSingletonScore self) -> UnaryFunction"""
16671 return _IMP_core.BoundingBox3DSingletonScore_get_unary_function(self)
16674 r"""get_bounding_box(BoundingBox3DSingletonScore self) -> BoundingBox3D"""
16675 return _IMP_core.BoundingBox3DSingletonScore_get_bounding_box(self)
16677 def do_get_inputs(self, m, pis):
16678 r"""do_get_inputs(BoundingBox3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16679 return _IMP_core.BoundingBox3DSingletonScore_do_get_inputs(self, m, pis)
16681 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16682 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"""
16683 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16685 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16686 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"""
16687 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16689 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16690 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"""
16691 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16693 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16694 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"""
16695 return _IMP_core.BoundingBox3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16697 def get_version_info(self):
16698 r"""get_version_info(BoundingBox3DSingletonScore self) -> VersionInfo"""
16699 return _IMP_core.BoundingBox3DSingletonScore_get_version_info(self)
16700 __swig_destroy__ = _IMP_core.delete_BoundingBox3DSingletonScore
16704 return _object_cast_to_BoundingBox3DSingletonScore(o)
16707 def _get_jax(self, m, indexes):
16708 import jax.numpy
as jnp
16709 def score(jm, box_min, box_max, uf):
16710 xyzs = jm[
'xyz'][indexes]
16717 drs = jnp.linalg.norm(
16718 xyzs - jnp.clip(xyzs, box_min, box_max), axis=1)
16720 uf = self.get_unary_function().get_derived_object()
16721 bb = self.get_bounding_box()
16722 f = functools.partial(score, box_min=jnp.asarray(bb.get_corner(0)),
16723 box_max=jnp.asarray(bb.get_corner(1)),
16725 return self._wrap_jax(m, f)
16729 _IMP_core.BoundingBox3DSingletonScore_swigregister(BoundingBox3DSingletonScore)
16731 def create_bounding_box_3d_singleton_score(f, bb):
16732 r"""create_bounding_box_3d_singleton_score(UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
16733 return _IMP_core.create_bounding_box_3d_singleton_score(f, bb)
16735 r"""Proxy of C++ IMP::core::GenericBoundingSphere3DSingletonScore< UnaryFunction > class."""
16737 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16738 __repr__ = _swig_repr
16740 def __init__(self, f, sphere):
16741 r"""__init__(BoundingSphere3DSingletonScore self, UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
16742 _IMP_core.BoundingSphere3DSingletonScore_swiginit(self, _IMP_core.new_BoundingSphere3DSingletonScore(f, sphere))
16744 def do_get_inputs(self, m, pis):
16745 r"""do_get_inputs(BoundingSphere3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16746 return _IMP_core.BoundingSphere3DSingletonScore_do_get_inputs(self, m, pis)
16748 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16749 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"""
16750 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16752 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16753 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"""
16754 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16756 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16757 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"""
16758 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16760 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16761 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"""
16762 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16764 def get_version_info(self):
16765 r"""get_version_info(BoundingSphere3DSingletonScore self) -> VersionInfo"""
16766 return _IMP_core.BoundingSphere3DSingletonScore_get_version_info(self)
16767 __swig_destroy__ = _IMP_core.delete_BoundingSphere3DSingletonScore
16771 return _object_cast_to_BoundingSphere3DSingletonScore(o)
16775 _IMP_core.BoundingSphere3DSingletonScore_swigregister(BoundingSphere3DSingletonScore)
16777 def create_bounding_sphere_3d_singleton_score(f, sphere):
16778 r"""create_bounding_sphere_3d_singleton_score(UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
16779 return _IMP_core.create_bounding_sphere_3d_singleton_score(f, sphere)
16781 r"""Proxy of C++ IMP::core::GenericDistanceToSingletonScore< UnaryFunction > class."""
16783 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16784 __repr__ = _swig_repr
16786 def __init__(self, *args):
16788 __init__(DistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore
16789 __init__(DistanceToSingletonScore self) -> DistanceToSingletonScore
16791 _IMP_core.DistanceToSingletonScore_swiginit(self, _IMP_core.new_DistanceToSingletonScore(*args))
16793 def do_get_inputs(self, m, pis):
16794 r"""do_get_inputs(DistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16795 return _IMP_core.DistanceToSingletonScore_do_get_inputs(self, m, pis)
16797 def get_unary_function(self):
16798 r"""get_unary_function(DistanceToSingletonScore self) -> UnaryFunction"""
16799 return _IMP_core.DistanceToSingletonScore_get_unary_function(self)
16801 def get_point(self):
16802 r"""get_point(DistanceToSingletonScore self) -> Vector3D"""
16803 return _IMP_core.DistanceToSingletonScore_get_point(self)
16805 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16806 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"""
16807 return _IMP_core.DistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16809 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16810 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"""
16811 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16813 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16814 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"""
16815 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16817 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16818 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"""
16819 return _IMP_core.DistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16821 def get_version_info(self):
16822 r"""get_version_info(DistanceToSingletonScore self) -> VersionInfo"""
16823 return _IMP_core.DistanceToSingletonScore_get_version_info(self)
16824 __swig_destroy__ = _IMP_core.delete_DistanceToSingletonScore
16828 return _object_cast_to_DistanceToSingletonScore(o)
16831 def _get_as_binary(self):
16832 r"""_get_as_binary(DistanceToSingletonScore self) -> PyObject *"""
16833 return _IMP_core.DistanceToSingletonScore__get_as_binary(self)
16835 def _set_from_binary(self, p):
16836 r"""_set_from_binary(DistanceToSingletonScore self, PyObject * p)"""
16837 return _IMP_core.DistanceToSingletonScore__set_from_binary(self, p)
16839 def __getstate__(self):
16840 p = self._get_as_binary()
16841 if len(self.__dict__) > 1:
16842 d = self.__dict__.copy()
16847 def __setstate__(self, p):
16848 if not hasattr(self,
'this'):
16850 if isinstance(p, tuple):
16852 self.__dict__.update(d)
16853 return self._set_from_binary(p)
16856 def _get_jax(self, m, indexes):
16857 import jax.numpy
as jnp
16858 def score(jm, point, uf):
16859 xyzs = jm[
'xyz'][indexes]
16860 drs = jnp.linalg.norm(xyzs - point, axis=1)
16862 uf = self.get_unary_function().get_derived_object()
16863 f = functools.partial(score, point=jnp.array(self.get_point()),
16865 return self._wrap_jax(m, f)
16869 _IMP_core.DistanceToSingletonScore_swigregister(DistanceToSingletonScore)
16871 def create_distance_to_singleton_score(f, pt):
16872 r"""create_distance_to_singleton_score(UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore"""
16873 return _IMP_core.create_distance_to_singleton_score(f, pt)
16875 class SphereDistancePairScore(_SphereDistancePairScore.__bases__[0]):
16876 def __init__(self, uf):
16877 if isinstance(uf, HarmonicUpperBound):
16878 p = HarmonicUpperBoundSphereDistancePairScore(
16879 uf.get_mean(), uf.get_k())
16880 elif isinstance(uf, HarmonicLowerBound):
16881 if uf.get_mean() == 0.0:
16882 p = SoftSpherePairScore(uf.get_k())
16884 p = _SphereDistancePairScore(uf)
16885 elif isinstance(uf, Harmonic):
16886 p = HarmonicSphereDistancePairScore(
16887 uf.get_mean(), uf.get_k())
16889 p = _SphereDistancePairScore(uf)
16890 self.__dict__[
'_proxied'] = p
16891 def __getattr__(self, key):
16892 return getattr(self._proxied, key)
16893 def __setattr__(self, key, val):
16894 return setattr(self._proxied, key, val)
16896 def __getstate__(self):
16897 return self.__dict__[
'_proxied']
16899 def __setstate__(self, p):
16900 self.__dict__[
'_proxied'] = p
16902 def _get_jax(self, *args, **kwargs):
16903 return self._proxied._get_jax(*args, **kwargs)
16908 p = HarmonicUpperBoundSphereDistancePairScore.get_from(o)
16911 p = HarmonicSphereDistancePairScore.get_from(o)
16914 p = SoftSpherePairScore.get_from(o)
16916 p = _SphereDistancePairScore.get_from(o)
16917 obj = object.__new__(SphereDistancePairScore)
16918 obj.__dict__[
'_proxied'] = p
16924 CombineProvenance, FilterProvenance,
16925 ClusterProvenance, ScriptProvenance,
16926 SoftwareProvenance]):
16927 """Yield all provenance decorators of the given types for the particle.
16928 By default, all provenance types are returned. Provenance is returned
16929 in order, most recent first. If the particle has no provenance
16930 information, an empty generator is returned."""
16931 if Provenanced.get_is_setup(p):
16935 if c.get_is_setup(prov):
16937 prov = prov.get_previous()
16940 """Tag the given particle with the current Python script.
16941 This is a noop if the particle is already so tagged."""
16942 main = sys.modules[
'__main__']
16944 if not hasattr(main,
'__file__'):
16948 if prov.get_filename() == f:
16952 provp.set_name(
'script')
16953 prov = ScriptProvenance.setup_particle(provp, f)
16957 """Tag the given particle with the software used to create it.
16958 This is a noop if the particle is already so tagged."""
16960 if prov.get_software_name() == name
and prov.get_version() == version \
16961 and prov.get_location() == location:
16965 provp.set_name(
'software')
16966 prov = SoftwareProvenance.setup_particle(provp, name, version, location)
16970 """Tag the given particle as being created by the current version of IMP."""
16973 location=
"https://integrativemodeling.org")
16976 def get_module_name():
16977 r"""get_module_name() -> std::string const"""
16978 return _IMP_core.get_module_name()
16981 r"""get_module_version() -> std::string const"""
16982 return _IMP_core.get_module_version()
16985 r"""get_example_path(std::string fname) -> std::string"""
16986 return _IMP_core.get_example_path(fname)
16989 r"""get_data_path(std::string fname) -> std::string"""
16990 return _IMP_core.get_data_path(fname)
16992 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
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.
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.