17 from sys
import version_info
as _swig_python_version_info
21 import builtins
as __builtin__
27 strthis =
"proxy of " + self.this.__repr__()
28 except __builtin__.Exception:
30 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
33 def _swig_setattr_nondynamic_instance_variable(set):
34 def set_instance_attr(self, name, value):
36 set(self, name, value)
37 elif name ==
"thisown":
39 elif hasattr(self, name)
and isinstance(getattr(type(self), name), property):
40 set(self, name, value)
42 raise AttributeError(
"You cannot add instance attributes to %s" % self)
43 return set_instance_attr
46 def _swig_setattr_nondynamic_class_variable(set):
47 def set_class_attr(cls, name, value):
48 if hasattr(cls, name)
and not isinstance(getattr(cls, name), property):
51 raise AttributeError(
"You cannot add class attributes to %s" % cls)
55 def _swig_add_metaclass(metaclass):
56 """Class decorator for adding a metaclass to a SWIG wrapped class - a slimmed down version of six.add_metaclass"""
58 return metaclass(cls.__name__, cls.__bases__, cls.__dict__.copy())
62 class _SwigNonDynamicMeta(type):
63 """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
64 __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
69 class IMP_CORE_SwigPyIterator(object):
70 r"""Proxy of C++ swig::IMP_CORE_SwigPyIterator class."""
72 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
74 def __init__(self, *args, **kwargs):
75 raise AttributeError(
"No constructor defined - class is abstract")
77 __swig_destroy__ = _IMP_core.delete_IMP_CORE_SwigPyIterator
80 r"""value(IMP_CORE_SwigPyIterator self) -> PyObject *"""
81 return _IMP_core.IMP_CORE_SwigPyIterator_value(self)
84 r"""incr(IMP_CORE_SwigPyIterator self, size_t n=1) -> IMP_CORE_SwigPyIterator"""
85 return _IMP_core.IMP_CORE_SwigPyIterator_incr(self, n)
88 r"""decr(IMP_CORE_SwigPyIterator self, size_t n=1) -> IMP_CORE_SwigPyIterator"""
89 return _IMP_core.IMP_CORE_SwigPyIterator_decr(self, n)
91 def distance(self, x):
92 r"""distance(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> ptrdiff_t"""
93 return _IMP_core.IMP_CORE_SwigPyIterator_distance(self, x)
96 r"""equal(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> bool"""
97 return _IMP_core.IMP_CORE_SwigPyIterator_equal(self, x)
100 r"""copy(IMP_CORE_SwigPyIterator self) -> IMP_CORE_SwigPyIterator"""
101 return _IMP_core.IMP_CORE_SwigPyIterator_copy(self)
104 r"""next(IMP_CORE_SwigPyIterator self) -> PyObject *"""
105 return _IMP_core.IMP_CORE_SwigPyIterator_next(self)
108 r"""__next__(IMP_CORE_SwigPyIterator self) -> PyObject *"""
109 return _IMP_core.IMP_CORE_SwigPyIterator___next__(self)
112 r"""previous(IMP_CORE_SwigPyIterator self) -> PyObject *"""
113 return _IMP_core.IMP_CORE_SwigPyIterator_previous(self)
115 def advance(self, n):
116 r"""advance(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
117 return _IMP_core.IMP_CORE_SwigPyIterator_advance(self, n)
120 r"""__eq__(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> bool"""
121 return _IMP_core.IMP_CORE_SwigPyIterator___eq__(self, x)
124 r"""__ne__(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> bool"""
125 return _IMP_core.IMP_CORE_SwigPyIterator___ne__(self, x)
127 def __iadd__(self, n):
128 r"""__iadd__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
129 return _IMP_core.IMP_CORE_SwigPyIterator___iadd__(self, n)
131 def __isub__(self, n):
132 r"""__isub__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
133 return _IMP_core.IMP_CORE_SwigPyIterator___isub__(self, n)
135 def __add__(self, n):
136 r"""__add__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator"""
137 return _IMP_core.IMP_CORE_SwigPyIterator___add__(self, n)
139 def __sub__(self, *args):
141 __sub__(IMP_CORE_SwigPyIterator self, ptrdiff_t n) -> IMP_CORE_SwigPyIterator
142 __sub__(IMP_CORE_SwigPyIterator self, IMP_CORE_SwigPyIterator x) -> ptrdiff_t
144 return _IMP_core.IMP_CORE_SwigPyIterator___sub__(self, *args)
149 _IMP_core.IMP_CORE_SwigPyIterator_swigregister(IMP_CORE_SwigPyIterator)
156 IMP_DEBUG = _IMP_core.IMP_DEBUG
158 IMP_RELEASE = _IMP_core.IMP_RELEASE
160 IMP_SILENT = _IMP_core.IMP_SILENT
162 IMP_PROGRESS = _IMP_core.IMP_PROGRESS
164 IMP_TERSE = _IMP_core.IMP_TERSE
166 IMP_VERBOSE = _IMP_core.IMP_VERBOSE
168 IMP_MEMORY = _IMP_core.IMP_MEMORY
170 IMP_NONE = _IMP_core.IMP_NONE
172 IMP_USAGE = _IMP_core.IMP_USAGE
174 IMP_INTERNAL = _IMP_core.IMP_INTERNAL
176 IMP_KERNEL_HAS_LOG4CXX = _IMP_core.IMP_KERNEL_HAS_LOG4CXX
178 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_core.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
180 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_core.IMP_COMPILER_HAS_DEBUG_VECTOR
182 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_core.IMP_COMPILER_HAS_RANDOM_SHUFFLE
184 IMP_COMPILER_HAS_THREE_WAY = _IMP_core.IMP_COMPILER_HAS_THREE_WAY
186 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_core.IMP_KERNEL_HAS_BOOST_RANDOM
188 IMP_KERNEL_HAS_NUMPY = _IMP_core.IMP_KERNEL_HAS_NUMPY
190 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_core.IMP_KERNEL_HAS_BOOST_SYSTEM
192 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_core.IMP_KERNEL_HAS_GPERFTOOLS
194 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_core.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
196 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_core.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
198 IMPKERNEL_SHOW_WARNINGS = _IMP_core.IMPKERNEL_SHOW_WARNINGS
202 class _DirectorObjects:
203 """@internal Simple class to keep references to director objects
204 to prevent premature deletion."""
207 def register(self, obj):
208 """Take a reference to a director object; will only work for
209 refcounted C++ classes"""
210 if hasattr(obj,
'get_ref_count'):
211 self._objects.append(obj)
213 """Only drop our reference and allow cleanup by Python if no other
214 Python references exist (we hold 3 references: one in self._objects,
215 one in x, and one in the argument list for getrefcount) *and* no
216 other C++ references exist (the Python object always holds one)"""
217 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
218 or x.get_ref_count() > 1]
222 def get_object_count(self):
223 """Get number of director objects (useful for testing only)"""
224 return len(self._objects)
225 _director_objects = _DirectorObjects()
227 class _ostream(object):
228 r"""Proxy of C++ std::ostream class."""
230 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
232 def __init__(self, *args, **kwargs):
233 raise AttributeError(
"No constructor defined")
234 __repr__ = _swig_repr
236 def write(self, osa_buf):
237 r"""write(_ostream self, char const * osa_buf)"""
238 return _IMP_core._ostream_write(self, osa_buf)
241 _IMP_core._ostream_swigregister(_ostream)
242 IMP_C_OPEN_BINARY = _IMP_core.IMP_C_OPEN_BINARY
245 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_CGAL_HAS_BOOST_FILESYSTEM
247 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
249 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_core.IMP_CGAL_HAS_BOOST_RANDOM
251 IMP_CGAL_HAS_NUMPY = _IMP_core.IMP_CGAL_HAS_NUMPY
253 IMPCGAL_SHOW_WARNINGS = _IMP_core.IMPCGAL_SHOW_WARNINGS
256 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_core.IMP_ALGEBRA_HAS_IMP_CGAL
258 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
260 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
262 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_core.IMP_ALGEBRA_HAS_BOOST_RANDOM
264 IMP_ALGEBRA_HAS_CGAL = _IMP_core.IMP_ALGEBRA_HAS_CGAL
266 IMP_ALGEBRA_HAS_NUMPY = _IMP_core.IMP_ALGEBRA_HAS_NUMPY
268 IMP_ALGEBRA_HAS_ANN = _IMP_core.IMP_ALGEBRA_HAS_ANN
270 IMPALGEBRA_SHOW_WARNINGS = _IMP_core.IMPALGEBRA_SHOW_WARNINGS
273 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_core.IMP_DISPLAY_HAS_IMP_CGAL
275 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
277 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
279 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_core.IMP_DISPLAY_HAS_BOOST_RANDOM
281 IMP_DISPLAY_HAS_CGAL = _IMP_core.IMP_DISPLAY_HAS_CGAL
283 IMP_DISPLAY_HAS_NUMPY = _IMP_core.IMP_DISPLAY_HAS_NUMPY
285 IMPDISPLAY_SHOW_WARNINGS = _IMP_core.IMPDISPLAY_SHOW_WARNINGS
288 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_core.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
290 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
292 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
294 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_core.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
296 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_core.IMP_SCORE_FUNCTOR_HAS_CGAL
298 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_core.IMP_SCORE_FUNCTOR_HAS_HDF5
300 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_core.IMP_SCORE_FUNCTOR_HAS_NUMPY
302 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_core.IMPSCOREFUNCTOR_SHOW_WARNINGS
305 IMP_CORE_HAS_IMP_CGAL = _IMP_core.IMP_CORE_HAS_IMP_CGAL
307 IMP_CORE_HAS_IMP_KERNEL = _IMP_core.IMP_CORE_HAS_IMP_KERNEL
309 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_core.IMP_CORE_HAS_BOOST_FILESYSTEM
311 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_core.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
313 IMP_CORE_HAS_BOOST_RANDOM = _IMP_core.IMP_CORE_HAS_BOOST_RANDOM
315 IMP_CORE_HAS_CGAL = _IMP_core.IMP_CORE_HAS_CGAL
317 IMP_CORE_HAS_HDF5 = _IMP_core.IMP_CORE_HAS_HDF5
319 IMP_CORE_HAS_NUMPY = _IMP_core.IMP_CORE_HAS_NUMPY
321 IMPCORE_SHOW_WARNINGS = _IMP_core.IMPCORE_SHOW_WARNINGS
324 r"""Proxy of C++ IMP::score_functor::ScoreUnaryFunction< IMP::score_functor::OpenCubicSpline > class."""
326 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
327 __repr__ = _swig_repr
329 def __init__(self, *args):
330 r"""__init__(_OpenCubicSplineBase self, IMP::score_functor::OpenCubicSpline const & score, std::string name="UnaryFunction%1%") -> _OpenCubicSplineBase"""
331 _IMP_core._OpenCubicSplineBase_swiginit(self, _IMP_core.new__OpenCubicSplineBase(*args))
333 def get_version_info(self):
334 r"""get_version_info(_OpenCubicSplineBase self) -> VersionInfo"""
335 return _IMP_core._OpenCubicSplineBase_get_version_info(self)
336 __swig_destroy__ = _IMP_core.delete__OpenCubicSplineBase
339 _IMP_core._OpenCubicSplineBase_swigregister(_OpenCubicSplineBase)
341 _object_types.append(
"MonteCarloMover")
344 def _object_cast_to_MonteCarloMover(o):
345 r"""_object_cast_to_MonteCarloMover(Object o) -> MonteCarloMover"""
346 return _IMP_core._object_cast_to_MonteCarloMover(o)
348 MonteCarloMoverResults=list
349 _plural_types.append(
"MonteCarloMoverResults")
350 _value_types.append(
"MonteCarloMoverResult")
353 _object_types.append(
"AngleRestraint")
356 def _object_cast_to_AngleRestraint(o):
357 r"""_object_cast_to_AngleRestraint(Object o) -> AngleRestraint"""
358 return _IMP_core._object_cast_to_AngleRestraint(o)
360 _object_types.append(
"AngleTripletScore")
363 def _object_cast_to_AngleTripletScore(o):
364 r"""_object_cast_to_AngleTripletScore(Object o) -> AngleTripletScore"""
365 return _IMP_core._object_cast_to_AngleTripletScore(o)
367 _object_types.append(
"AttributeSingletonScore")
370 def _object_cast_to_AttributeSingletonScore(o):
371 r"""_object_cast_to_AttributeSingletonScore(Object o) -> AttributeSingletonScore"""
372 return _IMP_core._object_cast_to_AttributeSingletonScore(o)
374 _object_types.append(
"BallMover")
377 def _object_cast_to_BallMover(o):
378 r"""_object_cast_to_BallMover(Object o) -> BallMover"""
379 return _IMP_core._object_cast_to_BallMover(o)
381 _object_types.append(
"SerialMover")
384 def _object_cast_to_SerialMover(o):
385 r"""_object_cast_to_SerialMover(Object o) -> SerialMover"""
386 return _IMP_core._object_cast_to_SerialMover(o)
388 _object_types.append(
"SubsetMover")
391 def _object_cast_to_SubsetMover(o):
392 r"""_object_cast_to_SubsetMover(Object o) -> SubsetMover"""
393 return _IMP_core._object_cast_to_SubsetMover(o)
395 _object_types.append(
"DirectionMover")
398 def _object_cast_to_DirectionMover(o):
399 r"""_object_cast_to_DirectionMover(Object o) -> DirectionMover"""
400 return _IMP_core._object_cast_to_DirectionMover(o)
402 _object_types.append(
"SurfaceMover")
405 def _object_cast_to_SurfaceMover(o):
406 r"""_object_cast_to_SurfaceMover(Object o) -> SurfaceMover"""
407 return _IMP_core._object_cast_to_SurfaceMover(o)
409 _object_types.append(
"BoundingBox3DSingletonScore")
412 def _object_cast_to_BoundingBox3DSingletonScore(o):
413 r"""_object_cast_to_BoundingBox3DSingletonScore(Object o) -> BoundingBox3DSingletonScore"""
414 return _IMP_core._object_cast_to_BoundingBox3DSingletonScore(o)
416 _object_types.append(
"BoundingSphere3DSingletonScore")
419 def _object_cast_to_BoundingSphere3DSingletonScore(o):
420 r"""_object_cast_to_BoundingSphere3DSingletonScore(Object o) -> BoundingSphere3DSingletonScore"""
421 return _IMP_core._object_cast_to_BoundingSphere3DSingletonScore(o)
423 _object_types.append(
"BoxSweepClosePairsFinder")
426 def _object_cast_to_BoxSweepClosePairsFinder(o):
427 r"""_object_cast_to_BoxSweepClosePairsFinder(Object o) -> BoxSweepClosePairsFinder"""
428 return _IMP_core._object_cast_to_BoxSweepClosePairsFinder(o)
430 _object_types.append(
"NearestNeighborsClosePairsFinder")
433 def _object_cast_to_NearestNeighborsClosePairsFinder(o):
434 r"""_object_cast_to_NearestNeighborsClosePairsFinder(Object o) -> NearestNeighborsClosePairsFinder"""
435 return _IMP_core._object_cast_to_NearestNeighborsClosePairsFinder(o)
437 _object_types.append(
"CentroidOfRefined")
440 def _object_cast_to_CentroidOfRefined(o):
441 r"""_object_cast_to_CentroidOfRefined(Object o) -> CentroidOfRefined"""
442 return _IMP_core._object_cast_to_CentroidOfRefined(o)
444 _object_types.append(
"ChecksScoreState")
447 def _object_cast_to_ChecksScoreState(o):
448 r"""_object_cast_to_ChecksScoreState(Object o) -> ChecksScoreState"""
449 return _IMP_core._object_cast_to_ChecksScoreState(o)
451 _object_types.append(
"ChildrenRefiner")
454 def _object_cast_to_ChildrenRefiner(o):
455 r"""_object_cast_to_ChildrenRefiner(Object o) -> ChildrenRefiner"""
456 return _IMP_core._object_cast_to_ChildrenRefiner(o)
458 _object_types.append(
"ClosePairsFinder")
461 def _object_cast_to_ClosePairsFinder(o):
462 r"""_object_cast_to_ClosePairsFinder(Object o) -> ClosePairsFinder"""
463 return _IMP_core._object_cast_to_ClosePairsFinder(o)
465 _object_types.append(
"ClosePairsPairScore")
468 def _object_cast_to_ClosePairsPairScore(o):
469 r"""_object_cast_to_ClosePairsPairScore(Object o) -> ClosePairsPairScore"""
470 return _IMP_core._object_cast_to_ClosePairsPairScore(o)
472 _object_types.append(
"ClosedCubicSpline")
475 def _object_cast_to_ClosedCubicSpline(o):
476 r"""_object_cast_to_ClosedCubicSpline(Object o) -> ClosedCubicSpline"""
477 return _IMP_core._object_cast_to_ClosedCubicSpline(o)
479 _object_types.append(
"ConjugateGradients")
482 def _object_cast_to_ConjugateGradients(o):
483 r"""_object_cast_to_ConjugateGradients(Object o) -> ConjugateGradients"""
484 return _IMP_core._object_cast_to_ConjugateGradients(o)
486 _object_types.append(
"ConnectivityRestraint")
489 def _object_cast_to_ConnectivityRestraint(o):
490 r"""_object_cast_to_ConnectivityRestraint(Object o) -> ConnectivityRestraint"""
491 return _IMP_core._object_cast_to_ConnectivityRestraint(o)
493 _object_types.append(
"ConstantRestraint")
496 def _object_cast_to_ConstantRestraint(o):
497 r"""_object_cast_to_ConstantRestraint(Object o) -> ConstantRestraint"""
498 return _IMP_core._object_cast_to_ConstantRestraint(o)
500 _object_types.append(
"Cosine")
503 def _object_cast_to_Cosine(o):
504 r"""_object_cast_to_Cosine(Object o) -> Cosine"""
505 return _IMP_core._object_cast_to_Cosine(o)
507 _object_types.append(
"CoverRefined")
510 def _object_cast_to_CoverRefined(o):
511 r"""_object_cast_to_CoverRefined(Object o) -> CoverRefined"""
512 return _IMP_core._object_cast_to_CoverRefined(o)
514 _object_types.append(
"DerivativesFromRefined")
517 def _object_cast_to_DerivativesFromRefined(o):
518 r"""_object_cast_to_DerivativesFromRefined(Object o) -> DerivativesFromRefined"""
519 return _IMP_core._object_cast_to_DerivativesFromRefined(o)
521 _object_types.append(
"DerivativesToRefined")
524 def _object_cast_to_DerivativesToRefined(o):
525 r"""_object_cast_to_DerivativesToRefined(Object o) -> DerivativesToRefined"""
526 return _IMP_core._object_cast_to_DerivativesToRefined(o)
528 _object_types.append(
"WeightedDerivativesToRefined")
531 def _object_cast_to_WeightedDerivativesToRefined(o):
532 r"""_object_cast_to_WeightedDerivativesToRefined(Object o) -> IMP::core::WeightedDerivativesToRefined *"""
533 return _IMP_core._object_cast_to_WeightedDerivativesToRefined(o)
535 _object_types.append(
"DiameterRestraint")
538 def _object_cast_to_DiameterRestraint(o):
539 r"""_object_cast_to_DiameterRestraint(Object o) -> DiameterRestraint"""
540 return _IMP_core._object_cast_to_DiameterRestraint(o)
542 _object_types.append(
"DihedralRestraint")
545 def _object_cast_to_DihedralRestraint(o):
546 r"""_object_cast_to_DihedralRestraint(Object o) -> DihedralRestraint"""
547 return _IMP_core._object_cast_to_DihedralRestraint(o)
549 _object_types.append(
"DistanceRestraint")
552 def _object_cast_to_DistanceRestraint(o):
553 r"""_object_cast_to_DistanceRestraint(Object o) -> DistanceRestraint"""
554 return _IMP_core._object_cast_to_DistanceRestraint(o)
556 _object_types.append(
"DistanceToSingletonScore")
559 def _object_cast_to_DistanceToSingletonScore(o):
560 r"""_object_cast_to_DistanceToSingletonScore(Object o) -> DistanceToSingletonScore"""
561 return _IMP_core._object_cast_to_DistanceToSingletonScore(o)
563 _object_types.append(
"ExcludedVolumeRestraint")
566 def _object_cast_to_ExcludedVolumeRestraint(o):
567 r"""_object_cast_to_ExcludedVolumeRestraint(Object o) -> ExcludedVolumeRestraint"""
568 return _IMP_core._object_cast_to_ExcludedVolumeRestraint(o)
570 _object_types.append(
"FixedRefiner")
573 def _object_cast_to_FixedRefiner(o):
574 r"""_object_cast_to_FixedRefiner(Object o) -> FixedRefiner"""
575 return _IMP_core._object_cast_to_FixedRefiner(o)
577 _object_types.append(
"GridClosePairsFinder")
580 def _object_cast_to_GridClosePairsFinder(o):
581 r"""_object_cast_to_GridClosePairsFinder(Object o) -> GridClosePairsFinder"""
582 return _IMP_core._object_cast_to_GridClosePairsFinder(o)
584 _object_types.append(
"Harmonic")
587 def _object_cast_to_Harmonic(o):
588 r"""_object_cast_to_Harmonic(Object o) -> Harmonic"""
589 return _IMP_core._object_cast_to_Harmonic(o)
591 _object_types.append(
"HarmonicWell")
594 def _object_cast_to_HarmonicWell(o):
595 r"""_object_cast_to_HarmonicWell(Object o) -> HarmonicWell"""
596 return _IMP_core._object_cast_to_HarmonicWell(o)
598 _object_types.append(
"HarmonicLowerBound")
601 def _object_cast_to_HarmonicLowerBound(o):
602 r"""_object_cast_to_HarmonicLowerBound(Object o) -> HarmonicLowerBound"""
603 return _IMP_core._object_cast_to_HarmonicLowerBound(o)
605 _object_types.append(
"HarmonicUpperBound")
608 def _object_cast_to_HarmonicUpperBound(o):
609 r"""_object_cast_to_HarmonicUpperBound(Object o) -> HarmonicUpperBound"""
610 return _IMP_core._object_cast_to_HarmonicUpperBound(o)
612 _object_types.append(
"HarmonicSphereDistancePairScore")
615 def _object_cast_to_HarmonicSphereDistancePairScore(o):
616 r"""_object_cast_to_HarmonicSphereDistancePairScore(Object o) -> HarmonicSphereDistancePairScore"""
617 return _IMP_core._object_cast_to_HarmonicSphereDistancePairScore(o)
619 _object_types.append(
"HarmonicUpperBoundSphereDistancePairScore")
622 def _object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o):
623 r"""_object_cast_to_HarmonicUpperBoundSphereDistancePairScore(Object o) -> HarmonicUpperBoundSphereDistancePairScore"""
624 return _IMP_core._object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o)
626 _object_types.append(
"HarmonicUpperBoundSphereDiameterPairScore")
629 def _object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o):
630 r"""_object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(Object o) -> HarmonicUpperBoundSphereDiameterPairScore"""
631 return _IMP_core._object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o)
633 _object_types.append(
"HarmonicSurfaceDistancePairScore")
636 def _object_cast_to_HarmonicSurfaceDistancePairScore(o):
637 r"""_object_cast_to_HarmonicSurfaceDistancePairScore(Object o) -> HarmonicSurfaceDistancePairScore"""
638 return _IMP_core._object_cast_to_HarmonicSurfaceDistancePairScore(o)
640 _object_types.append(
"HarmonicSurfaceHeightPairScore")
643 def _object_cast_to_HarmonicSurfaceHeightPairScore(o):
644 r"""_object_cast_to_HarmonicSurfaceHeightPairScore(Object o) -> HarmonicSurfaceHeightPairScore"""
645 return _IMP_core._object_cast_to_HarmonicSurfaceHeightPairScore(o)
647 _object_types.append(
"HarmonicSurfaceDepthPairScore")
650 def _object_cast_to_HarmonicSurfaceDepthPairScore(o):
651 r"""_object_cast_to_HarmonicSurfaceDepthPairScore(Object o) -> HarmonicSurfaceDepthPairScore"""
652 return _IMP_core._object_cast_to_HarmonicSurfaceDepthPairScore(o)
654 _object_types.append(
"WeightedSum")
657 def _object_cast_to_WeightedSum(o):
658 r"""_object_cast_to_WeightedSum(Object o) -> WeightedSum"""
659 return _IMP_core._object_cast_to_WeightedSum(o)
661 _object_types.append(
"WeightedSumOfExponential")
664 def _object_cast_to_WeightedSumOfExponential(o):
665 r"""_object_cast_to_WeightedSumOfExponential(Object o) -> WeightedSumOfExponential"""
666 return _IMP_core._object_cast_to_WeightedSumOfExponential(o)
668 _object_types.append(
"KClosePairsPairScore")
671 def _object_cast_to_KClosePairsPairScore(o):
672 r"""_object_cast_to_KClosePairsPairScore(Object o) -> KClosePairsPairScore"""
673 return _IMP_core._object_cast_to_KClosePairsPairScore(o)
675 _object_types.append(
"LeavesRefiner")
678 def _object_cast_to_LeavesRefiner(o):
679 r"""_object_cast_to_LeavesRefiner(Object o) -> LeavesRefiner"""
680 return _IMP_core._object_cast_to_LeavesRefiner(o)
682 _object_types.append(
"Linear")
685 def _object_cast_to_Linear(o):
686 r"""_object_cast_to_Linear(Object o) -> Linear"""
687 return _IMP_core._object_cast_to_Linear(o)
689 _object_types.append(
"LogNormalMover")
692 def _object_cast_to_LogNormalMover(o):
693 r"""_object_cast_to_LogNormalMover(Object o) -> LogNormalMover"""
694 return _IMP_core._object_cast_to_LogNormalMover(o)
696 _object_types.append(
"MCCGSampler")
699 def _object_cast_to_MCCGSampler(o):
700 r"""_object_cast_to_MCCGSampler(Object o) -> MCCGSampler"""
701 return _IMP_core._object_cast_to_MCCGSampler(o)
703 _object_types.append(
"MonteCarlo")
706 def _object_cast_to_MonteCarlo(o):
707 r"""_object_cast_to_MonteCarlo(Object o) -> MonteCarlo"""
708 return _IMP_core._object_cast_to_MonteCarlo(o)
710 _object_types.append(
"MonteCarloWithLocalOptimization")
713 def _object_cast_to_MonteCarloWithLocalOptimization(o):
714 r"""_object_cast_to_MonteCarloWithLocalOptimization(Object o) -> MonteCarloWithLocalOptimization"""
715 return _IMP_core._object_cast_to_MonteCarloWithLocalOptimization(o)
717 _object_types.append(
"MonteCarloWithBasinHopping")
720 def _object_cast_to_MonteCarloWithBasinHopping(o):
721 r"""_object_cast_to_MonteCarloWithBasinHopping(Object o) -> MonteCarloWithBasinHopping"""
722 return _IMP_core._object_cast_to_MonteCarloWithBasinHopping(o)
724 _object_types.append(
"MSConnectivityRestraint")
727 def _object_cast_to_MSConnectivityRestraint(o):
728 r"""_object_cast_to_MSConnectivityRestraint(Object o) -> MSConnectivityRestraint"""
729 return _IMP_core._object_cast_to_MSConnectivityRestraint(o)
731 _object_types.append(
"NeighborsTable")
734 def _object_cast_to_NeighborsTable(o):
735 r"""_object_cast_to_NeighborsTable(Object o) -> NeighborsTable"""
736 return _IMP_core._object_cast_to_NeighborsTable(o)
738 _object_types.append(
"NormalMover")
741 def _object_cast_to_NormalMover(o):
742 r"""_object_cast_to_NormalMover(Object o) -> NormalMover"""
743 return _IMP_core._object_cast_to_NormalMover(o)
745 _object_types.append(
"NormalizedSphereDistancePairScore")
748 def _object_cast_to_NormalizedSphereDistancePairScore(o):
749 r"""_object_cast_to_NormalizedSphereDistancePairScore(Object o) -> NormalizedSphereDistancePairScore"""
750 return _IMP_core._object_cast_to_NormalizedSphereDistancePairScore(o)
752 _object_types.append(
"OpenCubicSpline")
755 def _object_cast_to_OpenCubicSpline(o):
756 r"""_object_cast_to_OpenCubicSpline(Object o) -> OpenCubicSpline"""
757 return _IMP_core._object_cast_to_OpenCubicSpline(o)
759 _object_types.append(
"PairConstraint")
762 def _object_cast_to_PairConstraint(o):
763 r"""_object_cast_to_PairConstraint(Object o) -> PairConstraint"""
764 return _IMP_core._object_cast_to_PairConstraint(o)
766 _object_types.append(
"PairRestraint")
769 def _object_cast_to_PairRestraint(o):
770 r"""_object_cast_to_PairRestraint(Object o) -> PairRestraint"""
771 return _IMP_core._object_cast_to_PairRestraint(o)
773 _object_types.append(
"QuadConstraint")
776 def _object_cast_to_QuadConstraint(o):
777 r"""_object_cast_to_QuadConstraint(Object o) -> QuadConstraint"""
778 return _IMP_core._object_cast_to_QuadConstraint(o)
780 _object_types.append(
"QuadRestraint")
783 def _object_cast_to_QuadRestraint(o):
784 r"""_object_cast_to_QuadRestraint(Object o) -> QuadRestraint"""
785 return _IMP_core._object_cast_to_QuadRestraint(o)
787 _object_types.append(
"QuadraticClosePairsFinder")
790 def _object_cast_to_QuadraticClosePairsFinder(o):
791 r"""_object_cast_to_QuadraticClosePairsFinder(Object o) -> QuadraticClosePairsFinder"""
792 return _IMP_core._object_cast_to_QuadraticClosePairsFinder(o)
794 _object_types.append(
"RefinedPairsPairScore")
797 def _object_cast_to_RefinedPairsPairScore(o):
798 r"""_object_cast_to_RefinedPairsPairScore(Object o) -> RefinedPairsPairScore"""
799 return _IMP_core._object_cast_to_RefinedPairsPairScore(o)
801 _object_types.append(
"RestraintsScoringFunction")
804 def _object_cast_to_RestraintsScoringFunction(o):
805 r"""_object_cast_to_RestraintsScoringFunction(Object o) -> RestraintsScoringFunction"""
806 return _IMP_core._object_cast_to_RestraintsScoringFunction(o)
808 _object_types.append(
"RigidBodyDistancePairScore")
811 def _object_cast_to_RigidBodyDistancePairScore(o):
812 r"""_object_cast_to_RigidBodyDistancePairScore(Object o) -> RigidBodyDistancePairScore"""
813 return _IMP_core._object_cast_to_RigidBodyDistancePairScore(o)
815 _object_types.append(
"RigidBodyAnglePairScore")
818 def _object_cast_to_RigidBodyAnglePairScore(o):
819 r"""_object_cast_to_RigidBodyAnglePairScore(Object o) -> RigidBodyAnglePairScore"""
820 return _IMP_core._object_cast_to_RigidBodyAnglePairScore(o)
822 _object_types.append(
"RigidBodyMover")
825 def _object_cast_to_RigidBodyMover(o):
826 r"""_object_cast_to_RigidBodyMover(Object o) -> RigidBodyMover"""
827 return _IMP_core._object_cast_to_RigidBodyMover(o)
829 _object_types.append(
"RigidBodyTunneler")
832 def _object_cast_to_RigidBodyTunneler(o):
833 r"""_object_cast_to_RigidBodyTunneler(Object o) -> RigidBodyTunneler"""
834 return _IMP_core._object_cast_to_RigidBodyTunneler(o)
836 _object_types.append(
"RigidBodyUmbrella")
839 def _object_cast_to_RigidBodyUmbrella(o):
840 r"""_object_cast_to_RigidBodyUmbrella(Object o) -> RigidBodyUmbrella"""
841 return _IMP_core._object_cast_to_RigidBodyUmbrella(o)
843 _object_types.append(
"_UpdateRigidBodyMembers")
846 def _object_cast_to__UpdateRigidBodyMembers(o):
847 r"""_object_cast_to__UpdateRigidBodyMembers(Object o) -> _UpdateRigidBodyMembers"""
848 return _IMP_core._object_cast_to__UpdateRigidBodyMembers(o)
850 _object_types.append(
"_AccumulateRigidBodyDerivatives")
853 def _object_cast_to__AccumulateRigidBodyDerivatives(o):
854 r"""_object_cast_to__AccumulateRigidBodyDerivatives(Object o) -> _AccumulateRigidBodyDerivatives"""
855 return _IMP_core._object_cast_to__AccumulateRigidBodyDerivatives(o)
857 _object_types.append(
"_RigidBodyNormalizeConstraint")
860 def _object_cast_to__RigidBodyNormalizeConstraint(o):
861 r"""_object_cast_to__RigidBodyNormalizeConstraint(Object o) -> _RigidBodyNormalizeConstraint"""
862 return _IMP_core._object_cast_to__RigidBodyNormalizeConstraint(o)
864 _object_types.append(
"_NormalizeRotation")
867 def _object_cast_to__NormalizeRotation(o):
868 r"""_object_cast_to__NormalizeRotation(Object o) -> _NormalizeRotation"""
869 return _IMP_core._object_cast_to__NormalizeRotation(o)
871 _object_types.append(
"_RigidBodyPositionConstraint")
874 def _object_cast_to__RigidBodyPositionConstraint(o):
875 r"""_object_cast_to__RigidBodyPositionConstraint(Object o) -> _RigidBodyPositionConstraint"""
876 return _IMP_core._object_cast_to__RigidBodyPositionConstraint(o)
878 _object_types.append(
"RigidClosePairsFinder")
881 def _object_cast_to_RigidClosePairsFinder(o):
882 r"""_object_cast_to_RigidClosePairsFinder(Object o) -> RigidClosePairsFinder"""
883 return _IMP_core._object_cast_to_RigidClosePairsFinder(o)
885 _object_types.append(
"RigidMembersRefiner")
888 def _object_cast_to_RigidMembersRefiner(o):
889 r"""_object_cast_to_RigidMembersRefiner(Object o) -> RigidMembersRefiner"""
890 return _IMP_core._object_cast_to_RigidMembersRefiner(o)
892 _object_types.append(
"SingletonConstraint")
895 def _object_cast_to_SingletonConstraint(o):
896 r"""_object_cast_to_SingletonConstraint(Object o) -> SingletonConstraint"""
897 return _IMP_core._object_cast_to_SingletonConstraint(o)
899 _object_types.append(
"SingletonRestraint")
902 def _object_cast_to_SingletonRestraint(o):
903 r"""_object_cast_to_SingletonRestraint(Object o) -> SingletonRestraint"""
904 return _IMP_core._object_cast_to_SingletonRestraint(o)
906 _object_types.append(
"SoftSpherePairScore")
909 def _object_cast_to_SoftSpherePairScore(o):
910 r"""_object_cast_to_SoftSpherePairScore(Object o) -> SoftSpherePairScore"""
911 return _IMP_core._object_cast_to_SoftSpherePairScore(o)
913 _object_types.append(
"_SphereDistancePairScore")
916 def _object_cast_to__SphereDistancePairScore(o):
917 r"""_object_cast_to__SphereDistancePairScore(Object o) -> _SphereDistancePairScore"""
918 return _IMP_core._object_cast_to__SphereDistancePairScore(o)
920 _object_types.append(
"SphereDistanceToSingletonScore")
923 def _object_cast_to_SphereDistanceToSingletonScore(o):
924 r"""_object_cast_to_SphereDistanceToSingletonScore(Object o) -> SphereDistanceToSingletonScore"""
925 return _IMP_core._object_cast_to_SphereDistanceToSingletonScore(o)
927 _object_types.append(
"SoftSubSurfacePairScore")
930 def _object_cast_to_SoftSubSurfacePairScore(o):
931 r"""_object_cast_to_SoftSubSurfacePairScore(Object o) -> SoftSubSurfacePairScore"""
932 return _IMP_core._object_cast_to_SoftSubSurfacePairScore(o)
934 _object_types.append(
"SoftSuperSurfacePairScore")
937 def _object_cast_to_SoftSuperSurfacePairScore(o):
938 r"""_object_cast_to_SoftSuperSurfacePairScore(Object o) -> SoftSuperSurfacePairScore"""
939 return _IMP_core._object_cast_to_SoftSuperSurfacePairScore(o)
941 _object_types.append(
"SurfaceDistancePairScore")
944 def _object_cast_to_SurfaceDistancePairScore(o):
945 r"""_object_cast_to_SurfaceDistancePairScore(Object o) -> SurfaceDistancePairScore"""
946 return _IMP_core._object_cast_to_SurfaceDistancePairScore(o)
948 _object_types.append(
"SurfaceHeightPairScore")
951 def _object_cast_to_SurfaceHeightPairScore(o):
952 r"""_object_cast_to_SurfaceHeightPairScore(Object o) -> SurfaceHeightPairScore"""
953 return _IMP_core._object_cast_to_SurfaceHeightPairScore(o)
955 _object_types.append(
"SurfaceDepthPairScore")
958 def _object_cast_to_SurfaceDepthPairScore(o):
959 r"""_object_cast_to_SurfaceDepthPairScore(Object o) -> SurfaceDepthPairScore"""
960 return _IMP_core._object_cast_to_SurfaceDepthPairScore(o)
962 _object_types.append(
"SurfaceTetheredChain")
965 def _object_cast_to_SurfaceTetheredChain(o):
966 r"""_object_cast_to_SurfaceTetheredChain(Object o) -> SurfaceTetheredChain"""
967 return _IMP_core._object_cast_to_SurfaceTetheredChain(o)
969 _object_types.append(
"SurfaceSymmetryConstraint")
972 def _object_cast_to_SurfaceSymmetryConstraint(o):
973 r"""_object_cast_to_SurfaceSymmetryConstraint(Object o) -> SurfaceSymmetryConstraint"""
974 return _IMP_core._object_cast_to_SurfaceSymmetryConstraint(o)
976 _object_types.append(
"SteepestDescent")
979 def _object_cast_to_SteepestDescent(o):
980 r"""_object_cast_to_SteepestDescent(Object o) -> SteepestDescent"""
981 return _IMP_core._object_cast_to_SteepestDescent(o)
983 _object_types.append(
"TableRefiner")
986 def _object_cast_to_TableRefiner(o):
987 r"""_object_cast_to_TableRefiner(Object o) -> TableRefiner"""
988 return _IMP_core._object_cast_to_TableRefiner(o)
990 _object_types.append(
"Transform")
993 def _object_cast_to_Transform(o):
994 r"""_object_cast_to_Transform(Object o) -> Transform"""
995 return _IMP_core._object_cast_to_Transform(o)
997 _object_types.append(
"TransformationAndReflectionSymmetry")
1000 def _object_cast_to_TransformationAndReflectionSymmetry(o):
1001 r"""_object_cast_to_TransformationAndReflectionSymmetry(Object o) -> TransformationAndReflectionSymmetry"""
1002 return _IMP_core._object_cast_to_TransformationAndReflectionSymmetry(o)
1004 _object_types.append(
"TransformationSymmetry")
1007 def _object_cast_to_TransformationSymmetry(o):
1008 r"""_object_cast_to_TransformationSymmetry(Object o) -> TransformationSymmetry"""
1009 return _IMP_core._object_cast_to_TransformationSymmetry(o)
1011 _object_types.append(
"TransformationSymmetryMover")
1014 def _object_cast_to_TransformationSymmetryMover(o):
1015 r"""_object_cast_to_TransformationSymmetryMover(Object o) -> TransformationSymmetryMover"""
1016 return _IMP_core._object_cast_to_TransformationSymmetryMover(o)
1018 _object_types.append(
"TransformedDistancePairScore")
1021 def _object_cast_to_TransformedDistancePairScore(o):
1022 r"""_object_cast_to_TransformedDistancePairScore(Object o) -> TransformedDistancePairScore"""
1023 return _IMP_core._object_cast_to_TransformedDistancePairScore(o)
1025 _object_types.append(
"TripletConstraint")
1028 def _object_cast_to_TripletConstraint(o):
1029 r"""_object_cast_to_TripletConstraint(Object o) -> TripletConstraint"""
1030 return _IMP_core._object_cast_to_TripletConstraint(o)
1032 _object_types.append(
"TripletRestraint")
1035 def _object_cast_to_TripletRestraint(o):
1036 r"""_object_cast_to_TripletRestraint(Object o) -> TripletRestraint"""
1037 return _IMP_core._object_cast_to_TripletRestraint(o)
1039 _object_types.append(
"TypedPairScore")
1042 def _object_cast_to_TypedPairScore(o):
1043 r"""_object_cast_to_TypedPairScore(Object o) -> TypedPairScore"""
1044 return _IMP_core._object_cast_to_TypedPairScore(o)
1046 _object_types.append(
"VolumeRestraint")
1049 def _object_cast_to_VolumeRestraint(o):
1050 r"""_object_cast_to_VolumeRestraint(Object o) -> VolumeRestraint"""
1051 return _IMP_core._object_cast_to_VolumeRestraint(o)
1053 _object_types.append(
"WeightedSphereDistancePairScore")
1056 def _object_cast_to_WeightedSphereDistancePairScore(o):
1057 r"""_object_cast_to_WeightedSphereDistancePairScore(Object o) -> WeightedSphereDistancePairScore"""
1058 return _IMP_core._object_cast_to_WeightedSphereDistancePairScore(o)
1060 _object_types.append(
"MoveStatisticsScoreState")
1063 def _object_cast_to_MoveStatisticsScoreState(o):
1064 r"""_object_cast_to_MoveStatisticsScoreState(Object o) -> MoveStatisticsScoreState"""
1065 return _IMP_core._object_cast_to_MoveStatisticsScoreState(o)
1067 _object_types.append(
"MinimumRestraint")
1070 def _object_cast_to_MinimumRestraint(o):
1071 r"""_object_cast_to_MinimumRestraint(Object o) -> MinimumRestraint"""
1072 return _IMP_core._object_cast_to_MinimumRestraint(o)
1074 _object_types.append(
"WriteRestraintScoresOptimizerState")
1077 def _object_cast_to_WriteRestraintScoresOptimizerState(o):
1078 r"""_object_cast_to_WriteRestraintScoresOptimizerState(Object o) -> WriteRestraintScoresOptimizerState"""
1079 return _IMP_core._object_cast_to_WriteRestraintScoresOptimizerState(o)
1081 _object_types.append(
"LateralSurfaceConstraint")
1084 def _object_cast_to_LateralSurfaceConstraint(o):
1085 r"""_object_cast_to_LateralSurfaceConstraint(Object o) -> LateralSurfaceConstraint"""
1086 return _IMP_core._object_cast_to_LateralSurfaceConstraint(o)
1088 _object_types.append(
"ConstantSingletonPredicate")
1091 def _object_cast_to_ConstantSingletonPredicate(o):
1092 r"""_object_cast_to_ConstantSingletonPredicate(Object o) -> ConstantSingletonPredicate"""
1093 return _IMP_core._object_cast_to_ConstantSingletonPredicate(o)
1095 _object_types.append(
"ConstantPairPredicate")
1098 def _object_cast_to_ConstantPairPredicate(o):
1099 r"""_object_cast_to_ConstantPairPredicate(Object o) -> ConstantPairPredicate"""
1100 return _IMP_core._object_cast_to_ConstantPairPredicate(o)
1102 _object_types.append(
"ConstantTripletPredicate")
1105 def _object_cast_to_ConstantTripletPredicate(o):
1106 r"""_object_cast_to_ConstantTripletPredicate(Object o) -> ConstantTripletPredicate"""
1107 return _IMP_core._object_cast_to_ConstantTripletPredicate(o)
1109 _object_types.append(
"ConstantQuadPredicate")
1112 def _object_cast_to_ConstantQuadPredicate(o):
1113 r"""_object_cast_to_ConstantQuadPredicate(Object o) -> ConstantQuadPredicate"""
1114 return _IMP_core._object_cast_to_ConstantQuadPredicate(o)
1116 _object_types.append(
"CoinFlipSingletonPredicate")
1119 def _object_cast_to_CoinFlipSingletonPredicate(o):
1120 r"""_object_cast_to_CoinFlipSingletonPredicate(Object o) -> CoinFlipSingletonPredicate"""
1121 return _IMP_core._object_cast_to_CoinFlipSingletonPredicate(o)
1123 _object_types.append(
"CoinFlipPairPredicate")
1126 def _object_cast_to_CoinFlipPairPredicate(o):
1127 r"""_object_cast_to_CoinFlipPairPredicate(Object o) -> CoinFlipPairPredicate"""
1128 return _IMP_core._object_cast_to_CoinFlipPairPredicate(o)
1130 _object_types.append(
"CoinFlipTripletPredicate")
1133 def _object_cast_to_CoinFlipTripletPredicate(o):
1134 r"""_object_cast_to_CoinFlipTripletPredicate(Object o) -> CoinFlipTripletPredicate"""
1135 return _IMP_core._object_cast_to_CoinFlipTripletPredicate(o)
1137 _object_types.append(
"CoinFlipQuadPredicate")
1140 def _object_cast_to_CoinFlipQuadPredicate(o):
1141 r"""_object_cast_to_CoinFlipQuadPredicate(Object o) -> CoinFlipQuadPredicate"""
1142 return _IMP_core._object_cast_to_CoinFlipQuadPredicate(o)
1144 _object_types.append(
"UnorderedTypeSingletonPredicate")
1147 def _object_cast_to_UnorderedTypeSingletonPredicate(o):
1148 r"""_object_cast_to_UnorderedTypeSingletonPredicate(Object o) -> UnorderedTypeSingletonPredicate"""
1149 return _IMP_core._object_cast_to_UnorderedTypeSingletonPredicate(o)
1151 _object_types.append(
"UnorderedTypePairPredicate")
1154 def _object_cast_to_UnorderedTypePairPredicate(o):
1155 r"""_object_cast_to_UnorderedTypePairPredicate(Object o) -> UnorderedTypePairPredicate"""
1156 return _IMP_core._object_cast_to_UnorderedTypePairPredicate(o)
1158 _object_types.append(
"UnorderedTypeTripletPredicate")
1161 def _object_cast_to_UnorderedTypeTripletPredicate(o):
1162 r"""_object_cast_to_UnorderedTypeTripletPredicate(Object o) -> UnorderedTypeTripletPredicate"""
1163 return _IMP_core._object_cast_to_UnorderedTypeTripletPredicate(o)
1165 _object_types.append(
"UnorderedTypeQuadPredicate")
1168 def _object_cast_to_UnorderedTypeQuadPredicate(o):
1169 r"""_object_cast_to_UnorderedTypeQuadPredicate(Object o) -> UnorderedTypeQuadPredicate"""
1170 return _IMP_core._object_cast_to_UnorderedTypeQuadPredicate(o)
1172 _object_types.append(
"OrderedTypeSingletonPredicate")
1175 def _object_cast_to_OrderedTypeSingletonPredicate(o):
1176 r"""_object_cast_to_OrderedTypeSingletonPredicate(Object o) -> OrderedTypeSingletonPredicate"""
1177 return _IMP_core._object_cast_to_OrderedTypeSingletonPredicate(o)
1179 _object_types.append(
"OrderedTypePairPredicate")
1182 def _object_cast_to_OrderedTypePairPredicate(o):
1183 r"""_object_cast_to_OrderedTypePairPredicate(Object o) -> OrderedTypePairPredicate"""
1184 return _IMP_core._object_cast_to_OrderedTypePairPredicate(o)
1186 _object_types.append(
"OrderedTypeTripletPredicate")
1189 def _object_cast_to_OrderedTypeTripletPredicate(o):
1190 r"""_object_cast_to_OrderedTypeTripletPredicate(Object o) -> OrderedTypeTripletPredicate"""
1191 return _IMP_core._object_cast_to_OrderedTypeTripletPredicate(o)
1193 _object_types.append(
"OrderedTypeQuadPredicate")
1196 def _object_cast_to_OrderedTypeQuadPredicate(o):
1197 r"""_object_cast_to_OrderedTypeQuadPredicate(Object o) -> OrderedTypeQuadPredicate"""
1198 return _IMP_core._object_cast_to_OrderedTypeQuadPredicate(o)
1200 _object_types.append(
"AllSameSingletonPredicate")
1203 def _object_cast_to_AllSameSingletonPredicate(o):
1204 r"""_object_cast_to_AllSameSingletonPredicate(Object o) -> AllSameSingletonPredicate"""
1205 return _IMP_core._object_cast_to_AllSameSingletonPredicate(o)
1207 _object_types.append(
"AllSamePairPredicate")
1210 def _object_cast_to_AllSamePairPredicate(o):
1211 r"""_object_cast_to_AllSamePairPredicate(Object o) -> AllSamePairPredicate"""
1212 return _IMP_core._object_cast_to_AllSamePairPredicate(o)
1214 _object_types.append(
"AllSameTripletPredicate")
1217 def _object_cast_to_AllSameTripletPredicate(o):
1218 r"""_object_cast_to_AllSameTripletPredicate(Object o) -> AllSameTripletPredicate"""
1219 return _IMP_core._object_cast_to_AllSameTripletPredicate(o)
1221 _object_types.append(
"AllSameQuadPredicate")
1224 def _object_cast_to_AllSameQuadPredicate(o):
1225 r"""_object_cast_to_AllSameQuadPredicate(Object o) -> AllSameQuadPredicate"""
1226 return _IMP_core._object_cast_to_AllSameQuadPredicate(o)
1229 return [XYZ(x)
for x
in l]
1230 _plural_types.append(
"XYZs")
1233 _value_types.append(
"XYZ")
1237 return [XYZR(x)
for x
in l]
1238 _plural_types.append(
"XYZRs")
1241 _value_types.append(
"XYZR")
1244 def RigidBodies(l=[]):
1245 return [RigidBody(x)
for x
in l]
1246 _plural_types.append(
"RigidBodies")
1249 _value_types.append(
"RigidBody")
1252 def RigidBodyMembers(l=[]):
1253 return [RigidBodyMember(x)
for x
in l]
1254 _plural_types.append(
"RigidBodyMembers")
1257 _value_types.append(
"RigidBodyMember")
1260 def RigidMembers(l=[]):
1261 return [RigidMember(x)
for x
in l]
1262 _plural_types.append(
"RigidMembers")
1265 _value_types.append(
"RigidMember")
1268 def NonRigidMembers(l=[]):
1269 return [NonRigidMember(x)
for x
in l]
1270 _plural_types.append(
"NonRigidMembers")
1273 _value_types.append(
"NonRigidMember")
1276 def Centroids(l=[]):
1277 return [Centroid(x)
for x
in l]
1278 _plural_types.append(
"Centroids")
1281 _value_types.append(
"Centroid")
1285 return [Cover(x)
for x
in l]
1286 _plural_types.append(
"Covers")
1289 _value_types.append(
"Cover")
1292 def References(l=[]):
1293 return [Reference(x)
for x
in l]
1294 _plural_types.append(
"References")
1297 _value_types.append(
"Reference")
1301 _plural_types.append(
"ParticleTypes")
1302 _value_types.append(
"ParticleType")
1306 return [Typed(x)
for x
in l]
1307 _plural_types.append(
"Typeds")
1310 _value_types.append(
"Typed")
1313 def GenericHierarchies(l=[]):
1314 return [Hierarchy(x)
for x
in l]
1315 _plural_types.append(
"GenericHierarchies")
1318 _value_types.append(
"Hierarchy")
1321 def Gaussians(l=[]):
1322 return [Gaussian(x)
for x
in l]
1323 _plural_types.append(
"Gaussians")
1326 _value_types.append(
"Gaussian")
1329 def Directions(l=[]):
1330 return [Direction(x)
for x
in l]
1331 _plural_types.append(
"Directions")
1334 _value_types.append(
"Direction")
1337 def DirectionAngles(l=[]):
1338 return [DirectionAngle(x)
for x
in l]
1339 _plural_types.append(
"DirectionAngles")
1342 _value_types.append(
"DirectionAngle")
1346 return [Surface(x)
for x
in l]
1347 _plural_types.append(
"Surfaces")
1350 _value_types.append(
"Surface")
1353 def Provenances(l=[]):
1354 return [Provenance(x)
for x
in l]
1355 _plural_types.append(
"Provenances")
1358 _value_types.append(
"Provenance")
1361 def StructureProvenances(l=[]):
1362 return [StructureProvenance(x)
for x
in l]
1363 _plural_types.append(
"StructureProvenances")
1366 _value_types.append(
"StructureProvenance")
1369 def SampleProvenances(l=[]):
1370 return [SampleProvenance(x)
for x
in l]
1371 _plural_types.append(
"SampleProvenances")
1374 _value_types.append(
"SampleProvenance")
1377 def ClusterProvenances(l=[]):
1378 return [ClusterProvenance(x)
for x
in l]
1379 _plural_types.append(
"ClusterProvenances")
1382 _value_types.append(
"ClusterProvenance")
1385 def CombineProvenances(l=[]):
1386 return [CombineProvenance(x)
for x
in l]
1387 _plural_types.append(
"CombineProvenances")
1390 _value_types.append(
"CombineProvenance")
1393 def FilterProvenances(l=[]):
1394 return [FilterProvenance(x)
for x
in l]
1395 _plural_types.append(
"FilterProvenances")
1398 _value_types.append(
"FilterProvenance")
1401 def ScriptProvenances(l=[]):
1402 return [ScriptProvenance(x)
for x
in l]
1403 _plural_types.append(
"ScriptProvenances")
1406 _value_types.append(
"ScriptProvenance")
1409 def SoftwareProvenances(l=[]):
1410 return [SoftwareProvenance(x)
for x
in l]
1411 _plural_types.append(
"SoftwareProvenances")
1414 _value_types.append(
"SoftwareProvenance")
1417 def Provenanceds(l=[]):
1418 return [Provenanced(x)
for x
in l]
1419 _plural_types.append(
"Provenanceds")
1422 _value_types.append(
"Provenanced")
1425 HierarchyCounters=list
1426 _plural_types.append(
"HierarchyCounters")
1427 _value_types.append(
"HierarchyCounter")
1430 HierarchyTraitsList=list
1431 _plural_types.append(
"HierarchyTraitsList")
1432 _value_types.append(
"HierarchyTraits")
1435 _object_types.append(
"TruncatedHarmonicBound")
1438 def _object_cast_to_TruncatedHarmonicBound(o):
1439 r"""_object_cast_to_TruncatedHarmonicBound(Object o) -> TruncatedHarmonicBound"""
1440 return _IMP_core._object_cast_to_TruncatedHarmonicBound(o)
1442 _object_types.append(
"TruncatedHarmonicLowerBound")
1445 def _object_cast_to_TruncatedHarmonicLowerBound(o):
1446 r"""_object_cast_to_TruncatedHarmonicLowerBound(Object o) -> TruncatedHarmonicLowerBound"""
1447 return _IMP_core._object_cast_to_TruncatedHarmonicLowerBound(o)
1449 _object_types.append(
"TruncatedHarmonicUpperBound")
1452 def _object_cast_to_TruncatedHarmonicUpperBound(o):
1453 r"""_object_cast_to_TruncatedHarmonicUpperBound(Object o) -> TruncatedHarmonicUpperBound"""
1454 return _IMP_core._object_cast_to_TruncatedHarmonicUpperBound(o)
1456 _object_types.append(
"HarmonicDistancePairScore")
1459 def _object_cast_to_HarmonicDistancePairScore(o):
1460 r"""_object_cast_to_HarmonicDistancePairScore(Object o) -> HarmonicDistancePairScore"""
1461 return _IMP_core._object_cast_to_HarmonicDistancePairScore(o)
1463 _object_types.append(
"DistancePairScore")
1466 def _object_cast_to_DistancePairScore(o):
1467 r"""_object_cast_to_DistancePairScore(Object o) -> DistancePairScore"""
1468 return _IMP_core._object_cast_to_DistancePairScore(o)
1470 _object_types.append(
"XYZRGeometry")
1473 def _object_cast_to_XYZRGeometry(o):
1474 r"""_object_cast_to_XYZRGeometry(Object o) -> XYZRGeometry"""
1475 return _IMP_core._object_cast_to_XYZRGeometry(o)
1477 _object_types.append(
"XYZRsGeometry")
1480 def _object_cast_to_XYZRsGeometry(o):
1481 r"""_object_cast_to_XYZRsGeometry(Object o) -> XYZRsGeometry"""
1482 return _IMP_core._object_cast_to_XYZRsGeometry(o)
1484 _object_types.append(
"XYZDerivativeGeometry")
1487 def _object_cast_to_XYZDerivativeGeometry(o):
1488 r"""_object_cast_to_XYZDerivativeGeometry(Object o) -> XYZDerivativeGeometry"""
1489 return _IMP_core._object_cast_to_XYZDerivativeGeometry(o)
1491 _object_types.append(
"XYZDerivativesGeometry")
1494 def _object_cast_to_XYZDerivativesGeometry(o):
1495 r"""_object_cast_to_XYZDerivativesGeometry(Object o) -> XYZDerivativesGeometry"""
1496 return _IMP_core._object_cast_to_XYZDerivativesGeometry(o)
1498 _object_types.append(
"RigidBodyDerivativeGeometry")
1501 def _object_cast_to_RigidBodyDerivativeGeometry(o):
1502 r"""_object_cast_to_RigidBodyDerivativeGeometry(Object o) -> RigidBodyDerivativeGeometry"""
1503 return _IMP_core._object_cast_to_RigidBodyDerivativeGeometry(o)
1505 _object_types.append(
"RigidBodyDerivativesGeometry")
1508 def _object_cast_to_RigidBodyDerivativesGeometry(o):
1509 r"""_object_cast_to_RigidBodyDerivativesGeometry(Object o) -> RigidBodyDerivativesGeometry"""
1510 return _IMP_core._object_cast_to_RigidBodyDerivativesGeometry(o)
1512 _object_types.append(
"RigidBodyHierarchyGeometry")
1515 def _object_cast_to_RigidBodyHierarchyGeometry(o):
1516 r"""_object_cast_to_RigidBodyHierarchyGeometry(Object o) -> RigidBodyHierarchyGeometry"""
1517 return _IMP_core._object_cast_to_RigidBodyHierarchyGeometry(o)
1519 _object_types.append(
"RigidBodyFrameGeometry")
1522 def _object_cast_to_RigidBodyFrameGeometry(o):
1523 r"""_object_cast_to_RigidBodyFrameGeometry(Object o) -> RigidBodyFrameGeometry"""
1524 return _IMP_core._object_cast_to_RigidBodyFrameGeometry(o)
1526 _object_types.append(
"RigidBodyFramesGeometry")
1529 def _object_cast_to_RigidBodyFramesGeometry(o):
1530 r"""_object_cast_to_RigidBodyFramesGeometry(Object o) -> RigidBodyFramesGeometry"""
1531 return _IMP_core._object_cast_to_RigidBodyFramesGeometry(o)
1533 _object_types.append(
"RigidBodyTorque")
1536 def _object_cast_to_RigidBodyTorque(o):
1537 r"""_object_cast_to_RigidBodyTorque(Object o) -> RigidBodyTorque"""
1538 return _IMP_core._object_cast_to_RigidBodyTorque(o)
1540 _object_types.append(
"EdgePairGeometry")
1543 def _object_cast_to_EdgePairGeometry(o):
1544 r"""_object_cast_to_EdgePairGeometry(Object o) -> EdgePairGeometry"""
1545 return _IMP_core._object_cast_to_EdgePairGeometry(o)
1547 _object_types.append(
"EdgePairsGeometry")
1550 def _object_cast_to_EdgePairsGeometry(o):
1551 r"""_object_cast_to_EdgePairsGeometry(Object o) -> EdgePairsGeometry"""
1552 return _IMP_core._object_cast_to_EdgePairsGeometry(o)
1554 _object_types.append(
"SurfaceGeometry")
1557 def _object_cast_to_SurfaceGeometry(o):
1558 r"""_object_cast_to_SurfaceGeometry(Object o) -> SurfaceGeometry"""
1559 return _IMP_core._object_cast_to_SurfaceGeometry(o)
1561 _object_types.append(
"SurfaceGeometryConstraint")
1564 def _object_cast_to_SurfaceGeometryConstraint(o):
1565 r"""_object_cast_to_SurfaceGeometryConstraint(Object o) -> SurfaceGeometryConstraint"""
1566 return _IMP_core._object_cast_to_SurfaceGeometryConstraint(o)
1568 _object_types.append(
"AttributeSingletonPredicate")
1571 def _object_cast_to_AttributeSingletonPredicate(o):
1572 r"""_object_cast_to_AttributeSingletonPredicate(Object o) -> AttributeSingletonPredicate"""
1573 return _IMP_core._object_cast_to_AttributeSingletonPredicate(o)
1575 _object_types.append(
"InBoundingBox3DSingletonPredicate")
1578 def _object_cast_to_InBoundingBox3DSingletonPredicate(o):
1579 r"""_object_cast_to_InBoundingBox3DSingletonPredicate(Object o) -> InBoundingBox3DSingletonPredicate"""
1580 return _IMP_core._object_cast_to_InBoundingBox3DSingletonPredicate(o)
1582 _object_types.append(
"IsCollisionPairPredicate")
1585 def _object_cast_to_IsCollisionPairPredicate(o):
1586 r"""_object_cast_to_IsCollisionPairPredicate(Object o) -> IsCollisionPairPredicate"""
1587 return _IMP_core._object_cast_to_IsCollisionPairPredicate(o)
1589 BinormalTermList=list
1590 _plural_types.append(
"BinormalTermList")
1591 _value_types.append(
"BinormalTerm")
1594 _object_types.append(
"MultipleBinormalRestraint")
1597 def _object_cast_to_MultipleBinormalRestraint(o):
1598 r"""_object_cast_to_MultipleBinormalRestraint(Object o) -> MultipleBinormalRestraint"""
1599 return _IMP_core._object_cast_to_MultipleBinormalRestraint(o)
1600 class ClosePairsFinder(IMP._ParticleInputs,
IMP.Object):
1601 r"""Proxy of C++ IMP::core::ClosePairsFinder class."""
1603 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1605 def __init__(self, *args, **kwargs):
1606 raise AttributeError(
"No constructor defined - class is abstract")
1607 __swig_destroy__ = _IMP_core.delete_ClosePairsFinder
1609 def get_close_pairs(self, *args):
1611 get_close_pairs(ClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
1612 get_close_pairs(ClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
1613 get_close_pairs(ClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
1614 get_close_pairs(ClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
1616 return _IMP_core.ClosePairsFinder_get_close_pairs(self, *args)
1618 def set_distance(self, d):
1619 r"""set_distance(ClosePairsFinder self, double d)"""
1620 return _IMP_core.ClosePairsFinder_set_distance(self, d)
1623 r"""get_distance(ClosePairsFinder self) -> double"""
1624 return _IMP_core.ClosePairsFinder_get_distance(self)
1625 def __get_pair_filters(self):
return IMP._list_util.VarList(getdimfunc=self.get_number_of_pair_filters, getfunc=self.get_pair_filter, erasefunc=self.erase_pair_filter, appendfunc=self.add_pair_filter, extendfunc=self.add_pair_filters, clearfunc=self.clear_pair_filters, indexfunc=self._python_index_pair_filter)
1626 def __set_pair_filters(self, obj): IMP._list_util.set_varlist(self.pair_filters, obj)
1627 def __del_pair_filters(self): IMP._list_util.del_varlist(self.pair_filters)
1628 pair_filters = property(__get_pair_filters, __set_pair_filters, __del_pair_filters, doc=
"List of ##ucnames")
1630 def remove_pair_filter(self, d):
1631 r"""remove_pair_filter(ClosePairsFinder self, PairPredicate d)"""
1632 return _IMP_core.ClosePairsFinder_remove_pair_filter(self, d)
1634 def _python_index_pair_filter(self, d, start, stop):
1635 r"""_python_index_pair_filter(ClosePairsFinder self, PairPredicate d, unsigned int start, unsigned int stop) -> unsigned int"""
1636 return _IMP_core.ClosePairsFinder__python_index_pair_filter(self, d, start, stop)
1638 def remove_pair_filters(self, d):
1639 r"""remove_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & d)"""
1640 return _IMP_core.ClosePairsFinder_remove_pair_filters(self, d)
1642 def set_pair_filters(self, ps):
1643 r"""set_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & ps)"""
1644 return _IMP_core.ClosePairsFinder_set_pair_filters(self, ps)
1646 def set_pair_filters_order(self, objs):
1647 r"""set_pair_filters_order(ClosePairsFinder self, IMP::PairPredicates const & objs)"""
1648 return _IMP_core.ClosePairsFinder_set_pair_filters_order(self, objs)
1650 def add_pair_filter(self, obj):
1651 r"""add_pair_filter(ClosePairsFinder self, PairPredicate obj) -> unsigned int"""
1652 return _IMP_core.ClosePairsFinder_add_pair_filter(self, obj)
1654 def add_pair_filters(self, objs):
1655 r"""add_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & objs)"""
1656 return _IMP_core.ClosePairsFinder_add_pair_filters(self, objs)
1658 def clear_pair_filters(self):
1659 r"""clear_pair_filters(ClosePairsFinder self)"""
1660 return _IMP_core.ClosePairsFinder_clear_pair_filters(self)
1662 def get_number_of_pair_filters(self):
1663 r"""get_number_of_pair_filters(ClosePairsFinder self) -> unsigned int"""
1664 return _IMP_core.ClosePairsFinder_get_number_of_pair_filters(self)
1666 def get_has_pair_filters(self):
1667 r"""get_has_pair_filters(ClosePairsFinder self) -> bool"""
1668 return _IMP_core.ClosePairsFinder_get_has_pair_filters(self)
1670 def get_pair_filter(self, i):
1671 r"""get_pair_filter(ClosePairsFinder self, unsigned int i) -> PairPredicate"""
1672 return _IMP_core.ClosePairsFinder_get_pair_filter(self, i)
1674 def get_pair_filters(self):
1675 r"""get_pair_filters(ClosePairsFinder self) -> IMP::PairPredicates"""
1676 return _IMP_core.ClosePairsFinder_get_pair_filters(self)
1678 def erase_pair_filter(self, i):
1679 r"""erase_pair_filter(ClosePairsFinder self, unsigned int i)"""
1680 return _IMP_core.ClosePairsFinder_erase_pair_filter(self, i)
1682 def reserve_pair_filters(self, sz):
1683 r"""reserve_pair_filters(ClosePairsFinder self, unsigned int sz)"""
1684 return _IMP_core.ClosePairsFinder_reserve_pair_filters(self, sz)
1687 r"""__str__(ClosePairsFinder self) -> std::string"""
1688 return _IMP_core.ClosePairsFinder___str__(self)
1691 r"""__repr__(ClosePairsFinder self) -> std::string"""
1692 return _IMP_core.ClosePairsFinder___repr__(self)
1696 return _object_cast_to_ClosePairsFinder(o)
1700 _IMP_core.ClosePairsFinder_swigregister(ClosePairsFinder)
1701 class MonteCarloMoverResult(IMP._Value):
1702 r"""Proxy of C++ IMP::core::MonteCarloMoverResult class."""
1704 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1706 def __init__(self, *args):
1707 r"""__init__(MonteCarloMoverResult self, IMP::ParticleIndexes i0=IMP::ParticleIndexes(), double i1=double()) -> MonteCarloMoverResult"""
1708 _IMP_core.MonteCarloMoverResult_swiginit(self, _IMP_core.new_MonteCarloMoverResult(*args))
1711 r"""__hash__(MonteCarloMoverResult self) -> std::size_t"""
1712 return _IMP_core.MonteCarloMoverResult___hash__(self)
1714 def show(self, *args):
1715 r"""show(MonteCarloMoverResult self, _ostream out=std::cout)"""
1716 return _IMP_core.MonteCarloMoverResult_show(self, *args)
1718 def __cmp__(self, o):
1719 r"""__cmp__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> int"""
1720 return _IMP_core.MonteCarloMoverResult___cmp__(self, o)
1722 def __eq__(self, o):
1723 r"""__eq__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1724 return _IMP_core.MonteCarloMoverResult___eq__(self, o)
1726 def __ne__(self, o):
1727 r"""__ne__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1728 return _IMP_core.MonteCarloMoverResult___ne__(self, o)
1730 def __lt__(self, o):
1731 r"""__lt__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1732 return _IMP_core.MonteCarloMoverResult___lt__(self, o)
1734 def __gt__(self, o):
1735 r"""__gt__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1736 return _IMP_core.MonteCarloMoverResult___gt__(self, o)
1738 def __ge__(self, o):
1739 r"""__ge__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1740 return _IMP_core.MonteCarloMoverResult___ge__(self, o)
1742 def __le__(self, o):
1743 r"""__le__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1744 return _IMP_core.MonteCarloMoverResult___le__(self, o)
1746 def get_moved_particles(self):
1747 r"""get_moved_particles(MonteCarloMoverResult self) -> IMP::ParticleIndexes const &"""
1748 return _IMP_core.MonteCarloMoverResult_get_moved_particles(self)
1750 def set_moved_particles(self, v):
1751 r"""set_moved_particles(MonteCarloMoverResult self, IMP::ParticleIndexes const & v)"""
1752 return _IMP_core.MonteCarloMoverResult_set_moved_particles(self, v)
1754 def get_proposal_ratio(self):
1755 r"""get_proposal_ratio(MonteCarloMoverResult self) -> double const &"""
1756 return _IMP_core.MonteCarloMoverResult_get_proposal_ratio(self)
1758 def set_proposal_ratio(self, v):
1759 r"""set_proposal_ratio(MonteCarloMoverResult self, double const & v)"""
1760 return _IMP_core.MonteCarloMoverResult_set_proposal_ratio(self, v)
1763 r"""__str__(MonteCarloMoverResult self) -> std::string"""
1764 return _IMP_core.MonteCarloMoverResult___str__(self)
1767 r"""__repr__(MonteCarloMoverResult self) -> std::string"""
1768 return _IMP_core.MonteCarloMoverResult___repr__(self)
1769 __swig_destroy__ = _IMP_core.delete_MonteCarloMoverResult
1772 _IMP_core.MonteCarloMoverResult_swigregister(MonteCarloMoverResult)
1774 r"""Proxy of C++ IMP::core::MonteCarloMover class."""
1776 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1778 def __init__(self, *args):
1780 __init__(MonteCarloMover self, Model m, std::string name) -> MonteCarloMover
1781 __init__(MonteCarloMover self) -> MonteCarloMover
1783 if self.__class__ == MonteCarloMover:
1787 _IMP_core.MonteCarloMover_swiginit(self, _IMP_core.new_MonteCarloMover(_self, *args))
1789 if self.__class__ != MonteCarloMover:
1790 _director_objects.register(self)
1796 r"""propose(MonteCarloMover self) -> MonteCarloMoverResult"""
1797 return _IMP_core.MonteCarloMover_propose(self)
1800 r"""reject(MonteCarloMover self)"""
1801 return _IMP_core.MonteCarloMover_reject(self)
1804 r"""accept(MonteCarloMover self)"""
1805 return _IMP_core.MonteCarloMover_accept(self)
1807 def get_number_of_proposed(self):
1808 r"""get_number_of_proposed(MonteCarloMover self) -> unsigned int"""
1809 return _IMP_core.MonteCarloMover_get_number_of_proposed(self)
1811 def get_number_of_accepted(self):
1812 r"""get_number_of_accepted(MonteCarloMover self) -> unsigned int"""
1813 return _IMP_core.MonteCarloMover_get_number_of_accepted(self)
1815 def reset_statistics(self):
1816 r"""reset_statistics(MonteCarloMover self)"""
1817 return _IMP_core.MonteCarloMover_reset_statistics(self)
1819 def add_to_statistics(self, num_proposed, num_rejected):
1820 r"""add_to_statistics(MonteCarloMover self, unsigned int num_proposed, unsigned int num_rejected)"""
1821 return _IMP_core.MonteCarloMover_add_to_statistics(self, num_proposed, num_rejected)
1823 def do_propose(self):
1824 r"""do_propose(MonteCarloMover self) -> MonteCarloMoverResult"""
1825 return _IMP_core.MonteCarloMover_do_propose(self)
1827 def do_reject(self):
1828 r"""do_reject(MonteCarloMover self)"""
1829 return _IMP_core.MonteCarloMover_do_reject(self)
1831 def do_accept(self):
1832 r"""do_accept(MonteCarloMover self)"""
1833 return _IMP_core.MonteCarloMover_do_accept(self)
1835 def do_get_outputs(self):
1836 r"""do_get_outputs(MonteCarloMover self) -> IMP::ModelObjectsTemp"""
1837 return _IMP_core.MonteCarloMover_do_get_outputs(self)
1840 r"""__str__(MonteCarloMover self) -> std::string"""
1841 return _IMP_core.MonteCarloMover___str__(self)
1844 r"""__repr__(MonteCarloMover self) -> std::string"""
1845 return _IMP_core.MonteCarloMover___repr__(self)
1849 return _object_cast_to_MonteCarloMover(o)
1852 def do_show(self, out):
1857 return _object_cast_to_MonteCarloMover(o)
1861 """Return a JAX implementation of this mover.
1862 Implement this method in a MonteCarloMover subclass to provide
1863 equivalent functionality using [JAX](https://docs.jax.dev/).
1864 See _wrap_jax for more information.
1866 raise NotImplementedError(f
"No JAX implementation for {self}")
1868 def _wrap_jax(self, init_func, propose_func, accept_func=None,
1870 """Create the return value for _get_jax.
1871 Use this method in _get_jax() to wrap the JAX functions
1872 with other mover-specific information.
1874 @param init_func a JAX function which is used to initialize this
1875 mover. It is called with a single argument, a fresh JAX
1876 random key, and should return a persistent state object.
1877 This object may be the key itself, or any other Python object
1878 that JAX understands.
1879 @param propose_func a JAX function which is called with the current
1880 JAX Model and the mover's persistent state object.
1881 It should return a new JAX Model with the move applied,
1882 a new persistent state, and the proposal ratio. If the move
1883 is rejected then the new JAX Model will be discarded.
1884 However, the mover's persistent state is updated for both
1885 accepted and rejected moves.
1886 @param accept_func if provided, a JAX function which is called
1887 after each accepted Monte Carlo move, with the persistent
1888 state object. It should return a new persistent state.
1889 @param sync_func If provided, a Python function which is called
1890 at the end of a Monte Carlo sampling run to sync mover
1891 data back to IMP. It is called with the persistent state
1892 and the IMP Mover object.
1894 from IMP.core._jax_util
import JAXMoverInfo
1895 return JAXMoverInfo(init_func, propose_func, accept_func, sync_func)
1897 __swig_destroy__ = _IMP_core.delete_MonteCarloMover
1898 def __disown__(self):
1900 _IMP_core.disown_MonteCarloMover(self)
1901 return weakref.proxy(self)
1903 def do_destroy(self):
1904 r"""do_destroy(MonteCarloMover self)"""
1905 return _IMP_core.MonteCarloMover_do_destroy(self)
1907 def handle_set_has_required_score_states(self, arg0):
1908 r"""handle_set_has_required_score_states(MonteCarloMover self, bool arg0)"""
1909 return _IMP_core.MonteCarloMover_handle_set_has_required_score_states(self, arg0)
1911 def do_get_inputs(self):
1912 r"""do_get_inputs(MonteCarloMover self) -> IMP::ModelObjectsTemp"""
1913 return _IMP_core.MonteCarloMover_do_get_inputs(self)
1915 def do_get_interactions(self):
1916 r"""do_get_interactions(MonteCarloMover self) -> IMP::ModelObjectsTemps"""
1917 return _IMP_core.MonteCarloMover_do_get_interactions(self)
1920 _IMP_core.MonteCarloMover_swigregister(MonteCarloMover)
1922 r"""Proxy of C++ IMP::core::XYZ class."""
1924 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1927 def get_coordinate_key(i):
1928 r"""get_coordinate_key(unsigned int i) -> FloatKey"""
1929 return _IMP_core.XYZ_get_coordinate_key(i)
1931 def __init__(self, *args):
1933 __init__(XYZ self) -> XYZ
1934 __init__(XYZ self, Model m, ParticleIndex id) -> XYZ
1935 __init__(XYZ self, _ParticleAdaptor d) -> XYZ
1937 _IMP_core.XYZ_swiginit(self, _IMP_core.new_XYZ(*args))
1939 def show(self, *args):
1940 r"""show(XYZ self, _ostream out=std::cout)"""
1941 return _IMP_core.XYZ_show(self, *args)
1944 def setup_particle(*args):
1946 setup_particle(Model m, ParticleIndex pi) -> XYZ
1947 setup_particle(_ParticleAdaptor pa) -> XYZ
1948 setup_particle(Model m, ParticleIndex pi, Vector3D v) -> XYZ
1949 setup_particle(_ParticleAdaptor pa, Vector3D v) -> XYZ
1951 return _IMP_core.XYZ_setup_particle(*args)
1954 r"""get_x(XYZ self) -> IMP::Float"""
1955 return _IMP_core.XYZ_get_x(self)
1958 r"""set_x(XYZ self, IMP::Float t)"""
1959 return _IMP_core.XYZ_set_x(self, t)
1962 r"""get_y(XYZ self) -> IMP::Float"""
1963 return _IMP_core.XYZ_get_y(self)
1966 r"""set_y(XYZ self, IMP::Float t)"""
1967 return _IMP_core.XYZ_set_y(self, t)
1970 r"""get_z(XYZ self) -> IMP::Float"""
1971 return _IMP_core.XYZ_get_z(self)
1974 r"""set_z(XYZ self, IMP::Float t)"""
1975 return _IMP_core.XYZ_set_z(self, t)
1977 def set_coordinate(self, i, v):
1978 r"""set_coordinate(XYZ self, unsigned int i, IMP::Float v)"""
1979 return _IMP_core.XYZ_set_coordinate(self, i, v)
1981 def set_coordinates(self, v):
1982 r"""set_coordinates(XYZ self, Vector3D v)"""
1983 return _IMP_core.XYZ_set_coordinates(self, v)
1985 def get_coordinate(self, i):
1986 r"""get_coordinate(XYZ self, int i) -> IMP::Float"""
1987 return _IMP_core.XYZ_get_coordinate(self, i)
1989 def add_to_derivatives(self, v, d):
1990 r"""add_to_derivatives(XYZ self, Vector3D v, DerivativeAccumulator d)"""
1991 return _IMP_core.XYZ_add_to_derivatives(self, v, d)
1993 def get_coordinates_are_optimized(self):
1994 r"""get_coordinates_are_optimized(XYZ self) -> bool"""
1995 return _IMP_core.XYZ_get_coordinates_are_optimized(self)
1997 def set_coordinates_are_optimized(self, tf):
1998 r"""set_coordinates_are_optimized(XYZ self, bool tf)"""
1999 return _IMP_core.XYZ_set_coordinates_are_optimized(self, tf)
2001 def get_vector_to(self, b):
2002 r"""get_vector_to(XYZ self, XYZ b) -> Vector3D"""
2003 return _IMP_core.XYZ_get_vector_to(self, b)
2005 def get_coordinates(self):
2006 r"""get_coordinates(XYZ self) -> Vector3D"""
2007 return _IMP_core.XYZ_get_coordinates(self)
2009 def get_derivatives(self):
2010 r"""get_derivatives(XYZ self) -> Vector3D"""
2011 return _IMP_core.XYZ_get_derivatives(self)
2014 def get_is_setup(*args):
2016 get_is_setup(_ParticleAdaptor p) -> bool
2017 get_is_setup(Model m, ParticleIndex pi) -> bool
2019 return _IMP_core.XYZ_get_is_setup(*args)
2023 r"""get_xyz_keys() -> IMP::FloatKeys const &"""
2024 return _IMP_core.XYZ_get_xyz_keys()
2026 def add_attribute(self, *args):
2028 add_attribute(XYZ self, FloatKey k, IMP::Float v, bool opt)
2029 add_attribute(XYZ self, FloatKey a0, IMP::Float a1)
2030 add_attribute(XYZ self, IntKey a0, IMP::Int a1)
2031 add_attribute(XYZ self, FloatsKey a0, IMP::Floats a1)
2032 add_attribute(XYZ self, IntsKey a0, IMP::Ints a1)
2033 add_attribute(XYZ self, StringKey a0, IMP::String a1)
2034 add_attribute(XYZ self, ParticleIndexKey a0, Particle a1)
2035 add_attribute(XYZ self, ObjectKey a0, Object a1)
2036 add_attribute(XYZ self, SparseFloatKey a0, IMP::Float a1)
2037 add_attribute(XYZ self, SparseIntKey a0, IMP::Int a1)
2038 add_attribute(XYZ self, SparseStringKey a0, IMP::String a1)
2039 add_attribute(XYZ self, SparseParticleIndexKey a0, ParticleIndex a1)
2041 return _IMP_core.XYZ_add_attribute(self, *args)
2043 def get_value(self, *args):
2045 get_value(XYZ self, FloatKey a0) -> IMP::Float
2046 get_value(XYZ self, IntKey a0) -> IMP::Int
2047 get_value(XYZ self, FloatsKey a0) -> IMP::Floats
2048 get_value(XYZ self, IntsKey a0) -> IMP::Ints
2049 get_value(XYZ self, StringKey a0) -> IMP::String
2050 get_value(XYZ self, ParticleIndexKey a0) -> Particle
2051 get_value(XYZ self, ObjectKey a0) -> Object
2052 get_value(XYZ self, SparseFloatKey a0) -> IMP::Float
2053 get_value(XYZ self, SparseIntKey a0) -> IMP::Int
2054 get_value(XYZ self, SparseStringKey a0) -> IMP::String
2055 get_value(XYZ self, SparseParticleIndexKey a0) -> ParticleIndex
2057 return _IMP_core.XYZ_get_value(self, *args)
2059 def set_value(self, *args):
2061 set_value(XYZ self, FloatKey a0, IMP::Float a1)
2062 set_value(XYZ self, IntKey a0, IMP::Int a1)
2063 set_value(XYZ self, FloatsKey a0, IMP::Floats a1)
2064 set_value(XYZ self, IntsKey a0, IMP::Ints a1)
2065 set_value(XYZ self, StringKey a0, IMP::String a1)
2066 set_value(XYZ self, ParticleIndexKey a0, Particle a1)
2067 set_value(XYZ self, ObjectKey a0, Object a1)
2068 set_value(XYZ self, SparseFloatKey a0, IMP::Float a1)
2069 set_value(XYZ self, SparseIntKey a0, IMP::Int a1)
2070 set_value(XYZ self, SparseStringKey a0, IMP::String a1)
2071 set_value(XYZ self, SparseParticleIndexKey a0, ParticleIndex a1)
2073 return _IMP_core.XYZ_set_value(self, *args)
2075 def remove_attribute(self, *args):
2077 remove_attribute(XYZ self, FloatKey a0)
2078 remove_attribute(XYZ self, IntKey a0)
2079 remove_attribute(XYZ self, FloatsKey a0)
2080 remove_attribute(XYZ self, IntsKey a0)
2081 remove_attribute(XYZ self, StringKey a0)
2082 remove_attribute(XYZ self, ParticleIndexKey a0)
2083 remove_attribute(XYZ self, ObjectKey a0)
2084 remove_attribute(XYZ self, SparseFloatKey a0)
2085 remove_attribute(XYZ self, SparseIntKey a0)
2086 remove_attribute(XYZ self, SparseStringKey a0)
2087 remove_attribute(XYZ self, SparseParticleIndexKey a0)
2089 return _IMP_core.XYZ_remove_attribute(self, *args)
2091 def has_attribute(self, *args):
2093 has_attribute(XYZ self, FloatKey a0) -> bool
2094 has_attribute(XYZ self, IntKey a0) -> bool
2095 has_attribute(XYZ self, FloatsKey a0) -> bool
2096 has_attribute(XYZ self, IntsKey a0) -> bool
2097 has_attribute(XYZ self, StringKey a0) -> bool
2098 has_attribute(XYZ self, ParticleIndexKey a0) -> bool
2099 has_attribute(XYZ self, ObjectKey a0) -> bool
2100 has_attribute(XYZ self, SparseFloatKey a0) -> bool
2101 has_attribute(XYZ self, SparseIntKey a0) -> bool
2102 has_attribute(XYZ self, SparseStringKey a0) -> bool
2103 has_attribute(XYZ self, SparseParticleIndexKey a0) -> bool
2105 return _IMP_core.XYZ_has_attribute(self, *args)
2107 def get_derivative(self, *args):
2109 get_derivative(XYZ self, int i) -> IMP::Float
2110 get_derivative(XYZ self, FloatKey a0) -> double
2112 return _IMP_core.XYZ_get_derivative(self, *args)
2115 r"""get_name(XYZ self) -> std::string"""
2116 return _IMP_core.XYZ_get_name(self)
2118 def clear_caches(self):
2119 r"""clear_caches(XYZ self)"""
2120 return _IMP_core.XYZ_clear_caches(self)
2122 def set_name(self, a0):
2123 r"""set_name(XYZ self, std::string a0)"""
2124 return _IMP_core.XYZ_set_name(self, a0)
2127 r"""set_check_level(XYZ self, IMP::CheckLevel a0)"""
2128 return _IMP_core.XYZ_set_check_level(self, a0)
2130 def add_to_derivative(self, *args):
2132 add_to_derivative(XYZ self, int i, IMP::Float v, DerivativeAccumulator d)
2133 add_to_derivative(XYZ self, FloatKey a0, double a1, DerivativeAccumulator a2)
2135 return _IMP_core.XYZ_add_to_derivative(self, *args)
2137 def set_is_optimized(self, a0, a1):
2138 r"""set_is_optimized(XYZ self, FloatKey a0, bool a1)"""
2139 return _IMP_core.XYZ_set_is_optimized(self, a0, a1)
2141 def get_is_optimized(self, a0):
2142 r"""get_is_optimized(XYZ self, FloatKey a0) -> bool"""
2143 return _IMP_core.XYZ_get_is_optimized(self, a0)
2146 r"""get_check_level(XYZ self) -> IMP::CheckLevel"""
2147 return _IMP_core.XYZ_get_check_level(self)
2149 def __eq__(self, *args):
2151 __eq__(XYZ self, XYZ o) -> bool
2152 __eq__(XYZ self, Particle d) -> bool
2154 return _IMP_core.XYZ___eq__(self, *args)
2156 def __ne__(self, *args):
2158 __ne__(XYZ self, XYZ o) -> bool
2159 __ne__(XYZ self, Particle d) -> bool
2161 return _IMP_core.XYZ___ne__(self, *args)
2163 def __le__(self, *args):
2165 __le__(XYZ self, XYZ o) -> bool
2166 __le__(XYZ self, Particle d) -> bool
2168 return _IMP_core.XYZ___le__(self, *args)
2170 def __lt__(self, *args):
2172 __lt__(XYZ self, XYZ o) -> bool
2173 __lt__(XYZ self, Particle d) -> bool
2175 return _IMP_core.XYZ___lt__(self, *args)
2177 def __ge__(self, *args):
2179 __ge__(XYZ self, XYZ o) -> bool
2180 __ge__(XYZ self, Particle d) -> bool
2182 return _IMP_core.XYZ___ge__(self, *args)
2184 def __gt__(self, *args):
2186 __gt__(XYZ self, XYZ o) -> bool
2187 __gt__(XYZ self, Particle d) -> bool
2189 return _IMP_core.XYZ___gt__(self, *args)
2192 r"""__hash__(XYZ self) -> std::size_t"""
2193 return _IMP_core.XYZ___hash__(self)
2196 r"""__str__(XYZ self) -> std::string"""
2197 return _IMP_core.XYZ___str__(self)
2200 r"""__repr__(XYZ self) -> std::string"""
2201 return _IMP_core.XYZ___repr__(self)
2203 def _get_as_binary(self):
2204 r"""_get_as_binary(XYZ self) -> PyObject *"""
2205 return _IMP_core.XYZ__get_as_binary(self)
2207 def _set_from_binary(self, p):
2208 r"""_set_from_binary(XYZ self, PyObject * p)"""
2209 return _IMP_core.XYZ__set_from_binary(self, p)
2211 def __getstate__(self):
2212 p = self._get_as_binary()
2213 if len(self.__dict__) > 1:
2214 d = self.__dict__.copy()
2219 def __setstate__(self, p):
2220 if not hasattr(self,
'this'):
2222 if isinstance(p, tuple):
2224 self.__dict__.update(d)
2225 return self._set_from_binary(p)
2227 __swig_destroy__ = _IMP_core.delete_XYZ
2230 _IMP_core.XYZ_swigregister(XYZ)
2233 r"""set_vector_geometry(XYZ d, Vector3D v)"""
2234 return _IMP_core.set_vector_geometry(d, v)
2237 r"""get_vector_geometry(XYZ d) -> Vector3D"""
2238 return _IMP_core.get_vector_geometry(d)
2241 r"""get_dihedral(XYZ a, XYZ b, XYZ c, XYZ d) -> double"""
2242 return _IMP_core.get_dihedral(a, b, c, d)
2244 r"""Proxy of C++ IMP::core::XYZR class."""
2246 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2248 def __init__(self, *args):
2250 __init__(XYZR self) -> XYZR
2251 __init__(XYZR self, Model m, ParticleIndex id) -> XYZR
2252 __init__(XYZR self, _ParticleAdaptor d) -> XYZR
2254 _IMP_core.XYZR_swiginit(self, _IMP_core.new_XYZR(*args))
2256 def show(self, *args):
2257 r"""show(XYZR self, _ostream out=std::cout)"""
2258 return _IMP_core.XYZR_show(self, *args)
2261 def setup_particle(*args):
2263 setup_particle(Model m, ParticleIndex pi) -> XYZR
2264 setup_particle(_ParticleAdaptor pa) -> XYZR
2265 setup_particle(Model m, ParticleIndex pi, IMP::Float radius) -> XYZR
2266 setup_particle(_ParticleAdaptor pa, IMP::Float radius) -> XYZR
2267 setup_particle(Model m, ParticleIndex pi, Sphere3D ball) -> XYZR
2268 setup_particle(_ParticleAdaptor pa, Sphere3D ball) -> XYZR
2270 return _IMP_core.XYZR_setup_particle(*args)
2273 def get_is_setup(*args):
2275 get_is_setup(_ParticleAdaptor p) -> bool
2276 get_is_setup(Model m, ParticleIndex pi) -> bool
2278 return _IMP_core.XYZR_get_is_setup(*args)
2280 def get_radius(self):
2281 r"""get_radius(XYZR self) -> double"""
2282 return _IMP_core.XYZR_get_radius(self)
2284 def set_radius(self, r):
2285 r"""set_radius(XYZR self, double r)"""
2286 return _IMP_core.XYZR_set_radius(self, r)
2288 def get_sphere(self):
2289 r"""get_sphere(XYZR self) -> Sphere3D"""
2290 return _IMP_core.XYZR_get_sphere(self)
2292 def set_sphere(self, s):
2293 r"""set_sphere(XYZR self, Sphere3D s)"""
2294 return _IMP_core.XYZR_set_sphere(self, s)
2297 def get_radius_key():
2298 r"""get_radius_key() -> FloatKey"""
2299 return _IMP_core.XYZR_get_radius_key()
2301 def add_to_radius_derivative(self, v, d):
2302 r"""add_to_radius_derivative(XYZR self, double v, DerivativeAccumulator d)"""
2303 return _IMP_core.XYZR_add_to_radius_derivative(self, v, d)
2305 def add_attribute(self, *args):
2307 add_attribute(XYZR self, FloatKey k, IMP::Float v, bool opt)
2308 add_attribute(XYZR self, FloatKey a0, IMP::Float a1)
2309 add_attribute(XYZR self, IntKey a0, IMP::Int a1)
2310 add_attribute(XYZR self, FloatsKey a0, IMP::Floats a1)
2311 add_attribute(XYZR self, IntsKey a0, IMP::Ints a1)
2312 add_attribute(XYZR self, StringKey a0, IMP::String a1)
2313 add_attribute(XYZR self, ParticleIndexKey a0, Particle a1)
2314 add_attribute(XYZR self, ObjectKey a0, Object a1)
2315 add_attribute(XYZR self, SparseFloatKey a0, IMP::Float a1)
2316 add_attribute(XYZR self, SparseIntKey a0, IMP::Int a1)
2317 add_attribute(XYZR self, SparseStringKey a0, IMP::String a1)
2318 add_attribute(XYZR self, SparseParticleIndexKey a0, ParticleIndex a1)
2320 return _IMP_core.XYZR_add_attribute(self, *args)
2322 def get_value(self, *args):
2324 get_value(XYZR self, FloatKey a0) -> IMP::Float
2325 get_value(XYZR self, IntKey a0) -> IMP::Int
2326 get_value(XYZR self, FloatsKey a0) -> IMP::Floats
2327 get_value(XYZR self, IntsKey a0) -> IMP::Ints
2328 get_value(XYZR self, StringKey a0) -> IMP::String
2329 get_value(XYZR self, ParticleIndexKey a0) -> Particle
2330 get_value(XYZR self, ObjectKey a0) -> Object
2331 get_value(XYZR self, SparseFloatKey a0) -> IMP::Float
2332 get_value(XYZR self, SparseIntKey a0) -> IMP::Int
2333 get_value(XYZR self, SparseStringKey a0) -> IMP::String
2334 get_value(XYZR self, SparseParticleIndexKey a0) -> ParticleIndex
2336 return _IMP_core.XYZR_get_value(self, *args)
2338 def set_value(self, *args):
2340 set_value(XYZR self, FloatKey a0, IMP::Float a1)
2341 set_value(XYZR self, IntKey a0, IMP::Int a1)
2342 set_value(XYZR self, FloatsKey a0, IMP::Floats a1)
2343 set_value(XYZR self, IntsKey a0, IMP::Ints a1)
2344 set_value(XYZR self, StringKey a0, IMP::String a1)
2345 set_value(XYZR self, ParticleIndexKey a0, Particle a1)
2346 set_value(XYZR self, ObjectKey a0, Object a1)
2347 set_value(XYZR self, SparseFloatKey a0, IMP::Float a1)
2348 set_value(XYZR self, SparseIntKey a0, IMP::Int a1)
2349 set_value(XYZR self, SparseStringKey a0, IMP::String a1)
2350 set_value(XYZR self, SparseParticleIndexKey a0, ParticleIndex a1)
2352 return _IMP_core.XYZR_set_value(self, *args)
2354 def remove_attribute(self, *args):
2356 remove_attribute(XYZR self, FloatKey a0)
2357 remove_attribute(XYZR self, IntKey a0)
2358 remove_attribute(XYZR self, FloatsKey a0)
2359 remove_attribute(XYZR self, IntsKey a0)
2360 remove_attribute(XYZR self, StringKey a0)
2361 remove_attribute(XYZR self, ParticleIndexKey a0)
2362 remove_attribute(XYZR self, ObjectKey a0)
2363 remove_attribute(XYZR self, SparseFloatKey a0)
2364 remove_attribute(XYZR self, SparseIntKey a0)
2365 remove_attribute(XYZR self, SparseStringKey a0)
2366 remove_attribute(XYZR self, SparseParticleIndexKey a0)
2368 return _IMP_core.XYZR_remove_attribute(self, *args)
2370 def has_attribute(self, *args):
2372 has_attribute(XYZR self, FloatKey a0) -> bool
2373 has_attribute(XYZR self, IntKey a0) -> bool
2374 has_attribute(XYZR self, FloatsKey a0) -> bool
2375 has_attribute(XYZR self, IntsKey a0) -> bool
2376 has_attribute(XYZR self, StringKey a0) -> bool
2377 has_attribute(XYZR self, ParticleIndexKey a0) -> bool
2378 has_attribute(XYZR self, ObjectKey a0) -> bool
2379 has_attribute(XYZR self, SparseFloatKey a0) -> bool
2380 has_attribute(XYZR self, SparseIntKey a0) -> bool
2381 has_attribute(XYZR self, SparseStringKey a0) -> bool
2382 has_attribute(XYZR self, SparseParticleIndexKey a0) -> bool
2384 return _IMP_core.XYZR_has_attribute(self, *args)
2386 def get_derivative(self, a0):
2387 r"""get_derivative(XYZR self, FloatKey a0) -> double"""
2388 return _IMP_core.XYZR_get_derivative(self, a0)
2391 r"""get_name(XYZR self) -> std::string"""
2392 return _IMP_core.XYZR_get_name(self)
2394 def clear_caches(self):
2395 r"""clear_caches(XYZR self)"""
2396 return _IMP_core.XYZR_clear_caches(self)
2398 def set_name(self, a0):
2399 r"""set_name(XYZR self, std::string a0)"""
2400 return _IMP_core.XYZR_set_name(self, a0)
2403 r"""set_check_level(XYZR self, IMP::CheckLevel a0)"""
2404 return _IMP_core.XYZR_set_check_level(self, a0)
2406 def add_to_derivative(self, a0, a1, a2):
2407 r"""add_to_derivative(XYZR self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2408 return _IMP_core.XYZR_add_to_derivative(self, a0, a1, a2)
2410 def set_is_optimized(self, a0, a1):
2411 r"""set_is_optimized(XYZR self, FloatKey a0, bool a1)"""
2412 return _IMP_core.XYZR_set_is_optimized(self, a0, a1)
2414 def get_is_optimized(self, a0):
2415 r"""get_is_optimized(XYZR self, FloatKey a0) -> bool"""
2416 return _IMP_core.XYZR_get_is_optimized(self, a0)
2419 r"""get_check_level(XYZR self) -> IMP::CheckLevel"""
2420 return _IMP_core.XYZR_get_check_level(self)
2422 def __eq__(self, *args):
2424 __eq__(XYZR self, XYZR o) -> bool
2425 __eq__(XYZR self, Particle d) -> bool
2427 return _IMP_core.XYZR___eq__(self, *args)
2429 def __ne__(self, *args):
2431 __ne__(XYZR self, XYZR o) -> bool
2432 __ne__(XYZR self, Particle d) -> bool
2434 return _IMP_core.XYZR___ne__(self, *args)
2436 def __le__(self, *args):
2438 __le__(XYZR self, XYZR o) -> bool
2439 __le__(XYZR self, Particle d) -> bool
2441 return _IMP_core.XYZR___le__(self, *args)
2443 def __lt__(self, *args):
2445 __lt__(XYZR self, XYZR o) -> bool
2446 __lt__(XYZR self, Particle d) -> bool
2448 return _IMP_core.XYZR___lt__(self, *args)
2450 def __ge__(self, *args):
2452 __ge__(XYZR self, XYZR o) -> bool
2453 __ge__(XYZR self, Particle d) -> bool
2455 return _IMP_core.XYZR___ge__(self, *args)
2457 def __gt__(self, *args):
2459 __gt__(XYZR self, XYZR o) -> bool
2460 __gt__(XYZR self, Particle d) -> bool
2462 return _IMP_core.XYZR___gt__(self, *args)
2465 r"""__hash__(XYZR self) -> std::size_t"""
2466 return _IMP_core.XYZR___hash__(self)
2469 r"""__str__(XYZR self) -> std::string"""
2470 return _IMP_core.XYZR___str__(self)
2473 r"""__repr__(XYZR self) -> std::string"""
2474 return _IMP_core.XYZR___repr__(self)
2476 def _get_as_binary(self):
2477 r"""_get_as_binary(XYZR self) -> PyObject *"""
2478 return _IMP_core.XYZR__get_as_binary(self)
2480 def _set_from_binary(self, p):
2481 r"""_set_from_binary(XYZR self, PyObject * p)"""
2482 return _IMP_core.XYZR__set_from_binary(self, p)
2484 def __getstate__(self):
2485 p = self._get_as_binary()
2486 if len(self.__dict__) > 1:
2487 d = self.__dict__.copy()
2492 def __setstate__(self, p):
2493 if not hasattr(self,
'this'):
2495 if isinstance(p, tuple):
2497 self.__dict__.update(d)
2498 return self._set_from_binary(p)
2500 __swig_destroy__ = _IMP_core.delete_XYZR
2503 _IMP_core.XYZR_swigregister(XYZR)
2506 r"""set_enclosing_sphere(XYZR b, IMP::core::XYZs const & v, double slack=0)"""
2507 return _IMP_core.set_enclosing_sphere(b, v, slack)
2510 r"""set_enclosing_radius(XYZR b, IMP::core::XYZs const & v)"""
2511 return _IMP_core.set_enclosing_radius(b, v)
2514 r"""get_enclosing_sphere(IMP::core::XYZs const & v) -> Sphere3D"""
2515 return _IMP_core.get_enclosing_sphere(v)
2518 r"""create_xyzr_particles(Model m, unsigned int num, IMP::Float radius, IMP::Float box_side=10) -> IMP::core::XYZRs"""
2519 return _IMP_core.create_xyzr_particles(m, num, radius, box_side)
2521 r"""Proxy of C++ IMP::core::XYZRGeometry class."""
2523 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2525 def __init__(self, *args):
2527 __init__(XYZRGeometry self, Particle p) -> XYZRGeometry
2528 __init__(XYZRGeometry self, XYZR d) -> XYZRGeometry
2530 _IMP_core.XYZRGeometry_swiginit(self, _IMP_core.new_XYZRGeometry(*args))
2532 def get_version_info(self):
2533 r"""get_version_info(XYZRGeometry self) -> VersionInfo"""
2534 return _IMP_core.XYZRGeometry_get_version_info(self)
2535 __swig_destroy__ = _IMP_core.delete_XYZRGeometry
2538 r"""__str__(XYZRGeometry self) -> std::string"""
2539 return _IMP_core.XYZRGeometry___str__(self)
2542 r"""__repr__(XYZRGeometry self) -> std::string"""
2543 return _IMP_core.XYZRGeometry___repr__(self)
2547 return _object_cast_to_XYZRGeometry(o)
2551 _IMP_core.XYZRGeometry_swigregister(XYZRGeometry)
2553 r"""Proxy of C++ IMP::core::XYZRsGeometry class."""
2555 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2557 def __init__(self, sc):
2558 r"""__init__(XYZRsGeometry self, SingletonContainer sc) -> XYZRsGeometry"""
2559 _IMP_core.XYZRsGeometry_swiginit(self, _IMP_core.new_XYZRsGeometry(sc))
2561 def get_version_info(self):
2562 r"""get_version_info(XYZRsGeometry self) -> VersionInfo"""
2563 return _IMP_core.XYZRsGeometry_get_version_info(self)
2564 __swig_destroy__ = _IMP_core.delete_XYZRsGeometry
2567 r"""__str__(XYZRsGeometry self) -> std::string"""
2568 return _IMP_core.XYZRsGeometry___str__(self)
2571 r"""__repr__(XYZRsGeometry self) -> std::string"""
2572 return _IMP_core.XYZRsGeometry___repr__(self)
2576 return _object_cast_to_XYZRsGeometry(o)
2580 _IMP_core.XYZRsGeometry_swigregister(XYZRsGeometry)
2582 r"""Proxy of C++ IMP::core::XYZDerivativeGeometry class."""
2584 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2586 def __init__(self, *args):
2588 __init__(XYZDerivativeGeometry self, Particle p) -> XYZDerivativeGeometry
2589 __init__(XYZDerivativeGeometry self, XYZ d) -> XYZDerivativeGeometry
2591 _IMP_core.XYZDerivativeGeometry_swiginit(self, _IMP_core.new_XYZDerivativeGeometry(*args))
2593 def get_version_info(self):
2594 r"""get_version_info(XYZDerivativeGeometry self) -> VersionInfo"""
2595 return _IMP_core.XYZDerivativeGeometry_get_version_info(self)
2596 __swig_destroy__ = _IMP_core.delete_XYZDerivativeGeometry
2599 r"""__str__(XYZDerivativeGeometry self) -> std::string"""
2600 return _IMP_core.XYZDerivativeGeometry___str__(self)
2603 r"""__repr__(XYZDerivativeGeometry self) -> std::string"""
2604 return _IMP_core.XYZDerivativeGeometry___repr__(self)
2608 return _object_cast_to_XYZDerivativeGeometry(o)
2612 _IMP_core.XYZDerivativeGeometry_swigregister(XYZDerivativeGeometry)
2614 r"""Proxy of C++ IMP::core::XYZDerivativesGeometry class."""
2616 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2618 def __init__(self, sc):
2619 r"""__init__(XYZDerivativesGeometry self, SingletonContainer sc) -> XYZDerivativesGeometry"""
2620 _IMP_core.XYZDerivativesGeometry_swiginit(self, _IMP_core.new_XYZDerivativesGeometry(sc))
2622 def get_version_info(self):
2623 r"""get_version_info(XYZDerivativesGeometry self) -> VersionInfo"""
2624 return _IMP_core.XYZDerivativesGeometry_get_version_info(self)
2625 __swig_destroy__ = _IMP_core.delete_XYZDerivativesGeometry
2628 r"""__str__(XYZDerivativesGeometry self) -> std::string"""
2629 return _IMP_core.XYZDerivativesGeometry___str__(self)
2632 r"""__repr__(XYZDerivativesGeometry self) -> std::string"""
2633 return _IMP_core.XYZDerivativesGeometry___repr__(self)
2637 return _object_cast_to_XYZDerivativesGeometry(o)
2641 _IMP_core.XYZDerivativesGeometry_swigregister(XYZDerivativesGeometry)
2643 r"""Proxy of C++ IMP::core::EdgePairGeometry class."""
2645 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2647 def __init__(self, pp):
2648 r"""__init__(EdgePairGeometry self, IMP::ParticlePair const & pp) -> EdgePairGeometry"""
2649 _IMP_core.EdgePairGeometry_swiginit(self, _IMP_core.new_EdgePairGeometry(pp))
2651 def get_version_info(self):
2652 r"""get_version_info(EdgePairGeometry self) -> VersionInfo"""
2653 return _IMP_core.EdgePairGeometry_get_version_info(self)
2654 __swig_destroy__ = _IMP_core.delete_EdgePairGeometry
2657 r"""__str__(EdgePairGeometry self) -> std::string"""
2658 return _IMP_core.EdgePairGeometry___str__(self)
2661 r"""__repr__(EdgePairGeometry self) -> std::string"""
2662 return _IMP_core.EdgePairGeometry___repr__(self)
2666 return _object_cast_to_EdgePairGeometry(o)
2670 _IMP_core.EdgePairGeometry_swigregister(EdgePairGeometry)
2672 r"""Proxy of C++ IMP::core::EdgePairsGeometry class."""
2674 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2676 def __init__(self, sc):
2677 r"""__init__(EdgePairsGeometry self, PairContainer sc) -> EdgePairsGeometry"""
2678 _IMP_core.EdgePairsGeometry_swiginit(self, _IMP_core.new_EdgePairsGeometry(sc))
2680 def get_version_info(self):
2681 r"""get_version_info(EdgePairsGeometry self) -> VersionInfo"""
2682 return _IMP_core.EdgePairsGeometry_get_version_info(self)
2683 __swig_destroy__ = _IMP_core.delete_EdgePairsGeometry
2686 r"""__str__(EdgePairsGeometry self) -> std::string"""
2687 return _IMP_core.EdgePairsGeometry___str__(self)
2690 r"""__repr__(EdgePairsGeometry self) -> std::string"""
2691 return _IMP_core.EdgePairsGeometry___repr__(self)
2695 return _object_cast_to_EdgePairsGeometry(o)
2699 _IMP_core.EdgePairsGeometry_swigregister(EdgePairsGeometry)
2701 r"""Proxy of C++ IMP::core::Direction class."""
2703 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2706 def do_setup_particle(m, pi, v):
2707 r"""do_setup_particle(Model m, ParticleIndex pi, Vector3D v)"""
2708 return _IMP_core.Direction_do_setup_particle(m, pi, v)
2710 def __init__(self, *args):
2712 __init__(Direction self) -> Direction
2713 __init__(Direction self, Model m, ParticleIndex id) -> Direction
2714 __init__(Direction self, _ParticleAdaptor d) -> Direction
2716 _IMP_core.Direction_swiginit(self, _IMP_core.new_Direction(*args))
2718 def show(self, *args):
2719 r"""show(Direction self, _ostream out=std::cout)"""
2720 return _IMP_core.Direction_show(self, *args)
2723 def setup_particle(*args):
2725 setup_particle(Model m, ParticleIndex pi, Vector3D v) -> Direction
2726 setup_particle(_ParticleAdaptor pa, Vector3D v) -> Direction
2728 return _IMP_core.Direction_setup_particle(*args)
2731 def get_is_setup(*args):
2733 get_is_setup(_ParticleAdaptor p) -> bool
2734 get_is_setup(Model m, ParticleIndex pi) -> bool
2736 return _IMP_core.Direction_get_is_setup(*args)
2739 def get_direction_key(i):
2740 r"""get_direction_key(unsigned int i) -> FloatKey"""
2741 return _IMP_core.Direction_get_direction_key(i)
2743 def get_direction_derivative(self, i):
2744 r"""get_direction_derivative(Direction self, int i) -> IMP::Float"""
2745 return _IMP_core.Direction_get_direction_derivative(self, i)
2747 def get_direction_derivatives(self):
2748 r"""get_direction_derivatives(Direction self) -> Vector3D"""
2749 return _IMP_core.Direction_get_direction_derivatives(self)
2751 def add_to_direction_derivative(self, i, v, d):
2752 r"""add_to_direction_derivative(Direction self, int i, IMP::Float v, DerivativeAccumulator d)"""
2753 return _IMP_core.Direction_add_to_direction_derivative(self, i, v, d)
2755 def add_to_direction_derivatives(self, v, d):
2756 r"""add_to_direction_derivatives(Direction self, Vector3D v, DerivativeAccumulator d)"""
2757 return _IMP_core.Direction_add_to_direction_derivatives(self, v, d)
2759 def get_direction_is_optimized(self):
2760 r"""get_direction_is_optimized(Direction self) -> bool"""
2761 return _IMP_core.Direction_get_direction_is_optimized(self)
2763 def set_direction_is_optimized(self, tf):
2764 r"""set_direction_is_optimized(Direction self, bool tf)"""
2765 return _IMP_core.Direction_set_direction_is_optimized(self, tf)
2767 def get_direction(self):
2768 r"""get_direction(Direction self) -> Vector3D"""
2769 return _IMP_core.Direction_get_direction(self)
2771 def set_direction(self, v):
2772 r"""set_direction(Direction self, Vector3D v)"""
2773 return _IMP_core.Direction_set_direction(self, v)
2776 r"""reflect(Direction self)"""
2777 return _IMP_core.Direction_reflect(self)
2779 def add_attribute(self, *args):
2781 add_attribute(Direction self, FloatKey k, IMP::Float v, bool opt)
2782 add_attribute(Direction self, FloatKey a0, IMP::Float a1)
2783 add_attribute(Direction self, IntKey a0, IMP::Int a1)
2784 add_attribute(Direction self, FloatsKey a0, IMP::Floats a1)
2785 add_attribute(Direction self, IntsKey a0, IMP::Ints a1)
2786 add_attribute(Direction self, StringKey a0, IMP::String a1)
2787 add_attribute(Direction self, ParticleIndexKey a0, Particle a1)
2788 add_attribute(Direction self, ObjectKey a0, Object a1)
2789 add_attribute(Direction self, SparseFloatKey a0, IMP::Float a1)
2790 add_attribute(Direction self, SparseIntKey a0, IMP::Int a1)
2791 add_attribute(Direction self, SparseStringKey a0, IMP::String a1)
2792 add_attribute(Direction self, SparseParticleIndexKey a0, ParticleIndex a1)
2794 return _IMP_core.Direction_add_attribute(self, *args)
2796 def get_value(self, *args):
2798 get_value(Direction self, FloatKey a0) -> IMP::Float
2799 get_value(Direction self, IntKey a0) -> IMP::Int
2800 get_value(Direction self, FloatsKey a0) -> IMP::Floats
2801 get_value(Direction self, IntsKey a0) -> IMP::Ints
2802 get_value(Direction self, StringKey a0) -> IMP::String
2803 get_value(Direction self, ParticleIndexKey a0) -> Particle
2804 get_value(Direction self, ObjectKey a0) -> Object
2805 get_value(Direction self, SparseFloatKey a0) -> IMP::Float
2806 get_value(Direction self, SparseIntKey a0) -> IMP::Int
2807 get_value(Direction self, SparseStringKey a0) -> IMP::String
2808 get_value(Direction self, SparseParticleIndexKey a0) -> ParticleIndex
2810 return _IMP_core.Direction_get_value(self, *args)
2812 def set_value(self, *args):
2814 set_value(Direction self, FloatKey a0, IMP::Float a1)
2815 set_value(Direction self, IntKey a0, IMP::Int a1)
2816 set_value(Direction self, FloatsKey a0, IMP::Floats a1)
2817 set_value(Direction self, IntsKey a0, IMP::Ints a1)
2818 set_value(Direction self, StringKey a0, IMP::String a1)
2819 set_value(Direction self, ParticleIndexKey a0, Particle a1)
2820 set_value(Direction self, ObjectKey a0, Object a1)
2821 set_value(Direction self, SparseFloatKey a0, IMP::Float a1)
2822 set_value(Direction self, SparseIntKey a0, IMP::Int a1)
2823 set_value(Direction self, SparseStringKey a0, IMP::String a1)
2824 set_value(Direction self, SparseParticleIndexKey a0, ParticleIndex a1)
2826 return _IMP_core.Direction_set_value(self, *args)
2828 def remove_attribute(self, *args):
2830 remove_attribute(Direction self, FloatKey a0)
2831 remove_attribute(Direction self, IntKey a0)
2832 remove_attribute(Direction self, FloatsKey a0)
2833 remove_attribute(Direction self, IntsKey a0)
2834 remove_attribute(Direction self, StringKey a0)
2835 remove_attribute(Direction self, ParticleIndexKey a0)
2836 remove_attribute(Direction self, ObjectKey a0)
2837 remove_attribute(Direction self, SparseFloatKey a0)
2838 remove_attribute(Direction self, SparseIntKey a0)
2839 remove_attribute(Direction self, SparseStringKey a0)
2840 remove_attribute(Direction self, SparseParticleIndexKey a0)
2842 return _IMP_core.Direction_remove_attribute(self, *args)
2844 def has_attribute(self, *args):
2846 has_attribute(Direction self, FloatKey a0) -> bool
2847 has_attribute(Direction self, IntKey a0) -> bool
2848 has_attribute(Direction self, FloatsKey a0) -> bool
2849 has_attribute(Direction self, IntsKey a0) -> bool
2850 has_attribute(Direction self, StringKey a0) -> bool
2851 has_attribute(Direction self, ParticleIndexKey a0) -> bool
2852 has_attribute(Direction self, ObjectKey a0) -> bool
2853 has_attribute(Direction self, SparseFloatKey a0) -> bool
2854 has_attribute(Direction self, SparseIntKey a0) -> bool
2855 has_attribute(Direction self, SparseStringKey a0) -> bool
2856 has_attribute(Direction self, SparseParticleIndexKey a0) -> bool
2858 return _IMP_core.Direction_has_attribute(self, *args)
2860 def get_derivative(self, a0):
2861 r"""get_derivative(Direction self, FloatKey a0) -> double"""
2862 return _IMP_core.Direction_get_derivative(self, a0)
2865 r"""get_name(Direction self) -> std::string"""
2866 return _IMP_core.Direction_get_name(self)
2868 def clear_caches(self):
2869 r"""clear_caches(Direction self)"""
2870 return _IMP_core.Direction_clear_caches(self)
2872 def set_name(self, a0):
2873 r"""set_name(Direction self, std::string a0)"""
2874 return _IMP_core.Direction_set_name(self, a0)
2877 r"""set_check_level(Direction self, IMP::CheckLevel a0)"""
2878 return _IMP_core.Direction_set_check_level(self, a0)
2880 def add_to_derivative(self, a0, a1, a2):
2881 r"""add_to_derivative(Direction self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2882 return _IMP_core.Direction_add_to_derivative(self, a0, a1, a2)
2884 def set_is_optimized(self, a0, a1):
2885 r"""set_is_optimized(Direction self, FloatKey a0, bool a1)"""
2886 return _IMP_core.Direction_set_is_optimized(self, a0, a1)
2888 def get_is_optimized(self, a0):
2889 r"""get_is_optimized(Direction self, FloatKey a0) -> bool"""
2890 return _IMP_core.Direction_get_is_optimized(self, a0)
2893 r"""get_check_level(Direction self) -> IMP::CheckLevel"""
2894 return _IMP_core.Direction_get_check_level(self)
2896 def __eq__(self, *args):
2898 __eq__(Direction self, Direction o) -> bool
2899 __eq__(Direction self, Particle d) -> bool
2901 return _IMP_core.Direction___eq__(self, *args)
2903 def __ne__(self, *args):
2905 __ne__(Direction self, Direction o) -> bool
2906 __ne__(Direction self, Particle d) -> bool
2908 return _IMP_core.Direction___ne__(self, *args)
2910 def __le__(self, *args):
2912 __le__(Direction self, Direction o) -> bool
2913 __le__(Direction self, Particle d) -> bool
2915 return _IMP_core.Direction___le__(self, *args)
2917 def __lt__(self, *args):
2919 __lt__(Direction self, Direction o) -> bool
2920 __lt__(Direction self, Particle d) -> bool
2922 return _IMP_core.Direction___lt__(self, *args)
2924 def __ge__(self, *args):
2926 __ge__(Direction self, Direction o) -> bool
2927 __ge__(Direction self, Particle d) -> bool
2929 return _IMP_core.Direction___ge__(self, *args)
2931 def __gt__(self, *args):
2933 __gt__(Direction self, Direction o) -> bool
2934 __gt__(Direction self, Particle d) -> bool
2936 return _IMP_core.Direction___gt__(self, *args)
2939 r"""__hash__(Direction self) -> std::size_t"""
2940 return _IMP_core.Direction___hash__(self)
2943 r"""__str__(Direction self) -> std::string"""
2944 return _IMP_core.Direction___str__(self)
2947 r"""__repr__(Direction self) -> std::string"""
2948 return _IMP_core.Direction___repr__(self)
2950 def _get_as_binary(self):
2951 r"""_get_as_binary(Direction self) -> PyObject *"""
2952 return _IMP_core.Direction__get_as_binary(self)
2954 def _set_from_binary(self, p):
2955 r"""_set_from_binary(Direction self, PyObject * p)"""
2956 return _IMP_core.Direction__set_from_binary(self, p)
2958 def __getstate__(self):
2959 p = self._get_as_binary()
2960 if len(self.__dict__) > 1:
2961 d = self.__dict__.copy()
2966 def __setstate__(self, p):
2967 if not hasattr(self,
'this'):
2969 if isinstance(p, tuple):
2971 self.__dict__.update(d)
2972 return self._set_from_binary(p)
2974 __swig_destroy__ = _IMP_core.delete_Direction
2977 _IMP_core.Direction_swigregister(Direction)
2980 r"""get_angle(Direction a, Direction b) -> double"""
2981 return _IMP_core.get_angle(a, b)
2983 r"""Proxy of C++ IMP::core::DirectionAngle class."""
2985 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2987 def __init__(self, *args):
2989 __init__(DirectionAngle self) -> DirectionAngle
2990 __init__(DirectionAngle self, Model m, ParticleIndex id) -> DirectionAngle
2991 __init__(DirectionAngle self, _ParticleAdaptor d) -> DirectionAngle
2993 _IMP_core.DirectionAngle_swiginit(self, _IMP_core.new_DirectionAngle(*args))
2995 def show(self, *args):
2996 r"""show(DirectionAngle self, _ostream out=std::cout)"""
2997 return _IMP_core.DirectionAngle_show(self, *args)
3000 def setup_particle(*args):
3002 setup_particle(Model m, ParticleIndex pi, IMP::ParticleIndexPair ds) -> DirectionAngle
3003 setup_particle(_ParticleAdaptor pa, IMP::ParticleIndexPair ds) -> DirectionAngle
3004 setup_particle(Model m, ParticleIndex pi, _ParticleIndexAdaptor d0, _ParticleIndexAdaptor d1) -> DirectionAngle
3005 setup_particle(_ParticleAdaptor pa, _ParticleIndexAdaptor d0, _ParticleIndexAdaptor d1) -> DirectionAngle
3007 return _IMP_core.DirectionAngle_setup_particle(*args)
3010 def get_is_setup(*args):
3012 get_is_setup(_ParticleAdaptor p) -> bool
3013 get_is_setup(Model m, ParticleIndex pi) -> bool
3015 return _IMP_core.DirectionAngle_get_is_setup(*args)
3018 def get_angle_key():
3019 r"""get_angle_key() -> FloatKey"""
3020 return _IMP_core.DirectionAngle_get_angle_key()
3023 def get_particle_key(i):
3024 r"""get_particle_key(unsigned int i) -> ParticleIndexKey"""
3025 return _IMP_core.DirectionAngle_get_particle_key(i)
3027 def get_particle(self, *args):
3029 get_particle(DirectionAngle self, unsigned int i) -> Particle
3030 get_particle(DirectionAngle self) -> Particle
3032 return _IMP_core.DirectionAngle_get_particle(self, *args)
3034 def get_particle_index(self, *args):
3036 get_particle_index(DirectionAngle self, unsigned int i) -> ParticleIndex
3037 get_particle_index(DirectionAngle self) -> ParticleIndex
3039 return _IMP_core.DirectionAngle_get_particle_index(self, *args)
3042 r"""get_angle(DirectionAngle self) -> IMP::Float"""
3043 return _IMP_core.DirectionAngle_get_angle(self)
3045 def get_angle_derivative(self):
3046 r"""get_angle_derivative(DirectionAngle self) -> IMP::Float"""
3047 return _IMP_core.DirectionAngle_get_angle_derivative(self)
3049 def add_to_angle_derivative(self, v, d):
3050 r"""add_to_angle_derivative(DirectionAngle self, IMP::Float v, DerivativeAccumulator d)"""
3051 return _IMP_core.DirectionAngle_add_to_angle_derivative(self, v, d)
3053 def add_attribute(self, *args):
3055 add_attribute(DirectionAngle self, FloatKey k, IMP::Float v, bool opt)
3056 add_attribute(DirectionAngle self, FloatKey a0, IMP::Float a1)
3057 add_attribute(DirectionAngle self, IntKey a0, IMP::Int a1)
3058 add_attribute(DirectionAngle self, FloatsKey a0, IMP::Floats a1)
3059 add_attribute(DirectionAngle self, IntsKey a0, IMP::Ints a1)
3060 add_attribute(DirectionAngle self, StringKey a0, IMP::String a1)
3061 add_attribute(DirectionAngle self, ParticleIndexKey a0, Particle a1)
3062 add_attribute(DirectionAngle self, ObjectKey a0, Object a1)
3063 add_attribute(DirectionAngle self, SparseFloatKey a0, IMP::Float a1)
3064 add_attribute(DirectionAngle self, SparseIntKey a0, IMP::Int a1)
3065 add_attribute(DirectionAngle self, SparseStringKey a0, IMP::String a1)
3066 add_attribute(DirectionAngle self, SparseParticleIndexKey a0, ParticleIndex a1)
3068 return _IMP_core.DirectionAngle_add_attribute(self, *args)
3070 def get_value(self, *args):
3072 get_value(DirectionAngle self, FloatKey a0) -> IMP::Float
3073 get_value(DirectionAngle self, IntKey a0) -> IMP::Int
3074 get_value(DirectionAngle self, FloatsKey a0) -> IMP::Floats
3075 get_value(DirectionAngle self, IntsKey a0) -> IMP::Ints
3076 get_value(DirectionAngle self, StringKey a0) -> IMP::String
3077 get_value(DirectionAngle self, ParticleIndexKey a0) -> Particle
3078 get_value(DirectionAngle self, ObjectKey a0) -> Object
3079 get_value(DirectionAngle self, SparseFloatKey a0) -> IMP::Float
3080 get_value(DirectionAngle self, SparseIntKey a0) -> IMP::Int
3081 get_value(DirectionAngle self, SparseStringKey a0) -> IMP::String
3082 get_value(DirectionAngle self, SparseParticleIndexKey a0) -> ParticleIndex
3084 return _IMP_core.DirectionAngle_get_value(self, *args)
3086 def set_value(self, *args):
3088 set_value(DirectionAngle self, FloatKey a0, IMP::Float a1)
3089 set_value(DirectionAngle self, IntKey a0, IMP::Int a1)
3090 set_value(DirectionAngle self, FloatsKey a0, IMP::Floats a1)
3091 set_value(DirectionAngle self, IntsKey a0, IMP::Ints a1)
3092 set_value(DirectionAngle self, StringKey a0, IMP::String a1)
3093 set_value(DirectionAngle self, ParticleIndexKey a0, Particle a1)
3094 set_value(DirectionAngle self, ObjectKey a0, Object a1)
3095 set_value(DirectionAngle self, SparseFloatKey a0, IMP::Float a1)
3096 set_value(DirectionAngle self, SparseIntKey a0, IMP::Int a1)
3097 set_value(DirectionAngle self, SparseStringKey a0, IMP::String a1)
3098 set_value(DirectionAngle self, SparseParticleIndexKey a0, ParticleIndex a1)
3100 return _IMP_core.DirectionAngle_set_value(self, *args)
3102 def remove_attribute(self, *args):
3104 remove_attribute(DirectionAngle self, FloatKey a0)
3105 remove_attribute(DirectionAngle self, IntKey a0)
3106 remove_attribute(DirectionAngle self, FloatsKey a0)
3107 remove_attribute(DirectionAngle self, IntsKey a0)
3108 remove_attribute(DirectionAngle self, StringKey a0)
3109 remove_attribute(DirectionAngle self, ParticleIndexKey a0)
3110 remove_attribute(DirectionAngle self, ObjectKey a0)
3111 remove_attribute(DirectionAngle self, SparseFloatKey a0)
3112 remove_attribute(DirectionAngle self, SparseIntKey a0)
3113 remove_attribute(DirectionAngle self, SparseStringKey a0)
3114 remove_attribute(DirectionAngle self, SparseParticleIndexKey a0)
3116 return _IMP_core.DirectionAngle_remove_attribute(self, *args)
3118 def has_attribute(self, *args):
3120 has_attribute(DirectionAngle self, FloatKey a0) -> bool
3121 has_attribute(DirectionAngle self, IntKey a0) -> bool
3122 has_attribute(DirectionAngle self, FloatsKey a0) -> bool
3123 has_attribute(DirectionAngle self, IntsKey a0) -> bool
3124 has_attribute(DirectionAngle self, StringKey a0) -> bool
3125 has_attribute(DirectionAngle self, ParticleIndexKey a0) -> bool
3126 has_attribute(DirectionAngle self, ObjectKey a0) -> bool
3127 has_attribute(DirectionAngle self, SparseFloatKey a0) -> bool
3128 has_attribute(DirectionAngle self, SparseIntKey a0) -> bool
3129 has_attribute(DirectionAngle self, SparseStringKey a0) -> bool
3130 has_attribute(DirectionAngle self, SparseParticleIndexKey a0) -> bool
3132 return _IMP_core.DirectionAngle_has_attribute(self, *args)
3134 def get_derivative(self, a0):
3135 r"""get_derivative(DirectionAngle self, FloatKey a0) -> double"""
3136 return _IMP_core.DirectionAngle_get_derivative(self, a0)
3139 r"""get_name(DirectionAngle self) -> std::string"""
3140 return _IMP_core.DirectionAngle_get_name(self)
3142 def clear_caches(self):
3143 r"""clear_caches(DirectionAngle self)"""
3144 return _IMP_core.DirectionAngle_clear_caches(self)
3146 def set_name(self, a0):
3147 r"""set_name(DirectionAngle self, std::string a0)"""
3148 return _IMP_core.DirectionAngle_set_name(self, a0)
3151 r"""set_check_level(DirectionAngle self, IMP::CheckLevel a0)"""
3152 return _IMP_core.DirectionAngle_set_check_level(self, a0)
3154 def add_to_derivative(self, a0, a1, a2):
3155 r"""add_to_derivative(DirectionAngle self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3156 return _IMP_core.DirectionAngle_add_to_derivative(self, a0, a1, a2)
3158 def set_is_optimized(self, a0, a1):
3159 r"""set_is_optimized(DirectionAngle self, FloatKey a0, bool a1)"""
3160 return _IMP_core.DirectionAngle_set_is_optimized(self, a0, a1)
3162 def get_is_optimized(self, a0):
3163 r"""get_is_optimized(DirectionAngle self, FloatKey a0) -> bool"""
3164 return _IMP_core.DirectionAngle_get_is_optimized(self, a0)
3167 r"""get_check_level(DirectionAngle self) -> IMP::CheckLevel"""
3168 return _IMP_core.DirectionAngle_get_check_level(self)
3170 def __eq__(self, *args):
3172 __eq__(DirectionAngle self, DirectionAngle o) -> bool
3173 __eq__(DirectionAngle self, Particle d) -> bool
3175 return _IMP_core.DirectionAngle___eq__(self, *args)
3177 def __ne__(self, *args):
3179 __ne__(DirectionAngle self, DirectionAngle o) -> bool
3180 __ne__(DirectionAngle self, Particle d) -> bool
3182 return _IMP_core.DirectionAngle___ne__(self, *args)
3184 def __le__(self, *args):
3186 __le__(DirectionAngle self, DirectionAngle o) -> bool
3187 __le__(DirectionAngle self, Particle d) -> bool
3189 return _IMP_core.DirectionAngle___le__(self, *args)
3191 def __lt__(self, *args):
3193 __lt__(DirectionAngle self, DirectionAngle o) -> bool
3194 __lt__(DirectionAngle self, Particle d) -> bool
3196 return _IMP_core.DirectionAngle___lt__(self, *args)
3198 def __ge__(self, *args):
3200 __ge__(DirectionAngle self, DirectionAngle o) -> bool
3201 __ge__(DirectionAngle self, Particle d) -> bool
3203 return _IMP_core.DirectionAngle___ge__(self, *args)
3205 def __gt__(self, *args):
3207 __gt__(DirectionAngle self, DirectionAngle o) -> bool
3208 __gt__(DirectionAngle self, Particle d) -> bool
3210 return _IMP_core.DirectionAngle___gt__(self, *args)
3213 r"""__hash__(DirectionAngle self) -> std::size_t"""
3214 return _IMP_core.DirectionAngle___hash__(self)
3217 r"""__str__(DirectionAngle self) -> std::string"""
3218 return _IMP_core.DirectionAngle___str__(self)
3221 r"""__repr__(DirectionAngle self) -> std::string"""
3222 return _IMP_core.DirectionAngle___repr__(self)
3224 def _get_as_binary(self):
3225 r"""_get_as_binary(DirectionAngle self) -> PyObject *"""
3226 return _IMP_core.DirectionAngle__get_as_binary(self)
3228 def _set_from_binary(self, p):
3229 r"""_set_from_binary(DirectionAngle self, PyObject * p)"""
3230 return _IMP_core.DirectionAngle__set_from_binary(self, p)
3232 def __getstate__(self):
3233 p = self._get_as_binary()
3234 if len(self.__dict__) > 1:
3235 d = self.__dict__.copy()
3240 def __setstate__(self, p):
3241 if not hasattr(self,
'this'):
3243 if isinstance(p, tuple):
3245 self.__dict__.update(d)
3246 return self._set_from_binary(p)
3248 __swig_destroy__ = _IMP_core.delete_DirectionAngle
3251 _IMP_core.DirectionAngle_swigregister(DirectionAngle)
3253 r"""Proxy of C++ IMP::core::Surface class."""
3255 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3258 def do_setup_particle(*args):
3260 do_setup_particle(Model m, ParticleIndex pi, Vector3D center=IMP::algebra::Vector3D(0, 0, 0), Vector3D normal=IMP::algebra::Vector3D(0, 0, 1))
3261 do_setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf)
3263 return _IMP_core.Surface_do_setup_particle(*args)
3265 def __init__(self, *args):
3267 __init__(Surface self) -> Surface
3268 __init__(Surface self, Model m, ParticleIndex id) -> Surface
3269 __init__(Surface self, _ParticleAdaptor d) -> Surface
3271 _IMP_core.Surface_swiginit(self, _IMP_core.new_Surface(*args))
3273 def show(self, *args):
3274 r"""show(Surface self, _ostream out=std::cout)"""
3275 return _IMP_core.Surface_show(self, *args)
3278 def setup_particle(*args):
3280 setup_particle(Model m, ParticleIndex pi) -> Surface
3281 setup_particle(_ParticleAdaptor pa) -> Surface
3282 setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf) -> Surface
3283 setup_particle(_ParticleAdaptor pa, ReferenceFrame3D rf) -> Surface
3284 setup_particle(Model m, ParticleIndex pi, Vector3D center) -> Surface
3285 setup_particle(_ParticleAdaptor pa, Vector3D center) -> Surface
3286 setup_particle(Model m, ParticleIndex pi, Vector3D center, Vector3D normal) -> Surface
3287 setup_particle(_ParticleAdaptor pa, Vector3D center, Vector3D normal) -> Surface
3289 return _IMP_core.Surface_setup_particle(*args)
3291 def get_normal_x(self):
3292 r"""get_normal_x(Surface self) -> IMP::Float"""
3293 return _IMP_core.Surface_get_normal_x(self)
3295 def set_normal_x(self, t):
3296 r"""set_normal_x(Surface self, IMP::Float t)"""
3297 return _IMP_core.Surface_set_normal_x(self, t)
3299 def get_normal_y(self):
3300 r"""get_normal_y(Surface self) -> IMP::Float"""
3301 return _IMP_core.Surface_get_normal_y(self)
3303 def set_normal_y(self, t):
3304 r"""set_normal_y(Surface self, IMP::Float t)"""
3305 return _IMP_core.Surface_set_normal_y(self, t)
3307 def get_normal_z(self):
3308 r"""get_normal_z(Surface self) -> IMP::Float"""
3309 return _IMP_core.Surface_get_normal_z(self)
3311 def set_normal_z(self, t):
3312 r"""set_normal_z(Surface self, IMP::Float t)"""
3313 return _IMP_core.Surface_set_normal_z(self, t)
3316 def get_is_setup(*args):
3318 get_is_setup(_ParticleAdaptor p) -> bool
3319 get_is_setup(Model m, ParticleIndex pi) -> bool
3321 return _IMP_core.Surface_get_is_setup(*args)
3324 def get_normal_key(i):
3325 r"""get_normal_key(unsigned int i) -> FloatKey"""
3326 return _IMP_core.Surface_get_normal_key(i)
3328 def get_normal_derivative(self, i):
3329 r"""get_normal_derivative(Surface self, int i) -> IMP::Float"""
3330 return _IMP_core.Surface_get_normal_derivative(self, i)
3332 def get_normal_derivatives(self):
3333 r"""get_normal_derivatives(Surface self) -> Vector3D"""
3334 return _IMP_core.Surface_get_normal_derivatives(self)
3336 def add_to_normal_derivative(self, i, v, d):
3337 r"""add_to_normal_derivative(Surface self, int i, IMP::Float v, DerivativeAccumulator d)"""
3338 return _IMP_core.Surface_add_to_normal_derivative(self, i, v, d)
3340 def add_to_normal_derivatives(self, v, d):
3341 r"""add_to_normal_derivatives(Surface self, Vector3D v, DerivativeAccumulator d)"""
3342 return _IMP_core.Surface_add_to_normal_derivatives(self, v, d)
3344 def get_normal_is_optimized(self):
3345 r"""get_normal_is_optimized(Surface self) -> bool"""
3346 return _IMP_core.Surface_get_normal_is_optimized(self)
3348 def set_normal_is_optimized(self, tf):
3349 r"""set_normal_is_optimized(Surface self, bool tf)"""
3350 return _IMP_core.Surface_set_normal_is_optimized(self, tf)
3352 def get_normal(self):
3353 r"""get_normal(Surface self) -> Vector3D"""
3354 return _IMP_core.Surface_get_normal(self)
3356 def set_normal(self, normal):
3357 r"""set_normal(Surface self, Vector3D normal)"""
3358 return _IMP_core.Surface_set_normal(self, normal)
3361 r"""reflect(Surface self)"""
3362 return _IMP_core.Surface_reflect(self)
3365 r"""get_height(Surface self, Vector3D v) -> double"""
3366 return _IMP_core.Surface_get_height(self, v)
3369 r"""get_depth(Surface self, Vector3D v) -> double"""
3370 return _IMP_core.Surface_get_depth(self, v)
3372 def get_distance_to(self, v):
3373 r"""get_distance_to(Surface self, Vector3D v) -> double"""
3374 return _IMP_core.Surface_get_distance_to(self, v)
3376 def get_distance_to_center(self, v):
3377 r"""get_distance_to_center(Surface self, Vector3D v) -> double"""
3378 return _IMP_core.Surface_get_distance_to_center(self, v)
3380 def set_reference_frame(self, rf):
3381 r"""set_reference_frame(Surface self, ReferenceFrame3D rf)"""
3382 return _IMP_core.Surface_set_reference_frame(self, rf)
3384 def get_reference_frame(self):
3385 r"""get_reference_frame(Surface self) -> ReferenceFrame3D"""
3386 return _IMP_core.Surface_get_reference_frame(self)
3388 def get_plane(self):
3389 r"""get_plane(Surface self) -> Plane3D"""
3390 return _IMP_core.Surface_get_plane(self)
3392 def add_attribute(self, *args):
3394 add_attribute(Surface self, FloatKey k, IMP::Float v, bool opt)
3395 add_attribute(Surface self, FloatKey a0, IMP::Float a1)
3396 add_attribute(Surface self, IntKey a0, IMP::Int a1)
3397 add_attribute(Surface self, FloatsKey a0, IMP::Floats a1)
3398 add_attribute(Surface self, IntsKey a0, IMP::Ints a1)
3399 add_attribute(Surface self, StringKey a0, IMP::String a1)
3400 add_attribute(Surface self, ParticleIndexKey a0, Particle a1)
3401 add_attribute(Surface self, ObjectKey a0, Object a1)
3402 add_attribute(Surface self, SparseFloatKey a0, IMP::Float a1)
3403 add_attribute(Surface self, SparseIntKey a0, IMP::Int a1)
3404 add_attribute(Surface self, SparseStringKey a0, IMP::String a1)
3405 add_attribute(Surface self, SparseParticleIndexKey a0, ParticleIndex a1)
3407 return _IMP_core.Surface_add_attribute(self, *args)
3409 def get_value(self, *args):
3411 get_value(Surface self, FloatKey a0) -> IMP::Float
3412 get_value(Surface self, IntKey a0) -> IMP::Int
3413 get_value(Surface self, FloatsKey a0) -> IMP::Floats
3414 get_value(Surface self, IntsKey a0) -> IMP::Ints
3415 get_value(Surface self, StringKey a0) -> IMP::String
3416 get_value(Surface self, ParticleIndexKey a0) -> Particle
3417 get_value(Surface self, ObjectKey a0) -> Object
3418 get_value(Surface self, SparseFloatKey a0) -> IMP::Float
3419 get_value(Surface self, SparseIntKey a0) -> IMP::Int
3420 get_value(Surface self, SparseStringKey a0) -> IMP::String
3421 get_value(Surface self, SparseParticleIndexKey a0) -> ParticleIndex
3423 return _IMP_core.Surface_get_value(self, *args)
3425 def set_value(self, *args):
3427 set_value(Surface self, FloatKey a0, IMP::Float a1)
3428 set_value(Surface self, IntKey a0, IMP::Int a1)
3429 set_value(Surface self, FloatsKey a0, IMP::Floats a1)
3430 set_value(Surface self, IntsKey a0, IMP::Ints a1)
3431 set_value(Surface self, StringKey a0, IMP::String a1)
3432 set_value(Surface self, ParticleIndexKey a0, Particle a1)
3433 set_value(Surface self, ObjectKey a0, Object a1)
3434 set_value(Surface self, SparseFloatKey a0, IMP::Float a1)
3435 set_value(Surface self, SparseIntKey a0, IMP::Int a1)
3436 set_value(Surface self, SparseStringKey a0, IMP::String a1)
3437 set_value(Surface self, SparseParticleIndexKey a0, ParticleIndex a1)
3439 return _IMP_core.Surface_set_value(self, *args)
3441 def remove_attribute(self, *args):
3443 remove_attribute(Surface self, FloatKey a0)
3444 remove_attribute(Surface self, IntKey a0)
3445 remove_attribute(Surface self, FloatsKey a0)
3446 remove_attribute(Surface self, IntsKey a0)
3447 remove_attribute(Surface self, StringKey a0)
3448 remove_attribute(Surface self, ParticleIndexKey a0)
3449 remove_attribute(Surface self, ObjectKey a0)
3450 remove_attribute(Surface self, SparseFloatKey a0)
3451 remove_attribute(Surface self, SparseIntKey a0)
3452 remove_attribute(Surface self, SparseStringKey a0)
3453 remove_attribute(Surface self, SparseParticleIndexKey a0)
3455 return _IMP_core.Surface_remove_attribute(self, *args)
3457 def has_attribute(self, *args):
3459 has_attribute(Surface self, FloatKey a0) -> bool
3460 has_attribute(Surface self, IntKey a0) -> bool
3461 has_attribute(Surface self, FloatsKey a0) -> bool
3462 has_attribute(Surface self, IntsKey a0) -> bool
3463 has_attribute(Surface self, StringKey a0) -> bool
3464 has_attribute(Surface self, ParticleIndexKey a0) -> bool
3465 has_attribute(Surface self, ObjectKey a0) -> bool
3466 has_attribute(Surface self, SparseFloatKey a0) -> bool
3467 has_attribute(Surface self, SparseIntKey a0) -> bool
3468 has_attribute(Surface self, SparseStringKey a0) -> bool
3469 has_attribute(Surface self, SparseParticleIndexKey a0) -> bool
3471 return _IMP_core.Surface_has_attribute(self, *args)
3473 def get_derivative(self, a0):
3474 r"""get_derivative(Surface self, FloatKey a0) -> double"""
3475 return _IMP_core.Surface_get_derivative(self, a0)
3478 r"""get_name(Surface self) -> std::string"""
3479 return _IMP_core.Surface_get_name(self)
3481 def clear_caches(self):
3482 r"""clear_caches(Surface self)"""
3483 return _IMP_core.Surface_clear_caches(self)
3485 def set_name(self, a0):
3486 r"""set_name(Surface self, std::string a0)"""
3487 return _IMP_core.Surface_set_name(self, a0)
3490 r"""set_check_level(Surface self, IMP::CheckLevel a0)"""
3491 return _IMP_core.Surface_set_check_level(self, a0)
3493 def add_to_derivative(self, a0, a1, a2):
3494 r"""add_to_derivative(Surface self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3495 return _IMP_core.Surface_add_to_derivative(self, a0, a1, a2)
3497 def set_is_optimized(self, a0, a1):
3498 r"""set_is_optimized(Surface self, FloatKey a0, bool a1)"""
3499 return _IMP_core.Surface_set_is_optimized(self, a0, a1)
3501 def get_is_optimized(self, a0):
3502 r"""get_is_optimized(Surface self, FloatKey a0) -> bool"""
3503 return _IMP_core.Surface_get_is_optimized(self, a0)
3506 r"""get_check_level(Surface self) -> IMP::CheckLevel"""
3507 return _IMP_core.Surface_get_check_level(self)
3509 def __eq__(self, *args):
3511 __eq__(Surface self, Surface o) -> bool
3512 __eq__(Surface self, Particle d) -> bool
3514 return _IMP_core.Surface___eq__(self, *args)
3516 def __ne__(self, *args):
3518 __ne__(Surface self, Surface o) -> bool
3519 __ne__(Surface self, Particle d) -> bool
3521 return _IMP_core.Surface___ne__(self, *args)
3523 def __le__(self, *args):
3525 __le__(Surface self, Surface o) -> bool
3526 __le__(Surface self, Particle d) -> bool
3528 return _IMP_core.Surface___le__(self, *args)
3530 def __lt__(self, *args):
3532 __lt__(Surface self, Surface o) -> bool
3533 __lt__(Surface self, Particle d) -> bool
3535 return _IMP_core.Surface___lt__(self, *args)
3537 def __ge__(self, *args):
3539 __ge__(Surface self, Surface o) -> bool
3540 __ge__(Surface self, Particle d) -> bool
3542 return _IMP_core.Surface___ge__(self, *args)
3544 def __gt__(self, *args):
3546 __gt__(Surface self, Surface o) -> bool
3547 __gt__(Surface self, Particle d) -> bool
3549 return _IMP_core.Surface___gt__(self, *args)
3552 r"""__hash__(Surface self) -> std::size_t"""
3553 return _IMP_core.Surface___hash__(self)
3556 r"""__str__(Surface self) -> std::string"""
3557 return _IMP_core.Surface___str__(self)
3560 r"""__repr__(Surface self) -> std::string"""
3561 return _IMP_core.Surface___repr__(self)
3563 def _get_as_binary(self):
3564 r"""_get_as_binary(Surface self) -> PyObject *"""
3565 return _IMP_core.Surface__get_as_binary(self)
3567 def _set_from_binary(self, p):
3568 r"""_set_from_binary(Surface self, PyObject * p)"""
3569 return _IMP_core.Surface__set_from_binary(self, p)
3571 def __getstate__(self):
3572 p = self._get_as_binary()
3573 if len(self.__dict__) > 1:
3574 d = self.__dict__.copy()
3579 def __setstate__(self, p):
3580 if not hasattr(self,
'this'):
3582 if isinstance(p, tuple):
3584 self.__dict__.update(d)
3585 return self._set_from_binary(p)
3587 __swig_destroy__ = _IMP_core.delete_Surface
3590 _IMP_core.Surface_swigregister(Surface)
3594 get_height(Surface s, XYZR d) -> double
3595 get_height(Surface s, XYZ d) -> double
3597 return _IMP_core.get_height(*args)
3601 get_depth(Surface s, XYZR d) -> double
3602 get_depth(Surface s, XYZ d) -> double
3604 return _IMP_core.get_depth(*args)
3608 get_distance(XYZ a, XYZ b) -> double
3609 get_distance(XYZR a, XYZR b) -> double
3610 get_distance(Surface s, XYZR d) -> double
3611 get_distance(Surface s, XYZ d) -> double
3613 return _IMP_core.get_distance(*args)
3615 r"""Proxy of C++ IMP::core::SurfaceGeometry class."""
3617 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3619 def __init__(self, *args):
3621 __init__(SurfaceGeometry self, std::string n="SurfaceGeometry") -> SurfaceGeometry
3622 __init__(SurfaceGeometry self, Surface s, std::string const n="SurfaceGeometry") -> SurfaceGeometry
3623 __init__(SurfaceGeometry self, Surface s, Color c, std::string n="SurfaceGeometry") -> SurfaceGeometry
3625 _IMP_core.SurfaceGeometry_swiginit(self, _IMP_core.new_SurfaceGeometry(*args))
3627 def get_geometry(self):
3628 r"""get_geometry(SurfaceGeometry self) -> Surface"""
3629 return _IMP_core.SurfaceGeometry_get_geometry(self)
3631 def set_geometry(self, s):
3632 r"""set_geometry(SurfaceGeometry self, Surface s)"""
3633 return _IMP_core.SurfaceGeometry_set_geometry(self, s)
3635 def get_version_info(self):
3636 r"""get_version_info(SurfaceGeometry self) -> VersionInfo"""
3637 return _IMP_core.SurfaceGeometry_get_version_info(self)
3638 __swig_destroy__ = _IMP_core.delete_SurfaceGeometry
3641 r"""__str__(SurfaceGeometry self) -> std::string"""
3642 return _IMP_core.SurfaceGeometry___str__(self)
3645 r"""__repr__(SurfaceGeometry self) -> std::string"""
3646 return _IMP_core.SurfaceGeometry___repr__(self)
3650 return _object_cast_to_SurfaceGeometry(o)
3654 _IMP_core.SurfaceGeometry_swigregister(SurfaceGeometry)
3657 r"""create_geometry(Surface s, std::string name=std::string("SurfaceGeometry%1%")) -> SurfaceGeometry"""
3658 return _IMP_core.create_geometry(*args)
3660 r"""Proxy of C++ IMP::core::SurfaceGeometryConstraint class."""
3662 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3664 def __init__(self, s, g):
3665 r"""__init__(SurfaceGeometryConstraint self, Surface s, SurfaceGeometry g) -> SurfaceGeometryConstraint"""
3666 _IMP_core.SurfaceGeometryConstraint_swiginit(self, _IMP_core.new_SurfaceGeometryConstraint(s, g))
3668 def get_surface(self):
3669 r"""get_surface(SurfaceGeometryConstraint self) -> Surface"""
3670 return _IMP_core.SurfaceGeometryConstraint_get_surface(self)
3672 def get_geometry(self):
3673 r"""get_geometry(SurfaceGeometryConstraint self) -> SurfaceGeometry"""
3674 return _IMP_core.SurfaceGeometryConstraint_get_geometry(self)
3676 def do_get_inputs(self):
3677 r"""do_get_inputs(SurfaceGeometryConstraint self) -> IMP::ModelObjectsTemp"""
3678 return _IMP_core.SurfaceGeometryConstraint_do_get_inputs(self)
3680 def do_get_outputs(self):
3681 r"""do_get_outputs(SurfaceGeometryConstraint self) -> IMP::ModelObjectsTemp"""
3682 return _IMP_core.SurfaceGeometryConstraint_do_get_outputs(self)
3684 def get_version_info(self):
3685 r"""get_version_info(SurfaceGeometryConstraint self) -> VersionInfo"""
3686 return _IMP_core.SurfaceGeometryConstraint_get_version_info(self)
3687 __swig_destroy__ = _IMP_core.delete_SurfaceGeometryConstraint
3690 r"""__str__(SurfaceGeometryConstraint self) -> std::string"""
3691 return _IMP_core.SurfaceGeometryConstraint___str__(self)
3694 r"""__repr__(SurfaceGeometryConstraint self) -> std::string"""
3695 return _IMP_core.SurfaceGeometryConstraint___repr__(self)
3699 return _object_cast_to_SurfaceGeometryConstraint(o)
3703 _IMP_core.SurfaceGeometryConstraint_swigregister(SurfaceGeometryConstraint)
3706 r"""get_constrained_surface_geometry(Surface s, std::string name="SurfaceGeometry%1%") -> SurfaceGeometry"""
3707 return _IMP_core.get_constrained_surface_geometry(*args)
3709 r"""Proxy of C++ IMP::core::LateralSurfaceConstraint class."""
3711 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3713 def __init__(self, s, d):
3714 r"""__init__(LateralSurfaceConstraint self, Surface s, XYZ d) -> LateralSurfaceConstraint"""
3715 _IMP_core.LateralSurfaceConstraint_swiginit(self, _IMP_core.new_LateralSurfaceConstraint(s, d))
3717 def do_get_inputs(self):
3718 r"""do_get_inputs(LateralSurfaceConstraint self) -> IMP::ModelObjectsTemp"""
3719 return _IMP_core.LateralSurfaceConstraint_do_get_inputs(self)
3721 def do_get_outputs(self):
3722 r"""do_get_outputs(LateralSurfaceConstraint self) -> IMP::ModelObjectsTemp"""
3723 return _IMP_core.LateralSurfaceConstraint_do_get_outputs(self)
3725 def get_version_info(self):
3726 r"""get_version_info(LateralSurfaceConstraint self) -> VersionInfo"""
3727 return _IMP_core.LateralSurfaceConstraint_get_version_info(self)
3728 __swig_destroy__ = _IMP_core.delete_LateralSurfaceConstraint
3731 r"""__str__(LateralSurfaceConstraint self) -> std::string"""
3732 return _IMP_core.LateralSurfaceConstraint___str__(self)
3735 r"""__repr__(LateralSurfaceConstraint self) -> std::string"""
3736 return _IMP_core.LateralSurfaceConstraint___repr__(self)
3740 return _object_cast_to_LateralSurfaceConstraint(o)
3744 _IMP_core.LateralSurfaceConstraint_swigregister(LateralSurfaceConstraint)
3746 r"""Proxy of C++ IMP::core::AngleTripletScore class."""
3748 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3750 def __init__(self, *args):
3752 __init__(AngleTripletScore self, UnaryFunction f) -> AngleTripletScore
3753 __init__(AngleTripletScore self) -> AngleTripletScore
3755 _IMP_core.AngleTripletScore_swiginit(self, _IMP_core.new_AngleTripletScore(*args))
3757 def do_get_inputs(self, m, pis):
3758 r"""do_get_inputs(AngleTripletScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3759 return _IMP_core.AngleTripletScore_do_get_inputs(self, m, pis)
3761 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
3762 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"""
3763 return _IMP_core.AngleTripletScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
3765 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
3766 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"""
3767 return _IMP_core.AngleTripletScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
3769 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
3770 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"""
3771 return _IMP_core.AngleTripletScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
3773 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3774 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"""
3775 return _IMP_core.AngleTripletScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3777 def get_version_info(self):
3778 r"""get_version_info(AngleTripletScore self) -> VersionInfo"""
3779 return _IMP_core.AngleTripletScore_get_version_info(self)
3780 __swig_destroy__ = _IMP_core.delete_AngleTripletScore
3783 r"""__str__(AngleTripletScore self) -> std::string"""
3784 return _IMP_core.AngleTripletScore___str__(self)
3787 r"""__repr__(AngleTripletScore self) -> std::string"""
3788 return _IMP_core.AngleTripletScore___repr__(self)
3792 return _object_cast_to_AngleTripletScore(o)
3795 def _get_as_binary(self):
3796 r"""_get_as_binary(AngleTripletScore self) -> PyObject *"""
3797 return _IMP_core.AngleTripletScore__get_as_binary(self)
3799 def _set_from_binary(self, p):
3800 r"""_set_from_binary(AngleTripletScore self, PyObject * p)"""
3801 return _IMP_core.AngleTripletScore__set_from_binary(self, p)
3803 def __getstate__(self):
3804 p = self._get_as_binary()
3805 if len(self.__dict__) > 1:
3806 d = self.__dict__.copy()
3811 def __setstate__(self, p):
3812 if not hasattr(self,
'this'):
3814 if isinstance(p, tuple):
3816 self.__dict__.update(d)
3817 return self._set_from_binary(p)
3821 _IMP_core.AngleTripletScore_swigregister(AngleTripletScore)
3822 class BallMover(MonteCarloMover):
3823 r"""Proxy of C++ IMP::core::BallMover class."""
3825 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3827 def __init__(self, *args):
3829 __init__(BallMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double radius) -> BallMover
3830 __init__(BallMover self, Model m, ParticleIndex pi, double radius) -> BallMover
3831 __init__(BallMover self, Model m, IMP::ParticleIndexes const & pis, IMP::FloatKeys const & vars, IMP::Float radius) -> BallMover
3832 __init__(BallMover self, Model m, IMP::ParticleIndexes const & pis, IMP::Float radius) -> BallMover
3833 __init__(BallMover self) -> BallMover
3835 _IMP_core.BallMover_swiginit(self, _IMP_core.new_BallMover(*args))
3837 def set_radius(self, radius):
3838 r"""set_radius(BallMover self, IMP::Float radius)"""
3839 return _IMP_core.BallMover_set_radius(self, radius)
3841 def get_radius(self):
3842 r"""get_radius(BallMover self) -> IMP::Float"""
3843 return _IMP_core.BallMover_get_radius(self)
3846 r"""get_indexes(BallMover self) -> IMP::ParticleIndexes"""
3847 return _IMP_core.BallMover_get_indexes(self)
3850 r"""get_keys(BallMover self) -> IMP::FloatKeys"""
3851 return _IMP_core.BallMover_get_keys(self)
3853 def get_version_info(self):
3854 r"""get_version_info(BallMover self) -> VersionInfo"""
3855 return _IMP_core.BallMover_get_version_info(self)
3856 __swig_destroy__ = _IMP_core.delete_BallMover
3859 r"""__str__(BallMover self) -> std::string"""
3860 return _IMP_core.BallMover___str__(self)
3863 r"""__repr__(BallMover self) -> std::string"""
3864 return _IMP_core.BallMover___repr__(self)
3868 return _object_cast_to_BallMover(o)
3871 def _get_as_binary(self):
3872 r"""_get_as_binary(BallMover self) -> PyObject *"""
3873 return _IMP_core.BallMover__get_as_binary(self)
3875 def _set_from_binary(self, p):
3876 r"""_set_from_binary(BallMover self, PyObject * p)"""
3877 return _IMP_core.BallMover__set_from_binary(self, p)
3879 def __getstate__(self):
3880 p = self._get_as_binary()
3881 if len(self.__dict__) > 1:
3882 d = self.__dict__.copy()
3887 def __setstate__(self, p):
3888 if not hasattr(self,
'this'):
3890 if isinstance(p, tuple):
3892 self.__dict__.update(d)
3893 return self._set_from_binary(p)
3898 from IMP.algebra._jax_util
import get_random_vector_in_3d_sphere
3899 indexes = self.get_indexes()
3900 keys = frozenset(self.get_keys())
3902 raise NotImplementedError(
"Only works for XYZ")
3903 radius = self.get_radius()
3908 def propose_func(jm, key):
3909 key, subkey = jax.random.split(key)
3910 v = get_random_vector_in_3d_sphere(subkey, radius)
3911 jm[
'xyz'] = jm[
'xyz'].at[indexes].add(v)
3913 return self._wrap_jax(init_func, propose_func)
3917 _IMP_core.BallMover_swigregister(BallMover)
3918 class SerialMover(MonteCarloMover):
3919 r"""Proxy of C++ IMP::core::SerialMover class."""
3921 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3923 def __init__(self, *args):
3925 __init__(SerialMover self, IMP::core::MonteCarloMoversTemp const & mvs) -> SerialMover
3926 __init__(SerialMover self) -> SerialMover
3928 _IMP_core.SerialMover_swiginit(self, _IMP_core.new_SerialMover(*args))
3930 def get_movers(self):
3931 r"""get_movers(SerialMover self) -> IMP::core::MonteCarloMovers const &"""
3932 return _IMP_core.SerialMover_get_movers(self)
3934 def get_version_info(self):
3935 r"""get_version_info(SerialMover self) -> VersionInfo"""
3936 return _IMP_core.SerialMover_get_version_info(self)
3937 __swig_destroy__ = _IMP_core.delete_SerialMover
3940 r"""__str__(SerialMover self) -> std::string"""
3941 return _IMP_core.SerialMover___str__(self)
3944 r"""__repr__(SerialMover self) -> std::string"""
3945 return _IMP_core.SerialMover___repr__(self)
3949 return _object_cast_to_SerialMover(o)
3952 def _get_as_binary(self):
3953 r"""_get_as_binary(SerialMover self) -> PyObject *"""
3954 return _IMP_core.SerialMover__get_as_binary(self)
3956 def _set_from_binary(self, p):
3957 r"""_set_from_binary(SerialMover self, PyObject * p)"""
3958 return _IMP_core.SerialMover__set_from_binary(self, p)
3960 def __getstate__(self):
3961 p = self._get_as_binary()
3962 if len(self.__dict__) > 1:
3963 d = self.__dict__.copy()
3968 def __setstate__(self, p):
3969 if not hasattr(self,
'this'):
3971 if isinstance(p, tuple):
3973 self.__dict__.update(d)
3974 return self._set_from_binary(p)
3980 import jax.numpy
as jnp
3981 from IMP.core._jax_util
import _SerialMover
3982 movers = [m.get_derived_object()._get_jax()
3983 for m
in self.get_movers()]
3985 def sub_propose_func(jm, sms, i):
3986 """Call the propose_func of the ith mover"""
3987 jm, sms.mover_state[i], ratio = movers[i].propose_func(
3988 jm, sms.mover_state[i])
3989 sms.proposed_mover_steps = sms.proposed_mover_steps.at[i].add(1)
3990 return jm, sms, ratio
3992 sub_propose_funcs = [functools.partial(sub_propose_func, i=i)
3993 for i
in range(len(movers))]
3999 key, subkey = jax.random.split(key)
4000 mover_state.append(m.init_func(subkey))
4001 return _SerialMover(
4002 imov=-1, mover_state=mover_state,
4003 proposed_mover_steps=jnp.zeros(len(movers), dtype=int),
4004 accepted_mover_steps=jnp.zeros(len(movers), dtype=int))
4006 def propose_func(jm, sms):
4007 sms.imov = jnp.mod(sms.imov + 1, len(movers))
4008 return jax.lax.switch(sms.imov, sub_propose_funcs, jm, sms)
4010 def accept_func(sms):
4012 sms.accepted_mover_steps = \
4013 sms.accepted_mover_steps.at[sms.imov].add(1)
4016 def sync_func(imp_mover, sms):
4018 for i, mover
in enumerate(imp_mover.get_movers()):
4019 mover.add_to_statistics(
4020 sms.proposed_mover_steps[i],
4021 sms.proposed_mover_steps[i] - sms.accepted_mover_steps[i])
4023 return self._wrap_jax(init_func, propose_func, accept_func, sync_func)
4027 _IMP_core.SerialMover_swigregister(SerialMover)
4028 class SubsetMover(MonteCarloMover):
4029 r"""Proxy of C++ IMP::core::SubsetMover class."""
4031 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4033 def __init__(self, *args):
4035 __init__(SubsetMover self, IMP::core::MonteCarloMoversTemp const & mvs, unsigned int n) -> SubsetMover
4036 __init__(SubsetMover self) -> SubsetMover
4038 _IMP_core.SubsetMover_swiginit(self, _IMP_core.new_SubsetMover(*args))
4040 def get_movers(self):
4041 r"""get_movers(SubsetMover self) -> IMP::core::MonteCarloMovers const &"""
4042 return _IMP_core.SubsetMover_get_movers(self)
4044 def get_subset_size(self):
4045 r"""get_subset_size(SubsetMover self) -> unsigned int"""
4046 return _IMP_core.SubsetMover_get_subset_size(self)
4048 def get_version_info(self):
4049 r"""get_version_info(SubsetMover self) -> VersionInfo"""
4050 return _IMP_core.SubsetMover_get_version_info(self)
4051 __swig_destroy__ = _IMP_core.delete_SubsetMover
4054 r"""__str__(SubsetMover self) -> std::string"""
4055 return _IMP_core.SubsetMover___str__(self)
4058 r"""__repr__(SubsetMover self) -> std::string"""
4059 return _IMP_core.SubsetMover___repr__(self)
4063 return _object_cast_to_SubsetMover(o)
4066 def _get_as_binary(self):
4067 r"""_get_as_binary(SubsetMover self) -> PyObject *"""
4068 return _IMP_core.SubsetMover__get_as_binary(self)
4070 def _set_from_binary(self, p):
4071 r"""_set_from_binary(SubsetMover self, PyObject * p)"""
4072 return _IMP_core.SubsetMover__set_from_binary(self, p)
4074 def __getstate__(self):
4075 p = self._get_as_binary()
4076 if len(self.__dict__) > 1:
4077 d = self.__dict__.copy()
4082 def __setstate__(self, p):
4083 if not hasattr(self,
'this'):
4085 if isinstance(p, tuple):
4087 self.__dict__.update(d)
4088 return self._set_from_binary(p)
4092 _IMP_core.SubsetMover_swigregister(SubsetMover)
4093 class DirectionMover(MonteCarloMover):
4094 r"""Proxy of C++ IMP::core::DirectionMover class."""
4096 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4098 def __init__(self, *args):
4100 __init__(DirectionMover self, Model m, ParticleIndex pi, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4101 __init__(DirectionMover self, Direction d, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4102 __init__(DirectionMover self) -> DirectionMover
4104 _IMP_core.DirectionMover_swiginit(self, _IMP_core.new_DirectionMover(*args))
4106 def set_maximum_rotation(self, mr):
4107 r"""set_maximum_rotation(DirectionMover self, IMP::Float mr)"""
4108 return _IMP_core.DirectionMover_set_maximum_rotation(self, mr)
4110 def set_reflect_probability(self, rp):
4111 r"""set_reflect_probability(DirectionMover self, IMP::Float rp)"""
4112 return _IMP_core.DirectionMover_set_reflect_probability(self, rp)
4114 def get_maximum_rotation(self):
4115 r"""get_maximum_rotation(DirectionMover self) -> IMP::Float"""
4116 return _IMP_core.DirectionMover_get_maximum_rotation(self)
4118 def get_reflect_probability(self):
4119 r"""get_reflect_probability(DirectionMover self) -> IMP::Float"""
4120 return _IMP_core.DirectionMover_get_reflect_probability(self)
4122 def get_direction(self):
4123 r"""get_direction(DirectionMover self) -> Direction"""
4124 return _IMP_core.DirectionMover_get_direction(self)
4126 def get_version_info(self):
4127 r"""get_version_info(DirectionMover self) -> VersionInfo"""
4128 return _IMP_core.DirectionMover_get_version_info(self)
4129 __swig_destroy__ = _IMP_core.delete_DirectionMover
4132 r"""__str__(DirectionMover self) -> std::string"""
4133 return _IMP_core.DirectionMover___str__(self)
4136 r"""__repr__(DirectionMover self) -> std::string"""
4137 return _IMP_core.DirectionMover___repr__(self)
4141 return _object_cast_to_DirectionMover(o)
4144 def _get_as_binary(self):
4145 r"""_get_as_binary(DirectionMover self) -> PyObject *"""
4146 return _IMP_core.DirectionMover__get_as_binary(self)
4148 def _set_from_binary(self, p):
4149 r"""_set_from_binary(DirectionMover self, PyObject * p)"""
4150 return _IMP_core.DirectionMover__set_from_binary(self, p)
4152 def __getstate__(self):
4153 p = self._get_as_binary()
4154 if len(self.__dict__) > 1:
4155 d = self.__dict__.copy()
4160 def __setstate__(self, p):
4161 if not hasattr(self,
'this'):
4163 if isinstance(p, tuple):
4165 self.__dict__.update(d)
4166 return self._set_from_binary(p)
4170 _IMP_core.DirectionMover_swigregister(DirectionMover)
4171 class SurfaceMover(MonteCarloMover):
4172 r"""Proxy of C++ IMP::core::SurfaceMover class."""
4174 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4176 def __init__(self, *args):
4178 __init__(SurfaceMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4179 __init__(SurfaceMover self, Surface s, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4180 __init__(SurfaceMover self) -> SurfaceMover
4182 _IMP_core.SurfaceMover_swiginit(self, _IMP_core.new_SurfaceMover(*args))
4184 def set_maximum_translation(self, mt):
4185 r"""set_maximum_translation(SurfaceMover self, IMP::Float mt)"""
4186 return _IMP_core.SurfaceMover_set_maximum_translation(self, mt)
4188 def set_maximum_rotation(self, mr):
4189 r"""set_maximum_rotation(SurfaceMover self, IMP::Float mr)"""
4190 return _IMP_core.SurfaceMover_set_maximum_rotation(self, mr)
4192 def set_reflect_probability(self, rp):
4193 r"""set_reflect_probability(SurfaceMover self, IMP::Float rp)"""
4194 return _IMP_core.SurfaceMover_set_reflect_probability(self, rp)
4196 def get_maximum_translation(self):
4197 r"""get_maximum_translation(SurfaceMover self) -> IMP::Float"""
4198 return _IMP_core.SurfaceMover_get_maximum_translation(self)
4200 def get_maximum_rotation(self):
4201 r"""get_maximum_rotation(SurfaceMover self) -> IMP::Float"""
4202 return _IMP_core.SurfaceMover_get_maximum_rotation(self)
4204 def get_reflect_probability(self):
4205 r"""get_reflect_probability(SurfaceMover self) -> IMP::Float"""
4206 return _IMP_core.SurfaceMover_get_reflect_probability(self)
4208 def get_surface(self):
4209 r"""get_surface(SurfaceMover self) -> Surface"""
4210 return _IMP_core.SurfaceMover_get_surface(self)
4212 def get_version_info(self):
4213 r"""get_version_info(SurfaceMover self) -> VersionInfo"""
4214 return _IMP_core.SurfaceMover_get_version_info(self)
4215 __swig_destroy__ = _IMP_core.delete_SurfaceMover
4218 r"""__str__(SurfaceMover self) -> std::string"""
4219 return _IMP_core.SurfaceMover___str__(self)
4222 r"""__repr__(SurfaceMover self) -> std::string"""
4223 return _IMP_core.SurfaceMover___repr__(self)
4227 return _object_cast_to_SurfaceMover(o)
4230 def _get_as_binary(self):
4231 r"""_get_as_binary(SurfaceMover self) -> PyObject *"""
4232 return _IMP_core.SurfaceMover__get_as_binary(self)
4234 def _set_from_binary(self, p):
4235 r"""_set_from_binary(SurfaceMover self, PyObject * p)"""
4236 return _IMP_core.SurfaceMover__set_from_binary(self, p)
4238 def __getstate__(self):
4239 p = self._get_as_binary()
4240 if len(self.__dict__) > 1:
4241 d = self.__dict__.copy()
4246 def __setstate__(self, p):
4247 if not hasattr(self,
'this'):
4249 if isinstance(p, tuple):
4251 self.__dict__.update(d)
4252 return self._set_from_binary(p)
4256 _IMP_core.SurfaceMover_swigregister(SurfaceMover)
4257 class BoxSweepClosePairsFinder(ClosePairsFinder):
4258 r"""Proxy of C++ IMP::core::BoxSweepClosePairsFinder class."""
4260 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4263 r"""__init__(BoxSweepClosePairsFinder self) -> BoxSweepClosePairsFinder"""
4264 _IMP_core.BoxSweepClosePairsFinder_swiginit(self, _IMP_core.new_BoxSweepClosePairsFinder())
4266 def get_close_pairs(self, *args):
4268 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4269 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4270 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
4271 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
4273 return _IMP_core.BoxSweepClosePairsFinder_get_close_pairs(self, *args)
4275 def do_get_inputs(self, m, pis):
4276 r"""do_get_inputs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4277 return _IMP_core.BoxSweepClosePairsFinder_do_get_inputs(self, m, pis)
4279 def get_version_info(self):
4280 r"""get_version_info(BoxSweepClosePairsFinder self) -> VersionInfo"""
4281 return _IMP_core.BoxSweepClosePairsFinder_get_version_info(self)
4282 __swig_destroy__ = _IMP_core.delete_BoxSweepClosePairsFinder
4285 r"""__str__(BoxSweepClosePairsFinder self) -> std::string"""
4286 return _IMP_core.BoxSweepClosePairsFinder___str__(self)
4289 r"""__repr__(BoxSweepClosePairsFinder self) -> std::string"""
4290 return _IMP_core.BoxSweepClosePairsFinder___repr__(self)
4294 return _object_cast_to_BoxSweepClosePairsFinder(o)
4298 _IMP_core.BoxSweepClosePairsFinder_swigregister(BoxSweepClosePairsFinder)
4300 r"""Proxy of C++ IMP::core::CentroidOfRefined class."""
4302 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4304 def __init__(self, *args):
4305 r"""__init__(CentroidOfRefined self, Refiner r, FloatKey weight=IMP::FloatKey(), IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> CentroidOfRefined"""
4306 _IMP_core.CentroidOfRefined_swiginit(self, _IMP_core.new_CentroidOfRefined(*args))
4308 def get_refiner(self):
4309 r"""get_refiner(CentroidOfRefined self) -> Refiner"""
4310 return _IMP_core.CentroidOfRefined_get_refiner(self)
4312 def get_weight(self):
4313 r"""get_weight(CentroidOfRefined self) -> FloatKey"""
4314 return _IMP_core.CentroidOfRefined_get_weight(self)
4317 r"""get_keys(CentroidOfRefined self) -> IMP::FloatKeys"""
4318 return _IMP_core.CentroidOfRefined_get_keys(self)
4320 def get_is_weight_null(self):
4321 r"""get_is_weight_null(CentroidOfRefined self) -> bool"""
4322 return _IMP_core.CentroidOfRefined_get_is_weight_null(self)
4324 def do_get_inputs(self, m, pis):
4325 r"""do_get_inputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4326 return _IMP_core.CentroidOfRefined_do_get_inputs(self, m, pis)
4328 def do_get_outputs(self, m, pis):
4329 r"""do_get_outputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4330 return _IMP_core.CentroidOfRefined_do_get_outputs(self, m, pis)
4332 def get_version_info(self):
4333 r"""get_version_info(CentroidOfRefined self) -> VersionInfo"""
4334 return _IMP_core.CentroidOfRefined_get_version_info(self)
4335 __swig_destroy__ = _IMP_core.delete_CentroidOfRefined
4338 r"""__str__(CentroidOfRefined self) -> std::string"""
4339 return _IMP_core.CentroidOfRefined___str__(self)
4342 r"""__repr__(CentroidOfRefined self) -> std::string"""
4343 return _IMP_core.CentroidOfRefined___repr__(self)
4347 return _object_cast_to_CentroidOfRefined(o)
4350 def _get_jax(self, m, indexes):
4351 import jax.numpy
as jnp
4354 for index
in indexes]
4356 def apply_func_unweighted(jm):
4357 for ind, ref
in zip(indexes, refined):
4359 jm[
'xyz'] = xyz.at[ind].set(jnp.average(xyz[ref], axis=0))
4362 def apply_func_weighted(jm, weight_key):
4363 for ind, ref
in zip(indexes, refined):
4365 weights = jm[weight_key][ref]
4366 jm[
'xyz'] = xyz.at[ind].set(
4367 jnp.average(xyz[ref], axis=0, weights=weights))
4370 keys = frozenset(self.get_keys())
4372 raise NotImplementedError(
"Only works for XYZ")
4374 if self.get_is_weight_null():
4375 return self._wrap_jax(apply_func_unweighted)
4377 weight_key = self.get_weight()
4378 return self._wrap_jax(
4379 functools.partial(apply_func_weighted,
4380 weight_key=weight_key.get_string()),
4385 _IMP_core.CentroidOfRefined_swigregister(CentroidOfRefined)
4386 class Centroid(XYZ):
4387 r"""Proxy of C++ IMP::core::Centroid class."""
4389 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4391 def get_constraint(self):
4392 r"""get_constraint(Centroid self) -> Constraint"""
4393 return _IMP_core.Centroid_get_constraint(self)
4395 def __init__(self, *args):
4397 __init__(Centroid self) -> Centroid
4398 __init__(Centroid self, Model m, ParticleIndex id) -> Centroid
4399 __init__(Centroid self, _ParticleAdaptor d) -> Centroid
4401 _IMP_core.Centroid_swiginit(self, _IMP_core.new_Centroid(*args))
4403 def show(self, *args):
4404 r"""show(Centroid self, _ostream out=std::cout)"""
4405 return _IMP_core.Centroid_show(self, *args)
4408 def setup_particle(*args):
4410 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Centroid
4411 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Centroid
4412 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Centroid
4413 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Centroid
4415 return _IMP_core.Centroid_setup_particle(*args)
4418 def get_is_setup(*args):
4420 get_is_setup(_ParticleAdaptor p) -> bool
4421 get_is_setup(Model m, ParticleIndex pi) -> bool
4423 return _IMP_core.Centroid_get_is_setup(*args)
4425 def add_attribute(self, *args):
4427 add_attribute(Centroid self, FloatKey k, IMP::Float v, bool opt)
4428 add_attribute(Centroid self, FloatKey a0, IMP::Float a1)
4429 add_attribute(Centroid self, IntKey a0, IMP::Int a1)
4430 add_attribute(Centroid self, FloatsKey a0, IMP::Floats a1)
4431 add_attribute(Centroid self, IntsKey a0, IMP::Ints a1)
4432 add_attribute(Centroid self, StringKey a0, IMP::String a1)
4433 add_attribute(Centroid self, ParticleIndexKey a0, Particle a1)
4434 add_attribute(Centroid self, ObjectKey a0, Object a1)
4435 add_attribute(Centroid self, SparseFloatKey a0, IMP::Float a1)
4436 add_attribute(Centroid self, SparseIntKey a0, IMP::Int a1)
4437 add_attribute(Centroid self, SparseStringKey a0, IMP::String a1)
4438 add_attribute(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4440 return _IMP_core.Centroid_add_attribute(self, *args)
4442 def get_value(self, *args):
4444 get_value(Centroid self, FloatKey a0) -> IMP::Float
4445 get_value(Centroid self, IntKey a0) -> IMP::Int
4446 get_value(Centroid self, FloatsKey a0) -> IMP::Floats
4447 get_value(Centroid self, IntsKey a0) -> IMP::Ints
4448 get_value(Centroid self, StringKey a0) -> IMP::String
4449 get_value(Centroid self, ParticleIndexKey a0) -> Particle
4450 get_value(Centroid self, ObjectKey a0) -> Object
4451 get_value(Centroid self, SparseFloatKey a0) -> IMP::Float
4452 get_value(Centroid self, SparseIntKey a0) -> IMP::Int
4453 get_value(Centroid self, SparseStringKey a0) -> IMP::String
4454 get_value(Centroid self, SparseParticleIndexKey a0) -> ParticleIndex
4456 return _IMP_core.Centroid_get_value(self, *args)
4458 def set_value(self, *args):
4460 set_value(Centroid self, FloatKey a0, IMP::Float a1)
4461 set_value(Centroid self, IntKey a0, IMP::Int a1)
4462 set_value(Centroid self, FloatsKey a0, IMP::Floats a1)
4463 set_value(Centroid self, IntsKey a0, IMP::Ints a1)
4464 set_value(Centroid self, StringKey a0, IMP::String a1)
4465 set_value(Centroid self, ParticleIndexKey a0, Particle a1)
4466 set_value(Centroid self, ObjectKey a0, Object a1)
4467 set_value(Centroid self, SparseFloatKey a0, IMP::Float a1)
4468 set_value(Centroid self, SparseIntKey a0, IMP::Int a1)
4469 set_value(Centroid self, SparseStringKey a0, IMP::String a1)
4470 set_value(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4472 return _IMP_core.Centroid_set_value(self, *args)
4474 def remove_attribute(self, *args):
4476 remove_attribute(Centroid self, FloatKey a0)
4477 remove_attribute(Centroid self, IntKey a0)
4478 remove_attribute(Centroid self, FloatsKey a0)
4479 remove_attribute(Centroid self, IntsKey a0)
4480 remove_attribute(Centroid self, StringKey a0)
4481 remove_attribute(Centroid self, ParticleIndexKey a0)
4482 remove_attribute(Centroid self, ObjectKey a0)
4483 remove_attribute(Centroid self, SparseFloatKey a0)
4484 remove_attribute(Centroid self, SparseIntKey a0)
4485 remove_attribute(Centroid self, SparseStringKey a0)
4486 remove_attribute(Centroid self, SparseParticleIndexKey a0)
4488 return _IMP_core.Centroid_remove_attribute(self, *args)
4490 def has_attribute(self, *args):
4492 has_attribute(Centroid self, FloatKey a0) -> bool
4493 has_attribute(Centroid self, IntKey a0) -> bool
4494 has_attribute(Centroid self, FloatsKey a0) -> bool
4495 has_attribute(Centroid self, IntsKey a0) -> bool
4496 has_attribute(Centroid self, StringKey a0) -> bool
4497 has_attribute(Centroid self, ParticleIndexKey a0) -> bool
4498 has_attribute(Centroid self, ObjectKey a0) -> bool
4499 has_attribute(Centroid self, SparseFloatKey a0) -> bool
4500 has_attribute(Centroid self, SparseIntKey a0) -> bool
4501 has_attribute(Centroid self, SparseStringKey a0) -> bool
4502 has_attribute(Centroid self, SparseParticleIndexKey a0) -> bool
4504 return _IMP_core.Centroid_has_attribute(self, *args)
4506 def get_derivative(self, a0):
4507 r"""get_derivative(Centroid self, FloatKey a0) -> double"""
4508 return _IMP_core.Centroid_get_derivative(self, a0)
4511 r"""get_name(Centroid self) -> std::string"""
4512 return _IMP_core.Centroid_get_name(self)
4514 def clear_caches(self):
4515 r"""clear_caches(Centroid self)"""
4516 return _IMP_core.Centroid_clear_caches(self)
4518 def set_name(self, a0):
4519 r"""set_name(Centroid self, std::string a0)"""
4520 return _IMP_core.Centroid_set_name(self, a0)
4523 r"""set_check_level(Centroid self, IMP::CheckLevel a0)"""
4524 return _IMP_core.Centroid_set_check_level(self, a0)
4526 def add_to_derivative(self, a0, a1, a2):
4527 r"""add_to_derivative(Centroid self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4528 return _IMP_core.Centroid_add_to_derivative(self, a0, a1, a2)
4530 def set_is_optimized(self, a0, a1):
4531 r"""set_is_optimized(Centroid self, FloatKey a0, bool a1)"""
4532 return _IMP_core.Centroid_set_is_optimized(self, a0, a1)
4534 def get_is_optimized(self, a0):
4535 r"""get_is_optimized(Centroid self, FloatKey a0) -> bool"""
4536 return _IMP_core.Centroid_get_is_optimized(self, a0)
4539 r"""get_check_level(Centroid self) -> IMP::CheckLevel"""
4540 return _IMP_core.Centroid_get_check_level(self)
4542 def __eq__(self, *args):
4544 __eq__(Centroid self, Centroid o) -> bool
4545 __eq__(Centroid self, Particle d) -> bool
4547 return _IMP_core.Centroid___eq__(self, *args)
4549 def __ne__(self, *args):
4551 __ne__(Centroid self, Centroid o) -> bool
4552 __ne__(Centroid self, Particle d) -> bool
4554 return _IMP_core.Centroid___ne__(self, *args)
4556 def __le__(self, *args):
4558 __le__(Centroid self, Centroid o) -> bool
4559 __le__(Centroid self, Particle d) -> bool
4561 return _IMP_core.Centroid___le__(self, *args)
4563 def __lt__(self, *args):
4565 __lt__(Centroid self, Centroid o) -> bool
4566 __lt__(Centroid self, Particle d) -> bool
4568 return _IMP_core.Centroid___lt__(self, *args)
4570 def __ge__(self, *args):
4572 __ge__(Centroid self, Centroid o) -> bool
4573 __ge__(Centroid self, Particle d) -> bool
4575 return _IMP_core.Centroid___ge__(self, *args)
4577 def __gt__(self, *args):
4579 __gt__(Centroid self, Centroid o) -> bool
4580 __gt__(Centroid self, Particle d) -> bool
4582 return _IMP_core.Centroid___gt__(self, *args)
4585 r"""__hash__(Centroid self) -> std::size_t"""
4586 return _IMP_core.Centroid___hash__(self)
4589 r"""__str__(Centroid self) -> std::string"""
4590 return _IMP_core.Centroid___str__(self)
4593 r"""__repr__(Centroid self) -> std::string"""
4594 return _IMP_core.Centroid___repr__(self)
4596 def _get_as_binary(self):
4597 r"""_get_as_binary(Centroid self) -> PyObject *"""
4598 return _IMP_core.Centroid__get_as_binary(self)
4600 def _set_from_binary(self, p):
4601 r"""_set_from_binary(Centroid self, PyObject * p)"""
4602 return _IMP_core.Centroid__set_from_binary(self, p)
4604 def __getstate__(self):
4605 p = self._get_as_binary()
4606 if len(self.__dict__) > 1:
4607 d = self.__dict__.copy()
4612 def __setstate__(self, p):
4613 if not hasattr(self,
'this'):
4615 if isinstance(p, tuple):
4617 self.__dict__.update(d)
4618 return self._set_from_binary(p)
4620 __swig_destroy__ = _IMP_core.delete_Centroid
4623 _IMP_core.Centroid_swigregister(Centroid)
4625 r"""Proxy of C++ IMP::core::ChecksScoreState class."""
4627 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4629 def __init__(self, *args):
4631 __init__(ChecksScoreState self, Model m, double probability) -> ChecksScoreState
4632 __init__(ChecksScoreState self) -> ChecksScoreState
4634 _IMP_core.ChecksScoreState_swiginit(self, _IMP_core.new_ChecksScoreState(*args))
4636 def get_number_of_checked(self):
4637 r"""get_number_of_checked(ChecksScoreState self) -> unsigned int"""
4638 return _IMP_core.ChecksScoreState_get_number_of_checked(self)
4640 def do_before_evaluate(self):
4641 r"""do_before_evaluate(ChecksScoreState self)"""
4642 return _IMP_core.ChecksScoreState_do_before_evaluate(self)
4644 def do_after_evaluate(self, da):
4645 r"""do_after_evaluate(ChecksScoreState self, DerivativeAccumulator da)"""
4646 return _IMP_core.ChecksScoreState_do_after_evaluate(self, da)
4648 def do_get_outputs(self):
4649 r"""do_get_outputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4650 return _IMP_core.ChecksScoreState_do_get_outputs(self)
4652 def do_get_inputs(self):
4653 r"""do_get_inputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4654 return _IMP_core.ChecksScoreState_do_get_inputs(self)
4656 def get_version_info(self):
4657 r"""get_version_info(ChecksScoreState self) -> VersionInfo"""
4658 return _IMP_core.ChecksScoreState_get_version_info(self)
4659 __swig_destroy__ = _IMP_core.delete_ChecksScoreState
4662 r"""__str__(ChecksScoreState self) -> std::string"""
4663 return _IMP_core.ChecksScoreState___str__(self)
4666 r"""__repr__(ChecksScoreState self) -> std::string"""
4667 return _IMP_core.ChecksScoreState___repr__(self)
4671 return _object_cast_to_ChecksScoreState(o)
4674 def _get_as_binary(self):
4675 r"""_get_as_binary(ChecksScoreState self) -> PyObject *"""
4676 return _IMP_core.ChecksScoreState__get_as_binary(self)
4678 def _set_from_binary(self, p):
4679 r"""_set_from_binary(ChecksScoreState self, PyObject * p)"""
4680 return _IMP_core.ChecksScoreState__set_from_binary(self, p)
4682 def __getstate__(self):
4683 p = self._get_as_binary()
4684 if len(self.__dict__) > 1:
4685 d = self.__dict__.copy()
4690 def __setstate__(self, p):
4691 if not hasattr(self,
'this'):
4693 if isinstance(p, tuple):
4695 self.__dict__.update(d)
4696 return self._set_from_binary(p)
4700 _IMP_core.ChecksScoreState_swigregister(ChecksScoreState)
4702 r"""Proxy of C++ IMP::core::ChildrenRefiner class."""
4704 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4706 def __init__(self, tr):
4707 r"""__init__(ChildrenRefiner self, HierarchyTraits tr) -> ChildrenRefiner"""
4708 _IMP_core.ChildrenRefiner_swiginit(self, _IMP_core.new_ChildrenRefiner(tr))
4710 def do_get_inputs(self, m, pis):
4711 r"""do_get_inputs(ChildrenRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4712 return _IMP_core.ChildrenRefiner_do_get_inputs(self, m, pis)
4714 def get_version_info(self):
4715 r"""get_version_info(ChildrenRefiner self) -> VersionInfo"""
4716 return _IMP_core.ChildrenRefiner_get_version_info(self)
4717 __swig_destroy__ = _IMP_core.delete_ChildrenRefiner
4720 r"""__str__(ChildrenRefiner self) -> std::string"""
4721 return _IMP_core.ChildrenRefiner___str__(self)
4724 r"""__repr__(ChildrenRefiner self) -> std::string"""
4725 return _IMP_core.ChildrenRefiner___repr__(self)
4729 return _object_cast_to_ChildrenRefiner(o)
4733 _IMP_core.ChildrenRefiner_swigregister(ChildrenRefiner)
4735 r"""Proxy of C++ IMP::core::ClosedCubicSpline class."""
4737 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4739 def __init__(self, values, minrange, spacing):
4740 r"""__init__(ClosedCubicSpline self, IMP::Floats const & values, double minrange, double spacing) -> ClosedCubicSpline"""
4741 _IMP_core.ClosedCubicSpline_swiginit(self, _IMP_core.new_ClosedCubicSpline(values, minrange, spacing))
4743 def get_version_info(self):
4744 r"""get_version_info(ClosedCubicSpline self) -> VersionInfo"""
4745 return _IMP_core.ClosedCubicSpline_get_version_info(self)
4746 __swig_destroy__ = _IMP_core.delete_ClosedCubicSpline
4748 def do_show(self, out):
4749 r"""do_show(ClosedCubicSpline self, _ostream out)"""
4750 return _IMP_core.ClosedCubicSpline_do_show(self, out)
4752 def get_minrange(self):
4753 r"""get_minrange(ClosedCubicSpline self) -> IMP::Float"""
4754 return _IMP_core.ClosedCubicSpline_get_minrange(self)
4756 def get_spacing(self):
4757 r"""get_spacing(ClosedCubicSpline self) -> IMP::Float"""
4758 return _IMP_core.ClosedCubicSpline_get_spacing(self)
4760 def get_values(self):
4761 r"""get_values(ClosedCubicSpline self) -> IMP::Floats"""
4762 return _IMP_core.ClosedCubicSpline_get_values(self)
4764 def get_second_derivatives(self):
4765 r"""get_second_derivatives(ClosedCubicSpline self) -> IMP::Floats"""
4766 return _IMP_core.ClosedCubicSpline_get_second_derivatives(self)
4769 r"""__str__(ClosedCubicSpline self) -> std::string"""
4770 return _IMP_core.ClosedCubicSpline___str__(self)
4773 r"""__repr__(ClosedCubicSpline self) -> std::string"""
4774 return _IMP_core.ClosedCubicSpline___repr__(self)
4778 return _object_cast_to_ClosedCubicSpline(o)
4782 import jax.numpy
as jnp
4783 from IMP.core._jax_util
import _spline
4784 def score(feature, minrange, spacing, values, second_derivs):
4786 lowbin = jnp.array((feature - minrange) / spacing, dtype=int)
4788 highbin = jnp.remainder(lowbin + 1, len(values))
4789 return _spline(feature, minrange, lowbin, highbin, spacing,
4790 values, second_derivs)
4791 return functools.partial(
4792 score, minrange=self.get_minrange(),
4793 spacing=self.get_spacing(), values=jnp.asarray(self.get_values()),
4794 second_derivs=jnp.asarray(self.get_second_derivatives()))
4798 _IMP_core.ClosedCubicSpline_swigregister(ClosedCubicSpline)
4800 r"""Proxy of C++ IMP::core::KClosePairsPairScore class."""
4802 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4804 def __init__(self, f, r, k=1):
4805 r"""__init__(KClosePairsPairScore self, PairScore f, Refiner r, int k=1) -> KClosePairsPairScore"""
4806 _IMP_core.KClosePairsPairScore_swiginit(self, _IMP_core.new_KClosePairsPairScore(f, r, k))
4808 def get_close_pairs(self, pp):
4809 r"""get_close_pairs(KClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
4810 return _IMP_core.KClosePairsPairScore_get_close_pairs(self, pp)
4812 def create_current_decomposition(self, m, vt):
4813 r"""create_current_decomposition(KClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
4814 return _IMP_core.KClosePairsPairScore_create_current_decomposition(self, m, vt)
4816 def do_get_inputs(self, m, pis):
4817 r"""do_get_inputs(KClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4818 return _IMP_core.KClosePairsPairScore_do_get_inputs(self, m, pis)
4820 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4821 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"""
4822 return _IMP_core.KClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4824 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4825 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"""
4826 return _IMP_core.KClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4828 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4829 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"""
4830 return _IMP_core.KClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4832 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4833 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"""
4834 return _IMP_core.KClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4836 def get_version_info(self):
4837 r"""get_version_info(KClosePairsPairScore self) -> VersionInfo"""
4838 return _IMP_core.KClosePairsPairScore_get_version_info(self)
4839 __swig_destroy__ = _IMP_core.delete_KClosePairsPairScore
4842 r"""__str__(KClosePairsPairScore self) -> std::string"""
4843 return _IMP_core.KClosePairsPairScore___str__(self)
4846 r"""__repr__(KClosePairsPairScore self) -> std::string"""
4847 return _IMP_core.KClosePairsPairScore___repr__(self)
4851 return _object_cast_to_KClosePairsPairScore(o)
4855 _IMP_core.KClosePairsPairScore_swigregister(KClosePairsPairScore)
4857 r"""Proxy of C++ IMP::core::ClosePairsPairScore class."""
4859 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4861 def __init__(self, f, r, max_distance):
4862 r"""__init__(ClosePairsPairScore self, PairScore f, Refiner r, IMP::Float max_distance) -> ClosePairsPairScore"""
4863 _IMP_core.ClosePairsPairScore_swiginit(self, _IMP_core.new_ClosePairsPairScore(f, r, max_distance))
4865 def get_close_pairs(self, pp):
4866 r"""get_close_pairs(ClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
4867 return _IMP_core.ClosePairsPairScore_get_close_pairs(self, pp)
4869 def create_current_decomposition(self, m, vt):
4870 r"""create_current_decomposition(ClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
4871 return _IMP_core.ClosePairsPairScore_create_current_decomposition(self, m, vt)
4873 def do_get_inputs(self, m, pis):
4874 r"""do_get_inputs(ClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4875 return _IMP_core.ClosePairsPairScore_do_get_inputs(self, m, pis)
4877 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4878 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"""
4879 return _IMP_core.ClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4881 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4882 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"""
4883 return _IMP_core.ClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4885 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4886 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"""
4887 return _IMP_core.ClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4889 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4890 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"""
4891 return _IMP_core.ClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4893 def get_version_info(self):
4894 r"""get_version_info(ClosePairsPairScore self) -> VersionInfo"""
4895 return _IMP_core.ClosePairsPairScore_get_version_info(self)
4896 __swig_destroy__ = _IMP_core.delete_ClosePairsPairScore
4899 r"""__str__(ClosePairsPairScore self) -> std::string"""
4900 return _IMP_core.ClosePairsPairScore___str__(self)
4903 r"""__repr__(ClosePairsPairScore self) -> std::string"""
4904 return _IMP_core.ClosePairsPairScore___repr__(self)
4908 return _object_cast_to_ClosePairsPairScore(o)
4912 _IMP_core.ClosePairsPairScore_swigregister(ClosePairsPairScore)
4914 r"""Proxy of C++ IMP::core::ConjugateGradients class."""
4916 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4918 def __init__(self, *args):
4920 __init__(ConjugateGradients self, Model m, std::string name="ConjugateGradients%1%") -> ConjugateGradients
4921 __init__(ConjugateGradients self) -> ConjugateGradients
4923 _IMP_core.ConjugateGradients_swiginit(self, _IMP_core.new_ConjugateGradients(*args))
4925 def set_gradient_threshold(self, t):
4926 r"""set_gradient_threshold(ConjugateGradients self, IMP::Float t)"""
4927 return _IMP_core.ConjugateGradients_set_gradient_threshold(self, t)
4929 def set_max_change(self, t):
4930 r"""set_max_change(ConjugateGradients self, IMP::Float t)"""
4931 return _IMP_core.ConjugateGradients_set_max_change(self, t)
4933 def do_optimize(self, max_steps):
4934 r"""do_optimize(ConjugateGradients self, unsigned int max_steps) -> IMP::Float"""
4935 return _IMP_core.ConjugateGradients_do_optimize(self, max_steps)
4937 def get_version_info(self):
4938 r"""get_version_info(ConjugateGradients self) -> VersionInfo"""
4939 return _IMP_core.ConjugateGradients_get_version_info(self)
4940 __swig_destroy__ = _IMP_core.delete_ConjugateGradients
4943 r"""__str__(ConjugateGradients self) -> std::string"""
4944 return _IMP_core.ConjugateGradients___str__(self)
4947 r"""__repr__(ConjugateGradients self) -> std::string"""
4948 return _IMP_core.ConjugateGradients___repr__(self)
4952 return _object_cast_to_ConjugateGradients(o)
4955 def _get_as_binary(self):
4956 r"""_get_as_binary(ConjugateGradients self) -> PyObject *"""
4957 return _IMP_core.ConjugateGradients__get_as_binary(self)
4959 def _set_from_binary(self, p):
4960 r"""_set_from_binary(ConjugateGradients self, PyObject * p)"""
4961 return _IMP_core.ConjugateGradients__set_from_binary(self, p)
4963 def __getstate__(self):
4964 p = self._get_as_binary()
4965 if len(self.__dict__) > 1:
4966 d = self.__dict__.copy()
4971 def __setstate__(self, p):
4972 if not hasattr(self,
'this'):
4974 if isinstance(p, tuple):
4976 self.__dict__.update(d)
4977 return self._set_from_binary(p)
4981 _IMP_core.ConjugateGradients_swigregister(ConjugateGradients)
4983 r"""Proxy of C++ IMP::core::ConnectivityRestraint class."""
4985 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4987 def __init__(self, ps, sc):
4988 r"""__init__(ConnectivityRestraint self, PairScore ps, _SingletonContainerAdaptor sc) -> ConnectivityRestraint"""
4989 _IMP_core.ConnectivityRestraint_swiginit(self, _IMP_core.new_ConnectivityRestraint(ps, sc))
4991 def get_connected_index_pairs(self):
4992 r"""get_connected_index_pairs(ConnectivityRestraint self) -> IMP::ParticleIndexPairs"""
4993 return _IMP_core.ConnectivityRestraint_get_connected_index_pairs(self)
4995 def get_pair_score(self):
4996 r"""get_pair_score(ConnectivityRestraint self) -> PairScore"""
4997 return _IMP_core.ConnectivityRestraint_get_pair_score(self)
4999 def do_create_current_decomposition(self):
5000 r"""do_create_current_decomposition(ConnectivityRestraint self) -> IMP::Restraints"""
5001 return _IMP_core.ConnectivityRestraint_do_create_current_decomposition(self)
5003 def do_get_inputs(self):
5004 r"""do_get_inputs(ConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
5005 return _IMP_core.ConnectivityRestraint_do_get_inputs(self)
5007 def get_version_info(self):
5008 r"""get_version_info(ConnectivityRestraint self) -> VersionInfo"""
5009 return _IMP_core.ConnectivityRestraint_get_version_info(self)
5010 __swig_destroy__ = _IMP_core.delete_ConnectivityRestraint
5013 r"""__str__(ConnectivityRestraint self) -> std::string"""
5014 return _IMP_core.ConnectivityRestraint___str__(self)
5017 r"""__repr__(ConnectivityRestraint self) -> std::string"""
5018 return _IMP_core.ConnectivityRestraint___repr__(self)
5022 return _object_cast_to_ConnectivityRestraint(o)
5026 _IMP_core.ConnectivityRestraint_swigregister(ConnectivityRestraint)
5028 r"""Proxy of C++ IMP::core::ConstantRestraint class."""
5030 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5032 def __init__(self, *args):
5034 __init__(ConstantRestraint self, Model m, IMP::Float v) -> ConstantRestraint
5035 __init__(ConstantRestraint self) -> ConstantRestraint
5037 _IMP_core.ConstantRestraint_swiginit(self, _IMP_core.new_ConstantRestraint(*args))
5039 def do_get_inputs(self):
5040 r"""do_get_inputs(ConstantRestraint self) -> IMP::ModelObjectsTemp"""
5041 return _IMP_core.ConstantRestraint_do_get_inputs(self)
5043 def get_version_info(self):
5044 r"""get_version_info(ConstantRestraint self) -> VersionInfo"""
5045 return _IMP_core.ConstantRestraint_get_version_info(self)
5046 __swig_destroy__ = _IMP_core.delete_ConstantRestraint
5049 r"""__str__(ConstantRestraint self) -> std::string"""
5050 return _IMP_core.ConstantRestraint___str__(self)
5053 r"""__repr__(ConstantRestraint self) -> std::string"""
5054 return _IMP_core.ConstantRestraint___repr__(self)
5058 return _object_cast_to_ConstantRestraint(o)
5061 def _get_as_binary(self):
5062 r"""_get_as_binary(ConstantRestraint self) -> PyObject *"""
5063 return _IMP_core.ConstantRestraint__get_as_binary(self)
5065 def _set_from_binary(self, p):
5066 r"""_set_from_binary(ConstantRestraint self, PyObject * p)"""
5067 return _IMP_core.ConstantRestraint__set_from_binary(self, p)
5069 def __getstate__(self):
5070 p = self._get_as_binary()
5071 if len(self.__dict__) > 1:
5072 d = self.__dict__.copy()
5077 def __setstate__(self, p):
5078 if not hasattr(self,
'this'):
5080 if isinstance(p, tuple):
5082 self.__dict__.update(d)
5083 return self._set_from_binary(p)
5087 _IMP_core.ConstantRestraint_swigregister(ConstantRestraint)
5089 r"""Proxy of C++ IMP::core::Cosine class."""
5091 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5093 def __init__(self, *args):
5095 __init__(Cosine self, IMP::Float force_constant, int periodicity, IMP::Float phase) -> Cosine
5096 __init__(Cosine self) -> Cosine
5098 _IMP_core.Cosine_swiginit(self, _IMP_core.new_Cosine(*args))
5100 def get_force_constant(self):
5101 r"""get_force_constant(Cosine self) -> IMP::Float"""
5102 return _IMP_core.Cosine_get_force_constant(self)
5104 def get_periodicity(self):
5105 r"""get_periodicity(Cosine self) -> int"""
5106 return _IMP_core.Cosine_get_periodicity(self)
5108 def get_phase(self):
5109 r"""get_phase(Cosine self) -> IMP::Float"""
5110 return _IMP_core.Cosine_get_phase(self)
5112 def get_version_info(self):
5113 r"""get_version_info(Cosine self) -> VersionInfo"""
5114 return _IMP_core.Cosine_get_version_info(self)
5115 __swig_destroy__ = _IMP_core.delete_Cosine
5117 def do_show(self, out):
5118 r"""do_show(Cosine self, _ostream out)"""
5119 return _IMP_core.Cosine_do_show(self, out)
5122 r"""__str__(Cosine self) -> std::string"""
5123 return _IMP_core.Cosine___str__(self)
5126 r"""__repr__(Cosine self) -> std::string"""
5127 return _IMP_core.Cosine___repr__(self)
5131 return _object_cast_to_Cosine(o)
5134 def _get_as_binary(self):
5135 r"""_get_as_binary(Cosine self) -> PyObject *"""
5136 return _IMP_core.Cosine__get_as_binary(self)
5138 def _set_from_binary(self, p):
5139 r"""_set_from_binary(Cosine self, PyObject * p)"""
5140 return _IMP_core.Cosine__set_from_binary(self, p)
5142 def __getstate__(self):
5143 p = self._get_as_binary()
5144 if len(self.__dict__) > 1:
5145 d = self.__dict__.copy()
5150 def __setstate__(self, p):
5151 if not hasattr(self,
'this'):
5153 if isinstance(p, tuple):
5155 self.__dict__.update(d)
5156 return self._set_from_binary(p)
5160 import jax.numpy
as jnp
5161 def score(val, k, period, phase):
5162 return jnp.abs(k) - k * jnp.cos(period * val + phase)
5163 return functools.partial(score, k=self.get_force_constant(),
5164 period=self.get_periodicity(),
5165 phase=self.get_phase())
5169 _IMP_core.Cosine_swigregister(Cosine)
5171 r"""Proxy of C++ IMP::core::CoverRefined class."""
5173 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5175 def __init__(self, ref, slack=0):
5176 r"""__init__(CoverRefined self, Refiner ref, IMP::Float slack=0) -> CoverRefined"""
5177 _IMP_core.CoverRefined_swiginit(self, _IMP_core.new_CoverRefined(ref, slack))
5179 def set_slack(self, slack):
5180 r"""set_slack(CoverRefined self, IMP::Float slack)"""
5181 return _IMP_core.CoverRefined_set_slack(self, slack)
5183 def do_get_inputs(self, m, pis):
5184 r"""do_get_inputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5185 return _IMP_core.CoverRefined_do_get_inputs(self, m, pis)
5187 def do_get_outputs(self, m, pis):
5188 r"""do_get_outputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5189 return _IMP_core.CoverRefined_do_get_outputs(self, m, pis)
5191 def get_version_info(self):
5192 r"""get_version_info(CoverRefined self) -> VersionInfo"""
5193 return _IMP_core.CoverRefined_get_version_info(self)
5194 __swig_destroy__ = _IMP_core.delete_CoverRefined
5197 r"""__str__(CoverRefined self) -> std::string"""
5198 return _IMP_core.CoverRefined___str__(self)
5201 r"""__repr__(CoverRefined self) -> std::string"""
5202 return _IMP_core.CoverRefined___repr__(self)
5206 return _object_cast_to_CoverRefined(o)
5210 _IMP_core.CoverRefined_swigregister(CoverRefined)
5212 r"""Proxy of C++ IMP::core::Cover class."""
5214 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5216 def get_constraint(self):
5217 r"""get_constraint(Cover self) -> Constraint"""
5218 return _IMP_core.Cover_get_constraint(self)
5220 def __init__(self, *args):
5222 __init__(Cover self) -> Cover
5223 __init__(Cover self, Model m, ParticleIndex id) -> Cover
5224 __init__(Cover self, _ParticleAdaptor d) -> Cover
5226 _IMP_core.Cover_swiginit(self, _IMP_core.new_Cover(*args))
5228 def show(self, *args):
5229 r"""show(Cover self, _ostream out=std::cout)"""
5230 return _IMP_core.Cover_show(self, *args)
5233 def setup_particle(*args):
5235 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Cover
5236 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Cover
5237 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Cover
5238 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Cover
5240 return _IMP_core.Cover_setup_particle(*args)
5243 def get_is_setup(*args):
5245 get_is_setup(_ParticleAdaptor p) -> bool
5246 get_is_setup(Model m, ParticleIndex pi) -> bool
5248 return _IMP_core.Cover_get_is_setup(*args)
5250 def add_attribute(self, *args):
5252 add_attribute(Cover self, FloatKey k, IMP::Float v, bool opt)
5253 add_attribute(Cover self, FloatKey a0, IMP::Float a1)
5254 add_attribute(Cover self, IntKey a0, IMP::Int a1)
5255 add_attribute(Cover self, FloatsKey a0, IMP::Floats a1)
5256 add_attribute(Cover self, IntsKey a0, IMP::Ints a1)
5257 add_attribute(Cover self, StringKey a0, IMP::String a1)
5258 add_attribute(Cover self, ParticleIndexKey a0, Particle a1)
5259 add_attribute(Cover self, ObjectKey a0, Object a1)
5260 add_attribute(Cover self, SparseFloatKey a0, IMP::Float a1)
5261 add_attribute(Cover self, SparseIntKey a0, IMP::Int a1)
5262 add_attribute(Cover self, SparseStringKey a0, IMP::String a1)
5263 add_attribute(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5265 return _IMP_core.Cover_add_attribute(self, *args)
5267 def get_value(self, *args):
5269 get_value(Cover self, FloatKey a0) -> IMP::Float
5270 get_value(Cover self, IntKey a0) -> IMP::Int
5271 get_value(Cover self, FloatsKey a0) -> IMP::Floats
5272 get_value(Cover self, IntsKey a0) -> IMP::Ints
5273 get_value(Cover self, StringKey a0) -> IMP::String
5274 get_value(Cover self, ParticleIndexKey a0) -> Particle
5275 get_value(Cover self, ObjectKey a0) -> Object
5276 get_value(Cover self, SparseFloatKey a0) -> IMP::Float
5277 get_value(Cover self, SparseIntKey a0) -> IMP::Int
5278 get_value(Cover self, SparseStringKey a0) -> IMP::String
5279 get_value(Cover self, SparseParticleIndexKey a0) -> ParticleIndex
5281 return _IMP_core.Cover_get_value(self, *args)
5283 def set_value(self, *args):
5285 set_value(Cover self, FloatKey a0, IMP::Float a1)
5286 set_value(Cover self, IntKey a0, IMP::Int a1)
5287 set_value(Cover self, FloatsKey a0, IMP::Floats a1)
5288 set_value(Cover self, IntsKey a0, IMP::Ints a1)
5289 set_value(Cover self, StringKey a0, IMP::String a1)
5290 set_value(Cover self, ParticleIndexKey a0, Particle a1)
5291 set_value(Cover self, ObjectKey a0, Object a1)
5292 set_value(Cover self, SparseFloatKey a0, IMP::Float a1)
5293 set_value(Cover self, SparseIntKey a0, IMP::Int a1)
5294 set_value(Cover self, SparseStringKey a0, IMP::String a1)
5295 set_value(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5297 return _IMP_core.Cover_set_value(self, *args)
5299 def remove_attribute(self, *args):
5301 remove_attribute(Cover self, FloatKey a0)
5302 remove_attribute(Cover self, IntKey a0)
5303 remove_attribute(Cover self, FloatsKey a0)
5304 remove_attribute(Cover self, IntsKey a0)
5305 remove_attribute(Cover self, StringKey a0)
5306 remove_attribute(Cover self, ParticleIndexKey a0)
5307 remove_attribute(Cover self, ObjectKey a0)
5308 remove_attribute(Cover self, SparseFloatKey a0)
5309 remove_attribute(Cover self, SparseIntKey a0)
5310 remove_attribute(Cover self, SparseStringKey a0)
5311 remove_attribute(Cover self, SparseParticleIndexKey a0)
5313 return _IMP_core.Cover_remove_attribute(self, *args)
5315 def has_attribute(self, *args):
5317 has_attribute(Cover self, FloatKey a0) -> bool
5318 has_attribute(Cover self, IntKey a0) -> bool
5319 has_attribute(Cover self, FloatsKey a0) -> bool
5320 has_attribute(Cover self, IntsKey a0) -> bool
5321 has_attribute(Cover self, StringKey a0) -> bool
5322 has_attribute(Cover self, ParticleIndexKey a0) -> bool
5323 has_attribute(Cover self, ObjectKey a0) -> bool
5324 has_attribute(Cover self, SparseFloatKey a0) -> bool
5325 has_attribute(Cover self, SparseIntKey a0) -> bool
5326 has_attribute(Cover self, SparseStringKey a0) -> bool
5327 has_attribute(Cover self, SparseParticleIndexKey a0) -> bool
5329 return _IMP_core.Cover_has_attribute(self, *args)
5331 def get_derivative(self, a0):
5332 r"""get_derivative(Cover self, FloatKey a0) -> double"""
5333 return _IMP_core.Cover_get_derivative(self, a0)
5336 r"""get_name(Cover self) -> std::string"""
5337 return _IMP_core.Cover_get_name(self)
5339 def clear_caches(self):
5340 r"""clear_caches(Cover self)"""
5341 return _IMP_core.Cover_clear_caches(self)
5343 def set_name(self, a0):
5344 r"""set_name(Cover self, std::string a0)"""
5345 return _IMP_core.Cover_set_name(self, a0)
5348 r"""set_check_level(Cover self, IMP::CheckLevel a0)"""
5349 return _IMP_core.Cover_set_check_level(self, a0)
5351 def add_to_derivative(self, a0, a1, a2):
5352 r"""add_to_derivative(Cover self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5353 return _IMP_core.Cover_add_to_derivative(self, a0, a1, a2)
5355 def set_is_optimized(self, a0, a1):
5356 r"""set_is_optimized(Cover self, FloatKey a0, bool a1)"""
5357 return _IMP_core.Cover_set_is_optimized(self, a0, a1)
5359 def get_is_optimized(self, a0):
5360 r"""get_is_optimized(Cover self, FloatKey a0) -> bool"""
5361 return _IMP_core.Cover_get_is_optimized(self, a0)
5364 r"""get_check_level(Cover self) -> IMP::CheckLevel"""
5365 return _IMP_core.Cover_get_check_level(self)
5367 def __eq__(self, *args):
5369 __eq__(Cover self, Cover o) -> bool
5370 __eq__(Cover self, Particle d) -> bool
5372 return _IMP_core.Cover___eq__(self, *args)
5374 def __ne__(self, *args):
5376 __ne__(Cover self, Cover o) -> bool
5377 __ne__(Cover self, Particle d) -> bool
5379 return _IMP_core.Cover___ne__(self, *args)
5381 def __le__(self, *args):
5383 __le__(Cover self, Cover o) -> bool
5384 __le__(Cover self, Particle d) -> bool
5386 return _IMP_core.Cover___le__(self, *args)
5388 def __lt__(self, *args):
5390 __lt__(Cover self, Cover o) -> bool
5391 __lt__(Cover self, Particle d) -> bool
5393 return _IMP_core.Cover___lt__(self, *args)
5395 def __ge__(self, *args):
5397 __ge__(Cover self, Cover o) -> bool
5398 __ge__(Cover self, Particle d) -> bool
5400 return _IMP_core.Cover___ge__(self, *args)
5402 def __gt__(self, *args):
5404 __gt__(Cover self, Cover o) -> bool
5405 __gt__(Cover self, Particle d) -> bool
5407 return _IMP_core.Cover___gt__(self, *args)
5410 r"""__hash__(Cover self) -> std::size_t"""
5411 return _IMP_core.Cover___hash__(self)
5414 r"""__str__(Cover self) -> std::string"""
5415 return _IMP_core.Cover___str__(self)
5418 r"""__repr__(Cover self) -> std::string"""
5419 return _IMP_core.Cover___repr__(self)
5421 def _get_as_binary(self):
5422 r"""_get_as_binary(Cover self) -> PyObject *"""
5423 return _IMP_core.Cover__get_as_binary(self)
5425 def _set_from_binary(self, p):
5426 r"""_set_from_binary(Cover self, PyObject * p)"""
5427 return _IMP_core.Cover__set_from_binary(self, p)
5429 def __getstate__(self):
5430 p = self._get_as_binary()
5431 if len(self.__dict__) > 1:
5432 d = self.__dict__.copy()
5437 def __setstate__(self, p):
5438 if not hasattr(self,
'this'):
5440 if isinstance(p, tuple):
5442 self.__dict__.update(d)
5443 return self._set_from_binary(p)
5445 __swig_destroy__ = _IMP_core.delete_Cover
5448 _IMP_core.Cover_swigregister(Cover)
5450 r"""Proxy of C++ IMP::core::DerivativesFromRefined class."""
5452 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5454 def __init__(self, *args):
5455 r"""__init__(DerivativesFromRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesFromRefined"""
5456 _IMP_core.DerivativesFromRefined_swiginit(self, _IMP_core.new_DerivativesFromRefined(*args))
5458 def do_get_inputs(self, m, pis):
5459 r"""do_get_inputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5460 return _IMP_core.DerivativesFromRefined_do_get_inputs(self, m, pis)
5462 def do_get_outputs(self, m, pis):
5463 r"""do_get_outputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5464 return _IMP_core.DerivativesFromRefined_do_get_outputs(self, m, pis)
5466 def get_version_info(self):
5467 r"""get_version_info(DerivativesFromRefined self) -> VersionInfo"""
5468 return _IMP_core.DerivativesFromRefined_get_version_info(self)
5469 __swig_destroy__ = _IMP_core.delete_DerivativesFromRefined
5472 r"""__str__(DerivativesFromRefined self) -> std::string"""
5473 return _IMP_core.DerivativesFromRefined___str__(self)
5476 r"""__repr__(DerivativesFromRefined self) -> std::string"""
5477 return _IMP_core.DerivativesFromRefined___repr__(self)
5481 return _object_cast_to_DerivativesFromRefined(o)
5485 _IMP_core.DerivativesFromRefined_swigregister(DerivativesFromRefined)
5487 r"""Proxy of C++ IMP::core::DerivativesToRefined class."""
5489 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5491 def __init__(self, *args):
5492 r"""__init__(DerivativesToRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesToRefined"""
5493 _IMP_core.DerivativesToRefined_swiginit(self, _IMP_core.new_DerivativesToRefined(*args))
5495 def do_get_inputs(self, m, pis):
5496 r"""do_get_inputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5497 return _IMP_core.DerivativesToRefined_do_get_inputs(self, m, pis)
5499 def do_get_outputs(self, m, pis):
5500 r"""do_get_outputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5501 return _IMP_core.DerivativesToRefined_do_get_outputs(self, m, pis)
5503 def get_version_info(self):
5504 r"""get_version_info(DerivativesToRefined self) -> VersionInfo"""
5505 return _IMP_core.DerivativesToRefined_get_version_info(self)
5506 __swig_destroy__ = _IMP_core.delete_DerivativesToRefined
5509 r"""__str__(DerivativesToRefined self) -> std::string"""
5510 return _IMP_core.DerivativesToRefined___str__(self)
5513 r"""__repr__(DerivativesToRefined self) -> std::string"""
5514 return _IMP_core.DerivativesToRefined___repr__(self)
5518 return _object_cast_to_DerivativesToRefined(o)
5522 _IMP_core.DerivativesToRefined_swigregister(DerivativesToRefined)
5524 r"""Proxy of C++ IMP::core::DiameterRestraint class."""
5526 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5528 def __init__(self, f, sc, diameter):
5529 r"""__init__(DiameterRestraint self, UnaryFunction f, SingletonContainer sc, IMP::Float diameter) -> DiameterRestraint"""
5530 _IMP_core.DiameterRestraint_swiginit(self, _IMP_core.new_DiameterRestraint(f, sc, diameter))
5532 def do_get_inputs(self):
5533 r"""do_get_inputs(DiameterRestraint self) -> IMP::ModelObjectsTemp"""
5534 return _IMP_core.DiameterRestraint_do_get_inputs(self)
5536 def get_version_info(self):
5537 r"""get_version_info(DiameterRestraint self) -> VersionInfo"""
5538 return _IMP_core.DiameterRestraint_get_version_info(self)
5539 __swig_destroy__ = _IMP_core.delete_DiameterRestraint
5541 def do_create_decomposition(self):
5542 r"""do_create_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5543 return _IMP_core.DiameterRestraint_do_create_decomposition(self)
5545 def do_create_current_decomposition(self):
5546 r"""do_create_current_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5547 return _IMP_core.DiameterRestraint_do_create_current_decomposition(self)
5550 r"""__str__(DiameterRestraint self) -> std::string"""
5551 return _IMP_core.DiameterRestraint___str__(self)
5554 r"""__repr__(DiameterRestraint self) -> std::string"""
5555 return _IMP_core.DiameterRestraint___repr__(self)
5559 return _object_cast_to_DiameterRestraint(o)
5563 _IMP_core.DiameterRestraint_swigregister(DiameterRestraint)
5565 r"""Proxy of C++ IMP::core::Transform class."""
5567 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5569 def __init__(self, *args):
5571 __init__(Transform self, Transformation3D t, bool ignore_non_xyz=False) -> Transform
5572 __init__(Transform self) -> Transform
5574 _IMP_core.Transform_swiginit(self, _IMP_core.new_Transform(*args))
5576 def do_get_inputs(self, m, pis):
5577 r"""do_get_inputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5578 return _IMP_core.Transform_do_get_inputs(self, m, pis)
5580 def do_get_outputs(self, m, pis):
5581 r"""do_get_outputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5582 return _IMP_core.Transform_do_get_outputs(self, m, pis)
5584 def get_version_info(self):
5585 r"""get_version_info(Transform self) -> VersionInfo"""
5586 return _IMP_core.Transform_get_version_info(self)
5587 __swig_destroy__ = _IMP_core.delete_Transform
5590 r"""__str__(Transform self) -> std::string"""
5591 return _IMP_core.Transform___str__(self)
5594 r"""__repr__(Transform self) -> std::string"""
5595 return _IMP_core.Transform___repr__(self)
5599 return _object_cast_to_Transform(o)
5602 def _get_as_binary(self):
5603 r"""_get_as_binary(Transform self) -> PyObject *"""
5604 return _IMP_core.Transform__get_as_binary(self)
5606 def _set_from_binary(self, p):
5607 r"""_set_from_binary(Transform self, PyObject * p)"""
5608 return _IMP_core.Transform__set_from_binary(self, p)
5610 def __getstate__(self):
5611 p = self._get_as_binary()
5612 if len(self.__dict__) > 1:
5613 d = self.__dict__.copy()
5618 def __setstate__(self, p):
5619 if not hasattr(self,
'this'):
5621 if isinstance(p, tuple):
5623 self.__dict__.update(d)
5624 return self._set_from_binary(p)
5628 _IMP_core.Transform_swigregister(Transform)
5630 r"""Proxy of C++ IMP::core::Reference class."""
5632 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5634 def __init__(self, *args):
5636 __init__(Reference self) -> Reference
5637 __init__(Reference self, Model m, ParticleIndex id) -> Reference
5638 __init__(Reference self, _ParticleAdaptor d) -> Reference
5640 _IMP_core.Reference_swiginit(self, _IMP_core.new_Reference(*args))
5642 def show(self, *args):
5643 r"""show(Reference self, _ostream out=std::cout)"""
5644 return _IMP_core.Reference_show(self, *args)
5647 def setup_particle(*args):
5649 setup_particle(Model m, ParticleIndex pi, _ParticleIndexAdaptor reference) -> Reference
5650 setup_particle(_ParticleAdaptor pa, _ParticleIndexAdaptor reference) -> Reference
5652 return _IMP_core.Reference_setup_particle(*args)
5654 def get_reference_particle(self):
5655 r"""get_reference_particle(Reference self) -> Particle"""
5656 return _IMP_core.Reference_get_reference_particle(self)
5659 def get_is_setup(*args):
5661 get_is_setup(_ParticleAdaptor p) -> bool
5662 get_is_setup(Model m, ParticleIndex pi) -> bool
5664 return _IMP_core.Reference_get_is_setup(*args)
5667 def get_reference_key():
5668 r"""get_reference_key() -> ParticleIndexKey"""
5669 return _IMP_core.Reference_get_reference_key()
5671 def add_attribute(self, *args):
5673 add_attribute(Reference self, FloatKey k, IMP::Float v, bool opt)
5674 add_attribute(Reference self, FloatKey a0, IMP::Float a1)
5675 add_attribute(Reference self, IntKey a0, IMP::Int a1)
5676 add_attribute(Reference self, FloatsKey a0, IMP::Floats a1)
5677 add_attribute(Reference self, IntsKey a0, IMP::Ints a1)
5678 add_attribute(Reference self, StringKey a0, IMP::String a1)
5679 add_attribute(Reference self, ParticleIndexKey a0, Particle a1)
5680 add_attribute(Reference self, ObjectKey a0, Object a1)
5681 add_attribute(Reference self, SparseFloatKey a0, IMP::Float a1)
5682 add_attribute(Reference self, SparseIntKey a0, IMP::Int a1)
5683 add_attribute(Reference self, SparseStringKey a0, IMP::String a1)
5684 add_attribute(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5686 return _IMP_core.Reference_add_attribute(self, *args)
5688 def get_value(self, *args):
5690 get_value(Reference self, FloatKey a0) -> IMP::Float
5691 get_value(Reference self, IntKey a0) -> IMP::Int
5692 get_value(Reference self, FloatsKey a0) -> IMP::Floats
5693 get_value(Reference self, IntsKey a0) -> IMP::Ints
5694 get_value(Reference self, StringKey a0) -> IMP::String
5695 get_value(Reference self, ParticleIndexKey a0) -> Particle
5696 get_value(Reference self, ObjectKey a0) -> Object
5697 get_value(Reference self, SparseFloatKey a0) -> IMP::Float
5698 get_value(Reference self, SparseIntKey a0) -> IMP::Int
5699 get_value(Reference self, SparseStringKey a0) -> IMP::String
5700 get_value(Reference self, SparseParticleIndexKey a0) -> ParticleIndex
5702 return _IMP_core.Reference_get_value(self, *args)
5704 def set_value(self, *args):
5706 set_value(Reference self, FloatKey a0, IMP::Float a1)
5707 set_value(Reference self, IntKey a0, IMP::Int a1)
5708 set_value(Reference self, FloatsKey a0, IMP::Floats a1)
5709 set_value(Reference self, IntsKey a0, IMP::Ints a1)
5710 set_value(Reference self, StringKey a0, IMP::String a1)
5711 set_value(Reference self, ParticleIndexKey a0, Particle a1)
5712 set_value(Reference self, ObjectKey a0, Object a1)
5713 set_value(Reference self, SparseFloatKey a0, IMP::Float a1)
5714 set_value(Reference self, SparseIntKey a0, IMP::Int a1)
5715 set_value(Reference self, SparseStringKey a0, IMP::String a1)
5716 set_value(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5718 return _IMP_core.Reference_set_value(self, *args)
5720 def remove_attribute(self, *args):
5722 remove_attribute(Reference self, FloatKey a0)
5723 remove_attribute(Reference self, IntKey a0)
5724 remove_attribute(Reference self, FloatsKey a0)
5725 remove_attribute(Reference self, IntsKey a0)
5726 remove_attribute(Reference self, StringKey a0)
5727 remove_attribute(Reference self, ParticleIndexKey a0)
5728 remove_attribute(Reference self, ObjectKey a0)
5729 remove_attribute(Reference self, SparseFloatKey a0)
5730 remove_attribute(Reference self, SparseIntKey a0)
5731 remove_attribute(Reference self, SparseStringKey a0)
5732 remove_attribute(Reference self, SparseParticleIndexKey a0)
5734 return _IMP_core.Reference_remove_attribute(self, *args)
5736 def has_attribute(self, *args):
5738 has_attribute(Reference self, FloatKey a0) -> bool
5739 has_attribute(Reference self, IntKey a0) -> bool
5740 has_attribute(Reference self, FloatsKey a0) -> bool
5741 has_attribute(Reference self, IntsKey a0) -> bool
5742 has_attribute(Reference self, StringKey a0) -> bool
5743 has_attribute(Reference self, ParticleIndexKey a0) -> bool
5744 has_attribute(Reference self, ObjectKey a0) -> bool
5745 has_attribute(Reference self, SparseFloatKey a0) -> bool
5746 has_attribute(Reference self, SparseIntKey a0) -> bool
5747 has_attribute(Reference self, SparseStringKey a0) -> bool
5748 has_attribute(Reference self, SparseParticleIndexKey a0) -> bool
5750 return _IMP_core.Reference_has_attribute(self, *args)
5752 def get_derivative(self, a0):
5753 r"""get_derivative(Reference self, FloatKey a0) -> double"""
5754 return _IMP_core.Reference_get_derivative(self, a0)
5757 r"""get_name(Reference self) -> std::string"""
5758 return _IMP_core.Reference_get_name(self)
5760 def clear_caches(self):
5761 r"""clear_caches(Reference self)"""
5762 return _IMP_core.Reference_clear_caches(self)
5764 def set_name(self, a0):
5765 r"""set_name(Reference self, std::string a0)"""
5766 return _IMP_core.Reference_set_name(self, a0)
5769 r"""set_check_level(Reference self, IMP::CheckLevel a0)"""
5770 return _IMP_core.Reference_set_check_level(self, a0)
5772 def add_to_derivative(self, a0, a1, a2):
5773 r"""add_to_derivative(Reference self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5774 return _IMP_core.Reference_add_to_derivative(self, a0, a1, a2)
5776 def set_is_optimized(self, a0, a1):
5777 r"""set_is_optimized(Reference self, FloatKey a0, bool a1)"""
5778 return _IMP_core.Reference_set_is_optimized(self, a0, a1)
5780 def get_is_optimized(self, a0):
5781 r"""get_is_optimized(Reference self, FloatKey a0) -> bool"""
5782 return _IMP_core.Reference_get_is_optimized(self, a0)
5785 r"""get_check_level(Reference self) -> IMP::CheckLevel"""
5786 return _IMP_core.Reference_get_check_level(self)
5788 def __eq__(self, *args):
5790 __eq__(Reference self, Reference o) -> bool
5791 __eq__(Reference self, Particle d) -> bool
5793 return _IMP_core.Reference___eq__(self, *args)
5795 def __ne__(self, *args):
5797 __ne__(Reference self, Reference o) -> bool
5798 __ne__(Reference self, Particle d) -> bool
5800 return _IMP_core.Reference___ne__(self, *args)
5802 def __le__(self, *args):
5804 __le__(Reference self, Reference o) -> bool
5805 __le__(Reference self, Particle d) -> bool
5807 return _IMP_core.Reference___le__(self, *args)
5809 def __lt__(self, *args):
5811 __lt__(Reference self, Reference o) -> bool
5812 __lt__(Reference self, Particle d) -> bool
5814 return _IMP_core.Reference___lt__(self, *args)
5816 def __ge__(self, *args):
5818 __ge__(Reference self, Reference o) -> bool
5819 __ge__(Reference self, Particle d) -> bool
5821 return _IMP_core.Reference___ge__(self, *args)
5823 def __gt__(self, *args):
5825 __gt__(Reference self, Reference o) -> bool
5826 __gt__(Reference self, Particle d) -> bool
5828 return _IMP_core.Reference___gt__(self, *args)
5831 r"""__hash__(Reference self) -> std::size_t"""
5832 return _IMP_core.Reference___hash__(self)
5835 r"""__str__(Reference self) -> std::string"""
5836 return _IMP_core.Reference___str__(self)
5839 r"""__repr__(Reference self) -> std::string"""
5840 return _IMP_core.Reference___repr__(self)
5842 def _get_as_binary(self):
5843 r"""_get_as_binary(Reference self) -> PyObject *"""
5844 return _IMP_core.Reference__get_as_binary(self)
5846 def _set_from_binary(self, p):
5847 r"""_set_from_binary(Reference self, PyObject * p)"""
5848 return _IMP_core.Reference__set_from_binary(self, p)
5850 def __getstate__(self):
5851 p = self._get_as_binary()
5852 if len(self.__dict__) > 1:
5853 d = self.__dict__.copy()
5858 def __setstate__(self, p):
5859 if not hasattr(self,
'this'):
5861 if isinstance(p, tuple):
5863 self.__dict__.update(d)
5864 return self._set_from_binary(p)
5866 __swig_destroy__ = _IMP_core.delete_Reference
5869 _IMP_core.Reference_swigregister(Reference)
5871 r"""Proxy of C++ IMP::core::TransformationAndReflectionSymmetry class."""
5873 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5875 def __init__(self, t, r):
5876 r"""__init__(TransformationAndReflectionSymmetry self, Transformation3D t, Reflection3D r) -> TransformationAndReflectionSymmetry"""
5877 _IMP_core.TransformationAndReflectionSymmetry_swiginit(self, _IMP_core.new_TransformationAndReflectionSymmetry(t, r))
5879 def do_get_inputs(self, m, pis):
5880 r"""do_get_inputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5881 return _IMP_core.TransformationAndReflectionSymmetry_do_get_inputs(self, m, pis)
5883 def do_get_outputs(self, m, pis):
5884 r"""do_get_outputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5885 return _IMP_core.TransformationAndReflectionSymmetry_do_get_outputs(self, m, pis)
5887 def get_version_info(self):
5888 r"""get_version_info(TransformationAndReflectionSymmetry self) -> VersionInfo"""
5889 return _IMP_core.TransformationAndReflectionSymmetry_get_version_info(self)
5890 __swig_destroy__ = _IMP_core.delete_TransformationAndReflectionSymmetry
5893 r"""__str__(TransformationAndReflectionSymmetry self) -> std::string"""
5894 return _IMP_core.TransformationAndReflectionSymmetry___str__(self)
5897 r"""__repr__(TransformationAndReflectionSymmetry self) -> std::string"""
5898 return _IMP_core.TransformationAndReflectionSymmetry___repr__(self)
5902 return _object_cast_to_TransformationAndReflectionSymmetry(o)
5906 _IMP_core.TransformationAndReflectionSymmetry_swigregister(TransformationAndReflectionSymmetry)
5908 r"""Proxy of C++ IMP::core::TransformationSymmetry class."""
5910 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5912 def __init__(self, *args):
5914 __init__(TransformationSymmetry self, Transformation3D t) -> TransformationSymmetry
5915 __init__(TransformationSymmetry self, ParticleIndex rb_pi) -> TransformationSymmetry
5917 _IMP_core.TransformationSymmetry_swiginit(self, _IMP_core.new_TransformationSymmetry(*args))
5919 def get_transformation(self):
5920 r"""get_transformation(TransformationSymmetry self) -> Transformation3D"""
5921 return _IMP_core.TransformationSymmetry_get_transformation(self)
5923 def set_transformation(self, t):
5924 r"""set_transformation(TransformationSymmetry self, Transformation3D t)"""
5925 return _IMP_core.TransformationSymmetry_set_transformation(self, t)
5927 def do_get_inputs(self, m, pis):
5928 r"""do_get_inputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5929 return _IMP_core.TransformationSymmetry_do_get_inputs(self, m, pis)
5931 def do_get_outputs(self, m, pis):
5932 r"""do_get_outputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5933 return _IMP_core.TransformationSymmetry_do_get_outputs(self, m, pis)
5935 def get_version_info(self):
5936 r"""get_version_info(TransformationSymmetry self) -> VersionInfo"""
5937 return _IMP_core.TransformationSymmetry_get_version_info(self)
5938 __swig_destroy__ = _IMP_core.delete_TransformationSymmetry
5941 r"""__str__(TransformationSymmetry self) -> std::string"""
5942 return _IMP_core.TransformationSymmetry___str__(self)
5945 r"""__repr__(TransformationSymmetry self) -> std::string"""
5946 return _IMP_core.TransformationSymmetry___repr__(self)
5950 return _object_cast_to_TransformationSymmetry(o)
5954 _IMP_core.TransformationSymmetry_swigregister(TransformationSymmetry)
5955 class TransformationSymmetryMover(MonteCarloMover):
5956 r"""Proxy of C++ IMP::core::TransformationSymmetryMover class."""
5958 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5960 def __init__(self, m, symm, pivot, max_translation, max_rotation):
5961 r"""__init__(TransformationSymmetryMover self, Model m, TransformationSymmetry symm, ParticleIndex pivot, IMP::Float max_translation, IMP::Float max_rotation) -> TransformationSymmetryMover"""
5962 _IMP_core.TransformationSymmetryMover_swiginit(self, _IMP_core.new_TransformationSymmetryMover(m, symm, pivot, max_translation, max_rotation))
5964 def set_maximum_translation(self, mt):
5965 r"""set_maximum_translation(TransformationSymmetryMover self, IMP::Float mt)"""
5966 return _IMP_core.TransformationSymmetryMover_set_maximum_translation(self, mt)
5968 def set_maximum_rotation(self, mr):
5969 r"""set_maximum_rotation(TransformationSymmetryMover self, IMP::Float mr)"""
5970 return _IMP_core.TransformationSymmetryMover_set_maximum_rotation(self, mr)
5972 def get_maximum_translation(self):
5973 r"""get_maximum_translation(TransformationSymmetryMover self) -> IMP::Float"""
5974 return _IMP_core.TransformationSymmetryMover_get_maximum_translation(self)
5976 def get_maximum_rotation(self):
5977 r"""get_maximum_rotation(TransformationSymmetryMover self) -> IMP::Float"""
5978 return _IMP_core.TransformationSymmetryMover_get_maximum_rotation(self)
5980 def get_version_info(self):
5981 r"""get_version_info(TransformationSymmetryMover self) -> VersionInfo"""
5982 return _IMP_core.TransformationSymmetryMover_get_version_info(self)
5983 __swig_destroy__ = _IMP_core.delete_TransformationSymmetryMover
5986 r"""__str__(TransformationSymmetryMover self) -> std::string"""
5987 return _IMP_core.TransformationSymmetryMover___str__(self)
5990 r"""__repr__(TransformationSymmetryMover self) -> std::string"""
5991 return _IMP_core.TransformationSymmetryMover___repr__(self)
5995 return _object_cast_to_TransformationSymmetryMover(o)
5999 _IMP_core.TransformationSymmetryMover_swigregister(TransformationSymmetryMover)
6001 r"""Proxy of C++ IMP::core::DihedralRestraint class."""
6003 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6005 def __init__(self, m, score_func, p1, p2, p3, p4):
6006 r"""__init__(DihedralRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3, _ParticleIndexAdaptor p4) -> DihedralRestraint"""
6007 _IMP_core.DihedralRestraint_swiginit(self, _IMP_core.new_DihedralRestraint(m, score_func, p1, p2, p3, p4))
6009 def do_get_inputs(self):
6010 r"""do_get_inputs(DihedralRestraint self) -> IMP::ModelObjectsTemp"""
6011 return _IMP_core.DihedralRestraint_do_get_inputs(self)
6013 def get_version_info(self):
6014 r"""get_version_info(DihedralRestraint self) -> VersionInfo"""
6015 return _IMP_core.DihedralRestraint_get_version_info(self)
6016 __swig_destroy__ = _IMP_core.delete_DihedralRestraint
6019 r"""__str__(DihedralRestraint self) -> std::string"""
6020 return _IMP_core.DihedralRestraint___str__(self)
6023 r"""__repr__(DihedralRestraint self) -> std::string"""
6024 return _IMP_core.DihedralRestraint___repr__(self)
6028 return _object_cast_to_DihedralRestraint(o)
6032 _IMP_core.DihedralRestraint_swigregister(DihedralRestraint)
6034 r"""Proxy of C++ IMP::core::DistancePairScore class."""
6036 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6038 def __init__(self, *args):
6040 __init__(DistancePairScore self, UnaryFunction uf, std::string name="DistancePairScore%1%") -> DistancePairScore
6041 __init__(DistancePairScore self) -> DistancePairScore
6043 _IMP_core.DistancePairScore_swiginit(self, _IMP_core.new_DistancePairScore(*args))
6045 def do_get_inputs(self, m, pis):
6046 r"""do_get_inputs(DistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6047 return _IMP_core.DistancePairScore_do_get_inputs(self, m, pis)
6049 def get_score_functor(self, *args):
6051 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
6052 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
6054 return _IMP_core.DistancePairScore_get_score_functor(self, *args)
6056 def get_version_info(self):
6057 r"""get_version_info(DistancePairScore self) -> VersionInfo"""
6058 return _IMP_core.DistancePairScore_get_version_info(self)
6059 __swig_destroy__ = _IMP_core.delete_DistancePairScore
6062 r"""__str__(DistancePairScore self) -> std::string"""
6063 return _IMP_core.DistancePairScore___str__(self)
6066 r"""__repr__(DistancePairScore self) -> std::string"""
6067 return _IMP_core.DistancePairScore___repr__(self)
6071 return _object_cast_to_DistancePairScore(o)
6074 def _get_as_binary(self):
6075 r"""_get_as_binary(DistancePairScore self) -> PyObject *"""
6076 return _IMP_core.DistancePairScore__get_as_binary(self)
6078 def _set_from_binary(self, p):
6079 r"""_set_from_binary(DistancePairScore self, PyObject * p)"""
6080 return _IMP_core.DistancePairScore__set_from_binary(self, p)
6082 def __getstate__(self):
6083 p = self._get_as_binary()
6084 if len(self.__dict__) > 1:
6085 d = self.__dict__.copy()
6090 def __setstate__(self, p):
6091 if not hasattr(self,
'this'):
6093 if isinstance(p, tuple):
6095 self.__dict__.update(d)
6096 return self._set_from_binary(p)
6099 def _get_jax(self, m, indexes):
6100 import jax.numpy
as jnp
6101 def jax_score(jm, uf):
6102 xyzs = jm[
'xyz'][indexes]
6103 diff = xyzs[:,0] - xyzs[:,1]
6104 drs = jnp.linalg.norm(diff, axis=1)
6106 sfnc = self.get_score_functor()
6107 uf = sfnc.get_unary_function().get_derived_object()
6108 f = functools.partial(jax_score, uf=uf._get_jax())
6109 return self._wrap_jax(m, f)
6113 _IMP_core.DistancePairScore_swigregister(DistancePairScore)
6115 r"""Proxy of C++ IMP::core::HarmonicDistancePairScore class."""
6117 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6119 def __init__(self, *args):
6121 __init__(HarmonicDistancePairScore self, double x0, double k, std::string name="HarmonicDistancePairScore%1%") -> HarmonicDistancePairScore
6122 __init__(HarmonicDistancePairScore self) -> HarmonicDistancePairScore
6124 _IMP_core.HarmonicDistancePairScore_swiginit(self, _IMP_core.new_HarmonicDistancePairScore(*args))
6126 def do_get_inputs(self, m, pis):
6127 r"""do_get_inputs(HarmonicDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6128 return _IMP_core.HarmonicDistancePairScore_do_get_inputs(self, m, pis)
6130 def get_score_functor(self, *args):
6132 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore
6133 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore const &
6135 return _IMP_core.HarmonicDistancePairScore_get_score_functor(self, *args)
6138 r"""get_x0(HarmonicDistancePairScore self) -> double"""
6139 return _IMP_core.HarmonicDistancePairScore_get_x0(self)
6142 r"""get_k(HarmonicDistancePairScore self) -> double"""
6143 return _IMP_core.HarmonicDistancePairScore_get_k(self)
6145 def get_version_info(self):
6146 r"""get_version_info(HarmonicDistancePairScore self) -> VersionInfo"""
6147 return _IMP_core.HarmonicDistancePairScore_get_version_info(self)
6148 __swig_destroy__ = _IMP_core.delete_HarmonicDistancePairScore
6151 r"""__str__(HarmonicDistancePairScore self) -> std::string"""
6152 return _IMP_core.HarmonicDistancePairScore___str__(self)
6155 r"""__repr__(HarmonicDistancePairScore self) -> std::string"""
6156 return _IMP_core.HarmonicDistancePairScore___repr__(self)
6160 return _object_cast_to_HarmonicDistancePairScore(o)
6163 def _get_as_binary(self):
6164 r"""_get_as_binary(HarmonicDistancePairScore self) -> PyObject *"""
6165 return _IMP_core.HarmonicDistancePairScore__get_as_binary(self)
6167 def _set_from_binary(self, p):
6168 r"""_set_from_binary(HarmonicDistancePairScore self, PyObject * p)"""
6169 return _IMP_core.HarmonicDistancePairScore__set_from_binary(self, p)
6171 def __getstate__(self):
6172 p = self._get_as_binary()
6173 if len(self.__dict__) > 1:
6174 d = self.__dict__.copy()
6179 def __setstate__(self, p):
6180 if not hasattr(self,
'this'):
6182 if isinstance(p, tuple):
6184 self.__dict__.update(d)
6185 return self._set_from_binary(p)
6188 def _get_jax(self, m, indexes):
6189 import jax.numpy
as jnp
6190 def jax_harmonic_distance_pair_score(jm, d, k):
6191 xyzs = jm[
'xyz'][indexes]
6192 diff = xyzs[:,0] - xyzs[:,1]
6193 drs = jnp.linalg.norm(diff, axis=1)
6194 return 0.5 * k * (d - drs)**2
6195 f = functools.partial(jax_harmonic_distance_pair_score,
6196 d=self.get_x0(), k=self.get_k())
6197 return self._wrap_jax(m, f)
6201 _IMP_core.HarmonicDistancePairScore_swigregister(HarmonicDistancePairScore)
6203 r"""Proxy of C++ IMP::core::DistanceRestraint class."""
6205 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6207 def __init__(self, *args):
6209 __init__(DistanceRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor a, _ParticleIndexAdaptor b, std::string name="DistanceRestraint %1%") -> DistanceRestraint
6210 __init__(DistanceRestraint self) -> DistanceRestraint
6212 _IMP_core.DistanceRestraint_swiginit(self, _IMP_core.new_DistanceRestraint(*args))
6214 def get_score_object(self):
6215 r"""get_score_object(DistanceRestraint self) -> DistancePairScore"""
6216 return _IMP_core.DistanceRestraint_get_score_object(self)
6219 r"""get_index(DistanceRestraint self) -> IMP::core::DistancePairScore::IndexArgument"""
6220 return _IMP_core.DistanceRestraint_get_index(self)
6222 def get_version_info(self):
6223 r"""get_version_info(DistanceRestraint self) -> VersionInfo"""
6224 return _IMP_core.DistanceRestraint_get_version_info(self)
6225 __swig_destroy__ = _IMP_core.delete_DistanceRestraint
6228 r"""__str__(DistanceRestraint self) -> std::string"""
6229 return _IMP_core.DistanceRestraint___str__(self)
6232 r"""__repr__(DistanceRestraint self) -> std::string"""
6233 return _IMP_core.DistanceRestraint___repr__(self)
6237 return _object_cast_to_DistanceRestraint(o)
6240 def _get_as_binary(self):
6241 r"""_get_as_binary(DistanceRestraint self) -> PyObject *"""
6242 return _IMP_core.DistanceRestraint__get_as_binary(self)
6244 def _set_from_binary(self, p):
6245 r"""_set_from_binary(DistanceRestraint self, PyObject * p)"""
6246 return _IMP_core.DistanceRestraint__set_from_binary(self, p)
6248 def __getstate__(self):
6249 p = self._get_as_binary()
6250 if len(self.__dict__) > 1:
6251 d = self.__dict__.copy()
6256 def __setstate__(self, p):
6257 if not hasattr(self,
'this'):
6259 if isinstance(p, tuple):
6261 self.__dict__.update(d)
6262 return self._set_from_binary(p)
6266 import jax.numpy
as jnp
6267 ps = self.get_score_object()
6268 indexes = jnp.array([self.get_index()])
6269 ji = ps._get_jax(self.get_model(), indexes)
6271 return jnp.sum(ji.score_func(jm))
6272 return self._wrap_jax(score)
6276 _IMP_core.DistanceRestraint_swigregister(DistanceRestraint)
6278 r"""Proxy of C++ IMP::core::SphereDistanceToSingletonScore class."""
6280 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6282 def __init__(self, f, pt):
6283 r"""__init__(SphereDistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> SphereDistanceToSingletonScore"""
6284 _IMP_core.SphereDistanceToSingletonScore_swiginit(self, _IMP_core.new_SphereDistanceToSingletonScore(f, pt))
6286 def do_get_inputs(self, m, pis):
6287 r"""do_get_inputs(SphereDistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6288 return _IMP_core.SphereDistanceToSingletonScore_do_get_inputs(self, m, pis)
6290 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
6291 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"""
6292 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
6294 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
6295 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"""
6296 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
6298 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
6299 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"""
6300 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
6302 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
6303 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"""
6304 return _IMP_core.SphereDistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
6306 def get_version_info(self):
6307 r"""get_version_info(SphereDistanceToSingletonScore self) -> VersionInfo"""
6308 return _IMP_core.SphereDistanceToSingletonScore_get_version_info(self)
6309 __swig_destroy__ = _IMP_core.delete_SphereDistanceToSingletonScore
6312 r"""__str__(SphereDistanceToSingletonScore self) -> std::string"""
6313 return _IMP_core.SphereDistanceToSingletonScore___str__(self)
6316 r"""__repr__(SphereDistanceToSingletonScore self) -> std::string"""
6317 return _IMP_core.SphereDistanceToSingletonScore___repr__(self)
6321 return _object_cast_to_SphereDistanceToSingletonScore(o)
6325 _IMP_core.SphereDistanceToSingletonScore_swigregister(SphereDistanceToSingletonScore)
6327 r"""Proxy of C++ IMP::core::ExcludedVolumeRestraint class."""
6329 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6331 def __init__(self, *args):
6332 r"""__init__(ExcludedVolumeRestraint self, _SingletonContainerAdaptor sc, double k=1, double slack=10, std::string name="ExcludedVolumeRestraint%1%") -> ExcludedVolumeRestraint"""
6333 _IMP_core.ExcludedVolumeRestraint_swiginit(self, _IMP_core.new_ExcludedVolumeRestraint(*args))
6335 def do_get_inputs(self):
6336 r"""do_get_inputs(ExcludedVolumeRestraint self) -> IMP::ModelObjectsTemp"""
6337 return _IMP_core.ExcludedVolumeRestraint_do_get_inputs(self)
6339 def get_version_info(self):
6340 r"""get_version_info(ExcludedVolumeRestraint self) -> VersionInfo"""
6341 return _IMP_core.ExcludedVolumeRestraint_get_version_info(self)
6342 __swig_destroy__ = _IMP_core.delete_ExcludedVolumeRestraint
6344 def do_create_decomposition(self):
6345 r"""do_create_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6346 return _IMP_core.ExcludedVolumeRestraint_do_create_decomposition(self)
6348 def do_create_current_decomposition(self):
6349 r"""do_create_current_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6350 return _IMP_core.ExcludedVolumeRestraint_do_create_current_decomposition(self)
6353 r"""get_indexes(ExcludedVolumeRestraint self) -> IMP::ParticleIndexPairs const &"""
6354 return _IMP_core.ExcludedVolumeRestraint_get_indexes(self)
6355 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)
6356 def __set_pair_filters(self, obj): IMP._list_util.set_varlist(self.pair_filters, obj)
6357 def __del_pair_filters(self): IMP._list_util.del_varlist(self.pair_filters)
6358 pair_filters = property(__get_pair_filters, __set_pair_filters, __del_pair_filters, doc=
"List of ##ucnames")
6360 def remove_pair_filter(self, d):
6361 r"""remove_pair_filter(ExcludedVolumeRestraint self, PairPredicate d)"""
6362 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filter(self, d)
6364 def _python_index_pair_filter(self, d, start, stop):
6365 r"""_python_index_pair_filter(ExcludedVolumeRestraint self, PairPredicate d, unsigned int start, unsigned int stop) -> unsigned int"""
6366 return _IMP_core.ExcludedVolumeRestraint__python_index_pair_filter(self, d, start, stop)
6368 def remove_pair_filters(self, d):
6369 r"""remove_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & d)"""
6370 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filters(self, d)
6372 def set_pair_filters(self, ps):
6373 r"""set_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & ps)"""
6374 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters(self, ps)
6376 def set_pair_filters_order(self, objs):
6377 r"""set_pair_filters_order(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6378 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters_order(self, objs)
6380 def add_pair_filter(self, obj):
6381 r"""add_pair_filter(ExcludedVolumeRestraint self, PairPredicate obj) -> unsigned int"""
6382 return _IMP_core.ExcludedVolumeRestraint_add_pair_filter(self, obj)
6384 def add_pair_filters(self, objs):
6385 r"""add_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6386 return _IMP_core.ExcludedVolumeRestraint_add_pair_filters(self, objs)
6388 def clear_pair_filters(self):
6389 r"""clear_pair_filters(ExcludedVolumeRestraint self)"""
6390 return _IMP_core.ExcludedVolumeRestraint_clear_pair_filters(self)
6392 def get_number_of_pair_filters(self):
6393 r"""get_number_of_pair_filters(ExcludedVolumeRestraint self) -> unsigned int"""
6394 return _IMP_core.ExcludedVolumeRestraint_get_number_of_pair_filters(self)
6396 def get_has_pair_filters(self):
6397 r"""get_has_pair_filters(ExcludedVolumeRestraint self) -> bool"""
6398 return _IMP_core.ExcludedVolumeRestraint_get_has_pair_filters(self)
6400 def get_pair_filter(self, i):
6401 r"""get_pair_filter(ExcludedVolumeRestraint self, unsigned int i) -> PairPredicate"""
6402 return _IMP_core.ExcludedVolumeRestraint_get_pair_filter(self, i)
6404 def get_pair_filters(self):
6405 r"""get_pair_filters(ExcludedVolumeRestraint self) -> IMP::PairPredicates"""
6406 return _IMP_core.ExcludedVolumeRestraint_get_pair_filters(self)
6408 def erase_pair_filter(self, i):
6409 r"""erase_pair_filter(ExcludedVolumeRestraint self, unsigned int i)"""
6410 return _IMP_core.ExcludedVolumeRestraint_erase_pair_filter(self, i)
6412 def reserve_pair_filters(self, sz):
6413 r"""reserve_pair_filters(ExcludedVolumeRestraint self, unsigned int sz)"""
6414 return _IMP_core.ExcludedVolumeRestraint_reserve_pair_filters(self, sz)
6417 r"""__str__(ExcludedVolumeRestraint self) -> std::string"""
6418 return _IMP_core.ExcludedVolumeRestraint___str__(self)
6421 r"""__repr__(ExcludedVolumeRestraint self) -> std::string"""
6422 return _IMP_core.ExcludedVolumeRestraint___repr__(self)
6426 return _object_cast_to_ExcludedVolumeRestraint(o)
6430 _IMP_core.ExcludedVolumeRestraint_swigregister(ExcludedVolumeRestraint)
6432 r"""Proxy of C++ IMP::core::FixedRefiner class."""
6434 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6436 def __init__(self, *args):
6438 __init__(FixedRefiner self, IMP::ParticlesTemp const & ps) -> FixedRefiner
6439 __init__(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> FixedRefiner
6441 _IMP_core.FixedRefiner_swiginit(self, _IMP_core.new_FixedRefiner(*args))
6443 def do_get_inputs(self, m, pis):
6444 r"""do_get_inputs(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6445 return _IMP_core.FixedRefiner_do_get_inputs(self, m, pis)
6447 def get_version_info(self):
6448 r"""get_version_info(FixedRefiner self) -> VersionInfo"""
6449 return _IMP_core.FixedRefiner_get_version_info(self)
6450 __swig_destroy__ = _IMP_core.delete_FixedRefiner
6453 r"""__str__(FixedRefiner self) -> std::string"""
6454 return _IMP_core.FixedRefiner___str__(self)
6457 r"""__repr__(FixedRefiner self) -> std::string"""
6458 return _IMP_core.FixedRefiner___repr__(self)
6462 return _object_cast_to_FixedRefiner(o)
6466 _IMP_core.FixedRefiner_swigregister(FixedRefiner)
6467 class GridClosePairsFinder(ClosePairsFinder):
6468 r"""Proxy of C++ IMP::core::GridClosePairsFinder class."""
6470 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6473 r"""__init__(GridClosePairsFinder self) -> GridClosePairsFinder"""
6474 _IMP_core.GridClosePairsFinder_swiginit(self, _IMP_core.new_GridClosePairsFinder())
6476 def get_close_pairs(self, *args):
6478 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6479 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6480 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
6481 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
6483 return _IMP_core.GridClosePairsFinder_get_close_pairs(self, *args)
6485 def do_get_inputs(self, m, pis):
6486 r"""do_get_inputs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6487 return _IMP_core.GridClosePairsFinder_do_get_inputs(self, m, pis)
6489 def get_version_info(self):
6490 r"""get_version_info(GridClosePairsFinder self) -> VersionInfo"""
6491 return _IMP_core.GridClosePairsFinder_get_version_info(self)
6492 __swig_destroy__ = _IMP_core.delete_GridClosePairsFinder
6495 r"""__str__(GridClosePairsFinder self) -> std::string"""
6496 return _IMP_core.GridClosePairsFinder___str__(self)
6499 r"""__repr__(GridClosePairsFinder self) -> std::string"""
6500 return _IMP_core.GridClosePairsFinder___repr__(self)
6504 return _object_cast_to_GridClosePairsFinder(o)
6507 def _get_as_binary(self):
6508 r"""_get_as_binary(GridClosePairsFinder self) -> PyObject *"""
6509 return _IMP_core.GridClosePairsFinder__get_as_binary(self)
6511 def _set_from_binary(self, p):
6512 r"""_set_from_binary(GridClosePairsFinder self, PyObject * p)"""
6513 return _IMP_core.GridClosePairsFinder__set_from_binary(self, p)
6515 def __getstate__(self):
6516 p = self._get_as_binary()
6517 if len(self.__dict__) > 1:
6518 d = self.__dict__.copy()
6523 def __setstate__(self, p):
6524 if not hasattr(self,
'this'):
6526 if isinstance(p, tuple):
6528 self.__dict__.update(d)
6529 return self._set_from_binary(p)
6533 _IMP_core.GridClosePairsFinder_swigregister(GridClosePairsFinder)
6535 r"""Proxy of C++ IMP::core::Harmonic class."""
6537 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6539 def __init__(self, *args):
6541 __init__(Harmonic self, IMP::Float mean, IMP::Float k) -> Harmonic
6542 __init__(Harmonic self) -> Harmonic
6544 _IMP_core.Harmonic_swiginit(self, _IMP_core.new_Harmonic(*args))
6546 def get_version_info(self):
6547 r"""get_version_info(Harmonic self) -> VersionInfo"""
6548 return _IMP_core.Harmonic_get_version_info(self)
6549 __swig_destroy__ = _IMP_core.delete_Harmonic
6552 r"""get_mean(Harmonic self) -> IMP::Float"""
6553 return _IMP_core.Harmonic_get_mean(self)
6556 r"""get_k(Harmonic self) -> IMP::Float"""
6557 return _IMP_core.Harmonic_get_k(self)
6559 def set_mean(self, mean):
6560 r"""set_mean(Harmonic self, IMP::Float mean)"""
6561 return _IMP_core.Harmonic_set_mean(self, mean)
6564 r"""set_k(Harmonic self, IMP::Float k)"""
6565 return _IMP_core.Harmonic_set_k(self, k)
6568 def get_k_from_standard_deviation(sd, t=297.15):
6569 r"""get_k_from_standard_deviation(IMP::Float sd, IMP::Float t=297.15) -> IMP::Float"""
6570 return _IMP_core.Harmonic_get_k_from_standard_deviation(sd, t)
6573 r"""__str__(Harmonic self) -> std::string"""
6574 return _IMP_core.Harmonic___str__(self)
6577 r"""__repr__(Harmonic self) -> std::string"""
6578 return _IMP_core.Harmonic___repr__(self)
6582 return _object_cast_to_Harmonic(o)
6585 def _get_as_binary(self):
6586 r"""_get_as_binary(Harmonic self) -> PyObject *"""
6587 return _IMP_core.Harmonic__get_as_binary(self)
6589 def _set_from_binary(self, p):
6590 r"""_set_from_binary(Harmonic self, PyObject * p)"""
6591 return _IMP_core.Harmonic__set_from_binary(self, p)
6593 def __getstate__(self):
6594 p = self._get_as_binary()
6595 if len(self.__dict__) > 1:
6596 d = self.__dict__.copy()
6601 def __setstate__(self, p):
6602 if not hasattr(self,
'this'):
6604 if isinstance(p, tuple):
6606 self.__dict__.update(d)
6607 return self._set_from_binary(p)
6611 def score(val, mean, k):
6612 return 0.5 * k * (mean - val) ** 2
6613 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6617 _IMP_core.Harmonic_swigregister(Harmonic)
6619 r"""Proxy of C++ IMP::core::HarmonicWell class."""
6621 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6623 def __init__(self, well, k):
6624 r"""__init__(HarmonicWell self, IMP::FloatRange const & well, double k) -> HarmonicWell"""
6625 _IMP_core.HarmonicWell_swiginit(self, _IMP_core.new_HarmonicWell(well, k))
6628 r"""get_well(HarmonicWell self) -> IMP::FloatRange"""
6629 return _IMP_core.HarmonicWell_get_well(self)
6632 r"""get_k(HarmonicWell self) -> double"""
6633 return _IMP_core.HarmonicWell_get_k(self)
6635 def get_version_info(self):
6636 r"""get_version_info(HarmonicWell self) -> VersionInfo"""
6637 return _IMP_core.HarmonicWell_get_version_info(self)
6638 __swig_destroy__ = _IMP_core.delete_HarmonicWell
6641 r"""__str__(HarmonicWell self) -> std::string"""
6642 return _IMP_core.HarmonicWell___str__(self)
6645 r"""__repr__(HarmonicWell self) -> std::string"""
6646 return _IMP_core.HarmonicWell___repr__(self)
6650 return _object_cast_to_HarmonicWell(o)
6654 import jax.numpy
as jnp
6655 def score(val, lb, ub, k):
6656 return 0.5 * k * (val - jnp.clip(val, lb, ub)) ** 2
6657 well = self.get_well()
6658 return functools.partial(score, lb=well[0], ub=well[1], k=self.get_k())
6662 _IMP_core.HarmonicWell_swigregister(HarmonicWell)
6663 class HarmonicLowerBound(Harmonic):
6664 r"""Proxy of C++ IMP::core::HarmonicLowerBound class."""
6666 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6668 def __init__(self, *args):
6670 __init__(HarmonicLowerBound self, IMP::Float mean, IMP::Float k) -> HarmonicLowerBound
6671 __init__(HarmonicLowerBound self) -> HarmonicLowerBound
6673 _IMP_core.HarmonicLowerBound_swiginit(self, _IMP_core.new_HarmonicLowerBound(*args))
6674 __swig_destroy__ = _IMP_core.delete_HarmonicLowerBound
6677 r"""__str__(HarmonicLowerBound self) -> std::string"""
6678 return _IMP_core.HarmonicLowerBound___str__(self)
6681 r"""__repr__(HarmonicLowerBound self) -> std::string"""
6682 return _IMP_core.HarmonicLowerBound___repr__(self)
6686 return _object_cast_to_HarmonicLowerBound(o)
6689 def _get_as_binary(self):
6690 r"""_get_as_binary(HarmonicLowerBound self) -> PyObject *"""
6691 return _IMP_core.HarmonicLowerBound__get_as_binary(self)
6693 def _set_from_binary(self, p):
6694 r"""_set_from_binary(HarmonicLowerBound self, PyObject * p)"""
6695 return _IMP_core.HarmonicLowerBound__set_from_binary(self, p)
6697 def __getstate__(self):
6698 p = self._get_as_binary()
6699 if len(self.__dict__) > 1:
6700 d = self.__dict__.copy()
6705 def __setstate__(self, p):
6706 if not hasattr(self,
'this'):
6708 if isinstance(p, tuple):
6710 self.__dict__.update(d)
6711 return self._set_from_binary(p)
6716 def score(val, mean, k):
6717 return 0.5 * k * jax.lax.max(mean - val, 0.0) ** 2
6718 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6722 _IMP_core.HarmonicLowerBound_swigregister(HarmonicLowerBound)
6723 class HarmonicUpperBound(Harmonic):
6724 r"""Proxy of C++ IMP::core::HarmonicUpperBound class."""
6726 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6728 def __init__(self, *args):
6730 __init__(HarmonicUpperBound self, IMP::Float mean, IMP::Float k) -> HarmonicUpperBound
6731 __init__(HarmonicUpperBound self) -> HarmonicUpperBound
6733 _IMP_core.HarmonicUpperBound_swiginit(self, _IMP_core.new_HarmonicUpperBound(*args))
6734 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBound
6737 r"""__str__(HarmonicUpperBound self) -> std::string"""
6738 return _IMP_core.HarmonicUpperBound___str__(self)
6741 r"""__repr__(HarmonicUpperBound self) -> std::string"""
6742 return _IMP_core.HarmonicUpperBound___repr__(self)
6746 return _object_cast_to_HarmonicUpperBound(o)
6749 def _get_as_binary(self):
6750 r"""_get_as_binary(HarmonicUpperBound self) -> PyObject *"""
6751 return _IMP_core.HarmonicUpperBound__get_as_binary(self)
6753 def _set_from_binary(self, p):
6754 r"""_set_from_binary(HarmonicUpperBound self, PyObject * p)"""
6755 return _IMP_core.HarmonicUpperBound__set_from_binary(self, p)
6757 def __getstate__(self):
6758 p = self._get_as_binary()
6759 if len(self.__dict__) > 1:
6760 d = self.__dict__.copy()
6765 def __setstate__(self, p):
6766 if not hasattr(self,
'this'):
6768 if isinstance(p, tuple):
6770 self.__dict__.update(d)
6771 return self._set_from_binary(p)
6776 def score(val, mean, k):
6777 return 0.5 * k * jax.lax.min(mean - val, 0.0) ** 2
6778 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6782 _IMP_core.HarmonicUpperBound_swigregister(HarmonicUpperBound)
6784 r"""Proxy of C++ IMP::core::WeightedSum class."""
6786 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6788 def __init__(self, funcs, weights):
6789 r"""__init__(WeightedSum self, IMP::UnaryFunctions funcs, IMP::Floats weights) -> WeightedSum"""
6790 _IMP_core.WeightedSum_swiginit(self, _IMP_core.new_WeightedSum(funcs, weights))
6792 def get_function_number(self):
6793 r"""get_function_number(WeightedSum self) -> unsigned int"""
6794 return _IMP_core.WeightedSum_get_function_number(self)
6796 def set_weights(self, weights):
6797 r"""set_weights(WeightedSum self, IMP::Floats weights)"""
6798 return _IMP_core.WeightedSum_set_weights(self, weights)
6800 def get_weights(self):
6801 r"""get_weights(WeightedSum self) -> IMP::Floats"""
6802 return _IMP_core.WeightedSum_get_weights(self)
6804 def get_weight(self, i):
6805 r"""get_weight(WeightedSum self, unsigned int i) -> double"""
6806 return _IMP_core.WeightedSum_get_weight(self, i)
6808 def get_function(self, i):
6809 r"""get_function(WeightedSum self, unsigned int i) -> UnaryFunction"""
6810 return _IMP_core.WeightedSum_get_function(self, i)
6812 def get_version_info(self):
6813 r"""get_version_info(WeightedSum self) -> VersionInfo"""
6814 return _IMP_core.WeightedSum_get_version_info(self)
6815 __swig_destroy__ = _IMP_core.delete_WeightedSum
6818 r"""__str__(WeightedSum self) -> std::string"""
6819 return _IMP_core.WeightedSum___str__(self)
6822 r"""__repr__(WeightedSum self) -> std::string"""
6823 return _IMP_core.WeightedSum___repr__(self)
6827 return _object_cast_to_WeightedSum(o)
6831 import jax.numpy
as jnp
6832 def score(val, funcs, weights):
6833 return sum(f(val) * weight
for (f, weight)
in zip(funcs, weights))
6834 nfunc = self.get_function_number()
6835 funcs = [self.get_function(i).get_derived_object()._get_jax()
6836 for i
in range(nfunc)]
6837 return functools.partial(score, funcs=funcs,
6838 weights=self.get_weights())
6842 _IMP_core.WeightedSum_swigregister(WeightedSum)
6844 r"""Proxy of C++ IMP::core::WeightedSumOfExponential class."""
6846 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6848 def __init__(self, funcs, weights, denom=1.0):
6849 r"""__init__(WeightedSumOfExponential self, IMP::UnaryFunctions funcs, IMP::Floats weights, IMP::Float denom=1.0) -> WeightedSumOfExponential"""
6850 _IMP_core.WeightedSumOfExponential_swiginit(self, _IMP_core.new_WeightedSumOfExponential(funcs, weights, denom))
6852 def get_function_number(self):
6853 r"""get_function_number(WeightedSumOfExponential self) -> unsigned int"""
6854 return _IMP_core.WeightedSumOfExponential_get_function_number(self)
6856 def set_weights(self, weights):
6857 r"""set_weights(WeightedSumOfExponential self, IMP::Floats weights)"""
6858 return _IMP_core.WeightedSumOfExponential_set_weights(self, weights)
6860 def get_weights(self):
6861 r"""get_weights(WeightedSumOfExponential self) -> IMP::Floats"""
6862 return _IMP_core.WeightedSumOfExponential_get_weights(self)
6864 def get_weight(self, i):
6865 r"""get_weight(WeightedSumOfExponential self, unsigned int i) -> double"""
6866 return _IMP_core.WeightedSumOfExponential_get_weight(self, i)
6868 def get_function(self, i):
6869 r"""get_function(WeightedSumOfExponential self, unsigned int i) -> UnaryFunction"""
6870 return _IMP_core.WeightedSumOfExponential_get_function(self, i)
6872 def set_denominator(self, denom):
6873 r"""set_denominator(WeightedSumOfExponential self, double denom)"""
6874 return _IMP_core.WeightedSumOfExponential_set_denominator(self, denom)
6876 def get_denominator(self):
6877 r"""get_denominator(WeightedSumOfExponential self) -> double"""
6878 return _IMP_core.WeightedSumOfExponential_get_denominator(self)
6880 def get_version_info(self):
6881 r"""get_version_info(WeightedSumOfExponential self) -> VersionInfo"""
6882 return _IMP_core.WeightedSumOfExponential_get_version_info(self)
6883 __swig_destroy__ = _IMP_core.delete_WeightedSumOfExponential
6886 r"""__str__(WeightedSumOfExponential self) -> std::string"""
6887 return _IMP_core.WeightedSumOfExponential___str__(self)
6890 r"""__repr__(WeightedSumOfExponential self) -> std::string"""
6891 return _IMP_core.WeightedSumOfExponential___repr__(self)
6895 return _object_cast_to_WeightedSumOfExponential(o)
6899 import jax.numpy
as jnp
6900 def score(val, funcs, weights, denom):
6901 exp_sum = sum(weight * jnp.exp(-f(val) / denom)
6902 for (f, weight)
in zip(funcs, weights))
6903 return -jnp.log(exp_sum) * denom
6904 nfunc = self.get_function_number()
6905 funcs = [self.get_function(i).get_derived_object()._get_jax()
6906 for i
in range(nfunc)]
6907 return functools.partial(score, funcs=funcs,
6908 weights=self.get_weights(),
6909 denom=self.get_denominator())
6913 _IMP_core.WeightedSumOfExponential_swigregister(WeightedSumOfExponential)
6915 r"""Proxy of C++ IMP::core::MSConnectivityRestraint class."""
6917 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6919 def __init__(self, m, ps, eps=0.1):
6920 r"""__init__(MSConnectivityRestraint self, Model m, PairScore ps, double eps=0.1) -> MSConnectivityRestraint"""
6921 _IMP_core.MSConnectivityRestraint_swiginit(self, _IMP_core.new_MSConnectivityRestraint(m, ps, eps))
6923 def add_type(self, ps):
6924 r"""add_type(MSConnectivityRestraint self, IMP::ParticlesTemp const & ps) -> unsigned int"""
6925 return _IMP_core.MSConnectivityRestraint_add_type(self, ps)
6927 def add_composite(self, *args):
6929 add_composite(MSConnectivityRestraint self, IMP::Ints const & components) -> unsigned int
6930 add_composite(MSConnectivityRestraint self, IMP::Ints const & components, unsigned int parent) -> unsigned int
6932 return _IMP_core.MSConnectivityRestraint_add_composite(self, *args)
6934 def get_connected_pairs(self):
6935 r"""get_connected_pairs(MSConnectivityRestraint self) -> IMP::ParticlePairsTemp"""
6936 return _IMP_core.MSConnectivityRestraint_get_connected_pairs(self)
6938 def get_pair_score(self):
6939 r"""get_pair_score(MSConnectivityRestraint self) -> PairScore"""
6940 return _IMP_core.MSConnectivityRestraint_get_pair_score(self)
6942 def do_create_current_decomposition(self):
6943 r"""do_create_current_decomposition(MSConnectivityRestraint self) -> IMP::Restraints"""
6944 return _IMP_core.MSConnectivityRestraint_do_create_current_decomposition(self)
6946 def do_get_inputs(self):
6947 r"""do_get_inputs(MSConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
6948 return _IMP_core.MSConnectivityRestraint_do_get_inputs(self)
6950 def get_version_info(self):
6951 r"""get_version_info(MSConnectivityRestraint self) -> VersionInfo"""
6952 return _IMP_core.MSConnectivityRestraint_get_version_info(self)
6953 __swig_destroy__ = _IMP_core.delete_MSConnectivityRestraint
6956 r"""__str__(MSConnectivityRestraint self) -> std::string"""
6957 return _IMP_core.MSConnectivityRestraint___str__(self)
6960 r"""__repr__(MSConnectivityRestraint self) -> std::string"""
6961 return _IMP_core.MSConnectivityRestraint___repr__(self)
6965 return _object_cast_to_MSConnectivityRestraint(o)
6969 _IMP_core.MSConnectivityRestraint_swigregister(MSConnectivityRestraint)
6970 class HierarchyTraits(object):
6971 r"""Proxy of C++ IMP::core::HierarchyTraits class."""
6973 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6975 def __init__(self, *args):
6977 __init__(HierarchyTraits self) -> HierarchyTraits
6978 __init__(HierarchyTraits self, std::string name) -> HierarchyTraits
6980 _IMP_core.HierarchyTraits_swiginit(self, _IMP_core.new_HierarchyTraits(*args))
6982 def get_children_key(self):
6983 r"""get_children_key(HierarchyTraits self) -> ParticleIndexesKey"""
6984 return _IMP_core.HierarchyTraits_get_children_key(self)
6986 def get_parent_key(self):
6987 r"""get_parent_key(HierarchyTraits self) -> ParticleIndexKey"""
6988 return _IMP_core.HierarchyTraits_get_parent_key(self)
6990 def __eq__(self, o):
6991 r"""__eq__(HierarchyTraits self, HierarchyTraits o) -> bool"""
6992 return _IMP_core.HierarchyTraits___eq__(self, o)
6994 def show(self, *args):
6995 r"""show(HierarchyTraits self, _ostream out=std::cout)"""
6996 return _IMP_core.HierarchyTraits_show(self, *args)
6999 r"""__str__(HierarchyTraits self) -> std::string"""
7000 return _IMP_core.HierarchyTraits___str__(self)
7003 r"""__repr__(HierarchyTraits self) -> std::string"""
7004 return _IMP_core.HierarchyTraits___repr__(self)
7005 __swig_destroy__ = _IMP_core.delete_HierarchyTraits
7008 _IMP_core.HierarchyTraits_swigregister(HierarchyTraits)
7010 r"""Proxy of C++ IMP::core::Hierarchy class."""
7012 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7014 def get_decorator_traits(self):
7015 r"""get_decorator_traits(Hierarchy self) -> HierarchyTraits"""
7016 return _IMP_core.Hierarchy_get_decorator_traits(self)
7019 def get_default_decorator_traits():
7020 r"""get_default_decorator_traits() -> HierarchyTraits"""
7021 return _IMP_core.Hierarchy_get_default_decorator_traits()
7023 def __init__(self, *args):
7025 __init__(Hierarchy self) -> Hierarchy
7026 __init__(Hierarchy self, Model m, ParticleIndex id, HierarchyTraits tr=get_default_traits()) -> Hierarchy
7027 __init__(Hierarchy self, _ParticleAdaptor d, HierarchyTraits tr=get_default_traits()) -> Hierarchy
7029 _IMP_core.Hierarchy_swiginit(self, _IMP_core.new_Hierarchy(*args))
7031 def show(self, *args):
7032 r"""show(Hierarchy self, _ostream out=std::cout)"""
7033 return _IMP_core.Hierarchy_show(self, *args)
7036 def setup_particle(*args):
7038 setup_particle(Model m, ParticleIndex pi, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7039 setup_particle(_ParticleAdaptor d, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7040 setup_particle(Model m, ParticleIndex pi, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7041 setup_particle(_ParticleAdaptor d, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7042 setup_particle(Model m, ParticleIndex pi, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7043 setup_particle(_ParticleAdaptor d, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
7045 return _IMP_core.Hierarchy_setup_particle(*args)
7048 def get_is_setup(*args):
7050 get_is_setup(_ParticleAdaptor p, HierarchyTraits tr=get_default_traits()) -> bool
7051 get_is_setup(Model arg1, ParticleIndex arg2, HierarchyTraits arg3=Hierarchy::get_default_traits()) -> bool
7053 return _IMP_core.Hierarchy_get_is_setup(*args)
7056 def get_changed_key():
7057 r"""get_changed_key() -> TriggerKey"""
7058 return _IMP_core.Hierarchy_get_changed_key()
7060 def get_parent(self):
7061 r"""get_parent(Hierarchy self) -> Hierarchy"""
7062 return _IMP_core.Hierarchy_get_parent(self)
7064 def get_number_of_children(self):
7065 r"""get_number_of_children(Hierarchy self) -> unsigned int"""
7066 return _IMP_core.Hierarchy_get_number_of_children(self)
7068 def get_child(self, i):
7069 r"""get_child(Hierarchy self, unsigned int i) -> Hierarchy"""
7070 return _IMP_core.Hierarchy_get_child(self, i)
7072 def get_children_indexes(self):
7073 r"""get_children_indexes(Hierarchy self) -> IMP::ParticleIndexes"""
7074 return _IMP_core.Hierarchy_get_children_indexes(self)
7076 def get_children(self):
7077 r"""get_children(Hierarchy self) -> IMP::core::GenericHierarchies"""
7078 return _IMP_core.Hierarchy_get_children(self)
7080 def remove_child(self, *args):
7082 remove_child(Hierarchy self, unsigned int i)
7083 remove_child(Hierarchy self, Hierarchy h)
7085 return _IMP_core.Hierarchy_remove_child(self, *args)
7087 def clear_children(self):
7088 r"""clear_children(Hierarchy self)"""
7089 return _IMP_core.Hierarchy_clear_children(self)
7091 def add_child(self, h):
7092 r"""add_child(Hierarchy self, Hierarchy h)"""
7093 return _IMP_core.Hierarchy_add_child(self, h)
7095 def add_child_at(self, h, pos):
7096 r"""add_child_at(Hierarchy self, Hierarchy h, unsigned int pos)"""
7097 return _IMP_core.Hierarchy_add_child_at(self, h, pos)
7099 def get_child_index(self, *args):
7101 get_child_index(Hierarchy self, unsigned int i) -> ParticleIndex
7102 get_child_index(Hierarchy self) -> int
7104 return _IMP_core.Hierarchy_get_child_index(self, *args)
7107 def get_default_traits():
7108 r"""get_default_traits() -> HierarchyTraits"""
7109 return _IMP_core.Hierarchy_get_default_traits()
7111 def get_traits(self):
7112 r"""get_traits(Hierarchy self) -> HierarchyTraits"""
7113 return _IMP_core.Hierarchy_get_traits(self)
7115 def add_attribute(self, *args):
7117 add_attribute(Hierarchy self, FloatKey k, IMP::Float v, bool opt)
7118 add_attribute(Hierarchy self, FloatKey a0, IMP::Float a1)
7119 add_attribute(Hierarchy self, IntKey a0, IMP::Int a1)
7120 add_attribute(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7121 add_attribute(Hierarchy self, IntsKey a0, IMP::Ints a1)
7122 add_attribute(Hierarchy self, StringKey a0, IMP::String a1)
7123 add_attribute(Hierarchy self, ParticleIndexKey a0, Particle a1)
7124 add_attribute(Hierarchy self, ObjectKey a0, Object a1)
7125 add_attribute(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7126 add_attribute(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7127 add_attribute(Hierarchy self, SparseStringKey a0, IMP::String a1)
7128 add_attribute(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7130 return _IMP_core.Hierarchy_add_attribute(self, *args)
7132 def get_value(self, *args):
7134 get_value(Hierarchy self, FloatKey a0) -> IMP::Float
7135 get_value(Hierarchy self, IntKey a0) -> IMP::Int
7136 get_value(Hierarchy self, FloatsKey a0) -> IMP::Floats
7137 get_value(Hierarchy self, IntsKey a0) -> IMP::Ints
7138 get_value(Hierarchy self, StringKey a0) -> IMP::String
7139 get_value(Hierarchy self, ParticleIndexKey a0) -> Particle
7140 get_value(Hierarchy self, ObjectKey a0) -> Object
7141 get_value(Hierarchy self, SparseFloatKey a0) -> IMP::Float
7142 get_value(Hierarchy self, SparseIntKey a0) -> IMP::Int
7143 get_value(Hierarchy self, SparseStringKey a0) -> IMP::String
7144 get_value(Hierarchy self, SparseParticleIndexKey a0) -> ParticleIndex
7146 return _IMP_core.Hierarchy_get_value(self, *args)
7148 def set_value(self, *args):
7150 set_value(Hierarchy self, FloatKey a0, IMP::Float a1)
7151 set_value(Hierarchy self, IntKey a0, IMP::Int a1)
7152 set_value(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7153 set_value(Hierarchy self, IntsKey a0, IMP::Ints a1)
7154 set_value(Hierarchy self, StringKey a0, IMP::String a1)
7155 set_value(Hierarchy self, ParticleIndexKey a0, Particle a1)
7156 set_value(Hierarchy self, ObjectKey a0, Object a1)
7157 set_value(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7158 set_value(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7159 set_value(Hierarchy self, SparseStringKey a0, IMP::String a1)
7160 set_value(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7162 return _IMP_core.Hierarchy_set_value(self, *args)
7164 def remove_attribute(self, *args):
7166 remove_attribute(Hierarchy self, FloatKey a0)
7167 remove_attribute(Hierarchy self, IntKey a0)
7168 remove_attribute(Hierarchy self, FloatsKey a0)
7169 remove_attribute(Hierarchy self, IntsKey a0)
7170 remove_attribute(Hierarchy self, StringKey a0)
7171 remove_attribute(Hierarchy self, ParticleIndexKey a0)
7172 remove_attribute(Hierarchy self, ObjectKey a0)
7173 remove_attribute(Hierarchy self, SparseFloatKey a0)
7174 remove_attribute(Hierarchy self, SparseIntKey a0)
7175 remove_attribute(Hierarchy self, SparseStringKey a0)
7176 remove_attribute(Hierarchy self, SparseParticleIndexKey a0)
7178 return _IMP_core.Hierarchy_remove_attribute(self, *args)
7180 def has_attribute(self, *args):
7182 has_attribute(Hierarchy self, FloatKey a0) -> bool
7183 has_attribute(Hierarchy self, IntKey a0) -> bool
7184 has_attribute(Hierarchy self, FloatsKey a0) -> bool
7185 has_attribute(Hierarchy self, IntsKey a0) -> bool
7186 has_attribute(Hierarchy self, StringKey a0) -> bool
7187 has_attribute(Hierarchy self, ParticleIndexKey a0) -> bool
7188 has_attribute(Hierarchy self, ObjectKey a0) -> bool
7189 has_attribute(Hierarchy self, SparseFloatKey a0) -> bool
7190 has_attribute(Hierarchy self, SparseIntKey a0) -> bool
7191 has_attribute(Hierarchy self, SparseStringKey a0) -> bool
7192 has_attribute(Hierarchy self, SparseParticleIndexKey a0) -> bool
7194 return _IMP_core.Hierarchy_has_attribute(self, *args)
7196 def get_derivative(self, a0):
7197 r"""get_derivative(Hierarchy self, FloatKey a0) -> double"""
7198 return _IMP_core.Hierarchy_get_derivative(self, a0)
7201 r"""get_name(Hierarchy self) -> std::string"""
7202 return _IMP_core.Hierarchy_get_name(self)
7204 def clear_caches(self):
7205 r"""clear_caches(Hierarchy self)"""
7206 return _IMP_core.Hierarchy_clear_caches(self)
7208 def set_name(self, a0):
7209 r"""set_name(Hierarchy self, std::string a0)"""
7210 return _IMP_core.Hierarchy_set_name(self, a0)
7213 r"""set_check_level(Hierarchy self, IMP::CheckLevel a0)"""
7214 return _IMP_core.Hierarchy_set_check_level(self, a0)
7216 def add_to_derivative(self, a0, a1, a2):
7217 r"""add_to_derivative(Hierarchy self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7218 return _IMP_core.Hierarchy_add_to_derivative(self, a0, a1, a2)
7220 def set_is_optimized(self, a0, a1):
7221 r"""set_is_optimized(Hierarchy self, FloatKey a0, bool a1)"""
7222 return _IMP_core.Hierarchy_set_is_optimized(self, a0, a1)
7224 def get_is_optimized(self, a0):
7225 r"""get_is_optimized(Hierarchy self, FloatKey a0) -> bool"""
7226 return _IMP_core.Hierarchy_get_is_optimized(self, a0)
7229 r"""get_check_level(Hierarchy self) -> IMP::CheckLevel"""
7230 return _IMP_core.Hierarchy_get_check_level(self)
7232 def __eq__(self, *args):
7234 __eq__(Hierarchy self, Hierarchy o) -> bool
7235 __eq__(Hierarchy self, Particle d) -> bool
7237 return _IMP_core.Hierarchy___eq__(self, *args)
7239 def __ne__(self, *args):
7241 __ne__(Hierarchy self, Hierarchy o) -> bool
7242 __ne__(Hierarchy self, Particle d) -> bool
7244 return _IMP_core.Hierarchy___ne__(self, *args)
7246 def __le__(self, *args):
7248 __le__(Hierarchy self, Hierarchy o) -> bool
7249 __le__(Hierarchy self, Particle d) -> bool
7251 return _IMP_core.Hierarchy___le__(self, *args)
7253 def __lt__(self, *args):
7255 __lt__(Hierarchy self, Hierarchy o) -> bool
7256 __lt__(Hierarchy self, Particle d) -> bool
7258 return _IMP_core.Hierarchy___lt__(self, *args)
7260 def __ge__(self, *args):
7262 __ge__(Hierarchy self, Hierarchy o) -> bool
7263 __ge__(Hierarchy self, Particle d) -> bool
7265 return _IMP_core.Hierarchy___ge__(self, *args)
7267 def __gt__(self, *args):
7269 __gt__(Hierarchy self, Hierarchy o) -> bool
7270 __gt__(Hierarchy self, Particle d) -> bool
7272 return _IMP_core.Hierarchy___gt__(self, *args)
7275 r"""__hash__(Hierarchy self) -> std::size_t"""
7276 return _IMP_core.Hierarchy___hash__(self)
7279 r"""__str__(Hierarchy self) -> std::string"""
7280 return _IMP_core.Hierarchy___str__(self)
7283 r"""__repr__(Hierarchy self) -> std::string"""
7284 return _IMP_core.Hierarchy___repr__(self)
7285 __swig_destroy__ = _IMP_core.delete_Hierarchy
7288 _IMP_core.Hierarchy_swigregister(Hierarchy)
7289 class HierarchyVisitor(object):
7290 r"""Proxy of C++ IMP::core::HierarchyVisitor class."""
7292 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7293 __repr__ = _swig_repr
7296 r"""__init__(HierarchyVisitor self) -> HierarchyVisitor"""
7297 if self.__class__ == HierarchyVisitor:
7301 _IMP_core.HierarchyVisitor_swiginit(self, _IMP_core.new_HierarchyVisitor(_self, ))
7303 if self.__class__ != HierarchyVisitor:
7304 _director_objects.register(self)
7309 def __call__(self, p):
7310 r"""__call__(HierarchyVisitor self, Hierarchy p) -> bool"""
7311 return _IMP_core.HierarchyVisitor___call__(self, p)
7312 __swig_destroy__ = _IMP_core.delete_HierarchyVisitor
7313 def __disown__(self):
7315 _IMP_core.disown_HierarchyVisitor(self)
7316 return weakref.proxy(self)
7319 _IMP_core.HierarchyVisitor_swigregister(HierarchyVisitor)
7320 class ModifierVisitor(HierarchyVisitor):
7321 r"""Proxy of C++ IMP::core::ModifierVisitor class."""
7323 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7324 __repr__ = _swig_repr
7326 def __init__(self, sm):
7327 r"""__init__(ModifierVisitor self, SingletonModifier sm) -> ModifierVisitor"""
7328 _IMP_core.ModifierVisitor_swiginit(self, _IMP_core.new_ModifierVisitor(sm))
7329 __swig_destroy__ = _IMP_core.delete_ModifierVisitor
7332 _IMP_core.ModifierVisitor_swigregister(ModifierVisitor)
7333 class HierarchyCounter(HierarchyVisitor):
7334 r"""Proxy of C++ IMP::core::HierarchyCounter class."""
7336 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7339 r"""__init__(HierarchyCounter self) -> HierarchyCounter"""
7340 _IMP_core.HierarchyCounter_swiginit(self, _IMP_core.new_HierarchyCounter())
7342 def get_count(self):
7343 r"""get_count(HierarchyCounter self) -> unsigned int"""
7344 return _IMP_core.HierarchyCounter_get_count(self)
7346 def show(self, *args):
7347 r"""show(HierarchyCounter self, _ostream out=std::cout)"""
7348 return _IMP_core.HierarchyCounter_show(self, *args)
7351 r"""__str__(HierarchyCounter self) -> std::string"""
7352 return _IMP_core.HierarchyCounter___str__(self)
7355 r"""__repr__(HierarchyCounter self) -> std::string"""
7356 return _IMP_core.HierarchyCounter___repr__(self)
7358 def _get_as_binary(self):
7359 r"""_get_as_binary(HierarchyCounter self) -> PyObject *"""
7360 return _IMP_core.HierarchyCounter__get_as_binary(self)
7362 def _set_from_binary(self, p):
7363 r"""_set_from_binary(HierarchyCounter self, PyObject * p)"""
7364 return _IMP_core.HierarchyCounter__set_from_binary(self, p)
7366 def __getstate__(self):
7367 p = self._get_as_binary()
7368 if len(self.__dict__) > 1:
7369 d = self.__dict__.copy()
7374 def __setstate__(self, p):
7375 if not hasattr(self,
'this'):
7377 if isinstance(p, tuple):
7379 self.__dict__.update(d)
7380 return self._set_from_binary(p)
7382 __swig_destroy__ = _IMP_core.delete_HierarchyCounter
7385 _IMP_core.HierarchyCounter_swigregister(HierarchyCounter)
7388 r"""get_leaves(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7389 return _IMP_core.get_leaves(mhd)
7392 r"""get_internal(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7393 return _IMP_core.get_internal(mhd)
7396 r"""get_all_descendants(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7397 return _IMP_core.get_all_descendants(mhd)
7400 r"""get_root(Hierarchy h) -> Hierarchy"""
7401 return _IMP_core.get_root(h)
7404 r"""visit_breadth_first(Hierarchy d, HierarchyVisitor f)"""
7405 return _IMP_core.visit_breadth_first(d, f)
7408 r"""visit_depth_first(Hierarchy d, HierarchyVisitor f)"""
7409 return _IMP_core.visit_depth_first(d, f)
7411 r"""Proxy of C++ IMP::core::LeavesRefiner class."""
7413 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7415 def __init__(self, tr):
7416 r"""__init__(LeavesRefiner self, HierarchyTraits tr) -> LeavesRefiner"""
7417 _IMP_core.LeavesRefiner_swiginit(self, _IMP_core.new_LeavesRefiner(tr))
7419 def do_get_inputs(self, m, pis):
7420 r"""do_get_inputs(LeavesRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7421 return _IMP_core.LeavesRefiner_do_get_inputs(self, m, pis)
7423 def get_version_info(self):
7424 r"""get_version_info(LeavesRefiner self) -> VersionInfo"""
7425 return _IMP_core.LeavesRefiner_get_version_info(self)
7426 __swig_destroy__ = _IMP_core.delete_LeavesRefiner
7429 r"""__str__(LeavesRefiner self) -> std::string"""
7430 return _IMP_core.LeavesRefiner___str__(self)
7433 r"""__repr__(LeavesRefiner self) -> std::string"""
7434 return _IMP_core.LeavesRefiner___repr__(self)
7438 return _object_cast_to_LeavesRefiner(o)
7442 _IMP_core.LeavesRefiner_swigregister(LeavesRefiner)
7444 r"""Proxy of C++ IMP::core::Linear class."""
7446 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7448 def __init__(self, *args):
7450 __init__(Linear self, double offset, double slope) -> Linear
7451 __init__(Linear self) -> Linear
7453 _IMP_core.Linear_swiginit(self, _IMP_core.new_Linear(*args))
7455 def set_slope(self, f):
7456 r"""set_slope(Linear self, double f)"""
7457 return _IMP_core.Linear_set_slope(self, f)
7459 def get_slope(self):
7460 r"""get_slope(Linear self) -> double"""
7461 return _IMP_core.Linear_get_slope(self)
7463 def set_offset(self, f):
7464 r"""set_offset(Linear self, double f)"""
7465 return _IMP_core.Linear_set_offset(self, f)
7467 def get_offset(self):
7468 r"""get_offset(Linear self) -> double"""
7469 return _IMP_core.Linear_get_offset(self)
7471 def get_version_info(self):
7472 r"""get_version_info(Linear self) -> VersionInfo"""
7473 return _IMP_core.Linear_get_version_info(self)
7474 __swig_destroy__ = _IMP_core.delete_Linear
7477 r"""__str__(Linear self) -> std::string"""
7478 return _IMP_core.Linear___str__(self)
7481 r"""__repr__(Linear self) -> std::string"""
7482 return _IMP_core.Linear___repr__(self)
7486 return _object_cast_to_Linear(o)
7489 def _get_as_binary(self):
7490 r"""_get_as_binary(Linear self) -> PyObject *"""
7491 return _IMP_core.Linear__get_as_binary(self)
7493 def _set_from_binary(self, p):
7494 r"""_set_from_binary(Linear self, PyObject * p)"""
7495 return _IMP_core.Linear__set_from_binary(self, p)
7497 def __getstate__(self):
7498 p = self._get_as_binary()
7499 if len(self.__dict__) > 1:
7500 d = self.__dict__.copy()
7505 def __setstate__(self, p):
7506 if not hasattr(self,
'this'):
7508 if isinstance(p, tuple):
7510 self.__dict__.update(d)
7511 return self._set_from_binary(p)
7515 def score(val, slope, offset):
7516 return (val - offset) * slope
7517 return functools.partial(score, slope=self.get_slope(),
7518 offset=self.get_offset())
7522 _IMP_core.Linear_swigregister(Linear)
7523 class LogNormalMover(MonteCarloMover):
7524 r"""Proxy of C++ IMP::core::LogNormalMover class."""
7526 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7528 def __init__(self, *args):
7530 __init__(LogNormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> LogNormalMover
7531 __init__(LogNormalMover self, Model m, ParticleIndex pi, double stddev) -> LogNormalMover
7532 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> LogNormalMover
7533 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> LogNormalMover
7534 __init__(LogNormalMover self) -> LogNormalMover
7536 _IMP_core.LogNormalMover_swiginit(self, _IMP_core.new_LogNormalMover(*args))
7538 def set_sigma(self, sigma):
7539 r"""set_sigma(LogNormalMover self, IMP::Float sigma)"""
7540 return _IMP_core.LogNormalMover_set_sigma(self, sigma)
7542 def get_sigma(self):
7543 r"""get_sigma(LogNormalMover self) -> IMP::Float"""
7544 return _IMP_core.LogNormalMover_get_sigma(self)
7546 def get_version_info(self):
7547 r"""get_version_info(LogNormalMover self) -> VersionInfo"""
7548 return _IMP_core.LogNormalMover_get_version_info(self)
7549 __swig_destroy__ = _IMP_core.delete_LogNormalMover
7552 r"""__str__(LogNormalMover self) -> std::string"""
7553 return _IMP_core.LogNormalMover___str__(self)
7556 r"""__repr__(LogNormalMover self) -> std::string"""
7557 return _IMP_core.LogNormalMover___repr__(self)
7561 return _object_cast_to_LogNormalMover(o)
7564 def _get_as_binary(self):
7565 r"""_get_as_binary(LogNormalMover self) -> PyObject *"""
7566 return _IMP_core.LogNormalMover__get_as_binary(self)
7568 def _set_from_binary(self, p):
7569 r"""_set_from_binary(LogNormalMover self, PyObject * p)"""
7570 return _IMP_core.LogNormalMover__set_from_binary(self, p)
7572 def __getstate__(self):
7573 p = self._get_as_binary()
7574 if len(self.__dict__) > 1:
7575 d = self.__dict__.copy()
7580 def __setstate__(self, p):
7581 if not hasattr(self,
'this'):
7583 if isinstance(p, tuple):
7585 self.__dict__.update(d)
7586 return self._set_from_binary(p)
7590 _IMP_core.LogNormalMover_swigregister(LogNormalMover)
7591 IMP_CORE_HAS_MONTE_CARLO_MOVER = _IMP_core.IMP_CORE_HAS_MONTE_CARLO_MOVER
7594 r"""Proxy of C++ IMP::core::MonteCarlo class."""
7596 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7598 def __init__(self, m):
7599 r"""__init__(MonteCarlo self, Model m) -> MonteCarlo"""
7600 _IMP_core.MonteCarlo_swiginit(self, _IMP_core.new_MonteCarlo(m))
7602 def get_version_info(self):
7603 r"""get_version_info(MonteCarlo self) -> VersionInfo"""
7604 return _IMP_core.MonteCarlo_get_version_info(self)
7605 __swig_destroy__ = _IMP_core.delete_MonteCarlo
7607 def set_return_best(self, tf):
7608 r"""set_return_best(MonteCarlo self, bool tf)"""
7609 return _IMP_core.MonteCarlo_set_return_best(self, tf)
7611 def get_return_best(self):
7612 r"""get_return_best(MonteCarlo self) -> bool"""
7613 return _IMP_core.MonteCarlo_get_return_best(self)
7615 def set_score_moved(self, mv):
7616 r"""set_score_moved(MonteCarlo self, bool mv)"""
7617 return _IMP_core.MonteCarlo_set_score_moved(self, mv)
7619 def set_kt(self, t):
7620 r"""set_kt(MonteCarlo self, IMP::Float t)"""
7621 return _IMP_core.MonteCarlo_set_kt(self, t)
7624 r"""get_kt(MonteCarlo self) -> IMP::Float"""
7625 return _IMP_core.MonteCarlo_get_kt(self)
7627 def get_last_accepted_energy(self):
7628 r"""get_last_accepted_energy(MonteCarlo self) -> double"""
7629 return _IMP_core.MonteCarlo_get_last_accepted_energy(self)
7631 def set_last_accepted_energy(self, energy):
7632 r"""set_last_accepted_energy(MonteCarlo self, double energy)"""
7633 return _IMP_core.MonteCarlo_set_last_accepted_energy(self, energy)
7635 def get_best_accepted_energy(self):
7636 r"""get_best_accepted_energy(MonteCarlo self) -> double"""
7637 return _IMP_core.MonteCarlo_get_best_accepted_energy(self)
7639 def set_best_accepted_energy(self, energy):
7640 r"""set_best_accepted_energy(MonteCarlo self, double energy)"""
7641 return _IMP_core.MonteCarlo_set_best_accepted_energy(self, energy)
7643 def get_number_of_downward_steps(self):
7644 r"""get_number_of_downward_steps(MonteCarlo self) -> unsigned int"""
7645 return _IMP_core.MonteCarlo_get_number_of_downward_steps(self)
7647 def get_number_of_upward_steps(self):
7648 r"""get_number_of_upward_steps(MonteCarlo self) -> unsigned int"""
7649 return _IMP_core.MonteCarlo_get_number_of_upward_steps(self)
7651 def get_number_of_proposed_steps(self):
7652 r"""get_number_of_proposed_steps(MonteCarlo self) -> unsigned int"""
7653 return _IMP_core.MonteCarlo_get_number_of_proposed_steps(self)
7655 def get_number_of_accepted_steps(self):
7656 r"""get_number_of_accepted_steps(MonteCarlo self) -> unsigned int"""
7657 return _IMP_core.MonteCarlo_get_number_of_accepted_steps(self)
7659 def set_number_of_downward_steps(self, nsteps):
7660 r"""set_number_of_downward_steps(MonteCarlo self, unsigned int nsteps)"""
7661 return _IMP_core.MonteCarlo_set_number_of_downward_steps(self, nsteps)
7663 def set_number_of_upward_steps(self, nsteps):
7664 r"""set_number_of_upward_steps(MonteCarlo self, unsigned int nsteps)"""
7665 return _IMP_core.MonteCarlo_set_number_of_upward_steps(self, nsteps)
7667 def set_number_of_rejected_steps(self, nsteps):
7668 r"""set_number_of_rejected_steps(MonteCarlo self, unsigned int nsteps)"""
7669 return _IMP_core.MonteCarlo_set_number_of_rejected_steps(self, nsteps)
7671 def reset_statistics(self):
7672 r"""reset_statistics(MonteCarlo self)"""
7673 return _IMP_core.MonteCarlo_reset_statistics(self)
7675 def set_score_threshold(self, s):
7676 r"""set_score_threshold(MonteCarlo self, double s)"""
7677 return _IMP_core.MonteCarlo_set_score_threshold(self, s)
7679 def get_score_threshold(self):
7680 r"""get_score_threshold(MonteCarlo self) -> double"""
7681 return _IMP_core.MonteCarlo_get_score_threshold(self)
7683 def set_maximum_difference(self, d):
7684 r"""set_maximum_difference(MonteCarlo self, double d)"""
7685 return _IMP_core.MonteCarlo_set_maximum_difference(self, d)
7687 def get_maximum_difference(self):
7688 r"""get_maximum_difference(MonteCarlo self) -> double"""
7689 return _IMP_core.MonteCarlo_get_maximum_difference(self)
7690 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)
7691 def __set_movers(self, obj): IMP._list_util.set_varlist(self.movers, obj)
7692 def __del_movers(self): IMP._list_util.del_varlist(self.movers)
7693 movers = property(__get_movers, __set_movers, __del_movers, doc=
"List of ##ucnames")
7695 def remove_mover(self, d):
7696 r"""remove_mover(MonteCarlo self, MonteCarloMover d)"""
7697 return _IMP_core.MonteCarlo_remove_mover(self, d)
7699 def _python_index_mover(self, d, start, stop):
7700 r"""_python_index_mover(MonteCarlo self, MonteCarloMover d, unsigned int start, unsigned int stop) -> unsigned int"""
7701 return _IMP_core.MonteCarlo__python_index_mover(self, d, start, stop)
7703 def remove_movers(self, d):
7704 r"""remove_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & d)"""
7705 return _IMP_core.MonteCarlo_remove_movers(self, d)
7707 def set_movers(self, ps):
7708 r"""set_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & ps)"""
7709 return _IMP_core.MonteCarlo_set_movers(self, ps)
7711 def set_movers_order(self, objs):
7712 r"""set_movers_order(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7713 return _IMP_core.MonteCarlo_set_movers_order(self, objs)
7715 def add_mover(self, obj):
7716 r"""add_mover(MonteCarlo self, MonteCarloMover obj) -> unsigned int"""
7717 return _IMP_core.MonteCarlo_add_mover(self, obj)
7719 def add_movers(self, objs):
7720 r"""add_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7721 return _IMP_core.MonteCarlo_add_movers(self, objs)
7723 def clear_movers(self):
7724 r"""clear_movers(MonteCarlo self)"""
7725 return _IMP_core.MonteCarlo_clear_movers(self)
7727 def get_number_of_movers(self):
7728 r"""get_number_of_movers(MonteCarlo self) -> unsigned int"""
7729 return _IMP_core.MonteCarlo_get_number_of_movers(self)
7731 def get_has_movers(self):
7732 r"""get_has_movers(MonteCarlo self) -> bool"""
7733 return _IMP_core.MonteCarlo_get_has_movers(self)
7735 def get_mover(self, i):
7736 r"""get_mover(MonteCarlo self, unsigned int i) -> MonteCarloMover"""
7737 return _IMP_core.MonteCarlo_get_mover(self, i)
7739 def get_movers(self):
7740 r"""get_movers(MonteCarlo self) -> IMP::core::MonteCarloMovers"""
7741 return _IMP_core.MonteCarlo_get_movers(self)
7743 def erase_mover(self, i):
7744 r"""erase_mover(MonteCarlo self, unsigned int i)"""
7745 return _IMP_core.MonteCarlo_erase_mover(self, i)
7747 def reserve_movers(self, sz):
7748 r"""reserve_movers(MonteCarlo self, unsigned int sz)"""
7749 return _IMP_core.MonteCarlo_reserve_movers(self, sz)
7752 r"""__str__(MonteCarlo self) -> std::string"""
7753 return _IMP_core.MonteCarlo___str__(self)
7756 r"""__repr__(MonteCarlo self) -> std::string"""
7757 return _IMP_core.MonteCarlo___repr__(self)
7761 return _object_cast_to_MonteCarlo(o)
7765 from IMP.core._jax_util
import _MCJAXInfo
7766 return _MCJAXInfo(self)
7768 def _get_jax_optimizer(self, max_steps):
7769 import IMP.core._jax_util
7770 return IMP.core._jax_util._MCJAXOptimizer(self, max_steps)
7772 def _optimize_jax(self, max_steps):
7773 opt = self._get_jax_optimizer(max_steps)
7774 score, mc_state = opt.optimize(opt.get_initial_state())
7779 _IMP_core.MonteCarlo_swigregister(MonteCarlo)
7780 class MonteCarloWithLocalOptimization(MonteCarlo):
7781 r"""Proxy of C++ IMP::core::MonteCarloWithLocalOptimization class."""
7783 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7785 def __init__(self, opt, steps):
7786 r"""__init__(MonteCarloWithLocalOptimization self, Optimizer opt, unsigned int steps) -> MonteCarloWithLocalOptimization"""
7787 _IMP_core.MonteCarloWithLocalOptimization_swiginit(self, _IMP_core.new_MonteCarloWithLocalOptimization(opt, steps))
7789 def get_number_of_steps(self):
7790 r"""get_number_of_steps(MonteCarloWithLocalOptimization self) -> unsigned int"""
7791 return _IMP_core.MonteCarloWithLocalOptimization_get_number_of_steps(self)
7793 def get_local_optimizer(self):
7794 r"""get_local_optimizer(MonteCarloWithLocalOptimization self) -> Optimizer"""
7795 return _IMP_core.MonteCarloWithLocalOptimization_get_local_optimizer(self)
7796 __swig_destroy__ = _IMP_core.delete_MonteCarloWithLocalOptimization
7799 r"""__str__(MonteCarloWithLocalOptimization self) -> std::string"""
7800 return _IMP_core.MonteCarloWithLocalOptimization___str__(self)
7803 r"""__repr__(MonteCarloWithLocalOptimization self) -> std::string"""
7804 return _IMP_core.MonteCarloWithLocalOptimization___repr__(self)
7808 return _object_cast_to_MonteCarloWithLocalOptimization(o)
7812 _IMP_core.MonteCarloWithLocalOptimization_swigregister(MonteCarloWithLocalOptimization)
7813 class MonteCarloWithBasinHopping(MonteCarloWithLocalOptimization):
7814 r"""Proxy of C++ IMP::core::MonteCarloWithBasinHopping class."""
7816 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7818 def __init__(self, opt, ns):
7819 r"""__init__(MonteCarloWithBasinHopping self, Optimizer opt, unsigned int ns) -> MonteCarloWithBasinHopping"""
7820 _IMP_core.MonteCarloWithBasinHopping_swiginit(self, _IMP_core.new_MonteCarloWithBasinHopping(opt, ns))
7821 __swig_destroy__ = _IMP_core.delete_MonteCarloWithBasinHopping
7824 r"""__str__(MonteCarloWithBasinHopping self) -> std::string"""
7825 return _IMP_core.MonteCarloWithBasinHopping___str__(self)
7828 r"""__repr__(MonteCarloWithBasinHopping self) -> std::string"""
7829 return _IMP_core.MonteCarloWithBasinHopping___repr__(self)
7833 return _object_cast_to_MonteCarloWithBasinHopping(o)
7837 _IMP_core.MonteCarloWithBasinHopping_swigregister(MonteCarloWithBasinHopping)
7839 r"""Proxy of C++ IMP::core::NeighborsTable class."""
7841 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7843 def __init__(self, *args):
7844 r"""__init__(NeighborsTable self, PairContainer input, std::string name="CloseNeighborsTable%1%") -> NeighborsTable"""
7845 _IMP_core.NeighborsTable_swiginit(self, _IMP_core.new_NeighborsTable(*args))
7847 def get_neighbors(self, pi):
7848 r"""get_neighbors(NeighborsTable self, ParticleIndex pi) -> IMP::ParticleIndexes const &"""
7849 return _IMP_core.NeighborsTable_get_neighbors(self, pi)
7851 def get_version_info(self):
7852 r"""get_version_info(NeighborsTable self) -> VersionInfo"""
7853 return _IMP_core.NeighborsTable_get_version_info(self)
7854 __swig_destroy__ = _IMP_core.delete_NeighborsTable
7857 r"""__str__(NeighborsTable self) -> std::string"""
7858 return _IMP_core.NeighborsTable___str__(self)
7861 r"""__repr__(NeighborsTable self) -> std::string"""
7862 return _IMP_core.NeighborsTable___repr__(self)
7866 return _object_cast_to_NeighborsTable(o)
7870 _IMP_core.NeighborsTable_swigregister(NeighborsTable)
7871 class NormalMover(MonteCarloMover):
7872 r"""Proxy of C++ IMP::core::NormalMover class."""
7874 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7876 def __init__(self, *args):
7878 __init__(NormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> NormalMover
7879 __init__(NormalMover self, Model m, ParticleIndex pi, double stddev) -> NormalMover
7880 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> NormalMover
7881 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> NormalMover
7882 __init__(NormalMover self) -> NormalMover
7884 _IMP_core.NormalMover_swiginit(self, _IMP_core.new_NormalMover(*args))
7886 def set_sigma(self, sigma):
7887 r"""set_sigma(NormalMover self, IMP::Float sigma)"""
7888 return _IMP_core.NormalMover_set_sigma(self, sigma)
7890 def get_sigma(self):
7891 r"""get_sigma(NormalMover self) -> IMP::Float"""
7892 return _IMP_core.NormalMover_get_sigma(self)
7894 def get_version_info(self):
7895 r"""get_version_info(NormalMover self) -> VersionInfo"""
7896 return _IMP_core.NormalMover_get_version_info(self)
7897 __swig_destroy__ = _IMP_core.delete_NormalMover
7900 r"""__str__(NormalMover self) -> std::string"""
7901 return _IMP_core.NormalMover___str__(self)
7904 r"""__repr__(NormalMover self) -> std::string"""
7905 return _IMP_core.NormalMover___repr__(self)
7909 return _object_cast_to_NormalMover(o)
7912 def _get_as_binary(self):
7913 r"""_get_as_binary(NormalMover self) -> PyObject *"""
7914 return _IMP_core.NormalMover__get_as_binary(self)
7916 def _set_from_binary(self, p):
7917 r"""_set_from_binary(NormalMover self, PyObject * p)"""
7918 return _IMP_core.NormalMover__set_from_binary(self, p)
7920 def __getstate__(self):
7921 p = self._get_as_binary()
7922 if len(self.__dict__) > 1:
7923 d = self.__dict__.copy()
7928 def __setstate__(self, p):
7929 if not hasattr(self,
'this'):
7931 if isinstance(p, tuple):
7933 self.__dict__.update(d)
7934 return self._set_from_binary(p)
7938 _IMP_core.NormalMover_swigregister(NormalMover)
7939 class OpenCubicSpline(_OpenCubicSplineBase):
7940 r"""Proxy of C++ IMP::core::OpenCubicSpline class."""
7942 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7944 def __init__(self, values, minrange, spacing, extend=False):
7945 r"""__init__(OpenCubicSpline self, IMP::Floats const & values, IMP::Float minrange, IMP::Float spacing, bool extend=False) -> OpenCubicSpline"""
7946 _IMP_core.OpenCubicSpline_swiginit(self, _IMP_core.new_OpenCubicSpline(values, minrange, spacing, extend))
7948 def get_minrange(self):
7949 r"""get_minrange(OpenCubicSpline self) -> IMP::Float"""
7950 return _IMP_core.OpenCubicSpline_get_minrange(self)
7952 def get_spacing(self):
7953 r"""get_spacing(OpenCubicSpline self) -> IMP::Float"""
7954 return _IMP_core.OpenCubicSpline_get_spacing(self)
7956 def get_values(self):
7957 r"""get_values(OpenCubicSpline self) -> IMP::Floats"""
7958 return _IMP_core.OpenCubicSpline_get_values(self)
7960 def get_extend(self):
7961 r"""get_extend(OpenCubicSpline self) -> bool"""
7962 return _IMP_core.OpenCubicSpline_get_extend(self)
7964 def get_second_derivatives(self):
7965 r"""get_second_derivatives(OpenCubicSpline self) -> IMP::Floats"""
7966 return _IMP_core.OpenCubicSpline_get_second_derivatives(self)
7969 r"""__str__(OpenCubicSpline self) -> std::string"""
7970 return _IMP_core.OpenCubicSpline___str__(self)
7973 r"""__repr__(OpenCubicSpline self) -> std::string"""
7974 return _IMP_core.OpenCubicSpline___repr__(self)
7978 return _object_cast_to_OpenCubicSpline(o)
7982 import jax.numpy
as jnp
7983 from IMP.core._jax_util
import _spline
7984 def score(feature, minrange, maxrange, spacing, values, second_derivs):
7986 feature = jnp.clip(feature, minrange, maxrange)
7988 lowbin = jnp.array((feature - minrange) / spacing, dtype=int)
7989 return _spline(feature, minrange, lowbin, lowbin + 1, spacing,
7990 values, second_derivs)
7991 spacing = self.get_spacing()
7992 minrange = self.get_minrange()
7993 values = jnp.asarray(self.get_values())
7994 maxrange = minrange + spacing * (len(values) - 1)
7995 return functools.partial(
7996 score, minrange=minrange, maxrange=maxrange,
7997 spacing=spacing, values=values,
7998 second_derivs=jnp.asarray(self.get_second_derivatives()))
8000 __swig_destroy__ = _IMP_core.delete_OpenCubicSpline
8003 _IMP_core.OpenCubicSpline_swigregister(OpenCubicSpline)
8004 class QuadraticClosePairsFinder(ClosePairsFinder):
8005 r"""Proxy of C++ IMP::core::QuadraticClosePairsFinder class."""
8007 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8010 r"""__init__(QuadraticClosePairsFinder self) -> QuadraticClosePairsFinder"""
8011 _IMP_core.QuadraticClosePairsFinder_swiginit(self, _IMP_core.new_QuadraticClosePairsFinder())
8013 def get_are_close_and_filtered(self, *args):
8015 get_are_close_and_filtered(QuadraticClosePairsFinder self, Particle a, Particle b) -> bool
8016 get_are_close_and_filtered(QuadraticClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b) -> bool
8018 return _IMP_core.QuadraticClosePairsFinder_get_are_close_and_filtered(self, *args)
8020 def get_close_pairs(self, *args):
8022 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
8023 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
8024 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
8025 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
8027 return _IMP_core.QuadraticClosePairsFinder_get_close_pairs(self, *args)
8029 def do_get_inputs(self, m, pis):
8030 r"""do_get_inputs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8031 return _IMP_core.QuadraticClosePairsFinder_do_get_inputs(self, m, pis)
8033 def get_version_info(self):
8034 r"""get_version_info(QuadraticClosePairsFinder self) -> VersionInfo"""
8035 return _IMP_core.QuadraticClosePairsFinder_get_version_info(self)
8036 __swig_destroy__ = _IMP_core.delete_QuadraticClosePairsFinder
8039 r"""__str__(QuadraticClosePairsFinder self) -> std::string"""
8040 return _IMP_core.QuadraticClosePairsFinder___str__(self)
8043 r"""__repr__(QuadraticClosePairsFinder self) -> std::string"""
8044 return _IMP_core.QuadraticClosePairsFinder___repr__(self)
8048 return _object_cast_to_QuadraticClosePairsFinder(o)
8052 _IMP_core.QuadraticClosePairsFinder_swigregister(QuadraticClosePairsFinder)
8054 r"""Proxy of C++ IMP::core::RefinedPairsPairScore class."""
8056 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8058 def __init__(self, r, f):
8059 r"""__init__(RefinedPairsPairScore self, Refiner r, PairScore f) -> RefinedPairsPairScore"""
8060 _IMP_core.RefinedPairsPairScore_swiginit(self, _IMP_core.new_RefinedPairsPairScore(r, f))
8062 def do_get_inputs(self, m, pis):
8063 r"""do_get_inputs(RefinedPairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
8064 return _IMP_core.RefinedPairsPairScore_do_get_inputs(self, m, pis)
8066 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
8067 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"""
8068 return _IMP_core.RefinedPairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
8070 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
8071 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"""
8072 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
8074 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
8075 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"""
8076 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
8078 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8079 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"""
8080 return _IMP_core.RefinedPairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
8082 def get_version_info(self):
8083 r"""get_version_info(RefinedPairsPairScore self) -> VersionInfo"""
8084 return _IMP_core.RefinedPairsPairScore_get_version_info(self)
8085 __swig_destroy__ = _IMP_core.delete_RefinedPairsPairScore
8088 r"""__str__(RefinedPairsPairScore self) -> std::string"""
8089 return _IMP_core.RefinedPairsPairScore___str__(self)
8092 r"""__repr__(RefinedPairsPairScore self) -> std::string"""
8093 return _IMP_core.RefinedPairsPairScore___repr__(self)
8097 return _object_cast_to_RefinedPairsPairScore(o)
8101 _IMP_core.RefinedPairsPairScore_swigregister(RefinedPairsPairScore)
8102 class RigidBody(XYZ):
8103 r"""Proxy of C++ IMP::core::RigidBody class."""
8105 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8107 def get_rigid_members(self):
8108 r"""get_rigid_members(RigidBody self) -> IMP::core::RigidMembers"""
8109 return _IMP_core.RigidBody_get_rigid_members(self)
8112 def get_rotation_keys():
8113 r"""get_rotation_keys() -> IMP::FloatKeys"""
8114 return _IMP_core.RigidBody_get_rotation_keys()
8116 def get_member_particle_indexes(self):
8117 r"""get_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
8118 return _IMP_core.RigidBody_get_member_particle_indexes(self)
8120 def get_body_member_particle_indexes(self):
8121 r"""get_body_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
8122 return _IMP_core.RigidBody_get_body_member_particle_indexes(self)
8124 def get_member_indexes(self):
8125 r"""get_member_indexes(RigidBody self) -> IMP::ParticleIndexes"""
8126 return _IMP_core.RigidBody_get_member_indexes(self)
8128 def show(self, *args):
8129 r"""show(RigidBody self, _ostream out=std::cout)"""
8130 return _IMP_core.RigidBody_show(self, *args)
8133 def setup_particle(*args):
8135 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor ps) -> RigidBody
8136 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor ps) -> RigidBody
8137 setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf) -> RigidBody
8138 setup_particle(_ParticleAdaptor pa, ReferenceFrame3D rf) -> RigidBody
8140 return _IMP_core.RigidBody_setup_particle(*args)
8143 def teardown_particle(rb):
8144 r"""teardown_particle(RigidBody rb)"""
8145 return _IMP_core.RigidBody_teardown_particle(rb)
8147 def __init__(self, *args):
8149 __init__(RigidBody self) -> RigidBody
8150 __init__(RigidBody self, Model m, ParticleIndex id) -> RigidBody
8151 __init__(RigidBody self, _ParticleAdaptor d) -> RigidBody
8152 __init__(RigidBody self, RigidBody arg2) -> RigidBody
8154 _IMP_core.RigidBody_swiginit(self, _IMP_core.new_RigidBody(*args))
8155 __swig_destroy__ = _IMP_core.delete_RigidBody
8158 def get_is_setup(*args):
8160 get_is_setup(_ParticleAdaptor p) -> bool
8161 get_is_setup(Model m, ParticleIndex pi) -> bool
8163 return _IMP_core.RigidBody_get_is_setup(*args)
8165 def get_coordinates(self):
8166 r"""get_coordinates(RigidBody self) -> Vector3D"""
8167 return _IMP_core.RigidBody_get_coordinates(self)
8169 def get_rotation(self):
8170 r"""get_rotation(RigidBody self) -> Rotation3D"""
8171 return _IMP_core.RigidBody_get_rotation(self)
8173 def get_reference_frame(self):
8174 r"""get_reference_frame(RigidBody self) -> ReferenceFrame3D"""
8175 return _IMP_core.RigidBody_get_reference_frame(self)
8177 def set_reference_frame(self, tr):
8178 r"""set_reference_frame(RigidBody self, ReferenceFrame3D tr)"""
8179 return _IMP_core.RigidBody_set_reference_frame(self, tr)
8181 def set_reference_frame_lazy(self, tr):
8182 r"""set_reference_frame_lazy(RigidBody self, ReferenceFrame3D tr)"""
8183 return _IMP_core.RigidBody_set_reference_frame_lazy(self, tr)
8185 def set_reference_frame_from_members(self, members):
8186 r"""set_reference_frame_from_members(RigidBody self, IMP::ParticleIndexes const & members)"""
8187 return _IMP_core.RigidBody_set_reference_frame_from_members(self, members)
8189 def pull_back_members_adjoints(self, da):
8190 r"""pull_back_members_adjoints(RigidBody self, DerivativeAccumulator da)"""
8191 return _IMP_core.RigidBody_pull_back_members_adjoints(self, da)
8193 def pull_back_member_adjoints(self, pi, da):
8194 r"""pull_back_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8195 return _IMP_core.RigidBody_pull_back_member_adjoints(self, pi, da)
8197 def pull_back_body_member_adjoints(self, pi, da):
8198 r"""pull_back_body_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8199 return _IMP_core.RigidBody_pull_back_body_member_adjoints(self, pi, da)
8201 def add_to_derivatives(self, *args):
8203 add_to_derivatives(RigidBody self, Vector3D local_derivative, Vector3D local_location, DerivativeAccumulator da)
8204 add_to_derivatives(RigidBody self, Vector3D local_derivative, Vector3D global_derivative, Vector3D local_location, Rotation3D rot_local_to_global, DerivativeAccumulator da)
8206 return _IMP_core.RigidBody_add_to_derivatives(self, *args)
8208 def add_to_rotational_derivatives(self, *args):
8210 add_to_rotational_derivatives(RigidBody self, Vector4D other_qderiv, Rotation3D rot_other_to_local, Rotation3D rot_local_to_global, DerivativeAccumulator da)
8211 add_to_rotational_derivatives(RigidBody self, Vector4D qderiv, DerivativeAccumulator da)
8213 return _IMP_core.RigidBody_add_to_rotational_derivatives(self, *args)
8215 def add_to_torque(self, torque_local, da):
8216 r"""add_to_torque(RigidBody self, Vector3D torque_local, DerivativeAccumulator da)"""
8217 return _IMP_core.RigidBody_add_to_torque(self, torque_local, da)
8219 def get_torque(self):
8220 r"""get_torque(RigidBody self) -> Vector3D"""
8221 return _IMP_core.RigidBody_get_torque(self)
8223 def get_coordinates_are_optimized(self):
8224 r"""get_coordinates_are_optimized(RigidBody self) -> bool"""
8225 return _IMP_core.RigidBody_get_coordinates_are_optimized(self)
8227 def set_coordinates_are_optimized(self, tf):
8228 r"""set_coordinates_are_optimized(RigidBody self, bool tf)"""
8229 return _IMP_core.RigidBody_set_coordinates_are_optimized(self, tf)
8231 def normalize_rotation(self):
8232 r"""normalize_rotation(RigidBody self)"""
8233 return _IMP_core.RigidBody_normalize_rotation(self)
8235 def update_members(self):
8236 r"""update_members(RigidBody self)"""
8237 return _IMP_core.RigidBody_update_members(self)
8239 def get_rotational_derivatives(self):
8240 r"""get_rotational_derivatives(RigidBody self) -> Vector4D"""
8241 return _IMP_core.RigidBody_get_rotational_derivatives(self)
8243 def get_number_of_members(self):
8244 r"""get_number_of_members(RigidBody self) -> unsigned int"""
8245 return _IMP_core.RigidBody_get_number_of_members(self)
8247 def get_member(self, i):
8248 r"""get_member(RigidBody self, unsigned int i) -> RigidBodyMember"""
8249 return _IMP_core.RigidBody_get_member(self, i)
8251 def add_member(self, p):
8252 r"""add_member(RigidBody self, _ParticleIndexAdaptor p)"""
8253 return _IMP_core.RigidBody_add_member(self, p)
8255 def add_non_rigid_member(self, p):
8256 r"""add_non_rigid_member(RigidBody self, _ParticleIndexAdaptor p)"""
8257 return _IMP_core.RigidBody_add_non_rigid_member(self, p)
8259 def set_is_rigid_member(self, pi, tf):
8260 r"""set_is_rigid_member(RigidBody self, ParticleIndex pi, bool tf)"""
8261 return _IMP_core.RigidBody_set_is_rigid_member(self, pi, tf)
8263 def remove_member(self, p):
8264 r"""remove_member(RigidBody self, _ParticleIndexAdaptor p)"""
8265 return _IMP_core.RigidBody_remove_member(self, p)
8267 def add_attribute(self, *args):
8269 add_attribute(RigidBody self, FloatKey k, IMP::Float v, bool opt)
8270 add_attribute(RigidBody self, FloatKey a0, IMP::Float a1)
8271 add_attribute(RigidBody self, IntKey a0, IMP::Int a1)
8272 add_attribute(RigidBody self, FloatsKey a0, IMP::Floats a1)
8273 add_attribute(RigidBody self, IntsKey a0, IMP::Ints a1)
8274 add_attribute(RigidBody self, StringKey a0, IMP::String a1)
8275 add_attribute(RigidBody self, ParticleIndexKey a0, Particle a1)
8276 add_attribute(RigidBody self, ObjectKey a0, Object a1)
8277 add_attribute(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8278 add_attribute(RigidBody self, SparseIntKey a0, IMP::Int a1)
8279 add_attribute(RigidBody self, SparseStringKey a0, IMP::String a1)
8280 add_attribute(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8282 return _IMP_core.RigidBody_add_attribute(self, *args)
8284 def get_value(self, *args):
8286 get_value(RigidBody self, FloatKey a0) -> IMP::Float
8287 get_value(RigidBody self, IntKey a0) -> IMP::Int
8288 get_value(RigidBody self, FloatsKey a0) -> IMP::Floats
8289 get_value(RigidBody self, IntsKey a0) -> IMP::Ints
8290 get_value(RigidBody self, StringKey a0) -> IMP::String
8291 get_value(RigidBody self, ParticleIndexKey a0) -> Particle
8292 get_value(RigidBody self, ObjectKey a0) -> Object
8293 get_value(RigidBody self, SparseFloatKey a0) -> IMP::Float
8294 get_value(RigidBody self, SparseIntKey a0) -> IMP::Int
8295 get_value(RigidBody self, SparseStringKey a0) -> IMP::String
8296 get_value(RigidBody self, SparseParticleIndexKey a0) -> ParticleIndex
8298 return _IMP_core.RigidBody_get_value(self, *args)
8300 def set_value(self, *args):
8302 set_value(RigidBody self, FloatKey a0, IMP::Float a1)
8303 set_value(RigidBody self, IntKey a0, IMP::Int a1)
8304 set_value(RigidBody self, FloatsKey a0, IMP::Floats a1)
8305 set_value(RigidBody self, IntsKey a0, IMP::Ints a1)
8306 set_value(RigidBody self, StringKey a0, IMP::String a1)
8307 set_value(RigidBody self, ParticleIndexKey a0, Particle a1)
8308 set_value(RigidBody self, ObjectKey a0, Object a1)
8309 set_value(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8310 set_value(RigidBody self, SparseIntKey a0, IMP::Int a1)
8311 set_value(RigidBody self, SparseStringKey a0, IMP::String a1)
8312 set_value(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8314 return _IMP_core.RigidBody_set_value(self, *args)
8316 def remove_attribute(self, *args):
8318 remove_attribute(RigidBody self, FloatKey a0)
8319 remove_attribute(RigidBody self, IntKey a0)
8320 remove_attribute(RigidBody self, FloatsKey a0)
8321 remove_attribute(RigidBody self, IntsKey a0)
8322 remove_attribute(RigidBody self, StringKey a0)
8323 remove_attribute(RigidBody self, ParticleIndexKey a0)
8324 remove_attribute(RigidBody self, ObjectKey a0)
8325 remove_attribute(RigidBody self, SparseFloatKey a0)
8326 remove_attribute(RigidBody self, SparseIntKey a0)
8327 remove_attribute(RigidBody self, SparseStringKey a0)
8328 remove_attribute(RigidBody self, SparseParticleIndexKey a0)
8330 return _IMP_core.RigidBody_remove_attribute(self, *args)
8332 def has_attribute(self, *args):
8334 has_attribute(RigidBody self, FloatKey a0) -> bool
8335 has_attribute(RigidBody self, IntKey a0) -> bool
8336 has_attribute(RigidBody self, FloatsKey a0) -> bool
8337 has_attribute(RigidBody self, IntsKey a0) -> bool
8338 has_attribute(RigidBody self, StringKey a0) -> bool
8339 has_attribute(RigidBody self, ParticleIndexKey a0) -> bool
8340 has_attribute(RigidBody self, ObjectKey a0) -> bool
8341 has_attribute(RigidBody self, SparseFloatKey a0) -> bool
8342 has_attribute(RigidBody self, SparseIntKey a0) -> bool
8343 has_attribute(RigidBody self, SparseStringKey a0) -> bool
8344 has_attribute(RigidBody self, SparseParticleIndexKey a0) -> bool
8346 return _IMP_core.RigidBody_has_attribute(self, *args)
8348 def get_derivative(self, a0):
8349 r"""get_derivative(RigidBody self, FloatKey a0) -> double"""
8350 return _IMP_core.RigidBody_get_derivative(self, a0)
8353 r"""get_name(RigidBody self) -> std::string"""
8354 return _IMP_core.RigidBody_get_name(self)
8356 def clear_caches(self):
8357 r"""clear_caches(RigidBody self)"""
8358 return _IMP_core.RigidBody_clear_caches(self)
8360 def set_name(self, a0):
8361 r"""set_name(RigidBody self, std::string a0)"""
8362 return _IMP_core.RigidBody_set_name(self, a0)
8365 r"""set_check_level(RigidBody self, IMP::CheckLevel a0)"""
8366 return _IMP_core.RigidBody_set_check_level(self, a0)
8368 def add_to_derivative(self, a0, a1, a2):
8369 r"""add_to_derivative(RigidBody self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8370 return _IMP_core.RigidBody_add_to_derivative(self, a0, a1, a2)
8372 def set_is_optimized(self, a0, a1):
8373 r"""set_is_optimized(RigidBody self, FloatKey a0, bool a1)"""
8374 return _IMP_core.RigidBody_set_is_optimized(self, a0, a1)
8376 def get_is_optimized(self, a0):
8377 r"""get_is_optimized(RigidBody self, FloatKey a0) -> bool"""
8378 return _IMP_core.RigidBody_get_is_optimized(self, a0)
8381 r"""get_check_level(RigidBody self) -> IMP::CheckLevel"""
8382 return _IMP_core.RigidBody_get_check_level(self)
8384 def __eq__(self, *args):
8386 __eq__(RigidBody self, RigidBody o) -> bool
8387 __eq__(RigidBody self, Particle d) -> bool
8389 return _IMP_core.RigidBody___eq__(self, *args)
8391 def __ne__(self, *args):
8393 __ne__(RigidBody self, RigidBody o) -> bool
8394 __ne__(RigidBody self, Particle d) -> bool
8396 return _IMP_core.RigidBody___ne__(self, *args)
8398 def __le__(self, *args):
8400 __le__(RigidBody self, RigidBody o) -> bool
8401 __le__(RigidBody self, Particle d) -> bool
8403 return _IMP_core.RigidBody___le__(self, *args)
8405 def __lt__(self, *args):
8407 __lt__(RigidBody self, RigidBody o) -> bool
8408 __lt__(RigidBody self, Particle d) -> bool
8410 return _IMP_core.RigidBody___lt__(self, *args)
8412 def __ge__(self, *args):
8414 __ge__(RigidBody self, RigidBody o) -> bool
8415 __ge__(RigidBody self, Particle d) -> bool
8417 return _IMP_core.RigidBody___ge__(self, *args)
8419 def __gt__(self, *args):
8421 __gt__(RigidBody self, RigidBody o) -> bool
8422 __gt__(RigidBody self, Particle d) -> bool
8424 return _IMP_core.RigidBody___gt__(self, *args)
8427 r"""__hash__(RigidBody self) -> std::size_t"""
8428 return _IMP_core.RigidBody___hash__(self)
8431 r"""__str__(RigidBody self) -> std::string"""
8432 return _IMP_core.RigidBody___str__(self)
8435 r"""__repr__(RigidBody self) -> std::string"""
8436 return _IMP_core.RigidBody___repr__(self)
8438 def _get_as_binary(self):
8439 r"""_get_as_binary(RigidBody self) -> PyObject *"""
8440 return _IMP_core.RigidBody__get_as_binary(self)
8442 def _set_from_binary(self, p):
8443 r"""_set_from_binary(RigidBody self, PyObject * p)"""
8444 return _IMP_core.RigidBody__set_from_binary(self, p)
8446 def __getstate__(self):
8447 p = self._get_as_binary()
8448 if len(self.__dict__) > 1:
8449 d = self.__dict__.copy()
8454 def __setstate__(self, p):
8455 if not hasattr(self,
'this'):
8457 if isinstance(p, tuple):
8459 self.__dict__.update(d)
8460 return self._set_from_binary(p)
8464 _IMP_core.RigidBody_swigregister(RigidBody)
8467 r"""add_rigid_body_cache_key(ObjectKey k)"""
8468 return _IMP_core.add_rigid_body_cache_key(k)
8469 class RigidBodyMember(XYZ):
8470 r"""Proxy of C++ IMP::core::RigidBodyMember class."""
8472 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8474 def show(self, *args):
8475 r"""show(RigidBodyMember self, _ostream out=std::cout)"""
8476 return _IMP_core.RigidBodyMember_show(self, *args)
8478 def get_rigid_body(self):
8479 r"""get_rigid_body(RigidBodyMember self) -> RigidBody"""
8480 return _IMP_core.RigidBodyMember_get_rigid_body(self)
8482 def get_internal_coordinates(self):
8483 r"""get_internal_coordinates(RigidBodyMember self) -> Vector3D"""
8484 return _IMP_core.RigidBodyMember_get_internal_coordinates(self)
8486 def set_internal_coordinates(self, v):
8487 r"""set_internal_coordinates(RigidBodyMember self, Vector3D v)"""
8488 return _IMP_core.RigidBodyMember_set_internal_coordinates(self, v)
8490 def set_internal_transformation(self, v):
8491 r"""set_internal_transformation(RigidBodyMember self, Transformation3D v)"""
8492 return _IMP_core.RigidBodyMember_set_internal_transformation(self, v)
8494 def get_internal_transformation(self):
8495 r"""get_internal_transformation(RigidBodyMember self) -> Transformation3D"""
8496 return _IMP_core.RigidBodyMember_get_internal_transformation(self)
8497 __swig_destroy__ = _IMP_core.delete_RigidBodyMember
8499 def set_coordinates(self, *args):
8501 set_coordinates(RigidBodyMember self, Vector3D center)
8502 set_coordinates(RigidBodyMember self, Transformation3D tr)
8504 return _IMP_core.RigidBodyMember_set_coordinates(self, *args)
8506 def __init__(self, *args):
8508 __init__(RigidBodyMember self) -> RigidBodyMember
8509 __init__(RigidBodyMember self, Model m, ParticleIndex id) -> RigidBodyMember
8510 __init__(RigidBodyMember self, _ParticleAdaptor d) -> RigidBodyMember
8511 __init__(RigidBodyMember self, RigidBodyMember arg2) -> RigidBodyMember
8513 _IMP_core.RigidBodyMember_swiginit(self, _IMP_core.new_RigidBodyMember(*args))
8516 def get_is_setup(*args):
8518 get_is_setup(_ParticleAdaptor p) -> bool
8519 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
8521 return _IMP_core.RigidBodyMember_get_is_setup(*args)
8524 def get_internal_coordinate_keys():
8525 r"""get_internal_coordinate_keys() -> IMP::FloatKeys"""
8526 return _IMP_core.RigidBodyMember_get_internal_coordinate_keys()
8529 def get_internal_rotation_keys():
8530 r"""get_internal_rotation_keys() -> IMP::FloatKeys"""
8531 return _IMP_core.RigidBodyMember_get_internal_rotation_keys()
8533 def add_attribute(self, *args):
8535 add_attribute(RigidBodyMember self, FloatKey k, IMP::Float v, bool opt)
8536 add_attribute(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8537 add_attribute(RigidBodyMember self, IntKey a0, IMP::Int a1)
8538 add_attribute(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8539 add_attribute(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8540 add_attribute(RigidBodyMember self, StringKey a0, IMP::String a1)
8541 add_attribute(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8542 add_attribute(RigidBodyMember self, ObjectKey a0, Object a1)
8543 add_attribute(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8544 add_attribute(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8545 add_attribute(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8546 add_attribute(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8548 return _IMP_core.RigidBodyMember_add_attribute(self, *args)
8550 def get_value(self, *args):
8552 get_value(RigidBodyMember self, FloatKey a0) -> IMP::Float
8553 get_value(RigidBodyMember self, IntKey a0) -> IMP::Int
8554 get_value(RigidBodyMember self, FloatsKey a0) -> IMP::Floats
8555 get_value(RigidBodyMember self, IntsKey a0) -> IMP::Ints
8556 get_value(RigidBodyMember self, StringKey a0) -> IMP::String
8557 get_value(RigidBodyMember self, ParticleIndexKey a0) -> Particle
8558 get_value(RigidBodyMember self, ObjectKey a0) -> Object
8559 get_value(RigidBodyMember self, SparseFloatKey a0) -> IMP::Float
8560 get_value(RigidBodyMember self, SparseIntKey a0) -> IMP::Int
8561 get_value(RigidBodyMember self, SparseStringKey a0) -> IMP::String
8562 get_value(RigidBodyMember self, SparseParticleIndexKey a0) -> ParticleIndex
8564 return _IMP_core.RigidBodyMember_get_value(self, *args)
8566 def set_value(self, *args):
8568 set_value(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8569 set_value(RigidBodyMember self, IntKey a0, IMP::Int a1)
8570 set_value(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8571 set_value(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8572 set_value(RigidBodyMember self, StringKey a0, IMP::String a1)
8573 set_value(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8574 set_value(RigidBodyMember self, ObjectKey a0, Object a1)
8575 set_value(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8576 set_value(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8577 set_value(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8578 set_value(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8580 return _IMP_core.RigidBodyMember_set_value(self, *args)
8582 def remove_attribute(self, *args):
8584 remove_attribute(RigidBodyMember self, FloatKey a0)
8585 remove_attribute(RigidBodyMember self, IntKey a0)
8586 remove_attribute(RigidBodyMember self, FloatsKey a0)
8587 remove_attribute(RigidBodyMember self, IntsKey a0)
8588 remove_attribute(RigidBodyMember self, StringKey a0)
8589 remove_attribute(RigidBodyMember self, ParticleIndexKey a0)
8590 remove_attribute(RigidBodyMember self, ObjectKey a0)
8591 remove_attribute(RigidBodyMember self, SparseFloatKey a0)
8592 remove_attribute(RigidBodyMember self, SparseIntKey a0)
8593 remove_attribute(RigidBodyMember self, SparseStringKey a0)
8594 remove_attribute(RigidBodyMember self, SparseParticleIndexKey a0)
8596 return _IMP_core.RigidBodyMember_remove_attribute(self, *args)
8598 def has_attribute(self, *args):
8600 has_attribute(RigidBodyMember self, FloatKey a0) -> bool
8601 has_attribute(RigidBodyMember self, IntKey a0) -> bool
8602 has_attribute(RigidBodyMember self, FloatsKey a0) -> bool
8603 has_attribute(RigidBodyMember self, IntsKey a0) -> bool
8604 has_attribute(RigidBodyMember self, StringKey a0) -> bool
8605 has_attribute(RigidBodyMember self, ParticleIndexKey a0) -> bool
8606 has_attribute(RigidBodyMember self, ObjectKey a0) -> bool
8607 has_attribute(RigidBodyMember self, SparseFloatKey a0) -> bool
8608 has_attribute(RigidBodyMember self, SparseIntKey a0) -> bool
8609 has_attribute(RigidBodyMember self, SparseStringKey a0) -> bool
8610 has_attribute(RigidBodyMember self, SparseParticleIndexKey a0) -> bool
8612 return _IMP_core.RigidBodyMember_has_attribute(self, *args)
8614 def get_derivative(self, a0):
8615 r"""get_derivative(RigidBodyMember self, FloatKey a0) -> double"""
8616 return _IMP_core.RigidBodyMember_get_derivative(self, a0)
8619 r"""get_name(RigidBodyMember self) -> std::string"""
8620 return _IMP_core.RigidBodyMember_get_name(self)
8622 def clear_caches(self):
8623 r"""clear_caches(RigidBodyMember self)"""
8624 return _IMP_core.RigidBodyMember_clear_caches(self)
8626 def set_name(self, a0):
8627 r"""set_name(RigidBodyMember self, std::string a0)"""
8628 return _IMP_core.RigidBodyMember_set_name(self, a0)
8631 r"""set_check_level(RigidBodyMember self, IMP::CheckLevel a0)"""
8632 return _IMP_core.RigidBodyMember_set_check_level(self, a0)
8634 def add_to_derivative(self, a0, a1, a2):
8635 r"""add_to_derivative(RigidBodyMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8636 return _IMP_core.RigidBodyMember_add_to_derivative(self, a0, a1, a2)
8638 def set_is_optimized(self, a0, a1):
8639 r"""set_is_optimized(RigidBodyMember self, FloatKey a0, bool a1)"""
8640 return _IMP_core.RigidBodyMember_set_is_optimized(self, a0, a1)
8642 def get_is_optimized(self, a0):
8643 r"""get_is_optimized(RigidBodyMember self, FloatKey a0) -> bool"""
8644 return _IMP_core.RigidBodyMember_get_is_optimized(self, a0)
8647 r"""get_check_level(RigidBodyMember self) -> IMP::CheckLevel"""
8648 return _IMP_core.RigidBodyMember_get_check_level(self)
8650 def __eq__(self, *args):
8652 __eq__(RigidBodyMember self, RigidBodyMember o) -> bool
8653 __eq__(RigidBodyMember self, Particle d) -> bool
8655 return _IMP_core.RigidBodyMember___eq__(self, *args)
8657 def __ne__(self, *args):
8659 __ne__(RigidBodyMember self, RigidBodyMember o) -> bool
8660 __ne__(RigidBodyMember self, Particle d) -> bool
8662 return _IMP_core.RigidBodyMember___ne__(self, *args)
8664 def __le__(self, *args):
8666 __le__(RigidBodyMember self, RigidBodyMember o) -> bool
8667 __le__(RigidBodyMember self, Particle d) -> bool
8669 return _IMP_core.RigidBodyMember___le__(self, *args)
8671 def __lt__(self, *args):
8673 __lt__(RigidBodyMember self, RigidBodyMember o) -> bool
8674 __lt__(RigidBodyMember self, Particle d) -> bool
8676 return _IMP_core.RigidBodyMember___lt__(self, *args)
8678 def __ge__(self, *args):
8680 __ge__(RigidBodyMember self, RigidBodyMember o) -> bool
8681 __ge__(RigidBodyMember self, Particle d) -> bool
8683 return _IMP_core.RigidBodyMember___ge__(self, *args)
8685 def __gt__(self, *args):
8687 __gt__(RigidBodyMember self, RigidBodyMember o) -> bool
8688 __gt__(RigidBodyMember self, Particle d) -> bool
8690 return _IMP_core.RigidBodyMember___gt__(self, *args)
8693 r"""__hash__(RigidBodyMember self) -> std::size_t"""
8694 return _IMP_core.RigidBodyMember___hash__(self)
8697 r"""__str__(RigidBodyMember self) -> std::string"""
8698 return _IMP_core.RigidBodyMember___str__(self)
8701 r"""__repr__(RigidBodyMember self) -> std::string"""
8702 return _IMP_core.RigidBodyMember___repr__(self)
8704 def _get_as_binary(self):
8705 r"""_get_as_binary(RigidBodyMember self) -> PyObject *"""
8706 return _IMP_core.RigidBodyMember__get_as_binary(self)
8708 def _set_from_binary(self, p):
8709 r"""_set_from_binary(RigidBodyMember self, PyObject * p)"""
8710 return _IMP_core.RigidBodyMember__set_from_binary(self, p)
8712 def __getstate__(self):
8713 p = self._get_as_binary()
8714 if len(self.__dict__) > 1:
8715 d = self.__dict__.copy()
8720 def __setstate__(self, p):
8721 if not hasattr(self,
'this'):
8723 if isinstance(p, tuple):
8725 self.__dict__.update(d)
8726 return self._set_from_binary(p)
8730 _IMP_core.RigidBodyMember_swigregister(RigidBodyMember)
8731 class RigidMember(RigidBodyMember):
8732 r"""Proxy of C++ IMP::core::RigidMember class."""
8734 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8736 def show(self, *args):
8737 r"""show(RigidMember self, _ostream out=std::cout)"""
8738 return _IMP_core.RigidMember_show(self, *args)
8740 def __init__(self, *args):
8742 __init__(RigidMember self) -> RigidMember
8743 __init__(RigidMember self, Model m, ParticleIndex id) -> RigidMember
8744 __init__(RigidMember self, _ParticleAdaptor d) -> RigidMember
8745 __init__(RigidMember self, RigidMember arg2) -> RigidMember
8747 _IMP_core.RigidMember_swiginit(self, _IMP_core.new_RigidMember(*args))
8748 __swig_destroy__ = _IMP_core.delete_RigidMember
8751 def get_is_setup(*args):
8753 get_is_setup(_ParticleAdaptor p) -> bool
8754 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
8756 return _IMP_core.RigidMember_get_is_setup(*args)
8758 def add_attribute(self, *args):
8760 add_attribute(RigidMember self, FloatKey k, IMP::Float v, bool opt)
8761 add_attribute(RigidMember self, FloatKey a0, IMP::Float a1)
8762 add_attribute(RigidMember self, IntKey a0, IMP::Int a1)
8763 add_attribute(RigidMember self, FloatsKey a0, IMP::Floats a1)
8764 add_attribute(RigidMember self, IntsKey a0, IMP::Ints a1)
8765 add_attribute(RigidMember self, StringKey a0, IMP::String a1)
8766 add_attribute(RigidMember self, ParticleIndexKey a0, Particle a1)
8767 add_attribute(RigidMember self, ObjectKey a0, Object a1)
8768 add_attribute(RigidMember self, SparseFloatKey a0, IMP::Float a1)
8769 add_attribute(RigidMember self, SparseIntKey a0, IMP::Int a1)
8770 add_attribute(RigidMember self, SparseStringKey a0, IMP::String a1)
8771 add_attribute(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8773 return _IMP_core.RigidMember_add_attribute(self, *args)
8775 def get_value(self, *args):
8777 get_value(RigidMember self, FloatKey a0) -> IMP::Float
8778 get_value(RigidMember self, IntKey a0) -> IMP::Int
8779 get_value(RigidMember self, FloatsKey a0) -> IMP::Floats
8780 get_value(RigidMember self, IntsKey a0) -> IMP::Ints
8781 get_value(RigidMember self, StringKey a0) -> IMP::String
8782 get_value(RigidMember self, ParticleIndexKey a0) -> Particle
8783 get_value(RigidMember self, ObjectKey a0) -> Object
8784 get_value(RigidMember self, SparseFloatKey a0) -> IMP::Float
8785 get_value(RigidMember self, SparseIntKey a0) -> IMP::Int
8786 get_value(RigidMember self, SparseStringKey a0) -> IMP::String
8787 get_value(RigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
8789 return _IMP_core.RigidMember_get_value(self, *args)
8791 def set_value(self, *args):
8793 set_value(RigidMember self, FloatKey a0, IMP::Float a1)
8794 set_value(RigidMember self, IntKey a0, IMP::Int a1)
8795 set_value(RigidMember self, FloatsKey a0, IMP::Floats a1)
8796 set_value(RigidMember self, IntsKey a0, IMP::Ints a1)
8797 set_value(RigidMember self, StringKey a0, IMP::String a1)
8798 set_value(RigidMember self, ParticleIndexKey a0, Particle a1)
8799 set_value(RigidMember self, ObjectKey a0, Object a1)
8800 set_value(RigidMember self, SparseFloatKey a0, IMP::Float a1)
8801 set_value(RigidMember self, SparseIntKey a0, IMP::Int a1)
8802 set_value(RigidMember self, SparseStringKey a0, IMP::String a1)
8803 set_value(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8805 return _IMP_core.RigidMember_set_value(self, *args)
8807 def remove_attribute(self, *args):
8809 remove_attribute(RigidMember self, FloatKey a0)
8810 remove_attribute(RigidMember self, IntKey a0)
8811 remove_attribute(RigidMember self, FloatsKey a0)
8812 remove_attribute(RigidMember self, IntsKey a0)
8813 remove_attribute(RigidMember self, StringKey a0)
8814 remove_attribute(RigidMember self, ParticleIndexKey a0)
8815 remove_attribute(RigidMember self, ObjectKey a0)
8816 remove_attribute(RigidMember self, SparseFloatKey a0)
8817 remove_attribute(RigidMember self, SparseIntKey a0)
8818 remove_attribute(RigidMember self, SparseStringKey a0)
8819 remove_attribute(RigidMember self, SparseParticleIndexKey a0)
8821 return _IMP_core.RigidMember_remove_attribute(self, *args)
8823 def has_attribute(self, *args):
8825 has_attribute(RigidMember self, FloatKey a0) -> bool
8826 has_attribute(RigidMember self, IntKey a0) -> bool
8827 has_attribute(RigidMember self, FloatsKey a0) -> bool
8828 has_attribute(RigidMember self, IntsKey a0) -> bool
8829 has_attribute(RigidMember self, StringKey a0) -> bool
8830 has_attribute(RigidMember self, ParticleIndexKey a0) -> bool
8831 has_attribute(RigidMember self, ObjectKey a0) -> bool
8832 has_attribute(RigidMember self, SparseFloatKey a0) -> bool
8833 has_attribute(RigidMember self, SparseIntKey a0) -> bool
8834 has_attribute(RigidMember self, SparseStringKey a0) -> bool
8835 has_attribute(RigidMember self, SparseParticleIndexKey a0) -> bool
8837 return _IMP_core.RigidMember_has_attribute(self, *args)
8839 def get_derivative(self, a0):
8840 r"""get_derivative(RigidMember self, FloatKey a0) -> double"""
8841 return _IMP_core.RigidMember_get_derivative(self, a0)
8844 r"""get_name(RigidMember self) -> std::string"""
8845 return _IMP_core.RigidMember_get_name(self)
8847 def clear_caches(self):
8848 r"""clear_caches(RigidMember self)"""
8849 return _IMP_core.RigidMember_clear_caches(self)
8851 def set_name(self, a0):
8852 r"""set_name(RigidMember self, std::string a0)"""
8853 return _IMP_core.RigidMember_set_name(self, a0)
8856 r"""set_check_level(RigidMember self, IMP::CheckLevel a0)"""
8857 return _IMP_core.RigidMember_set_check_level(self, a0)
8859 def add_to_derivative(self, a0, a1, a2):
8860 r"""add_to_derivative(RigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8861 return _IMP_core.RigidMember_add_to_derivative(self, a0, a1, a2)
8863 def set_is_optimized(self, a0, a1):
8864 r"""set_is_optimized(RigidMember self, FloatKey a0, bool a1)"""
8865 return _IMP_core.RigidMember_set_is_optimized(self, a0, a1)
8867 def get_is_optimized(self, a0):
8868 r"""get_is_optimized(RigidMember self, FloatKey a0) -> bool"""
8869 return _IMP_core.RigidMember_get_is_optimized(self, a0)
8872 r"""get_check_level(RigidMember self) -> IMP::CheckLevel"""
8873 return _IMP_core.RigidMember_get_check_level(self)
8875 def __eq__(self, *args):
8877 __eq__(RigidMember self, RigidMember o) -> bool
8878 __eq__(RigidMember self, Particle d) -> bool
8880 return _IMP_core.RigidMember___eq__(self, *args)
8882 def __ne__(self, *args):
8884 __ne__(RigidMember self, RigidMember o) -> bool
8885 __ne__(RigidMember self, Particle d) -> bool
8887 return _IMP_core.RigidMember___ne__(self, *args)
8889 def __le__(self, *args):
8891 __le__(RigidMember self, RigidMember o) -> bool
8892 __le__(RigidMember self, Particle d) -> bool
8894 return _IMP_core.RigidMember___le__(self, *args)
8896 def __lt__(self, *args):
8898 __lt__(RigidMember self, RigidMember o) -> bool
8899 __lt__(RigidMember self, Particle d) -> bool
8901 return _IMP_core.RigidMember___lt__(self, *args)
8903 def __ge__(self, *args):
8905 __ge__(RigidMember self, RigidMember o) -> bool
8906 __ge__(RigidMember self, Particle d) -> bool
8908 return _IMP_core.RigidMember___ge__(self, *args)
8910 def __gt__(self, *args):
8912 __gt__(RigidMember self, RigidMember o) -> bool
8913 __gt__(RigidMember self, Particle d) -> bool
8915 return _IMP_core.RigidMember___gt__(self, *args)
8918 r"""__hash__(RigidMember self) -> std::size_t"""
8919 return _IMP_core.RigidMember___hash__(self)
8922 r"""__str__(RigidMember self) -> std::string"""
8923 return _IMP_core.RigidMember___str__(self)
8926 r"""__repr__(RigidMember self) -> std::string"""
8927 return _IMP_core.RigidMember___repr__(self)
8929 def _get_as_binary(self):
8930 r"""_get_as_binary(RigidMember self) -> PyObject *"""
8931 return _IMP_core.RigidMember__get_as_binary(self)
8933 def _set_from_binary(self, p):
8934 r"""_set_from_binary(RigidMember self, PyObject * p)"""
8935 return _IMP_core.RigidMember__set_from_binary(self, p)
8937 def __getstate__(self):
8938 p = self._get_as_binary()
8939 if len(self.__dict__) > 1:
8940 d = self.__dict__.copy()
8945 def __setstate__(self, p):
8946 if not hasattr(self,
'this'):
8948 if isinstance(p, tuple):
8950 self.__dict__.update(d)
8951 return self._set_from_binary(p)
8955 _IMP_core.RigidMember_swigregister(RigidMember)
8956 class NonRigidMember(RigidBodyMember):
8957 r"""Proxy of C++ IMP::core::NonRigidMember class."""
8959 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8961 def show(self, *args):
8962 r"""show(NonRigidMember self, _ostream out=std::cout)"""
8963 return _IMP_core.NonRigidMember_show(self, *args)
8965 def __init__(self, *args):
8967 __init__(NonRigidMember self) -> NonRigidMember
8968 __init__(NonRigidMember self, Model m, ParticleIndex id) -> NonRigidMember
8969 __init__(NonRigidMember self, _ParticleAdaptor d) -> NonRigidMember
8970 __init__(NonRigidMember self, NonRigidMember arg2) -> NonRigidMember
8972 _IMP_core.NonRigidMember_swiginit(self, _IMP_core.new_NonRigidMember(*args))
8973 __swig_destroy__ = _IMP_core.delete_NonRigidMember
8976 def get_is_setup(*args):
8978 get_is_setup(_ParticleAdaptor p) -> bool
8979 get_is_setup(Model m, ParticleIndex p) -> bool
8981 return _IMP_core.NonRigidMember_get_is_setup(*args)
8983 def add_to_internal_derivatives(self, deriv_parent, da):
8984 r"""add_to_internal_derivatives(NonRigidMember self, Vector3D deriv_parent, DerivativeAccumulator da)"""
8985 return _IMP_core.NonRigidMember_add_to_internal_derivatives(self, deriv_parent, da)
8987 def add_to_internal_rotational_derivatives(self, *args):
8989 add_to_internal_rotational_derivatives(NonRigidMember self, Vector4D local_qderiv, Rotation3D rot_local_to_parent, Rotation3D rot_parent_to_global, DerivativeAccumulator da)
8990 add_to_internal_rotational_derivatives(NonRigidMember self, Vector4D qderiv, DerivativeAccumulator da)
8992 return _IMP_core.NonRigidMember_add_to_internal_rotational_derivatives(self, *args)
8994 def get_internal_derivatives(self):
8995 r"""get_internal_derivatives(NonRigidMember self) -> Vector3D"""
8996 return _IMP_core.NonRigidMember_get_internal_derivatives(self)
8998 def get_internal_rotational_derivatives(self):
8999 r"""get_internal_rotational_derivatives(NonRigidMember self) -> Vector4D"""
9000 return _IMP_core.NonRigidMember_get_internal_rotational_derivatives(self)
9002 def add_attribute(self, *args):
9004 add_attribute(NonRigidMember self, FloatKey k, IMP::Float v, bool opt)
9005 add_attribute(NonRigidMember self, FloatKey a0, IMP::Float a1)
9006 add_attribute(NonRigidMember self, IntKey a0, IMP::Int a1)
9007 add_attribute(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
9008 add_attribute(NonRigidMember self, IntsKey a0, IMP::Ints a1)
9009 add_attribute(NonRigidMember self, StringKey a0, IMP::String a1)
9010 add_attribute(NonRigidMember self, ParticleIndexKey a0, Particle a1)
9011 add_attribute(NonRigidMember self, ObjectKey a0, Object a1)
9012 add_attribute(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
9013 add_attribute(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
9014 add_attribute(NonRigidMember self, SparseStringKey a0, IMP::String a1)
9015 add_attribute(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
9017 return _IMP_core.NonRigidMember_add_attribute(self, *args)
9019 def get_value(self, *args):
9021 get_value(NonRigidMember self, FloatKey a0) -> IMP::Float
9022 get_value(NonRigidMember self, IntKey a0) -> IMP::Int
9023 get_value(NonRigidMember self, FloatsKey a0) -> IMP::Floats
9024 get_value(NonRigidMember self, IntsKey a0) -> IMP::Ints
9025 get_value(NonRigidMember self, StringKey a0) -> IMP::String
9026 get_value(NonRigidMember self, ParticleIndexKey a0) -> Particle
9027 get_value(NonRigidMember self, ObjectKey a0) -> Object
9028 get_value(NonRigidMember self, SparseFloatKey a0) -> IMP::Float
9029 get_value(NonRigidMember self, SparseIntKey a0) -> IMP::Int
9030 get_value(NonRigidMember self, SparseStringKey a0) -> IMP::String
9031 get_value(NonRigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
9033 return _IMP_core.NonRigidMember_get_value(self, *args)
9035 def set_value(self, *args):
9037 set_value(NonRigidMember self, FloatKey a0, IMP::Float a1)
9038 set_value(NonRigidMember self, IntKey a0, IMP::Int a1)
9039 set_value(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
9040 set_value(NonRigidMember self, IntsKey a0, IMP::Ints a1)
9041 set_value(NonRigidMember self, StringKey a0, IMP::String a1)
9042 set_value(NonRigidMember self, ParticleIndexKey a0, Particle a1)
9043 set_value(NonRigidMember self, ObjectKey a0, Object a1)
9044 set_value(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
9045 set_value(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
9046 set_value(NonRigidMember self, SparseStringKey a0, IMP::String a1)
9047 set_value(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
9049 return _IMP_core.NonRigidMember_set_value(self, *args)
9051 def remove_attribute(self, *args):
9053 remove_attribute(NonRigidMember self, FloatKey a0)
9054 remove_attribute(NonRigidMember self, IntKey a0)
9055 remove_attribute(NonRigidMember self, FloatsKey a0)
9056 remove_attribute(NonRigidMember self, IntsKey a0)
9057 remove_attribute(NonRigidMember self, StringKey a0)
9058 remove_attribute(NonRigidMember self, ParticleIndexKey a0)
9059 remove_attribute(NonRigidMember self, ObjectKey a0)
9060 remove_attribute(NonRigidMember self, SparseFloatKey a0)
9061 remove_attribute(NonRigidMember self, SparseIntKey a0)
9062 remove_attribute(NonRigidMember self, SparseStringKey a0)
9063 remove_attribute(NonRigidMember self, SparseParticleIndexKey a0)
9065 return _IMP_core.NonRigidMember_remove_attribute(self, *args)
9067 def has_attribute(self, *args):
9069 has_attribute(NonRigidMember self, FloatKey a0) -> bool
9070 has_attribute(NonRigidMember self, IntKey a0) -> bool
9071 has_attribute(NonRigidMember self, FloatsKey a0) -> bool
9072 has_attribute(NonRigidMember self, IntsKey a0) -> bool
9073 has_attribute(NonRigidMember self, StringKey a0) -> bool
9074 has_attribute(NonRigidMember self, ParticleIndexKey a0) -> bool
9075 has_attribute(NonRigidMember self, ObjectKey a0) -> bool
9076 has_attribute(NonRigidMember self, SparseFloatKey a0) -> bool
9077 has_attribute(NonRigidMember self, SparseIntKey a0) -> bool
9078 has_attribute(NonRigidMember self, SparseStringKey a0) -> bool
9079 has_attribute(NonRigidMember self, SparseParticleIndexKey a0) -> bool
9081 return _IMP_core.NonRigidMember_has_attribute(self, *args)
9083 def get_derivative(self, a0):
9084 r"""get_derivative(NonRigidMember self, FloatKey a0) -> double"""
9085 return _IMP_core.NonRigidMember_get_derivative(self, a0)
9088 r"""get_name(NonRigidMember self) -> std::string"""
9089 return _IMP_core.NonRigidMember_get_name(self)
9091 def clear_caches(self):
9092 r"""clear_caches(NonRigidMember self)"""
9093 return _IMP_core.NonRigidMember_clear_caches(self)
9095 def set_name(self, a0):
9096 r"""set_name(NonRigidMember self, std::string a0)"""
9097 return _IMP_core.NonRigidMember_set_name(self, a0)
9100 r"""set_check_level(NonRigidMember self, IMP::CheckLevel a0)"""
9101 return _IMP_core.NonRigidMember_set_check_level(self, a0)
9103 def add_to_derivative(self, a0, a1, a2):
9104 r"""add_to_derivative(NonRigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9105 return _IMP_core.NonRigidMember_add_to_derivative(self, a0, a1, a2)
9107 def set_is_optimized(self, a0, a1):
9108 r"""set_is_optimized(NonRigidMember self, FloatKey a0, bool a1)"""
9109 return _IMP_core.NonRigidMember_set_is_optimized(self, a0, a1)
9111 def get_is_optimized(self, a0):
9112 r"""get_is_optimized(NonRigidMember self, FloatKey a0) -> bool"""
9113 return _IMP_core.NonRigidMember_get_is_optimized(self, a0)
9116 r"""get_check_level(NonRigidMember self) -> IMP::CheckLevel"""
9117 return _IMP_core.NonRigidMember_get_check_level(self)
9119 def __eq__(self, *args):
9121 __eq__(NonRigidMember self, NonRigidMember o) -> bool
9122 __eq__(NonRigidMember self, Particle d) -> bool
9124 return _IMP_core.NonRigidMember___eq__(self, *args)
9126 def __ne__(self, *args):
9128 __ne__(NonRigidMember self, NonRigidMember o) -> bool
9129 __ne__(NonRigidMember self, Particle d) -> bool
9131 return _IMP_core.NonRigidMember___ne__(self, *args)
9133 def __le__(self, *args):
9135 __le__(NonRigidMember self, NonRigidMember o) -> bool
9136 __le__(NonRigidMember self, Particle d) -> bool
9138 return _IMP_core.NonRigidMember___le__(self, *args)
9140 def __lt__(self, *args):
9142 __lt__(NonRigidMember self, NonRigidMember o) -> bool
9143 __lt__(NonRigidMember self, Particle d) -> bool
9145 return _IMP_core.NonRigidMember___lt__(self, *args)
9147 def __ge__(self, *args):
9149 __ge__(NonRigidMember self, NonRigidMember o) -> bool
9150 __ge__(NonRigidMember self, Particle d) -> bool
9152 return _IMP_core.NonRigidMember___ge__(self, *args)
9154 def __gt__(self, *args):
9156 __gt__(NonRigidMember self, NonRigidMember o) -> bool
9157 __gt__(NonRigidMember self, Particle d) -> bool
9159 return _IMP_core.NonRigidMember___gt__(self, *args)
9162 r"""__hash__(NonRigidMember self) -> std::size_t"""
9163 return _IMP_core.NonRigidMember___hash__(self)
9166 r"""__str__(NonRigidMember self) -> std::string"""
9167 return _IMP_core.NonRigidMember___str__(self)
9170 r"""__repr__(NonRigidMember self) -> std::string"""
9171 return _IMP_core.NonRigidMember___repr__(self)
9173 def _get_as_binary(self):
9174 r"""_get_as_binary(NonRigidMember self) -> PyObject *"""
9175 return _IMP_core.NonRigidMember__get_as_binary(self)
9177 def _set_from_binary(self, p):
9178 r"""_set_from_binary(NonRigidMember self, PyObject * p)"""
9179 return _IMP_core.NonRigidMember__set_from_binary(self, p)
9181 def __getstate__(self):
9182 p = self._get_as_binary()
9183 if len(self.__dict__) > 1:
9184 d = self.__dict__.copy()
9189 def __setstate__(self, p):
9190 if not hasattr(self,
'this'):
9192 if isinstance(p, tuple):
9194 self.__dict__.update(d)
9195 return self._set_from_binary(p)
9199 _IMP_core.NonRigidMember_swigregister(NonRigidMember)
9201 r"""Proxy of C++ IMP::core::RigidMembersRefiner class."""
9203 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9205 def __init__(self, *args):
9206 r"""__init__(RigidMembersRefiner self, std::string name="RigidMembersRefiner%d") -> RigidMembersRefiner"""
9207 _IMP_core.RigidMembersRefiner_swiginit(self, _IMP_core.new_RigidMembersRefiner(*args))
9209 def do_get_inputs(self, m, pis):
9210 r"""do_get_inputs(RigidMembersRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9211 return _IMP_core.RigidMembersRefiner_do_get_inputs(self, m, pis)
9213 def get_version_info(self):
9214 r"""get_version_info(RigidMembersRefiner self) -> VersionInfo"""
9215 return _IMP_core.RigidMembersRefiner_get_version_info(self)
9216 __swig_destroy__ = _IMP_core.delete_RigidMembersRefiner
9219 r"""__str__(RigidMembersRefiner self) -> std::string"""
9220 return _IMP_core.RigidMembersRefiner___str__(self)
9223 r"""__repr__(RigidMembersRefiner self) -> std::string"""
9224 return _IMP_core.RigidMembersRefiner___repr__(self)
9228 return _object_cast_to_RigidMembersRefiner(o)
9232 _IMP_core.RigidMembersRefiner_swigregister(RigidMembersRefiner)
9234 def get_rigid_members_refiner():
9235 r"""get_rigid_members_refiner() -> RigidMembersRefiner"""
9236 return _IMP_core.get_rigid_members_refiner()
9240 transform(XYZ a, Transformation3D tr)
9241 transform(RigidBody a, Transformation3D tr)
9243 return _IMP_core.transform(*args)
9247 get_initial_reference_frame(Model m, IMP::ParticleIndexes const & pis) -> ReferenceFrame3D
9248 get_initial_reference_frame(IMP::ParticlesTemp const & ps) -> ReferenceFrame3D
9250 return _IMP_core.get_initial_reference_frame(*args)
9253 r"""create_rigid_bodies(Model m, unsigned int n, bool no_members=False) -> IMP::ParticlesTemp"""
9254 return _IMP_core.create_rigid_bodies(m, n, no_members)
9257 r"""show_rigid_body_hierarchy(RigidBody rb, TextOutput out=IMP::TextOutput(std::cout))"""
9258 return _IMP_core.show_rigid_body_hierarchy(*args)
9261 r"""get_root_rigid_body(RigidMember m) -> ParticleIndex"""
9262 return _IMP_core.get_root_rigid_body(m)
9264 r"""Proxy of C++ IMP::core::internal::_UpdateRigidBodyMembers class."""
9266 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9268 def __init__(self, *args):
9269 r"""__init__(_UpdateRigidBodyMembers self, std::string name="UpdateRigidBodyMembers%1%") -> _UpdateRigidBodyMembers"""
9270 _IMP_core._UpdateRigidBodyMembers_swiginit(self, _IMP_core.new__UpdateRigidBodyMembers(*args))
9272 def do_get_inputs(self, m, pis):
9273 r"""do_get_inputs(_UpdateRigidBodyMembers self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9274 return _IMP_core._UpdateRigidBodyMembers_do_get_inputs(self, m, pis)
9276 def do_get_outputs(self, m, pis):
9277 r"""do_get_outputs(_UpdateRigidBodyMembers self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9278 return _IMP_core._UpdateRigidBodyMembers_do_get_outputs(self, m, pis)
9280 def get_version_info(self):
9281 r"""get_version_info(_UpdateRigidBodyMembers self) -> VersionInfo"""
9282 return _IMP_core._UpdateRigidBodyMembers_get_version_info(self)
9283 __swig_destroy__ = _IMP_core.delete__UpdateRigidBodyMembers
9286 r"""__str__(_UpdateRigidBodyMembers self) -> std::string"""
9287 return _IMP_core._UpdateRigidBodyMembers___str__(self)
9290 r"""__repr__(_UpdateRigidBodyMembers self) -> std::string"""
9291 return _IMP_core._UpdateRigidBodyMembers___repr__(self)
9295 return _object_cast_to__UpdateRigidBodyMembers(o)
9299 _IMP_core._UpdateRigidBodyMembers_swigregister(_UpdateRigidBodyMembers)
9301 r"""Proxy of C++ IMP::core::internal::_AccumulateRigidBodyDerivatives class."""
9303 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9305 def __init__(self, *args):
9306 r"""__init__(_AccumulateRigidBodyDerivatives self, std::string name="AccumulateRigidBodyDerivatives%1%") -> _AccumulateRigidBodyDerivatives"""
9307 _IMP_core._AccumulateRigidBodyDerivatives_swiginit(self, _IMP_core.new__AccumulateRigidBodyDerivatives(*args))
9309 def do_get_inputs(self, m, pis):
9310 r"""do_get_inputs(_AccumulateRigidBodyDerivatives self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9311 return _IMP_core._AccumulateRigidBodyDerivatives_do_get_inputs(self, m, pis)
9313 def do_get_outputs(self, m, pis):
9314 r"""do_get_outputs(_AccumulateRigidBodyDerivatives self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9315 return _IMP_core._AccumulateRigidBodyDerivatives_do_get_outputs(self, m, pis)
9317 def get_version_info(self):
9318 r"""get_version_info(_AccumulateRigidBodyDerivatives self) -> VersionInfo"""
9319 return _IMP_core._AccumulateRigidBodyDerivatives_get_version_info(self)
9320 __swig_destroy__ = _IMP_core.delete__AccumulateRigidBodyDerivatives
9323 r"""__str__(_AccumulateRigidBodyDerivatives self) -> std::string"""
9324 return _IMP_core._AccumulateRigidBodyDerivatives___str__(self)
9327 r"""__repr__(_AccumulateRigidBodyDerivatives self) -> std::string"""
9328 return _IMP_core._AccumulateRigidBodyDerivatives___repr__(self)
9332 return _object_cast_to__AccumulateRigidBodyDerivatives(o)
9336 _IMP_core._AccumulateRigidBodyDerivatives_swigregister(_AccumulateRigidBodyDerivatives)
9338 r"""Proxy of C++ IMP::core::internal::_NormalizeRotation class."""
9340 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9342 def __init__(self, *args):
9343 r"""__init__(_NormalizeRotation self, std::string name="NormalizeRotation%1%") -> _NormalizeRotation"""
9344 _IMP_core._NormalizeRotation_swiginit(self, _IMP_core.new__NormalizeRotation(*args))
9346 def do_get_inputs(self, m, pis):
9347 r"""do_get_inputs(_NormalizeRotation self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9348 return _IMP_core._NormalizeRotation_do_get_inputs(self, m, pis)
9350 def do_get_outputs(self, m, pis):
9351 r"""do_get_outputs(_NormalizeRotation self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9352 return _IMP_core._NormalizeRotation_do_get_outputs(self, m, pis)
9354 def get_version_info(self):
9355 r"""get_version_info(_NormalizeRotation self) -> VersionInfo"""
9356 return _IMP_core._NormalizeRotation_get_version_info(self)
9357 __swig_destroy__ = _IMP_core.delete__NormalizeRotation
9360 r"""__str__(_NormalizeRotation self) -> std::string"""
9361 return _IMP_core._NormalizeRotation___str__(self)
9364 r"""__repr__(_NormalizeRotation self) -> std::string"""
9365 return _IMP_core._NormalizeRotation___repr__(self)
9369 return _object_cast_to__NormalizeRotation(o)
9373 _IMP_core._NormalizeRotation_swigregister(_NormalizeRotation)
9375 r"""Proxy of C++ IMP::core::internal::_RigidBodyNormalizeConstraint class."""
9377 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9379 def __init__(self, *args, **kwargs):
9380 raise AttributeError(
"No constructor defined - class is abstract")
9382 def get_before_modifier(self):
9383 r"""get_before_modifier(_RigidBodyNormalizeConstraint self) -> _NormalizeRotation"""
9384 return _IMP_core._RigidBodyNormalizeConstraint_get_before_modifier(self)
9386 def get_container(self):
9387 r"""get_container(_RigidBodyNormalizeConstraint self) -> Container"""
9388 return _IMP_core._RigidBodyNormalizeConstraint_get_container(self)
9390 def get_version_info(self):
9391 r"""get_version_info(_RigidBodyNormalizeConstraint self) -> VersionInfo"""
9392 return _IMP_core._RigidBodyNormalizeConstraint_get_version_info(self)
9393 __swig_destroy__ = _IMP_core.delete__RigidBodyNormalizeConstraint
9396 r"""__str__(_RigidBodyNormalizeConstraint self) -> std::string"""
9397 return _IMP_core._RigidBodyNormalizeConstraint___str__(self)
9400 r"""__repr__(_RigidBodyNormalizeConstraint self) -> std::string"""
9401 return _IMP_core._RigidBodyNormalizeConstraint___repr__(self)
9405 return _object_cast_to__RigidBodyNormalizeConstraint(o)
9409 _IMP_core._RigidBodyNormalizeConstraint_swigregister(_RigidBodyNormalizeConstraint)
9411 r"""Proxy of C++ IMP::core::internal::_RigidBodyPositionConstraint class."""
9413 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9415 def __init__(self, *args, **kwargs):
9416 raise AttributeError(
"No constructor defined - class is abstract")
9418 def get_version_info(self):
9419 r"""get_version_info(_RigidBodyPositionConstraint self) -> VersionInfo"""
9420 return _IMP_core._RigidBodyPositionConstraint_get_version_info(self)
9421 __swig_destroy__ = _IMP_core.delete__RigidBodyPositionConstraint
9423 def get_before_modifier(self):
9424 r"""get_before_modifier(_RigidBodyPositionConstraint self) -> _UpdateRigidBodyMembers"""
9425 return _IMP_core._RigidBodyPositionConstraint_get_before_modifier(self)
9427 def get_after_modifier(self):
9428 r"""get_after_modifier(_RigidBodyPositionConstraint self) -> _AccumulateRigidBodyDerivatives"""
9429 return _IMP_core._RigidBodyPositionConstraint_get_after_modifier(self)
9432 r"""get_index(_RigidBodyPositionConstraint self) -> ParticleIndex"""
9433 return _IMP_core._RigidBodyPositionConstraint_get_index(self)
9436 r"""__str__(_RigidBodyPositionConstraint self) -> std::string"""
9437 return _IMP_core._RigidBodyPositionConstraint___str__(self)
9440 r"""__repr__(_RigidBodyPositionConstraint self) -> std::string"""
9441 return _IMP_core._RigidBodyPositionConstraint___repr__(self)
9445 return _object_cast_to__RigidBodyPositionConstraint(o)
9449 _IMP_core._RigidBodyPositionConstraint_swigregister(_RigidBodyPositionConstraint)
9451 r"""Proxy of C++ IMP::core::RigidBodyHierarchyGeometry class."""
9453 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9455 def __init__(self, rb, constituents):
9456 r"""__init__(RigidBodyHierarchyGeometry self, RigidBody rb, IMP::ParticlesTemp const & constituents) -> RigidBodyHierarchyGeometry"""
9457 _IMP_core.RigidBodyHierarchyGeometry_swiginit(self, _IMP_core.new_RigidBodyHierarchyGeometry(rb, constituents))
9459 def get_version_info(self):
9460 r"""get_version_info(RigidBodyHierarchyGeometry self) -> VersionInfo"""
9461 return _IMP_core.RigidBodyHierarchyGeometry_get_version_info(self)
9462 __swig_destroy__ = _IMP_core.delete_RigidBodyHierarchyGeometry
9465 r"""__str__(RigidBodyHierarchyGeometry self) -> std::string"""
9466 return _IMP_core.RigidBodyHierarchyGeometry___str__(self)
9469 r"""__repr__(RigidBodyHierarchyGeometry self) -> std::string"""
9470 return _IMP_core.RigidBodyHierarchyGeometry___repr__(self)
9474 return _object_cast_to_RigidBodyHierarchyGeometry(o)
9478 _IMP_core.RigidBodyHierarchyGeometry_swigregister(RigidBodyHierarchyGeometry)
9480 r"""Proxy of C++ IMP::core::RigidBodyDerivativeGeometry class."""
9482 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9484 def __init__(self, *args):
9486 __init__(RigidBodyDerivativeGeometry self, Particle p) -> RigidBodyDerivativeGeometry
9487 __init__(RigidBodyDerivativeGeometry self, RigidBody d) -> RigidBodyDerivativeGeometry
9489 _IMP_core.RigidBodyDerivativeGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativeGeometry(*args))
9491 def get_version_info(self):
9492 r"""get_version_info(RigidBodyDerivativeGeometry self) -> VersionInfo"""
9493 return _IMP_core.RigidBodyDerivativeGeometry_get_version_info(self)
9494 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativeGeometry
9497 r"""__str__(RigidBodyDerivativeGeometry self) -> std::string"""
9498 return _IMP_core.RigidBodyDerivativeGeometry___str__(self)
9501 r"""__repr__(RigidBodyDerivativeGeometry self) -> std::string"""
9502 return _IMP_core.RigidBodyDerivativeGeometry___repr__(self)
9506 return _object_cast_to_RigidBodyDerivativeGeometry(o)
9510 _IMP_core.RigidBodyDerivativeGeometry_swigregister(RigidBodyDerivativeGeometry)
9512 r"""Proxy of C++ IMP::core::RigidBodyDerivativesGeometry class."""
9514 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9516 def __init__(self, sc):
9517 r"""__init__(RigidBodyDerivativesGeometry self, SingletonContainer sc) -> RigidBodyDerivativesGeometry"""
9518 _IMP_core.RigidBodyDerivativesGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativesGeometry(sc))
9520 def get_version_info(self):
9521 r"""get_version_info(RigidBodyDerivativesGeometry self) -> VersionInfo"""
9522 return _IMP_core.RigidBodyDerivativesGeometry_get_version_info(self)
9523 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativesGeometry
9526 r"""__str__(RigidBodyDerivativesGeometry self) -> std::string"""
9527 return _IMP_core.RigidBodyDerivativesGeometry___str__(self)
9530 r"""__repr__(RigidBodyDerivativesGeometry self) -> std::string"""
9531 return _IMP_core.RigidBodyDerivativesGeometry___repr__(self)
9535 return _object_cast_to_RigidBodyDerivativesGeometry(o)
9539 _IMP_core.RigidBodyDerivativesGeometry_swigregister(RigidBodyDerivativesGeometry)
9541 r"""Proxy of C++ IMP::core::RigidBodyFrameGeometry class."""
9543 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9545 def __init__(self, *args):
9547 __init__(RigidBodyFrameGeometry self, Particle p) -> RigidBodyFrameGeometry
9548 __init__(RigidBodyFrameGeometry self, RigidBody d) -> RigidBodyFrameGeometry
9550 _IMP_core.RigidBodyFrameGeometry_swiginit(self, _IMP_core.new_RigidBodyFrameGeometry(*args))
9552 def get_version_info(self):
9553 r"""get_version_info(RigidBodyFrameGeometry self) -> VersionInfo"""
9554 return _IMP_core.RigidBodyFrameGeometry_get_version_info(self)
9555 __swig_destroy__ = _IMP_core.delete_RigidBodyFrameGeometry
9558 r"""__str__(RigidBodyFrameGeometry self) -> std::string"""
9559 return _IMP_core.RigidBodyFrameGeometry___str__(self)
9562 r"""__repr__(RigidBodyFrameGeometry self) -> std::string"""
9563 return _IMP_core.RigidBodyFrameGeometry___repr__(self)
9567 return _object_cast_to_RigidBodyFrameGeometry(o)
9571 _IMP_core.RigidBodyFrameGeometry_swigregister(RigidBodyFrameGeometry)
9573 r"""Proxy of C++ IMP::core::RigidBodyFramesGeometry class."""
9575 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9577 def __init__(self, sc):
9578 r"""__init__(RigidBodyFramesGeometry self, SingletonContainer sc) -> RigidBodyFramesGeometry"""
9579 _IMP_core.RigidBodyFramesGeometry_swiginit(self, _IMP_core.new_RigidBodyFramesGeometry(sc))
9581 def get_version_info(self):
9582 r"""get_version_info(RigidBodyFramesGeometry self) -> VersionInfo"""
9583 return _IMP_core.RigidBodyFramesGeometry_get_version_info(self)
9584 __swig_destroy__ = _IMP_core.delete_RigidBodyFramesGeometry
9587 r"""__str__(RigidBodyFramesGeometry self) -> std::string"""
9588 return _IMP_core.RigidBodyFramesGeometry___str__(self)
9591 r"""__repr__(RigidBodyFramesGeometry self) -> std::string"""
9592 return _IMP_core.RigidBodyFramesGeometry___repr__(self)
9596 return _object_cast_to_RigidBodyFramesGeometry(o)
9600 _IMP_core.RigidBodyFramesGeometry_swigregister(RigidBodyFramesGeometry)
9602 r"""Proxy of C++ IMP::core::RigidBodyTorque class."""
9604 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9606 def __init__(self, p):
9607 r"""__init__(RigidBodyTorque self, Particle p) -> RigidBodyTorque"""
9608 _IMP_core.RigidBodyTorque_swiginit(self, _IMP_core.new_RigidBodyTorque(p))
9611 r"""__str__(RigidBodyTorque self) -> std::string"""
9612 return _IMP_core.RigidBodyTorque___str__(self)
9615 r"""__repr__(RigidBodyTorque self) -> std::string"""
9616 return _IMP_core.RigidBodyTorque___repr__(self)
9620 return _object_cast_to_RigidBodyTorque(o)
9622 __swig_destroy__ = _IMP_core.delete_RigidBodyTorque
9625 _IMP_core.RigidBodyTorque_swigregister(RigidBodyTorque)
9626 class NearestNeighborsClosePairsFinder(ClosePairsFinder):
9627 r"""Proxy of C++ IMP::core::NearestNeighborsClosePairsFinder class."""
9629 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9632 r"""__init__(NearestNeighborsClosePairsFinder self) -> NearestNeighborsClosePairsFinder"""
9633 _IMP_core.NearestNeighborsClosePairsFinder_swiginit(self, _IMP_core.new_NearestNeighborsClosePairsFinder())
9635 def get_close_pairs(self, *args):
9637 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9638 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9639 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
9640 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
9642 return _IMP_core.NearestNeighborsClosePairsFinder_get_close_pairs(self, *args)
9644 def do_get_inputs(self, m, pis):
9645 r"""do_get_inputs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9646 return _IMP_core.NearestNeighborsClosePairsFinder_do_get_inputs(self, m, pis)
9648 def get_version_info(self):
9649 r"""get_version_info(NearestNeighborsClosePairsFinder self) -> VersionInfo"""
9650 return _IMP_core.NearestNeighborsClosePairsFinder_get_version_info(self)
9651 __swig_destroy__ = _IMP_core.delete_NearestNeighborsClosePairsFinder
9654 r"""__str__(NearestNeighborsClosePairsFinder self) -> std::string"""
9655 return _IMP_core.NearestNeighborsClosePairsFinder___str__(self)
9658 r"""__repr__(NearestNeighborsClosePairsFinder self) -> std::string"""
9659 return _IMP_core.NearestNeighborsClosePairsFinder___repr__(self)
9663 return _object_cast_to_NearestNeighborsClosePairsFinder(o)
9667 _IMP_core.NearestNeighborsClosePairsFinder_swigregister(NearestNeighborsClosePairsFinder)
9669 r"""Proxy of C++ IMP::core::RestraintsScoringFunction class."""
9671 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9673 def __init__(self, *args):
9675 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, double weight=1.0, double max=NO_MAX, std::string name="RestraintsScoringFunction%1%") -> RestraintsScoringFunction
9676 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, std::string name) -> RestraintsScoringFunction
9677 __init__(RestraintsScoringFunction self) -> RestraintsScoringFunction
9679 _IMP_core.RestraintsScoringFunction_swiginit(self, _IMP_core.new_RestraintsScoringFunction(*args))
9681 def do_add_score_and_derivatives(self, sa, ss):
9682 r"""do_add_score_and_derivatives(RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
9683 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives(self, sa, ss)
9685 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
9686 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)"""
9687 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
9689 def do_get_inputs(self):
9690 r"""do_get_inputs(RestraintsScoringFunction self) -> IMP::ModelObjectsTemp"""
9691 return _IMP_core.RestraintsScoringFunction_do_get_inputs(self)
9693 def get_restraints(self):
9694 r"""get_restraints(RestraintsScoringFunction self) -> IMP::Restraints"""
9695 return _IMP_core.RestraintsScoringFunction_get_restraints(self)
9697 def set_restraints(self, d):
9698 r"""set_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9699 return _IMP_core.RestraintsScoringFunction_set_restraints(self, d)
9701 def get_number_of_restraints(self):
9702 r"""get_number_of_restraints(RestraintsScoringFunction self) -> unsigned int"""
9703 return _IMP_core.RestraintsScoringFunction_get_number_of_restraints(self)
9705 def clear_restraints(self):
9706 r"""clear_restraints(RestraintsScoringFunction self)"""
9707 return _IMP_core.RestraintsScoringFunction_clear_restraints(self)
9709 def get_restraint(self, i):
9710 r"""get_restraint(RestraintsScoringFunction self, unsigned int i) -> Restraint"""
9711 return _IMP_core.RestraintsScoringFunction_get_restraint(self, i)
9713 def erase_restraint(self, i):
9714 r"""erase_restraint(RestraintsScoringFunction self, unsigned int i)"""
9715 return _IMP_core.RestraintsScoringFunction_erase_restraint(self, i)
9718 r"""add_restraint(RestraintsScoringFunction self, Restraint d) -> unsigned int"""
9719 return _IMP_core.RestraintsScoringFunction_add_restraint(self, d)
9722 r"""add_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9723 return _IMP_core.RestraintsScoringFunction_add_restraints(self, d)
9725 def _python_index_restraint(self, r, start, stop):
9726 r"""_python_index_restraint(RestraintsScoringFunction self, Restraint r, unsigned int start, unsigned int stop) -> unsigned int"""
9727 return _IMP_core.RestraintsScoringFunction__python_index_restraint(self, r, start, stop)
9728 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)
9729 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
9730 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
9731 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##Restraints")
9733 def get_version_info(self):
9734 r"""get_version_info(RestraintsScoringFunction self) -> VersionInfo"""
9735 return _IMP_core.RestraintsScoringFunction_get_version_info(self)
9736 __swig_destroy__ = _IMP_core.delete_RestraintsScoringFunction
9739 r"""__str__(RestraintsScoringFunction self) -> std::string"""
9740 return _IMP_core.RestraintsScoringFunction___str__(self)
9743 r"""__repr__(RestraintsScoringFunction self) -> std::string"""
9744 return _IMP_core.RestraintsScoringFunction___repr__(self)
9748 return _object_cast_to_RestraintsScoringFunction(o)
9751 def _get_as_binary(self):
9752 r"""_get_as_binary(RestraintsScoringFunction self) -> PyObject *"""
9753 return _IMP_core.RestraintsScoringFunction__get_as_binary(self)
9755 def _set_from_binary(self, p):
9756 r"""_set_from_binary(RestraintsScoringFunction self, PyObject * p)"""
9757 return _IMP_core.RestraintsScoringFunction__set_from_binary(self, p)
9759 def __getstate__(self):
9760 p = self._get_as_binary()
9761 if len(self.__dict__) > 1:
9762 d = self.__dict__.copy()
9767 def __setstate__(self, p):
9768 if not hasattr(self,
'this'):
9770 if isinstance(p, tuple):
9772 self.__dict__.update(d)
9773 return self._set_from_binary(p)
9777 import IMP._jax_util
9778 jis = [r.get_derived_object()._get_jax()
for r
in self.restraints]
9779 funcs = [j.score_func
for j
in jis]
9780 keys = frozenset(x
for j
in jis
for x
in j._keys)
9782 return sum(f(jm)
for f
in funcs)
9783 return IMP._jax_util.JAXRestraintInfo(
9784 m=self.get_model(), score_func=jax_sf, weight=1.0, keys=keys)
9788 _IMP_core.RestraintsScoringFunction_swigregister(RestraintsScoringFunction)
9789 class RigidClosePairsFinder(ClosePairsFinder):
9790 r"""Proxy of C++ IMP::core::RigidClosePairsFinder class."""
9792 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9794 def __init__(self, cpf=None):
9795 r"""__init__(RigidClosePairsFinder self, ClosePairsFinder cpf=None) -> RigidClosePairsFinder"""
9796 _IMP_core.RigidClosePairsFinder_swiginit(self, _IMP_core.new_RigidClosePairsFinder(cpf))
9798 def do_get_inputs(self, m, pis):
9799 r"""do_get_inputs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9800 return _IMP_core.RigidClosePairsFinder_do_get_inputs(self, m, pis)
9802 def get_close_pairs(self, *args):
9804 get_close_pairs(RigidClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b, IMP::ParticleIndexes const & pa, IMP::ParticleIndexes const & pb) -> IMP::ParticleIndexPairs
9805 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9806 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9807 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
9808 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
9810 return _IMP_core.RigidClosePairsFinder_get_close_pairs(self, *args)
9812 def get_version_info(self):
9813 r"""get_version_info(RigidClosePairsFinder self) -> VersionInfo"""
9814 return _IMP_core.RigidClosePairsFinder_get_version_info(self)
9815 __swig_destroy__ = _IMP_core.delete_RigidClosePairsFinder
9818 r"""__str__(RigidClosePairsFinder self) -> std::string"""
9819 return _IMP_core.RigidClosePairsFinder___str__(self)
9822 r"""__repr__(RigidClosePairsFinder self) -> std::string"""
9823 return _IMP_core.RigidClosePairsFinder___repr__(self)
9827 return _object_cast_to_RigidClosePairsFinder(o)
9830 def _get_as_binary(self):
9831 r"""_get_as_binary(RigidClosePairsFinder self) -> PyObject *"""
9832 return _IMP_core.RigidClosePairsFinder__get_as_binary(self)
9834 def _set_from_binary(self, p):
9835 r"""_set_from_binary(RigidClosePairsFinder self, PyObject * p)"""
9836 return _IMP_core.RigidClosePairsFinder__set_from_binary(self, p)
9838 def __getstate__(self):
9839 p = self._get_as_binary()
9840 if len(self.__dict__) > 1:
9841 d = self.__dict__.copy()
9846 def __setstate__(self, p):
9847 if not hasattr(self,
'this'):
9849 if isinstance(p, tuple):
9851 self.__dict__.update(d)
9852 return self._set_from_binary(p)
9856 _IMP_core.RigidClosePairsFinder_swigregister(RigidClosePairsFinder)
9858 r"""Proxy of C++ IMP::core::SphereDistancePairScore class."""
9860 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9861 __repr__ = _swig_repr
9863 def __init__(self, *args):
9865 SphereDistancePairScore(UnaryFunction uf, std::string name="SphereDistancePairScore%1%") -> _SphereDistancePairScore
9866 __init__(_SphereDistancePairScore self) -> _SphereDistancePairScore
9868 _IMP_core._SphereDistancePairScore_swiginit(self, _IMP_core.new__SphereDistancePairScore(*args))
9870 def do_get_inputs(self, m, pis):
9871 r"""do_get_inputs(_SphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9872 return _IMP_core._SphereDistancePairScore_do_get_inputs(self, m, pis)
9874 def get_score_functor(self, *args):
9876 get_score_functor(_SphereDistancePairScore self) -> _SphereDistanceUF
9877 get_score_functor(_SphereDistancePairScore self) -> _SphereDistanceUF
9879 return _IMP_core._SphereDistancePairScore_get_score_functor(self, *args)
9881 def get_version_info(self):
9882 r"""get_version_info(_SphereDistancePairScore self) -> VersionInfo"""
9883 return _IMP_core._SphereDistancePairScore_get_version_info(self)
9884 __swig_destroy__ = _IMP_core.delete__SphereDistancePairScore
9888 return _object_cast_to__SphereDistancePairScore(o)
9891 def _get_as_binary(self):
9892 r"""_get_as_binary(_SphereDistancePairScore self) -> PyObject *"""
9893 return _IMP_core._SphereDistancePairScore__get_as_binary(self)
9895 def _set_from_binary(self, p):
9896 r"""_set_from_binary(_SphereDistancePairScore self, PyObject * p)"""
9897 return _IMP_core._SphereDistancePairScore__set_from_binary(self, p)
9899 def __getstate__(self):
9900 p = self._get_as_binary()
9901 if len(self.__dict__) > 1:
9902 d = self.__dict__.copy()
9907 def __setstate__(self, p):
9908 if not hasattr(self,
'this'):
9910 if isinstance(p, tuple):
9912 self.__dict__.update(d)
9913 return self._set_from_binary(p)
9916 def _get_jax(self, m, indexes):
9917 import jax.numpy
as jnp
9918 def jax_score(jm, uf):
9919 xyzs = jm[
'xyz'][indexes]
9920 rs = jm[
'r'][indexes]
9921 diff = xyzs[:,0] - xyzs[:,1]
9922 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
9924 sfnc = self.get_score_functor()
9925 uf = sfnc.get_unary_function().get_derived_object()
9926 f = functools.partial(jax_score, uf=uf._get_jax())
9927 return self._wrap_jax(m, f)
9931 _IMP_core._SphereDistancePairScore_swigregister(_SphereDistancePairScore)
9932 class HarmonicUpperBoundSphereDistancePairScore(
IMP.PairScore):
9933 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDistancePairScore class."""
9935 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9937 def __init__(self, *args):
9939 __init__(HarmonicUpperBoundSphereDistancePairScore self, double x0, double k, std::string name="HarmonicUpperBoundSphereDistancePairScore%1%") -> HarmonicUpperBoundSphereDistancePairScore
9940 __init__(HarmonicUpperBoundSphereDistancePairScore self) -> HarmonicUpperBoundSphereDistancePairScore
9942 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDistancePairScore(*args))
9944 def do_get_inputs(self, m, pis):
9945 r"""do_get_inputs(HarmonicUpperBoundSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9946 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_do_get_inputs(self, m, pis)
9948 def get_score_functor(self, *args):
9950 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore
9951 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore const &
9953 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_score_functor(self, *args)
9956 r"""get_x0(HarmonicUpperBoundSphereDistancePairScore self) -> double"""
9957 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_x0(self)
9960 r"""get_k(HarmonicUpperBoundSphereDistancePairScore self) -> double"""
9961 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_k(self)
9963 def get_version_info(self):
9964 r"""get_version_info(HarmonicUpperBoundSphereDistancePairScore self) -> VersionInfo"""
9965 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_version_info(self)
9966 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDistancePairScore
9969 r"""__str__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
9970 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___str__(self)
9973 r"""__repr__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
9974 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___repr__(self)
9978 return _object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o)
9981 def _get_as_binary(self):
9982 r"""_get_as_binary(HarmonicUpperBoundSphereDistancePairScore self) -> PyObject *"""
9983 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__get_as_binary(self)
9985 def _set_from_binary(self, p):
9986 r"""_set_from_binary(HarmonicUpperBoundSphereDistancePairScore self, PyObject * p)"""
9987 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__set_from_binary(self, p)
9989 def __getstate__(self):
9990 p = self._get_as_binary()
9991 if len(self.__dict__) > 1:
9992 d = self.__dict__.copy()
9997 def __setstate__(self, p):
9998 if not hasattr(self,
'this'):
10000 if isinstance(p, tuple):
10002 self.__dict__.update(d)
10003 return self._set_from_binary(p)
10006 def _get_jax(self, m, indexes):
10007 import jax.numpy
as jnp
10009 def jax_score(jm, d, k):
10010 xyzs = jm[
'xyz'][indexes]
10011 rs = jm[
'r'][indexes]
10012 diff = xyzs[:,0] - xyzs[:,1]
10013 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
10014 return 0.5 * k * jax.lax.min(d - drs, 0.0) ** 2
10015 f = functools.partial(jax_score, d=self.get_x0(), k=self.get_k())
10016 return self._wrap_jax(m, f)
10020 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swigregister(HarmonicUpperBoundSphereDistancePairScore)
10021 class HarmonicUpperBoundSphereDiameterPairScore(
IMP.PairScore):
10022 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDiameterPairScore class."""
10024 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10026 def __init__(self, d0, k):
10027 r"""__init__(HarmonicUpperBoundSphereDiameterPairScore self, double d0, double k) -> HarmonicUpperBoundSphereDiameterPairScore"""
10028 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDiameterPairScore(d0, k))
10030 def get_rest_length(self):
10031 r"""get_rest_length(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
10032 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_rest_length(self)
10034 def get_stiffness(self):
10035 r"""get_stiffness(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
10036 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_stiffness(self)
10038 def do_get_inputs(self, m, pis):
10039 r"""do_get_inputs(HarmonicUpperBoundSphereDiameterPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10040 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_do_get_inputs(self, m, pis)
10042 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10043 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"""
10044 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10046 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10047 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"""
10048 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10050 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10051 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"""
10052 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10054 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10055 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"""
10056 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10058 def get_version_info(self):
10059 r"""get_version_info(HarmonicUpperBoundSphereDiameterPairScore self) -> VersionInfo"""
10060 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_version_info(self)
10061 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDiameterPairScore
10064 r"""__str__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
10065 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___str__(self)
10067 def __repr__(self):
10068 r"""__repr__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
10069 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___repr__(self)
10073 return _object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o)
10077 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swigregister(HarmonicUpperBoundSphereDiameterPairScore)
10079 r"""Proxy of C++ IMP::core::HarmonicSphereDistancePairScore class."""
10081 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10083 def __init__(self, *args):
10085 __init__(HarmonicSphereDistancePairScore self, double x0, double k, std::string name="HarmonicSphereDistancePairScore%1%") -> HarmonicSphereDistancePairScore
10086 __init__(HarmonicSphereDistancePairScore self) -> HarmonicSphereDistancePairScore
10088 _IMP_core.HarmonicSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSphereDistancePairScore(*args))
10090 def do_get_inputs(self, m, pis):
10091 r"""do_get_inputs(HarmonicSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10092 return _IMP_core.HarmonicSphereDistancePairScore_do_get_inputs(self, m, pis)
10094 def get_score_functor(self, *args):
10096 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore
10097 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore const &
10099 return _IMP_core.HarmonicSphereDistancePairScore_get_score_functor(self, *args)
10102 r"""get_x0(HarmonicSphereDistancePairScore self) -> double"""
10103 return _IMP_core.HarmonicSphereDistancePairScore_get_x0(self)
10106 r"""get_k(HarmonicSphereDistancePairScore self) -> double"""
10107 return _IMP_core.HarmonicSphereDistancePairScore_get_k(self)
10109 def get_version_info(self):
10110 r"""get_version_info(HarmonicSphereDistancePairScore self) -> VersionInfo"""
10111 return _IMP_core.HarmonicSphereDistancePairScore_get_version_info(self)
10112 __swig_destroy__ = _IMP_core.delete_HarmonicSphereDistancePairScore
10115 r"""__str__(HarmonicSphereDistancePairScore self) -> std::string"""
10116 return _IMP_core.HarmonicSphereDistancePairScore___str__(self)
10118 def __repr__(self):
10119 r"""__repr__(HarmonicSphereDistancePairScore self) -> std::string"""
10120 return _IMP_core.HarmonicSphereDistancePairScore___repr__(self)
10124 return _object_cast_to_HarmonicSphereDistancePairScore(o)
10127 def _get_as_binary(self):
10128 r"""_get_as_binary(HarmonicSphereDistancePairScore self) -> PyObject *"""
10129 return _IMP_core.HarmonicSphereDistancePairScore__get_as_binary(self)
10131 def _set_from_binary(self, p):
10132 r"""_set_from_binary(HarmonicSphereDistancePairScore self, PyObject * p)"""
10133 return _IMP_core.HarmonicSphereDistancePairScore__set_from_binary(self, p)
10135 def __getstate__(self):
10136 p = self._get_as_binary()
10137 if len(self.__dict__) > 1:
10138 d = self.__dict__.copy()
10143 def __setstate__(self, p):
10144 if not hasattr(self,
'this'):
10146 if isinstance(p, tuple):
10148 self.__dict__.update(d)
10149 return self._set_from_binary(p)
10152 def _get_jax(self, m, indexes):
10153 import jax.numpy
as jnp
10154 def jax_score(jm, d, k):
10155 xyzs = jm[
'xyz'][indexes]
10156 rs = jm[
'r'][indexes]
10157 diff = xyzs[:,0] - xyzs[:,1]
10158 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
10159 return 0.5 * k * (d - drs)**2
10160 f = functools.partial(jax_score, d=self.get_x0(), k=self.get_k())
10161 return self._wrap_jax(m, f)
10165 _IMP_core.HarmonicSphereDistancePairScore_swigregister(HarmonicSphereDistancePairScore)
10167 r"""Proxy of C++ IMP::core::NormalizedSphereDistancePairScore class."""
10169 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10171 def __init__(self, *args):
10172 r"""__init__(NormalizedSphereDistancePairScore self, UnaryFunction f, FloatKey radius=IMP::FloatKey("radius")) -> NormalizedSphereDistancePairScore"""
10173 _IMP_core.NormalizedSphereDistancePairScore_swiginit(self, _IMP_core.new_NormalizedSphereDistancePairScore(*args))
10175 def do_get_inputs(self, m, pis):
10176 r"""do_get_inputs(NormalizedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10177 return _IMP_core.NormalizedSphereDistancePairScore_do_get_inputs(self, m, pis)
10179 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10180 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"""
10181 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10183 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10184 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"""
10185 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10187 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10188 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"""
10189 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10191 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10192 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"""
10193 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10195 def get_version_info(self):
10196 r"""get_version_info(NormalizedSphereDistancePairScore self) -> VersionInfo"""
10197 return _IMP_core.NormalizedSphereDistancePairScore_get_version_info(self)
10198 __swig_destroy__ = _IMP_core.delete_NormalizedSphereDistancePairScore
10201 r"""__str__(NormalizedSphereDistancePairScore self) -> std::string"""
10202 return _IMP_core.NormalizedSphereDistancePairScore___str__(self)
10204 def __repr__(self):
10205 r"""__repr__(NormalizedSphereDistancePairScore self) -> std::string"""
10206 return _IMP_core.NormalizedSphereDistancePairScore___repr__(self)
10210 return _object_cast_to_NormalizedSphereDistancePairScore(o)
10214 _IMP_core.NormalizedSphereDistancePairScore_swigregister(NormalizedSphereDistancePairScore)
10216 r"""Proxy of C++ IMP::core::WeightedSphereDistancePairScore class."""
10218 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10220 def __init__(self, *args):
10221 r"""__init__(WeightedSphereDistancePairScore self, UnaryFunction f, FloatKey weight, FloatKey radius=IMP::FloatKey("radius")) -> WeightedSphereDistancePairScore"""
10222 _IMP_core.WeightedSphereDistancePairScore_swiginit(self, _IMP_core.new_WeightedSphereDistancePairScore(*args))
10224 def do_get_inputs(self, m, pis):
10225 r"""do_get_inputs(WeightedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10226 return _IMP_core.WeightedSphereDistancePairScore_do_get_inputs(self, m, pis)
10228 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10229 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"""
10230 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10232 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10233 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"""
10234 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10236 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10237 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"""
10238 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10240 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10241 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"""
10242 return _IMP_core.WeightedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10244 def get_version_info(self):
10245 r"""get_version_info(WeightedSphereDistancePairScore self) -> VersionInfo"""
10246 return _IMP_core.WeightedSphereDistancePairScore_get_version_info(self)
10247 __swig_destroy__ = _IMP_core.delete_WeightedSphereDistancePairScore
10250 r"""__str__(WeightedSphereDistancePairScore self) -> std::string"""
10251 return _IMP_core.WeightedSphereDistancePairScore___str__(self)
10253 def __repr__(self):
10254 r"""__repr__(WeightedSphereDistancePairScore self) -> std::string"""
10255 return _IMP_core.WeightedSphereDistancePairScore___repr__(self)
10259 return _object_cast_to_WeightedSphereDistancePairScore(o)
10263 _IMP_core.WeightedSphereDistancePairScore_swigregister(WeightedSphereDistancePairScore)
10265 r"""Proxy of C++ IMP::core::SoftSpherePairScore class."""
10267 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10269 def __init__(self, *args):
10271 __init__(SoftSpherePairScore self, double k, std::string name="SoftSpherePairScore%1%") -> SoftSpherePairScore
10272 __init__(SoftSpherePairScore self) -> SoftSpherePairScore
10274 _IMP_core.SoftSpherePairScore_swiginit(self, _IMP_core.new_SoftSpherePairScore(*args))
10276 def do_get_inputs(self, m, pis):
10277 r"""do_get_inputs(SoftSpherePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10278 return _IMP_core.SoftSpherePairScore_do_get_inputs(self, m, pis)
10280 def get_score_functor(self, *args):
10282 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore
10283 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore const &
10285 return _IMP_core.SoftSpherePairScore_get_score_functor(self, *args)
10288 r"""get_k(SoftSpherePairScore self) -> double"""
10289 return _IMP_core.SoftSpherePairScore_get_k(self)
10291 def get_version_info(self):
10292 r"""get_version_info(SoftSpherePairScore self) -> VersionInfo"""
10293 return _IMP_core.SoftSpherePairScore_get_version_info(self)
10294 __swig_destroy__ = _IMP_core.delete_SoftSpherePairScore
10297 r"""__str__(SoftSpherePairScore self) -> std::string"""
10298 return _IMP_core.SoftSpherePairScore___str__(self)
10300 def __repr__(self):
10301 r"""__repr__(SoftSpherePairScore self) -> std::string"""
10302 return _IMP_core.SoftSpherePairScore___repr__(self)
10306 return _object_cast_to_SoftSpherePairScore(o)
10309 def _get_as_binary(self):
10310 r"""_get_as_binary(SoftSpherePairScore self) -> PyObject *"""
10311 return _IMP_core.SoftSpherePairScore__get_as_binary(self)
10313 def _set_from_binary(self, p):
10314 r"""_set_from_binary(SoftSpherePairScore self, PyObject * p)"""
10315 return _IMP_core.SoftSpherePairScore__set_from_binary(self, p)
10317 def __getstate__(self):
10318 p = self._get_as_binary()
10319 if len(self.__dict__) > 1:
10320 d = self.__dict__.copy()
10325 def __setstate__(self, p):
10326 if not hasattr(self,
'this'):
10328 if isinstance(p, tuple):
10330 self.__dict__.update(d)
10331 return self._set_from_binary(p)
10334 def _get_jax(self, m, indexes):
10335 import jax.numpy
as jnp
10337 def jax_score(jm, k):
10338 xyzs = jm[
'xyz'][indexes]
10339 rs = jm[
'r'][indexes]
10340 diff = xyzs[:,0] - xyzs[:,1]
10341 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
10342 return 0.5 * k * jax.lax.min(drs, 0.0) ** 2
10343 f = functools.partial(jax_score, k=self.get_k())
10344 return self._wrap_jax(m, f)
10348 _IMP_core.SoftSpherePairScore_swigregister(SoftSpherePairScore)
10350 r"""Proxy of C++ IMP::core::SurfaceDistancePairScore class."""
10352 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10354 def __init__(self, *args):
10355 r"""__init__(SurfaceDistancePairScore self, UnaryFunction uf, std::string name="SurfaceDistancePairScore%1%") -> SurfaceDistancePairScore"""
10356 _IMP_core.SurfaceDistancePairScore_swiginit(self, _IMP_core.new_SurfaceDistancePairScore(*args))
10358 def do_get_inputs(self, m, pis):
10359 r"""do_get_inputs(SurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10360 return _IMP_core.SurfaceDistancePairScore_do_get_inputs(self, m, pis)
10362 def get_version_info(self):
10363 r"""get_version_info(SurfaceDistancePairScore self) -> VersionInfo"""
10364 return _IMP_core.SurfaceDistancePairScore_get_version_info(self)
10365 __swig_destroy__ = _IMP_core.delete_SurfaceDistancePairScore
10368 r"""__str__(SurfaceDistancePairScore self) -> std::string"""
10369 return _IMP_core.SurfaceDistancePairScore___str__(self)
10371 def __repr__(self):
10372 r"""__repr__(SurfaceDistancePairScore self) -> std::string"""
10373 return _IMP_core.SurfaceDistancePairScore___repr__(self)
10377 return _object_cast_to_SurfaceDistancePairScore(o)
10381 _IMP_core.SurfaceDistancePairScore_swigregister(SurfaceDistancePairScore)
10383 r"""Proxy of C++ IMP::core::SurfaceHeightPairScore class."""
10385 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10387 def __init__(self, *args):
10388 r"""__init__(SurfaceHeightPairScore self, UnaryFunction uf, std::string name="SurfaceHeightPairScore%1%") -> SurfaceHeightPairScore"""
10389 _IMP_core.SurfaceHeightPairScore_swiginit(self, _IMP_core.new_SurfaceHeightPairScore(*args))
10391 def do_get_inputs(self, m, pis):
10392 r"""do_get_inputs(SurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10393 return _IMP_core.SurfaceHeightPairScore_do_get_inputs(self, m, pis)
10395 def get_version_info(self):
10396 r"""get_version_info(SurfaceHeightPairScore self) -> VersionInfo"""
10397 return _IMP_core.SurfaceHeightPairScore_get_version_info(self)
10398 __swig_destroy__ = _IMP_core.delete_SurfaceHeightPairScore
10401 r"""__str__(SurfaceHeightPairScore self) -> std::string"""
10402 return _IMP_core.SurfaceHeightPairScore___str__(self)
10404 def __repr__(self):
10405 r"""__repr__(SurfaceHeightPairScore self) -> std::string"""
10406 return _IMP_core.SurfaceHeightPairScore___repr__(self)
10410 return _object_cast_to_SurfaceHeightPairScore(o)
10414 _IMP_core.SurfaceHeightPairScore_swigregister(SurfaceHeightPairScore)
10416 r"""Proxy of C++ IMP::core::SurfaceDepthPairScore class."""
10418 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10420 def __init__(self, *args):
10421 r"""__init__(SurfaceDepthPairScore self, UnaryFunction uf, std::string name="SurfaceDepthPairScore%1%") -> SurfaceDepthPairScore"""
10422 _IMP_core.SurfaceDepthPairScore_swiginit(self, _IMP_core.new_SurfaceDepthPairScore(*args))
10424 def do_get_inputs(self, m, pis):
10425 r"""do_get_inputs(SurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10426 return _IMP_core.SurfaceDepthPairScore_do_get_inputs(self, m, pis)
10428 def get_version_info(self):
10429 r"""get_version_info(SurfaceDepthPairScore self) -> VersionInfo"""
10430 return _IMP_core.SurfaceDepthPairScore_get_version_info(self)
10431 __swig_destroy__ = _IMP_core.delete_SurfaceDepthPairScore
10434 r"""__str__(SurfaceDepthPairScore self) -> std::string"""
10435 return _IMP_core.SurfaceDepthPairScore___str__(self)
10437 def __repr__(self):
10438 r"""__repr__(SurfaceDepthPairScore self) -> std::string"""
10439 return _IMP_core.SurfaceDepthPairScore___repr__(self)
10443 return _object_cast_to_SurfaceDepthPairScore(o)
10447 _IMP_core.SurfaceDepthPairScore_swigregister(SurfaceDepthPairScore)
10449 r"""Proxy of C++ IMP::core::HarmonicSurfaceDistancePairScore class."""
10451 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10453 def __init__(self, *args):
10454 r"""__init__(HarmonicSurfaceDistancePairScore self, double x0, double k, std::string name="HarmonicSurfaceDistancePairScore%1%") -> HarmonicSurfaceDistancePairScore"""
10455 _IMP_core.HarmonicSurfaceDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDistancePairScore(*args))
10457 def do_get_inputs(self, m, pis):
10458 r"""do_get_inputs(HarmonicSurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10459 return _IMP_core.HarmonicSurfaceDistancePairScore_do_get_inputs(self, m, pis)
10461 def get_version_info(self):
10462 r"""get_version_info(HarmonicSurfaceDistancePairScore self) -> VersionInfo"""
10463 return _IMP_core.HarmonicSurfaceDistancePairScore_get_version_info(self)
10464 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDistancePairScore
10467 r"""__str__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10468 return _IMP_core.HarmonicSurfaceDistancePairScore___str__(self)
10470 def __repr__(self):
10471 r"""__repr__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10472 return _IMP_core.HarmonicSurfaceDistancePairScore___repr__(self)
10476 return _object_cast_to_HarmonicSurfaceDistancePairScore(o)
10480 _IMP_core.HarmonicSurfaceDistancePairScore_swigregister(HarmonicSurfaceDistancePairScore)
10482 r"""Proxy of C++ IMP::core::HarmonicSurfaceHeightPairScore class."""
10484 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10486 def __init__(self, *args):
10487 r"""__init__(HarmonicSurfaceHeightPairScore self, double x0, double k, std::string name="HarmonicSurfaceHeightPairScore%1%") -> HarmonicSurfaceHeightPairScore"""
10488 _IMP_core.HarmonicSurfaceHeightPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceHeightPairScore(*args))
10490 def do_get_inputs(self, m, pis):
10491 r"""do_get_inputs(HarmonicSurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10492 return _IMP_core.HarmonicSurfaceHeightPairScore_do_get_inputs(self, m, pis)
10494 def get_version_info(self):
10495 r"""get_version_info(HarmonicSurfaceHeightPairScore self) -> VersionInfo"""
10496 return _IMP_core.HarmonicSurfaceHeightPairScore_get_version_info(self)
10497 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceHeightPairScore
10500 r"""__str__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10501 return _IMP_core.HarmonicSurfaceHeightPairScore___str__(self)
10503 def __repr__(self):
10504 r"""__repr__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10505 return _IMP_core.HarmonicSurfaceHeightPairScore___repr__(self)
10509 return _object_cast_to_HarmonicSurfaceHeightPairScore(o)
10513 _IMP_core.HarmonicSurfaceHeightPairScore_swigregister(HarmonicSurfaceHeightPairScore)
10515 r"""Proxy of C++ IMP::core::HarmonicSurfaceDepthPairScore class."""
10517 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10519 def __init__(self, *args):
10520 r"""__init__(HarmonicSurfaceDepthPairScore self, double x0, double k, std::string name="HarmonicSurfaceDepthPairScore%1%") -> HarmonicSurfaceDepthPairScore"""
10521 _IMP_core.HarmonicSurfaceDepthPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDepthPairScore(*args))
10523 def do_get_inputs(self, m, pis):
10524 r"""do_get_inputs(HarmonicSurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10525 return _IMP_core.HarmonicSurfaceDepthPairScore_do_get_inputs(self, m, pis)
10527 def get_version_info(self):
10528 r"""get_version_info(HarmonicSurfaceDepthPairScore self) -> VersionInfo"""
10529 return _IMP_core.HarmonicSurfaceDepthPairScore_get_version_info(self)
10530 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDepthPairScore
10533 r"""__str__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10534 return _IMP_core.HarmonicSurfaceDepthPairScore___str__(self)
10536 def __repr__(self):
10537 r"""__repr__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10538 return _IMP_core.HarmonicSurfaceDepthPairScore___repr__(self)
10542 return _object_cast_to_HarmonicSurfaceDepthPairScore(o)
10546 _IMP_core.HarmonicSurfaceDepthPairScore_swigregister(HarmonicSurfaceDepthPairScore)
10548 r"""Proxy of C++ IMP::core::SoftSuperSurfacePairScore class."""
10550 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10552 def __init__(self, *args):
10553 r"""__init__(SoftSuperSurfacePairScore self, double k, std::string name="SoftSuperSurfacePairScore%1%") -> SoftSuperSurfacePairScore"""
10554 _IMP_core.SoftSuperSurfacePairScore_swiginit(self, _IMP_core.new_SoftSuperSurfacePairScore(*args))
10556 def do_get_inputs(self, m, pis):
10557 r"""do_get_inputs(SoftSuperSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10558 return _IMP_core.SoftSuperSurfacePairScore_do_get_inputs(self, m, pis)
10560 def get_version_info(self):
10561 r"""get_version_info(SoftSuperSurfacePairScore self) -> VersionInfo"""
10562 return _IMP_core.SoftSuperSurfacePairScore_get_version_info(self)
10563 __swig_destroy__ = _IMP_core.delete_SoftSuperSurfacePairScore
10566 r"""__str__(SoftSuperSurfacePairScore self) -> std::string"""
10567 return _IMP_core.SoftSuperSurfacePairScore___str__(self)
10569 def __repr__(self):
10570 r"""__repr__(SoftSuperSurfacePairScore self) -> std::string"""
10571 return _IMP_core.SoftSuperSurfacePairScore___repr__(self)
10575 return _object_cast_to_SoftSuperSurfacePairScore(o)
10579 _IMP_core.SoftSuperSurfacePairScore_swigregister(SoftSuperSurfacePairScore)
10581 r"""Proxy of C++ IMP::core::SoftSubSurfacePairScore class."""
10583 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10585 def __init__(self, *args):
10586 r"""__init__(SoftSubSurfacePairScore self, double k, std::string name="SoftSubSurfacePairScore%1%") -> SoftSubSurfacePairScore"""
10587 _IMP_core.SoftSubSurfacePairScore_swiginit(self, _IMP_core.new_SoftSubSurfacePairScore(*args))
10589 def do_get_inputs(self, m, pis):
10590 r"""do_get_inputs(SoftSubSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10591 return _IMP_core.SoftSubSurfacePairScore_do_get_inputs(self, m, pis)
10593 def get_version_info(self):
10594 r"""get_version_info(SoftSubSurfacePairScore self) -> VersionInfo"""
10595 return _IMP_core.SoftSubSurfacePairScore_get_version_info(self)
10596 __swig_destroy__ = _IMP_core.delete_SoftSubSurfacePairScore
10599 r"""__str__(SoftSubSurfacePairScore self) -> std::string"""
10600 return _IMP_core.SoftSubSurfacePairScore___str__(self)
10602 def __repr__(self):
10603 r"""__repr__(SoftSubSurfacePairScore self) -> std::string"""
10604 return _IMP_core.SoftSubSurfacePairScore___repr__(self)
10608 return _object_cast_to_SoftSubSurfacePairScore(o)
10612 _IMP_core.SoftSubSurfacePairScore_swigregister(SoftSubSurfacePairScore)
10614 r"""Proxy of C++ IMP::core::SurfaceTetheredChain class."""
10616 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10618 def __init__(self, link_num, link_length):
10619 r"""__init__(SurfaceTetheredChain self, int link_num, double link_length) -> SurfaceTetheredChain"""
10620 _IMP_core.SurfaceTetheredChain_swiginit(self, _IMP_core.new_SurfaceTetheredChain(link_num, link_length))
10622 def get_version_info(self):
10623 r"""get_version_info(SurfaceTetheredChain self) -> VersionInfo"""
10624 return _IMP_core.SurfaceTetheredChain_get_version_info(self)
10625 __swig_destroy__ = _IMP_core.delete_SurfaceTetheredChain
10627 def get_link_number(self):
10628 r"""get_link_number(SurfaceTetheredChain self) -> int"""
10629 return _IMP_core.SurfaceTetheredChain_get_link_number(self)
10631 def get_link_length(self):
10632 r"""get_link_length(SurfaceTetheredChain self) -> double"""
10633 return _IMP_core.SurfaceTetheredChain_get_link_length(self)
10635 def set_link_number(self, N):
10636 r"""set_link_number(SurfaceTetheredChain self, int N)"""
10637 return _IMP_core.SurfaceTetheredChain_set_link_number(self, N)
10639 def set_link_length(self, b):
10640 r"""set_link_length(SurfaceTetheredChain self, double b)"""
10641 return _IMP_core.SurfaceTetheredChain_set_link_length(self, b)
10643 def get_distance_at_minimum(self):
10644 r"""get_distance_at_minimum(SurfaceTetheredChain self) -> double"""
10645 return _IMP_core.SurfaceTetheredChain_get_distance_at_minimum(self)
10647 def get_average_distance(self):
10648 r"""get_average_distance(SurfaceTetheredChain self) -> double"""
10649 return _IMP_core.SurfaceTetheredChain_get_average_distance(self)
10652 r"""__str__(SurfaceTetheredChain self) -> std::string"""
10653 return _IMP_core.SurfaceTetheredChain___str__(self)
10655 def __repr__(self):
10656 r"""__repr__(SurfaceTetheredChain self) -> std::string"""
10657 return _IMP_core.SurfaceTetheredChain___repr__(self)
10661 return _object_cast_to_SurfaceTetheredChain(o)
10665 _IMP_core.SurfaceTetheredChain_swigregister(SurfaceTetheredChain)
10667 r"""Proxy of C++ IMP::core::SurfaceSymmetryConstraint class."""
10669 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10671 def __init__(self, m, ss, rbs):
10672 r"""__init__(SurfaceSymmetryConstraint self, Model m, IMP::ParticleIndexPair const & ss, IMP::ParticleIndexPair const & rbs) -> SurfaceSymmetryConstraint"""
10673 _IMP_core.SurfaceSymmetryConstraint_swiginit(self, _IMP_core.new_SurfaceSymmetryConstraint(m, ss, rbs))
10675 def do_get_inputs(self):
10676 r"""do_get_inputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10677 return _IMP_core.SurfaceSymmetryConstraint_do_get_inputs(self)
10679 def do_get_outputs(self):
10680 r"""do_get_outputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10681 return _IMP_core.SurfaceSymmetryConstraint_do_get_outputs(self)
10683 def get_version_info(self):
10684 r"""get_version_info(SurfaceSymmetryConstraint self) -> VersionInfo"""
10685 return _IMP_core.SurfaceSymmetryConstraint_get_version_info(self)
10686 __swig_destroy__ = _IMP_core.delete_SurfaceSymmetryConstraint
10689 r"""__str__(SurfaceSymmetryConstraint self) -> std::string"""
10690 return _IMP_core.SurfaceSymmetryConstraint___str__(self)
10692 def __repr__(self):
10693 r"""__repr__(SurfaceSymmetryConstraint self) -> std::string"""
10694 return _IMP_core.SurfaceSymmetryConstraint___repr__(self)
10698 return _object_cast_to_SurfaceSymmetryConstraint(o)
10702 _IMP_core.SurfaceSymmetryConstraint_swigregister(SurfaceSymmetryConstraint)
10704 r"""Proxy of C++ IMP::core::SteepestDescent class."""
10706 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10708 def __init__(self, *args):
10709 r"""__init__(SteepestDescent self, Model m, std::string name="SteepestDescent%1%") -> SteepestDescent"""
10710 _IMP_core.SteepestDescent_swiginit(self, _IMP_core.new_SteepestDescent(*args))
10712 def do_optimize(self, max_steps):
10713 r"""do_optimize(SteepestDescent self, unsigned int max_steps) -> IMP::Float"""
10714 return _IMP_core.SteepestDescent_do_optimize(self, max_steps)
10716 def get_version_info(self):
10717 r"""get_version_info(SteepestDescent self) -> VersionInfo"""
10718 return _IMP_core.SteepestDescent_get_version_info(self)
10719 __swig_destroy__ = _IMP_core.delete_SteepestDescent
10721 def set_threshold(self, t):
10722 r"""set_threshold(SteepestDescent self, IMP::Float t)"""
10723 return _IMP_core.SteepestDescent_set_threshold(self, t)
10725 def set_step_size(self, t):
10726 r"""set_step_size(SteepestDescent self, IMP::Float t)"""
10727 return _IMP_core.SteepestDescent_set_step_size(self, t)
10729 def set_maximum_step_size(self, t):
10730 r"""set_maximum_step_size(SteepestDescent self, IMP::Float t)"""
10731 return _IMP_core.SteepestDescent_set_maximum_step_size(self, t)
10734 r"""__str__(SteepestDescent self) -> std::string"""
10735 return _IMP_core.SteepestDescent___str__(self)
10737 def __repr__(self):
10738 r"""__repr__(SteepestDescent self) -> std::string"""
10739 return _IMP_core.SteepestDescent___repr__(self)
10743 return _object_cast_to_SteepestDescent(o)
10747 _IMP_core.SteepestDescent_swigregister(SteepestDescent)
10749 r"""Proxy of C++ IMP::core::TransformedDistancePairScore class."""
10751 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10753 def __init__(self, f, transformation):
10754 r"""__init__(TransformedDistancePairScore self, UnaryFunction f, Transformation3D transformation) -> TransformedDistancePairScore"""
10755 _IMP_core.TransformedDistancePairScore_swiginit(self, _IMP_core.new_TransformedDistancePairScore(f, transformation))
10757 def set_transformation(self, rot):
10758 r"""set_transformation(TransformedDistancePairScore self, Transformation3D rot)"""
10759 return _IMP_core.TransformedDistancePairScore_set_transformation(self, rot)
10761 def do_get_inputs(self, m, pis):
10762 r"""do_get_inputs(TransformedDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10763 return _IMP_core.TransformedDistancePairScore_do_get_inputs(self, m, pis)
10765 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10766 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"""
10767 return _IMP_core.TransformedDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10769 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10770 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"""
10771 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10773 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10774 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"""
10775 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10777 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10778 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"""
10779 return _IMP_core.TransformedDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10781 def get_version_info(self):
10782 r"""get_version_info(TransformedDistancePairScore self) -> VersionInfo"""
10783 return _IMP_core.TransformedDistancePairScore_get_version_info(self)
10784 __swig_destroy__ = _IMP_core.delete_TransformedDistancePairScore
10787 r"""__str__(TransformedDistancePairScore self) -> std::string"""
10788 return _IMP_core.TransformedDistancePairScore___str__(self)
10790 def __repr__(self):
10791 r"""__repr__(TransformedDistancePairScore self) -> std::string"""
10792 return _IMP_core.TransformedDistancePairScore___repr__(self)
10796 return _object_cast_to_TransformedDistancePairScore(o)
10800 _IMP_core.TransformedDistancePairScore_swigregister(TransformedDistancePairScore)
10802 r"""Proxy of C++ IMP::core::TypedPairScore class."""
10804 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10806 def __init__(self, typekey, allow_invalid_types=True):
10807 r"""__init__(TypedPairScore self, IntKey typekey, bool allow_invalid_types=True) -> TypedPairScore"""
10808 _IMP_core.TypedPairScore_swiginit(self, _IMP_core.new_TypedPairScore(typekey, allow_invalid_types))
10810 def set_particle_type(self, arg2):
10811 r"""set_particle_type(TypedPairScore self, Particle arg2)"""
10812 return _IMP_core.TypedPairScore_set_particle_type(self, arg2)
10814 def set_pair_score(self, ps, atype, btype):
10815 r"""set_pair_score(TypedPairScore self, PairScore ps, IMP::Int atype, IMP::Int btype)"""
10816 return _IMP_core.TypedPairScore_set_pair_score(self, ps, atype, btype)
10818 def do_get_inputs(self, m, pis):
10819 r"""do_get_inputs(TypedPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10820 return _IMP_core.TypedPairScore_do_get_inputs(self, m, pis)
10822 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10823 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"""
10824 return _IMP_core.TypedPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10826 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10827 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"""
10828 return _IMP_core.TypedPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10830 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10831 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"""
10832 return _IMP_core.TypedPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10834 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10835 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"""
10836 return _IMP_core.TypedPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10838 def get_version_info(self):
10839 r"""get_version_info(TypedPairScore self) -> VersionInfo"""
10840 return _IMP_core.TypedPairScore_get_version_info(self)
10841 __swig_destroy__ = _IMP_core.delete_TypedPairScore
10844 r"""__str__(TypedPairScore self) -> std::string"""
10845 return _IMP_core.TypedPairScore___str__(self)
10847 def __repr__(self):
10848 r"""__repr__(TypedPairScore self) -> std::string"""
10849 return _IMP_core.TypedPairScore___repr__(self)
10853 return _object_cast_to_TypedPairScore(o)
10857 _IMP_core.TypedPairScore_swigregister(TypedPairScore)
10858 class RigidBodyDistancePairScore(KClosePairsPairScore):
10859 r"""Proxy of C++ IMP::core::RigidBodyDistancePairScore class."""
10861 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10863 def __init__(self, ps, r):
10864 r"""__init__(RigidBodyDistancePairScore self, PairScore ps, Refiner r) -> RigidBodyDistancePairScore"""
10865 _IMP_core.RigidBodyDistancePairScore_swiginit(self, _IMP_core.new_RigidBodyDistancePairScore(ps, r))
10868 r"""__str__(RigidBodyDistancePairScore self) -> std::string"""
10869 return _IMP_core.RigidBodyDistancePairScore___str__(self)
10871 def __repr__(self):
10872 r"""__repr__(RigidBodyDistancePairScore self) -> std::string"""
10873 return _IMP_core.RigidBodyDistancePairScore___repr__(self)
10877 return _object_cast_to_RigidBodyDistancePairScore(o)
10879 __swig_destroy__ = _IMP_core.delete_RigidBodyDistancePairScore
10882 _IMP_core.RigidBodyDistancePairScore_swigregister(RigidBodyDistancePairScore)
10884 r"""Proxy of C++ IMP::core::RigidBodyAnglePairScore class."""
10886 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10888 def __init__(self, f):
10889 r"""__init__(RigidBodyAnglePairScore self, UnaryFunction f) -> RigidBodyAnglePairScore"""
10890 _IMP_core.RigidBodyAnglePairScore_swiginit(self, _IMP_core.new_RigidBodyAnglePairScore(f))
10892 def do_get_inputs(self, m, pis):
10893 r"""do_get_inputs(RigidBodyAnglePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10894 return _IMP_core.RigidBodyAnglePairScore_do_get_inputs(self, m, pis)
10896 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10897 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"""
10898 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10900 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10901 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"""
10902 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10904 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10905 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"""
10906 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10908 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10909 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"""
10910 return _IMP_core.RigidBodyAnglePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10912 def get_version_info(self):
10913 r"""get_version_info(RigidBodyAnglePairScore self) -> VersionInfo"""
10914 return _IMP_core.RigidBodyAnglePairScore_get_version_info(self)
10915 __swig_destroy__ = _IMP_core.delete_RigidBodyAnglePairScore
10918 r"""__str__(RigidBodyAnglePairScore self) -> std::string"""
10919 return _IMP_core.RigidBodyAnglePairScore___str__(self)
10921 def __repr__(self):
10922 r"""__repr__(RigidBodyAnglePairScore self) -> std::string"""
10923 return _IMP_core.RigidBodyAnglePairScore___repr__(self)
10927 return _object_cast_to_RigidBodyAnglePairScore(o)
10931 _IMP_core.RigidBodyAnglePairScore_swigregister(RigidBodyAnglePairScore)
10933 r"""Proxy of C++ IMP::core::TableRefiner class."""
10935 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10937 def __init__(self):
10938 r"""__init__(TableRefiner self) -> TableRefiner"""
10939 _IMP_core.TableRefiner_swiginit(self, _IMP_core.new_TableRefiner())
10942 r"""add_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
10943 return _IMP_core.TableRefiner_add_particle(self, p, ps)
10945 def remove_particle(self, p):
10946 r"""remove_particle(TableRefiner self, Particle p)"""
10947 return _IMP_core.TableRefiner_remove_particle(self, p)
10949 def set_particle(self, p, ps):
10950 r"""set_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
10951 return _IMP_core.TableRefiner_set_particle(self, p, ps)
10953 def do_get_inputs(self, m, pis):
10954 r"""do_get_inputs(TableRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10955 return _IMP_core.TableRefiner_do_get_inputs(self, m, pis)
10957 def get_version_info(self):
10958 r"""get_version_info(TableRefiner self) -> VersionInfo"""
10959 return _IMP_core.TableRefiner_get_version_info(self)
10960 __swig_destroy__ = _IMP_core.delete_TableRefiner
10963 r"""__str__(TableRefiner self) -> std::string"""
10964 return _IMP_core.TableRefiner___str__(self)
10966 def __repr__(self):
10967 r"""__repr__(TableRefiner self) -> std::string"""
10968 return _IMP_core.TableRefiner___repr__(self)
10972 return _object_cast_to_TableRefiner(o)
10976 _IMP_core.TableRefiner_swigregister(TableRefiner)
10977 LOWER = _IMP_core.LOWER
10979 BOTH = _IMP_core.BOTH
10981 UPPER = _IMP_core.UPPER
10984 r"""Proxy of C++ IMP::core::MCCGSampler class."""
10986 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10988 def __init__(self, *args):
10989 r"""__init__(MCCGSampler self, Model m, std::string name="MCCG Sampler %1%") -> MCCGSampler"""
10990 _IMP_core.MCCGSampler_swiginit(self, _IMP_core.new_MCCGSampler(*args))
10992 def set_bounding_box(self, bb):
10993 r"""set_bounding_box(MCCGSampler self, BoundingBox3D bb)"""
10994 return _IMP_core.MCCGSampler_set_bounding_box(self, bb)
10996 def set_number_of_attempts(self, att):
10997 r"""set_number_of_attempts(MCCGSampler self, unsigned int att)"""
10998 return _IMP_core.MCCGSampler_set_number_of_attempts(self, att)
11000 def set_number_of_monte_carlo_steps(self, cg):
11001 r"""set_number_of_monte_carlo_steps(MCCGSampler self, unsigned int cg)"""
11002 return _IMP_core.MCCGSampler_set_number_of_monte_carlo_steps(self, cg)
11004 def set_number_of_conjugate_gradient_steps(self, cg):
11005 r"""set_number_of_conjugate_gradient_steps(MCCGSampler self, unsigned int cg)"""
11006 return _IMP_core.MCCGSampler_set_number_of_conjugate_gradient_steps(self, cg)
11008 def set_max_monte_carlo_step_size(self, *args):
11010 set_max_monte_carlo_step_size(MCCGSampler self, double d)
11011 set_max_monte_carlo_step_size(MCCGSampler self, FloatKey k, double d)
11013 return _IMP_core.MCCGSampler_set_max_monte_carlo_step_size(self, *args)
11015 def set_is_refining(self, tf):
11016 r"""set_is_refining(MCCGSampler self, bool tf)"""
11017 return _IMP_core.MCCGSampler_set_is_refining(self, tf)
11019 def set_local_optimizer(self, opt):
11020 r"""set_local_optimizer(MCCGSampler self, Optimizer opt)"""
11021 return _IMP_core.MCCGSampler_set_local_optimizer(self, opt)
11023 def set_save_rejected_configurations(self, tf):
11024 r"""set_save_rejected_configurations(MCCGSampler self, bool tf)"""
11025 return _IMP_core.MCCGSampler_set_save_rejected_configurations(self, tf)
11027 def get_rejected_configurations(self):
11028 r"""get_rejected_configurations(MCCGSampler self) -> ConfigurationSet"""
11029 return _IMP_core.MCCGSampler_get_rejected_configurations(self)
11030 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)
11031 def __set_optimizer_states(self, obj): IMP._list_util.set_varlist(self.optimizer_states, obj)
11032 def __del_optimizer_states(self): IMP._list_util.del_varlist(self.optimizer_states)
11033 optimizer_states = property(__get_optimizer_states, __set_optimizer_states, __del_optimizer_states, doc=
"List of ##ucnames")
11035 def remove_optimizer_state(self, d):
11036 r"""remove_optimizer_state(MCCGSampler self, OptimizerState d)"""
11037 return _IMP_core.MCCGSampler_remove_optimizer_state(self, d)
11039 def _python_index_optimizer_state(self, d, start, stop):
11040 r"""_python_index_optimizer_state(MCCGSampler self, OptimizerState d, unsigned int start, unsigned int stop) -> unsigned int"""
11041 return _IMP_core.MCCGSampler__python_index_optimizer_state(self, d, start, stop)
11043 def remove_optimizer_states(self, d):
11044 r"""remove_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & d)"""
11045 return _IMP_core.MCCGSampler_remove_optimizer_states(self, d)
11047 def set_optimizer_states(self, ps):
11048 r"""set_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & ps)"""
11049 return _IMP_core.MCCGSampler_set_optimizer_states(self, ps)
11051 def set_optimizer_states_order(self, objs):
11052 r"""set_optimizer_states_order(MCCGSampler self, IMP::OptimizerStates const & objs)"""
11053 return _IMP_core.MCCGSampler_set_optimizer_states_order(self, objs)
11055 def add_optimizer_state(self, obj):
11056 r"""add_optimizer_state(MCCGSampler self, OptimizerState obj) -> unsigned int"""
11057 return _IMP_core.MCCGSampler_add_optimizer_state(self, obj)
11059 def add_optimizer_states(self, objs):
11060 r"""add_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & objs)"""
11061 return _IMP_core.MCCGSampler_add_optimizer_states(self, objs)
11063 def clear_optimizer_states(self):
11064 r"""clear_optimizer_states(MCCGSampler self)"""
11065 return _IMP_core.MCCGSampler_clear_optimizer_states(self)
11067 def get_number_of_optimizer_states(self):
11068 r"""get_number_of_optimizer_states(MCCGSampler self) -> unsigned int"""
11069 return _IMP_core.MCCGSampler_get_number_of_optimizer_states(self)
11071 def get_has_optimizer_states(self):
11072 r"""get_has_optimizer_states(MCCGSampler self) -> bool"""
11073 return _IMP_core.MCCGSampler_get_has_optimizer_states(self)
11075 def get_optimizer_state(self, i):
11076 r"""get_optimizer_state(MCCGSampler self, unsigned int i) -> OptimizerState"""
11077 return _IMP_core.MCCGSampler_get_optimizer_state(self, i)
11079 def get_optimizer_states(self):
11080 r"""get_optimizer_states(MCCGSampler self) -> IMP::OptimizerStates"""
11081 return _IMP_core.MCCGSampler_get_optimizer_states(self)
11083 def erase_optimizer_state(self, i):
11084 r"""erase_optimizer_state(MCCGSampler self, unsigned int i)"""
11085 return _IMP_core.MCCGSampler_erase_optimizer_state(self, i)
11087 def reserve_optimizer_states(self, sz):
11088 r"""reserve_optimizer_states(MCCGSampler self, unsigned int sz)"""
11089 return _IMP_core.MCCGSampler_reserve_optimizer_states(self, sz)
11091 def do_sample(self):
11092 r"""do_sample(MCCGSampler self) -> ConfigurationSet"""
11093 return _IMP_core.MCCGSampler_do_sample(self)
11095 def get_version_info(self):
11096 r"""get_version_info(MCCGSampler self) -> VersionInfo"""
11097 return _IMP_core.MCCGSampler_get_version_info(self)
11098 __swig_destroy__ = _IMP_core.delete_MCCGSampler
11101 r"""__str__(MCCGSampler self) -> std::string"""
11102 return _IMP_core.MCCGSampler___str__(self)
11104 def __repr__(self):
11105 r"""__repr__(MCCGSampler self) -> std::string"""
11106 return _IMP_core.MCCGSampler___repr__(self)
11110 return _object_cast_to_MCCGSampler(o)
11114 _IMP_core.MCCGSampler_swigregister(MCCGSampler)
11116 r"""Proxy of C++ IMP::core::MinimumRestraint class."""
11118 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11120 def __init__(self, *args):
11121 r"""__init__(MinimumRestraint self, unsigned int num, IMP::Restraints const & rs=IMP::Restraints(), std::string name="MinimumRestraint %1%") -> MinimumRestraint"""
11122 _IMP_core.MinimumRestraint_swiginit(self, _IMP_core.new_MinimumRestraint(*args))
11124 def do_get_inputs(self):
11125 r"""do_get_inputs(MinimumRestraint self) -> IMP::ModelObjectsTemp"""
11126 return _IMP_core.MinimumRestraint_do_get_inputs(self)
11128 def get_version_info(self):
11129 r"""get_version_info(MinimumRestraint self) -> VersionInfo"""
11130 return _IMP_core.MinimumRestraint_get_version_info(self)
11131 __swig_destroy__ = _IMP_core.delete_MinimumRestraint
11132 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)
11133 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
11134 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
11135 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##ucnames")
11137 def remove_restraint(self, d):
11138 r"""remove_restraint(MinimumRestraint self, Restraint d)"""
11139 return _IMP_core.MinimumRestraint_remove_restraint(self, d)
11141 def _python_index_restraint(self, d, start, stop):
11142 r"""_python_index_restraint(MinimumRestraint self, Restraint d, unsigned int start, unsigned int stop) -> unsigned int"""
11143 return _IMP_core.MinimumRestraint__python_index_restraint(self, d, start, stop)
11145 def remove_restraints(self, d):
11146 r"""remove_restraints(MinimumRestraint self, IMP::Restraints const & d)"""
11147 return _IMP_core.MinimumRestraint_remove_restraints(self, d)
11149 def set_restraints(self, ps):
11150 r"""set_restraints(MinimumRestraint self, IMP::Restraints const & ps)"""
11151 return _IMP_core.MinimumRestraint_set_restraints(self, ps)
11153 def set_restraints_order(self, objs):
11154 r"""set_restraints_order(MinimumRestraint self, IMP::Restraints const & objs)"""
11155 return _IMP_core.MinimumRestraint_set_restraints_order(self, objs)
11158 r"""add_restraint(MinimumRestraint self, Restraint obj) -> unsigned int"""
11159 return _IMP_core.MinimumRestraint_add_restraint(self, obj)
11162 r"""add_restraints(MinimumRestraint self, IMP::Restraints const & objs)"""
11163 return _IMP_core.MinimumRestraint_add_restraints(self, objs)
11165 def clear_restraints(self):
11166 r"""clear_restraints(MinimumRestraint self)"""
11167 return _IMP_core.MinimumRestraint_clear_restraints(self)
11169 def get_number_of_restraints(self):
11170 r"""get_number_of_restraints(MinimumRestraint self) -> unsigned int"""
11171 return _IMP_core.MinimumRestraint_get_number_of_restraints(self)
11173 def get_has_restraints(self):
11174 r"""get_has_restraints(MinimumRestraint self) -> bool"""
11175 return _IMP_core.MinimumRestraint_get_has_restraints(self)
11177 def get_restraint(self, i):
11178 r"""get_restraint(MinimumRestraint self, unsigned int i) -> Restraint"""
11179 return _IMP_core.MinimumRestraint_get_restraint(self, i)
11181 def get_restraints(self):
11182 r"""get_restraints(MinimumRestraint self) -> IMP::Restraints"""
11183 return _IMP_core.MinimumRestraint_get_restraints(self)
11185 def erase_restraint(self, i):
11186 r"""erase_restraint(MinimumRestraint self, unsigned int i)"""
11187 return _IMP_core.MinimumRestraint_erase_restraint(self, i)
11189 def reserve_restraints(self, sz):
11190 r"""reserve_restraints(MinimumRestraint self, unsigned int sz)"""
11191 return _IMP_core.MinimumRestraint_reserve_restraints(self, sz)
11194 r"""__str__(MinimumRestraint self) -> std::string"""
11195 return _IMP_core.MinimumRestraint___str__(self)
11197 def __repr__(self):
11198 r"""__repr__(MinimumRestraint self) -> std::string"""
11199 return _IMP_core.MinimumRestraint___repr__(self)
11203 return _object_cast_to_MinimumRestraint(o)
11207 _IMP_core.MinimumRestraint_swigregister(MinimumRestraint)
11208 class Gaussian(RigidBody):
11209 r"""Proxy of C++ IMP::core::Gaussian class."""
11211 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11213 def __init__(self, *args):
11215 __init__(Gaussian self) -> Gaussian
11216 __init__(Gaussian self, Model m, ParticleIndex id) -> Gaussian
11217 __init__(Gaussian self, _ParticleAdaptor d) -> Gaussian
11219 _IMP_core.Gaussian_swiginit(self, _IMP_core.new_Gaussian(*args))
11221 def show(self, *args):
11222 r"""show(Gaussian self, _ostream out=std::cout)"""
11223 return _IMP_core.Gaussian_show(self, *args)
11226 def setup_particle(*args):
11228 setup_particle(Model m, ParticleIndex pi) -> Gaussian
11229 setup_particle(_ParticleAdaptor pa) -> Gaussian
11230 setup_particle(Model m, ParticleIndex pi, Gaussian3D g) -> Gaussian
11231 setup_particle(_ParticleAdaptor pa, Gaussian3D g) -> Gaussian
11233 return _IMP_core.Gaussian_setup_particle(*args)
11236 def get_local_covariance_key():
11237 r"""get_local_covariance_key() -> ObjectKey"""
11238 return _IMP_core.Gaussian_get_local_covariance_key()
11241 def get_global_covariance_key():
11242 r"""get_global_covariance_key() -> ObjectKey"""
11243 return _IMP_core.Gaussian_get_global_covariance_key()
11246 def get_is_setup(*args):
11248 get_is_setup(_ParticleAdaptor p) -> bool
11249 get_is_setup(Model m, ParticleIndex pi) -> bool
11251 return _IMP_core.Gaussian_get_is_setup(*args)
11253 def get_local_covariance(self):
11254 r"""get_local_covariance(Gaussian self) -> Eigen::Matrix3d"""
11255 return _IMP_core.Gaussian_get_local_covariance(self)
11257 def get_variances(self):
11258 r"""get_variances(Gaussian self) -> Vector3D"""
11259 return _IMP_core.Gaussian_get_variances(self)
11261 def get_global_covariance(self):
11262 r"""get_global_covariance(Gaussian self) -> Eigen::Matrix3d"""
11263 return _IMP_core.Gaussian_get_global_covariance(self)
11265 def get_gaussian(self):
11266 r"""get_gaussian(Gaussian self) -> Gaussian3D"""
11267 return _IMP_core.Gaussian_get_gaussian(self)
11269 def set_gaussian(self, g):
11270 r"""set_gaussian(Gaussian self, Gaussian3D g)"""
11271 return _IMP_core.Gaussian_set_gaussian(self, g)
11273 def set_local_covariance(self, covar):
11274 r"""set_local_covariance(Gaussian self, Eigen::Vector3d const covar)"""
11275 return _IMP_core.Gaussian_set_local_covariance(self, covar)
11277 def set_variances(self, v):
11278 r"""set_variances(Gaussian self, Vector3D v)"""
11279 return _IMP_core.Gaussian_set_variances(self, v)
11281 def set_global_covariance(self, covar):
11282 r"""set_global_covariance(Gaussian self, Eigen::Matrix3d covar)"""
11283 return _IMP_core.Gaussian_set_global_covariance(self, covar)
11285 def update_global_covariance(self):
11286 r"""update_global_covariance(Gaussian self)"""
11287 return _IMP_core.Gaussian_update_global_covariance(self)
11289 def add_attribute(self, *args):
11291 add_attribute(Gaussian self, FloatKey k, IMP::Float v, bool opt)
11292 add_attribute(Gaussian self, FloatKey a0, IMP::Float a1)
11293 add_attribute(Gaussian self, IntKey a0, IMP::Int a1)
11294 add_attribute(Gaussian self, FloatsKey a0, IMP::Floats a1)
11295 add_attribute(Gaussian self, IntsKey a0, IMP::Ints a1)
11296 add_attribute(Gaussian self, StringKey a0, IMP::String a1)
11297 add_attribute(Gaussian self, ParticleIndexKey a0, Particle a1)
11298 add_attribute(Gaussian self, ObjectKey a0, Object a1)
11299 add_attribute(Gaussian self, SparseFloatKey a0, IMP::Float a1)
11300 add_attribute(Gaussian self, SparseIntKey a0, IMP::Int a1)
11301 add_attribute(Gaussian self, SparseStringKey a0, IMP::String a1)
11302 add_attribute(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
11304 return _IMP_core.Gaussian_add_attribute(self, *args)
11306 def get_value(self, *args):
11308 get_value(Gaussian self, FloatKey a0) -> IMP::Float
11309 get_value(Gaussian self, IntKey a0) -> IMP::Int
11310 get_value(Gaussian self, FloatsKey a0) -> IMP::Floats
11311 get_value(Gaussian self, IntsKey a0) -> IMP::Ints
11312 get_value(Gaussian self, StringKey a0) -> IMP::String
11313 get_value(Gaussian self, ParticleIndexKey a0) -> Particle
11314 get_value(Gaussian self, ObjectKey a0) -> Object
11315 get_value(Gaussian self, SparseFloatKey a0) -> IMP::Float
11316 get_value(Gaussian self, SparseIntKey a0) -> IMP::Int
11317 get_value(Gaussian self, SparseStringKey a0) -> IMP::String
11318 get_value(Gaussian self, SparseParticleIndexKey a0) -> ParticleIndex
11320 return _IMP_core.Gaussian_get_value(self, *args)
11322 def set_value(self, *args):
11324 set_value(Gaussian self, FloatKey a0, IMP::Float a1)
11325 set_value(Gaussian self, IntKey a0, IMP::Int a1)
11326 set_value(Gaussian self, FloatsKey a0, IMP::Floats a1)
11327 set_value(Gaussian self, IntsKey a0, IMP::Ints a1)
11328 set_value(Gaussian self, StringKey a0, IMP::String a1)
11329 set_value(Gaussian self, ParticleIndexKey a0, Particle a1)
11330 set_value(Gaussian self, ObjectKey a0, Object a1)
11331 set_value(Gaussian self, SparseFloatKey a0, IMP::Float a1)
11332 set_value(Gaussian self, SparseIntKey a0, IMP::Int a1)
11333 set_value(Gaussian self, SparseStringKey a0, IMP::String a1)
11334 set_value(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
11336 return _IMP_core.Gaussian_set_value(self, *args)
11338 def remove_attribute(self, *args):
11340 remove_attribute(Gaussian self, FloatKey a0)
11341 remove_attribute(Gaussian self, IntKey a0)
11342 remove_attribute(Gaussian self, FloatsKey a0)
11343 remove_attribute(Gaussian self, IntsKey a0)
11344 remove_attribute(Gaussian self, StringKey a0)
11345 remove_attribute(Gaussian self, ParticleIndexKey a0)
11346 remove_attribute(Gaussian self, ObjectKey a0)
11347 remove_attribute(Gaussian self, SparseFloatKey a0)
11348 remove_attribute(Gaussian self, SparseIntKey a0)
11349 remove_attribute(Gaussian self, SparseStringKey a0)
11350 remove_attribute(Gaussian self, SparseParticleIndexKey a0)
11352 return _IMP_core.Gaussian_remove_attribute(self, *args)
11354 def has_attribute(self, *args):
11356 has_attribute(Gaussian self, FloatKey a0) -> bool
11357 has_attribute(Gaussian self, IntKey a0) -> bool
11358 has_attribute(Gaussian self, FloatsKey a0) -> bool
11359 has_attribute(Gaussian self, IntsKey a0) -> bool
11360 has_attribute(Gaussian self, StringKey a0) -> bool
11361 has_attribute(Gaussian self, ParticleIndexKey a0) -> bool
11362 has_attribute(Gaussian self, ObjectKey a0) -> bool
11363 has_attribute(Gaussian self, SparseFloatKey a0) -> bool
11364 has_attribute(Gaussian self, SparseIntKey a0) -> bool
11365 has_attribute(Gaussian self, SparseStringKey a0) -> bool
11366 has_attribute(Gaussian self, SparseParticleIndexKey a0) -> bool
11368 return _IMP_core.Gaussian_has_attribute(self, *args)
11370 def get_derivative(self, a0):
11371 r"""get_derivative(Gaussian self, FloatKey a0) -> double"""
11372 return _IMP_core.Gaussian_get_derivative(self, a0)
11374 def get_name(self):
11375 r"""get_name(Gaussian self) -> std::string"""
11376 return _IMP_core.Gaussian_get_name(self)
11378 def clear_caches(self):
11379 r"""clear_caches(Gaussian self)"""
11380 return _IMP_core.Gaussian_clear_caches(self)
11382 def set_name(self, a0):
11383 r"""set_name(Gaussian self, std::string a0)"""
11384 return _IMP_core.Gaussian_set_name(self, a0)
11387 r"""set_check_level(Gaussian self, IMP::CheckLevel a0)"""
11388 return _IMP_core.Gaussian_set_check_level(self, a0)
11390 def add_to_derivative(self, a0, a1, a2):
11391 r"""add_to_derivative(Gaussian self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
11392 return _IMP_core.Gaussian_add_to_derivative(self, a0, a1, a2)
11394 def set_is_optimized(self, a0, a1):
11395 r"""set_is_optimized(Gaussian self, FloatKey a0, bool a1)"""
11396 return _IMP_core.Gaussian_set_is_optimized(self, a0, a1)
11398 def get_is_optimized(self, a0):
11399 r"""get_is_optimized(Gaussian self, FloatKey a0) -> bool"""
11400 return _IMP_core.Gaussian_get_is_optimized(self, a0)
11403 r"""get_check_level(Gaussian self) -> IMP::CheckLevel"""
11404 return _IMP_core.Gaussian_get_check_level(self)
11406 def __eq__(self, *args):
11408 __eq__(Gaussian self, Gaussian o) -> bool
11409 __eq__(Gaussian self, Particle d) -> bool
11411 return _IMP_core.Gaussian___eq__(self, *args)
11413 def __ne__(self, *args):
11415 __ne__(Gaussian self, Gaussian o) -> bool
11416 __ne__(Gaussian self, Particle d) -> bool
11418 return _IMP_core.Gaussian___ne__(self, *args)
11420 def __le__(self, *args):
11422 __le__(Gaussian self, Gaussian o) -> bool
11423 __le__(Gaussian self, Particle d) -> bool
11425 return _IMP_core.Gaussian___le__(self, *args)
11427 def __lt__(self, *args):
11429 __lt__(Gaussian self, Gaussian o) -> bool
11430 __lt__(Gaussian self, Particle d) -> bool
11432 return _IMP_core.Gaussian___lt__(self, *args)
11434 def __ge__(self, *args):
11436 __ge__(Gaussian self, Gaussian o) -> bool
11437 __ge__(Gaussian self, Particle d) -> bool
11439 return _IMP_core.Gaussian___ge__(self, *args)
11441 def __gt__(self, *args):
11443 __gt__(Gaussian self, Gaussian o) -> bool
11444 __gt__(Gaussian self, Particle d) -> bool
11446 return _IMP_core.Gaussian___gt__(self, *args)
11448 def __hash__(self):
11449 r"""__hash__(Gaussian self) -> std::size_t"""
11450 return _IMP_core.Gaussian___hash__(self)
11453 r"""__str__(Gaussian self) -> std::string"""
11454 return _IMP_core.Gaussian___str__(self)
11456 def __repr__(self):
11457 r"""__repr__(Gaussian self) -> std::string"""
11458 return _IMP_core.Gaussian___repr__(self)
11460 def _get_as_binary(self):
11461 r"""_get_as_binary(Gaussian self) -> PyObject *"""
11462 return _IMP_core.Gaussian__get_as_binary(self)
11464 def _set_from_binary(self, p):
11465 r"""_set_from_binary(Gaussian self, PyObject * p)"""
11466 return _IMP_core.Gaussian__set_from_binary(self, p)
11468 def __getstate__(self):
11469 p = self._get_as_binary()
11470 if len(self.__dict__) > 1:
11471 d = self.__dict__.copy()
11476 def __setstate__(self, p):
11477 if not hasattr(self,
'this'):
11479 if isinstance(p, tuple):
11481 self.__dict__.update(d)
11482 return self._set_from_binary(p)
11484 __swig_destroy__ = _IMP_core.delete_Gaussian
11487 _IMP_core.Gaussian_swigregister(Gaussian)
11489 r"""Proxy of C++ IMP::core::PairRestraint class."""
11491 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11493 def __init__(self, *args):
11495 __init__(PairRestraint self, Model m, PairScore ss, IMP::ParticleIndexPair const & vt, std::string name="PairRestraint %1%") -> PairRestraint
11496 __init__(PairRestraint self) -> PairRestraint
11498 _IMP_core.PairRestraint_swiginit(self, _IMP_core.new_PairRestraint(*args))
11500 def get_score_object(self):
11501 r"""get_score_object(PairRestraint self) -> PairScore"""
11502 return _IMP_core.PairRestraint_get_score_object(self)
11505 r"""get_index(PairRestraint self) -> IMP::PairScore::IndexArgument"""
11506 return _IMP_core.PairRestraint_get_index(self)
11508 def get_version_info(self):
11509 r"""get_version_info(PairRestraint self) -> VersionInfo"""
11510 return _IMP_core.PairRestraint_get_version_info(self)
11511 __swig_destroy__ = _IMP_core.delete_PairRestraint
11514 r"""__str__(PairRestraint self) -> std::string"""
11515 return _IMP_core.PairRestraint___str__(self)
11517 def __repr__(self):
11518 r"""__repr__(PairRestraint self) -> std::string"""
11519 return _IMP_core.PairRestraint___repr__(self)
11523 return _object_cast_to_PairRestraint(o)
11526 def _get_as_binary(self):
11527 r"""_get_as_binary(PairRestraint self) -> PyObject *"""
11528 return _IMP_core.PairRestraint__get_as_binary(self)
11530 def _set_from_binary(self, p):
11531 r"""_set_from_binary(PairRestraint self, PyObject * p)"""
11532 return _IMP_core.PairRestraint__set_from_binary(self, p)
11534 def __getstate__(self):
11535 p = self._get_as_binary()
11536 if len(self.__dict__) > 1:
11537 d = self.__dict__.copy()
11542 def __setstate__(self, p):
11543 if not hasattr(self,
'this'):
11545 if isinstance(p, tuple):
11547 self.__dict__.update(d)
11548 return self._set_from_binary(p)
11551 def _get_jax(self):
11552 from .
import _jax_util
11553 return _jax_util._get_jax_restraint(self)
11557 _IMP_core.PairRestraint_swigregister(PairRestraint)
11559 r"""Proxy of C++ IMP::core::SingletonRestraint class."""
11561 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11563 def __init__(self, *args):
11565 __init__(SingletonRestraint self, Model m, SingletonScore ss, ParticleIndex vt, std::string name="SingletonRestraint %1%") -> SingletonRestraint
11566 __init__(SingletonRestraint self) -> SingletonRestraint
11568 _IMP_core.SingletonRestraint_swiginit(self, _IMP_core.new_SingletonRestraint(*args))
11570 def get_score_object(self):
11571 r"""get_score_object(SingletonRestraint self) -> SingletonScore"""
11572 return _IMP_core.SingletonRestraint_get_score_object(self)
11575 r"""get_index(SingletonRestraint self) -> ParticleIndex"""
11576 return _IMP_core.SingletonRestraint_get_index(self)
11578 def get_version_info(self):
11579 r"""get_version_info(SingletonRestraint self) -> VersionInfo"""
11580 return _IMP_core.SingletonRestraint_get_version_info(self)
11581 __swig_destroy__ = _IMP_core.delete_SingletonRestraint
11584 r"""__str__(SingletonRestraint self) -> std::string"""
11585 return _IMP_core.SingletonRestraint___str__(self)
11587 def __repr__(self):
11588 r"""__repr__(SingletonRestraint self) -> std::string"""
11589 return _IMP_core.SingletonRestraint___repr__(self)
11593 return _object_cast_to_SingletonRestraint(o)
11596 def _get_as_binary(self):
11597 r"""_get_as_binary(SingletonRestraint self) -> PyObject *"""
11598 return _IMP_core.SingletonRestraint__get_as_binary(self)
11600 def _set_from_binary(self, p):
11601 r"""_set_from_binary(SingletonRestraint self, PyObject * p)"""
11602 return _IMP_core.SingletonRestraint__set_from_binary(self, p)
11604 def __getstate__(self):
11605 p = self._get_as_binary()
11606 if len(self.__dict__) > 1:
11607 d = self.__dict__.copy()
11612 def __setstate__(self, p):
11613 if not hasattr(self,
'this'):
11615 if isinstance(p, tuple):
11617 self.__dict__.update(d)
11618 return self._set_from_binary(p)
11621 def _get_jax(self):
11622 from .
import _jax_util
11623 return _jax_util._get_jax_restraint(self)
11627 _IMP_core.SingletonRestraint_swigregister(SingletonRestraint)
11629 r"""Proxy of C++ IMP::core::TripletRestraint class."""
11631 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11633 def __init__(self, *args):
11635 __init__(TripletRestraint self, Model m, TripletScore ss, IMP::ParticleIndexTriplet const & vt, std::string name="TripletRestraint %1%") -> TripletRestraint
11636 __init__(TripletRestraint self) -> TripletRestraint
11638 _IMP_core.TripletRestraint_swiginit(self, _IMP_core.new_TripletRestraint(*args))
11640 def get_score_object(self):
11641 r"""get_score_object(TripletRestraint self) -> TripletScore"""
11642 return _IMP_core.TripletRestraint_get_score_object(self)
11645 r"""get_index(TripletRestraint self) -> IMP::TripletScore::IndexArgument"""
11646 return _IMP_core.TripletRestraint_get_index(self)
11648 def get_version_info(self):
11649 r"""get_version_info(TripletRestraint self) -> VersionInfo"""
11650 return _IMP_core.TripletRestraint_get_version_info(self)
11651 __swig_destroy__ = _IMP_core.delete_TripletRestraint
11654 r"""__str__(TripletRestraint self) -> std::string"""
11655 return _IMP_core.TripletRestraint___str__(self)
11657 def __repr__(self):
11658 r"""__repr__(TripletRestraint self) -> std::string"""
11659 return _IMP_core.TripletRestraint___repr__(self)
11663 return _object_cast_to_TripletRestraint(o)
11666 def _get_as_binary(self):
11667 r"""_get_as_binary(TripletRestraint self) -> PyObject *"""
11668 return _IMP_core.TripletRestraint__get_as_binary(self)
11670 def _set_from_binary(self, p):
11671 r"""_set_from_binary(TripletRestraint self, PyObject * p)"""
11672 return _IMP_core.TripletRestraint__set_from_binary(self, p)
11674 def __getstate__(self):
11675 p = self._get_as_binary()
11676 if len(self.__dict__) > 1:
11677 d = self.__dict__.copy()
11682 def __setstate__(self, p):
11683 if not hasattr(self,
'this'):
11685 if isinstance(p, tuple):
11687 self.__dict__.update(d)
11688 return self._set_from_binary(p)
11692 _IMP_core.TripletRestraint_swigregister(TripletRestraint)
11694 r"""Proxy of C++ IMP::core::QuadRestraint class."""
11696 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11698 def __init__(self, *args):
11700 __init__(QuadRestraint self, Model m, QuadScore ss, IMP::ParticleIndexQuad const & vt, std::string name="QuadRestraint %1%") -> QuadRestraint
11701 __init__(QuadRestraint self) -> QuadRestraint
11703 _IMP_core.QuadRestraint_swiginit(self, _IMP_core.new_QuadRestraint(*args))
11705 def get_score_object(self):
11706 r"""get_score_object(QuadRestraint self) -> QuadScore"""
11707 return _IMP_core.QuadRestraint_get_score_object(self)
11710 r"""get_index(QuadRestraint self) -> IMP::QuadScore::IndexArgument"""
11711 return _IMP_core.QuadRestraint_get_index(self)
11713 def get_version_info(self):
11714 r"""get_version_info(QuadRestraint self) -> VersionInfo"""
11715 return _IMP_core.QuadRestraint_get_version_info(self)
11716 __swig_destroy__ = _IMP_core.delete_QuadRestraint
11719 r"""__str__(QuadRestraint self) -> std::string"""
11720 return _IMP_core.QuadRestraint___str__(self)
11722 def __repr__(self):
11723 r"""__repr__(QuadRestraint self) -> std::string"""
11724 return _IMP_core.QuadRestraint___repr__(self)
11728 return _object_cast_to_QuadRestraint(o)
11731 def _get_as_binary(self):
11732 r"""_get_as_binary(QuadRestraint self) -> PyObject *"""
11733 return _IMP_core.QuadRestraint__get_as_binary(self)
11735 def _set_from_binary(self, p):
11736 r"""_set_from_binary(QuadRestraint self, PyObject * p)"""
11737 return _IMP_core.QuadRestraint__set_from_binary(self, p)
11739 def __getstate__(self):
11740 p = self._get_as_binary()
11741 if len(self.__dict__) > 1:
11742 d = self.__dict__.copy()
11747 def __setstate__(self, p):
11748 if not hasattr(self,
'this'):
11750 if isinstance(p, tuple):
11752 self.__dict__.update(d)
11753 return self._set_from_binary(p)
11757 _IMP_core.QuadRestraint_swigregister(QuadRestraint)
11759 r"""Proxy of C++ IMP::core::SingletonConstraint class."""
11761 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11763 def __init__(self, *args):
11765 __init__(SingletonConstraint self, SingletonModifier before, SingletonModifier after, Model m, ParticleIndex vt, std::string name="SingletonConstraint %1%", bool can_skip=False) -> SingletonConstraint
11766 __init__(SingletonConstraint self) -> SingletonConstraint
11768 _IMP_core.SingletonConstraint_swiginit(self, _IMP_core.new_SingletonConstraint(*args))
11770 def get_before_modifier(self):
11771 r"""get_before_modifier(SingletonConstraint self) -> SingletonModifier"""
11772 return _IMP_core.SingletonConstraint_get_before_modifier(self)
11775 r"""get_index(SingletonConstraint self) -> ParticleIndex"""
11776 return _IMP_core.SingletonConstraint_get_index(self)
11778 def get_version_info(self):
11779 r"""get_version_info(SingletonConstraint self) -> VersionInfo"""
11780 return _IMP_core.SingletonConstraint_get_version_info(self)
11781 __swig_destroy__ = _IMP_core.delete_SingletonConstraint
11784 r"""__str__(SingletonConstraint self) -> std::string"""
11785 return _IMP_core.SingletonConstraint___str__(self)
11787 def __repr__(self):
11788 r"""__repr__(SingletonConstraint self) -> std::string"""
11789 return _IMP_core.SingletonConstraint___repr__(self)
11793 return _object_cast_to_SingletonConstraint(o)
11796 def _get_as_binary(self):
11797 r"""_get_as_binary(SingletonConstraint self) -> PyObject *"""
11798 return _IMP_core.SingletonConstraint__get_as_binary(self)
11800 def _set_from_binary(self, p):
11801 r"""_set_from_binary(SingletonConstraint self, PyObject * p)"""
11802 return _IMP_core.SingletonConstraint__set_from_binary(self, p)
11804 def __getstate__(self):
11805 p = self._get_as_binary()
11806 if len(self.__dict__) > 1:
11807 d = self.__dict__.copy()
11812 def __setstate__(self, p):
11813 if not hasattr(self,
'this'):
11815 if isinstance(p, tuple):
11817 self.__dict__.update(d)
11818 return self._set_from_binary(p)
11821 def _get_jax(self):
11822 import jax.numpy
as jnp
11823 indexes = jnp.array([self.get_index()])
11824 mod = self.get_before_modifier().get_derived_object()
11825 ji = mod._get_jax(self.get_model(), indexes)
11826 return self._wrap_jax(ji.apply_func, keys=ji._keys)
11830 _IMP_core.SingletonConstraint_swigregister(SingletonConstraint)
11832 r"""Proxy of C++ IMP::core::PairConstraint class."""
11834 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11836 def __init__(self, *args):
11838 __init__(PairConstraint self, PairModifier before, PairModifier after, Model m, IMP::ParticleIndexPair const & vt, std::string name="PairConstraint %1%", bool can_skip=False) -> PairConstraint
11839 __init__(PairConstraint self) -> PairConstraint
11841 _IMP_core.PairConstraint_swiginit(self, _IMP_core.new_PairConstraint(*args))
11843 def get_before_modifier(self):
11844 r"""get_before_modifier(PairConstraint self) -> PairModifier"""
11845 return _IMP_core.PairConstraint_get_before_modifier(self)
11848 r"""get_index(PairConstraint self) -> IMP::PairModifier::IndexArgument"""
11849 return _IMP_core.PairConstraint_get_index(self)
11851 def get_version_info(self):
11852 r"""get_version_info(PairConstraint self) -> VersionInfo"""
11853 return _IMP_core.PairConstraint_get_version_info(self)
11854 __swig_destroy__ = _IMP_core.delete_PairConstraint
11857 r"""__str__(PairConstraint self) -> std::string"""
11858 return _IMP_core.PairConstraint___str__(self)
11860 def __repr__(self):
11861 r"""__repr__(PairConstraint self) -> std::string"""
11862 return _IMP_core.PairConstraint___repr__(self)
11866 return _object_cast_to_PairConstraint(o)
11869 def _get_as_binary(self):
11870 r"""_get_as_binary(PairConstraint self) -> PyObject *"""
11871 return _IMP_core.PairConstraint__get_as_binary(self)
11873 def _set_from_binary(self, p):
11874 r"""_set_from_binary(PairConstraint self, PyObject * p)"""
11875 return _IMP_core.PairConstraint__set_from_binary(self, p)
11877 def __getstate__(self):
11878 p = self._get_as_binary()
11879 if len(self.__dict__) > 1:
11880 d = self.__dict__.copy()
11885 def __setstate__(self, p):
11886 if not hasattr(self,
'this'):
11888 if isinstance(p, tuple):
11890 self.__dict__.update(d)
11891 return self._set_from_binary(p)
11895 _IMP_core.PairConstraint_swigregister(PairConstraint)
11897 r"""Proxy of C++ IMP::core::TripletConstraint class."""
11899 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11901 def __init__(self, *args):
11903 __init__(TripletConstraint self, TripletModifier before, TripletModifier after, Model m, IMP::ParticleIndexTriplet const & vt, std::string name="TripletConstraint %1%", bool can_skip=False) -> TripletConstraint
11904 __init__(TripletConstraint self) -> TripletConstraint
11906 _IMP_core.TripletConstraint_swiginit(self, _IMP_core.new_TripletConstraint(*args))
11908 def get_before_modifier(self):
11909 r"""get_before_modifier(TripletConstraint self) -> TripletModifier"""
11910 return _IMP_core.TripletConstraint_get_before_modifier(self)
11913 r"""get_index(TripletConstraint self) -> IMP::TripletModifier::IndexArgument"""
11914 return _IMP_core.TripletConstraint_get_index(self)
11916 def get_version_info(self):
11917 r"""get_version_info(TripletConstraint self) -> VersionInfo"""
11918 return _IMP_core.TripletConstraint_get_version_info(self)
11919 __swig_destroy__ = _IMP_core.delete_TripletConstraint
11922 r"""__str__(TripletConstraint self) -> std::string"""
11923 return _IMP_core.TripletConstraint___str__(self)
11925 def __repr__(self):
11926 r"""__repr__(TripletConstraint self) -> std::string"""
11927 return _IMP_core.TripletConstraint___repr__(self)
11931 return _object_cast_to_TripletConstraint(o)
11934 def _get_as_binary(self):
11935 r"""_get_as_binary(TripletConstraint self) -> PyObject *"""
11936 return _IMP_core.TripletConstraint__get_as_binary(self)
11938 def _set_from_binary(self, p):
11939 r"""_set_from_binary(TripletConstraint self, PyObject * p)"""
11940 return _IMP_core.TripletConstraint__set_from_binary(self, p)
11942 def __getstate__(self):
11943 p = self._get_as_binary()
11944 if len(self.__dict__) > 1:
11945 d = self.__dict__.copy()
11950 def __setstate__(self, p):
11951 if not hasattr(self,
'this'):
11953 if isinstance(p, tuple):
11955 self.__dict__.update(d)
11956 return self._set_from_binary(p)
11960 _IMP_core.TripletConstraint_swigregister(TripletConstraint)
11962 r"""Proxy of C++ IMP::core::QuadConstraint class."""
11964 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11966 def __init__(self, *args):
11968 __init__(QuadConstraint self, QuadModifier before, QuadModifier after, Model m, IMP::ParticleIndexQuad const & vt, std::string name="QuadConstraint %1%", bool can_skip=False) -> QuadConstraint
11969 __init__(QuadConstraint self) -> QuadConstraint
11971 _IMP_core.QuadConstraint_swiginit(self, _IMP_core.new_QuadConstraint(*args))
11973 def get_before_modifier(self):
11974 r"""get_before_modifier(QuadConstraint self) -> QuadModifier"""
11975 return _IMP_core.QuadConstraint_get_before_modifier(self)
11978 r"""get_index(QuadConstraint self) -> IMP::QuadModifier::IndexArgument"""
11979 return _IMP_core.QuadConstraint_get_index(self)
11981 def get_version_info(self):
11982 r"""get_version_info(QuadConstraint self) -> VersionInfo"""
11983 return _IMP_core.QuadConstraint_get_version_info(self)
11984 __swig_destroy__ = _IMP_core.delete_QuadConstraint
11987 r"""__str__(QuadConstraint self) -> std::string"""
11988 return _IMP_core.QuadConstraint___str__(self)
11990 def __repr__(self):
11991 r"""__repr__(QuadConstraint self) -> std::string"""
11992 return _IMP_core.QuadConstraint___repr__(self)
11996 return _object_cast_to_QuadConstraint(o)
11999 def _get_as_binary(self):
12000 r"""_get_as_binary(QuadConstraint self) -> PyObject *"""
12001 return _IMP_core.QuadConstraint__get_as_binary(self)
12003 def _set_from_binary(self, p):
12004 r"""_set_from_binary(QuadConstraint self, PyObject * p)"""
12005 return _IMP_core.QuadConstraint__set_from_binary(self, p)
12007 def __getstate__(self):
12008 p = self._get_as_binary()
12009 if len(self.__dict__) > 1:
12010 d = self.__dict__.copy()
12015 def __setstate__(self, p):
12016 if not hasattr(self,
'this'):
12018 if isinstance(p, tuple):
12020 self.__dict__.update(d)
12021 return self._set_from_binary(p)
12025 _IMP_core.QuadConstraint_swigregister(QuadConstraint)
12027 r"""Proxy of C++ IMP::core::ConstantSingletonPredicate class."""
12029 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12031 def __init__(self, *args):
12033 __init__(ConstantSingletonPredicate self, int v, std::string name="ConstSingletonPredicate%1%") -> ConstantSingletonPredicate
12034 __init__(ConstantSingletonPredicate self) -> ConstantSingletonPredicate
12036 _IMP_core.ConstantSingletonPredicate_swiginit(self, _IMP_core.new_ConstantSingletonPredicate(*args))
12038 def do_get_inputs(self, arg2, arg3):
12039 r"""do_get_inputs(ConstantSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12040 return _IMP_core.ConstantSingletonPredicate_do_get_inputs(self, arg2, arg3)
12042 def get_value(self, *args):
12044 get_value(ConstantSingletonPredicate self, Particle a) -> int
12045 get_value(ConstantSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12047 return _IMP_core.ConstantSingletonPredicate_get_value(self, *args)
12049 def get_value_index(self, *args):
12051 get_value_index(ConstantSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
12052 get_value_index(ConstantSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12054 return _IMP_core.ConstantSingletonPredicate_get_value_index(self, *args)
12056 def get_version_info(self):
12057 r"""get_version_info(ConstantSingletonPredicate self) -> VersionInfo"""
12058 return _IMP_core.ConstantSingletonPredicate_get_version_info(self)
12059 __swig_destroy__ = _IMP_core.delete_ConstantSingletonPredicate
12062 r"""__str__(ConstantSingletonPredicate self) -> std::string"""
12063 return _IMP_core.ConstantSingletonPredicate___str__(self)
12065 def __repr__(self):
12066 r"""__repr__(ConstantSingletonPredicate self) -> std::string"""
12067 return _IMP_core.ConstantSingletonPredicate___repr__(self)
12071 return _object_cast_to_ConstantSingletonPredicate(o)
12074 def _get_as_binary(self):
12075 r"""_get_as_binary(ConstantSingletonPredicate self) -> PyObject *"""
12076 return _IMP_core.ConstantSingletonPredicate__get_as_binary(self)
12078 def _set_from_binary(self, p):
12079 r"""_set_from_binary(ConstantSingletonPredicate self, PyObject * p)"""
12080 return _IMP_core.ConstantSingletonPredicate__set_from_binary(self, p)
12082 def __getstate__(self):
12083 p = self._get_as_binary()
12084 if len(self.__dict__) > 1:
12085 d = self.__dict__.copy()
12090 def __setstate__(self, p):
12091 if not hasattr(self,
'this'):
12093 if isinstance(p, tuple):
12095 self.__dict__.update(d)
12096 return self._set_from_binary(p)
12100 _IMP_core.ConstantSingletonPredicate_swigregister(ConstantSingletonPredicate)
12102 r"""Proxy of C++ IMP::core::UnorderedTypeSingletonPredicate class."""
12104 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12106 def __init__(self, *args):
12107 r"""__init__(UnorderedTypeSingletonPredicate self, std::string name="UnorderedTypeSingletonPredicate%1%") -> UnorderedTypeSingletonPredicate"""
12108 _IMP_core.UnorderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_UnorderedTypeSingletonPredicate(*args))
12110 def do_get_inputs(self, m, pis):
12111 r"""do_get_inputs(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12112 return _IMP_core.UnorderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
12114 def get_value(self, *args):
12116 get_value(UnorderedTypeSingletonPredicate self, Particle a) -> int
12117 get_value(UnorderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12119 return _IMP_core.UnorderedTypeSingletonPredicate_get_value(self, *args)
12121 def get_value_index(self, *args):
12123 get_value_index(UnorderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
12124 get_value_index(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12126 return _IMP_core.UnorderedTypeSingletonPredicate_get_value_index(self, *args)
12128 def get_version_info(self):
12129 r"""get_version_info(UnorderedTypeSingletonPredicate self) -> VersionInfo"""
12130 return _IMP_core.UnorderedTypeSingletonPredicate_get_version_info(self)
12131 __swig_destroy__ = _IMP_core.delete_UnorderedTypeSingletonPredicate
12134 r"""__str__(UnorderedTypeSingletonPredicate self) -> std::string"""
12135 return _IMP_core.UnorderedTypeSingletonPredicate___str__(self)
12137 def __repr__(self):
12138 r"""__repr__(UnorderedTypeSingletonPredicate self) -> std::string"""
12139 return _IMP_core.UnorderedTypeSingletonPredicate___repr__(self)
12143 return _object_cast_to_UnorderedTypeSingletonPredicate(o)
12146 def _get_as_binary(self):
12147 r"""_get_as_binary(UnorderedTypeSingletonPredicate self) -> PyObject *"""
12148 return _IMP_core.UnorderedTypeSingletonPredicate__get_as_binary(self)
12150 def _set_from_binary(self, p):
12151 r"""_set_from_binary(UnorderedTypeSingletonPredicate self, PyObject * p)"""
12152 return _IMP_core.UnorderedTypeSingletonPredicate__set_from_binary(self, p)
12154 def __getstate__(self):
12155 p = self._get_as_binary()
12156 if len(self.__dict__) > 1:
12157 d = self.__dict__.copy()
12162 def __setstate__(self, p):
12163 if not hasattr(self,
'this'):
12165 if isinstance(p, tuple):
12167 self.__dict__.update(d)
12168 return self._set_from_binary(p)
12172 _IMP_core.UnorderedTypeSingletonPredicate_swigregister(UnorderedTypeSingletonPredicate)
12174 r"""Proxy of C++ IMP::core::OrderedTypeSingletonPredicate class."""
12176 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12178 def __init__(self, *args):
12179 r"""__init__(OrderedTypeSingletonPredicate self, std::string name="OrderedTypeSingletonPredicate%1%") -> OrderedTypeSingletonPredicate"""
12180 _IMP_core.OrderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_OrderedTypeSingletonPredicate(*args))
12182 def do_get_inputs(self, m, pis):
12183 r"""do_get_inputs(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12184 return _IMP_core.OrderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
12186 def get_value(self, *args):
12188 get_value(OrderedTypeSingletonPredicate self, IMP::core::ParticleTypes const & types) -> int
12189 get_value(OrderedTypeSingletonPredicate self, Particle a) -> int
12190 get_value(OrderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12192 return _IMP_core.OrderedTypeSingletonPredicate_get_value(self, *args)
12194 def get_value_index(self, *args):
12196 get_value_index(OrderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
12197 get_value_index(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12199 return _IMP_core.OrderedTypeSingletonPredicate_get_value_index(self, *args)
12201 def get_version_info(self):
12202 r"""get_version_info(OrderedTypeSingletonPredicate self) -> VersionInfo"""
12203 return _IMP_core.OrderedTypeSingletonPredicate_get_version_info(self)
12204 __swig_destroy__ = _IMP_core.delete_OrderedTypeSingletonPredicate
12207 r"""__str__(OrderedTypeSingletonPredicate self) -> std::string"""
12208 return _IMP_core.OrderedTypeSingletonPredicate___str__(self)
12210 def __repr__(self):
12211 r"""__repr__(OrderedTypeSingletonPredicate self) -> std::string"""
12212 return _IMP_core.OrderedTypeSingletonPredicate___repr__(self)
12216 return _object_cast_to_OrderedTypeSingletonPredicate(o)
12220 _IMP_core.OrderedTypeSingletonPredicate_swigregister(OrderedTypeSingletonPredicate)
12222 r"""Proxy of C++ IMP::core::AllSameSingletonPredicate class."""
12224 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12226 def __init__(self, *args):
12227 r"""__init__(AllSameSingletonPredicate self, std::string name="AllSameSingletonPredicate%1%") -> AllSameSingletonPredicate"""
12228 _IMP_core.AllSameSingletonPredicate_swiginit(self, _IMP_core.new_AllSameSingletonPredicate(*args))
12230 def do_get_inputs(self, arg2, arg3):
12231 r"""do_get_inputs(AllSameSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12232 return _IMP_core.AllSameSingletonPredicate_do_get_inputs(self, arg2, arg3)
12234 def get_value(self, *args):
12236 get_value(AllSameSingletonPredicate self, Particle a) -> int
12237 get_value(AllSameSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12239 return _IMP_core.AllSameSingletonPredicate_get_value(self, *args)
12241 def get_value_index(self, *args):
12243 get_value_index(AllSameSingletonPredicate self, Model m, ParticleIndex pi) -> int
12244 get_value_index(AllSameSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12246 return _IMP_core.AllSameSingletonPredicate_get_value_index(self, *args)
12248 def get_version_info(self):
12249 r"""get_version_info(AllSameSingletonPredicate self) -> VersionInfo"""
12250 return _IMP_core.AllSameSingletonPredicate_get_version_info(self)
12251 __swig_destroy__ = _IMP_core.delete_AllSameSingletonPredicate
12254 r"""__str__(AllSameSingletonPredicate self) -> std::string"""
12255 return _IMP_core.AllSameSingletonPredicate___str__(self)
12257 def __repr__(self):
12258 r"""__repr__(AllSameSingletonPredicate self) -> std::string"""
12259 return _IMP_core.AllSameSingletonPredicate___repr__(self)
12263 return _object_cast_to_AllSameSingletonPredicate(o)
12266 def _get_as_binary(self):
12267 r"""_get_as_binary(AllSameSingletonPredicate self) -> PyObject *"""
12268 return _IMP_core.AllSameSingletonPredicate__get_as_binary(self)
12270 def _set_from_binary(self, p):
12271 r"""_set_from_binary(AllSameSingletonPredicate self, PyObject * p)"""
12272 return _IMP_core.AllSameSingletonPredicate__set_from_binary(self, p)
12274 def __getstate__(self):
12275 p = self._get_as_binary()
12276 if len(self.__dict__) > 1:
12277 d = self.__dict__.copy()
12282 def __setstate__(self, p):
12283 if not hasattr(self,
'this'):
12285 if isinstance(p, tuple):
12287 self.__dict__.update(d)
12288 return self._set_from_binary(p)
12292 _IMP_core.AllSameSingletonPredicate_swigregister(AllSameSingletonPredicate)
12294 r"""Proxy of C++ IMP::core::CoinFlipSingletonPredicate class."""
12296 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12298 def __init__(self, *args):
12299 r"""__init__(CoinFlipSingletonPredicate self, double p, std::string name="CoinFlipSingletonPredicate%1%") -> CoinFlipSingletonPredicate"""
12300 _IMP_core.CoinFlipSingletonPredicate_swiginit(self, _IMP_core.new_CoinFlipSingletonPredicate(*args))
12302 def do_get_inputs(self, arg2, arg3):
12303 r"""do_get_inputs(CoinFlipSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12304 return _IMP_core.CoinFlipSingletonPredicate_do_get_inputs(self, arg2, arg3)
12306 def get_value(self, *args):
12308 get_value(CoinFlipSingletonPredicate self, Particle a) -> int
12309 get_value(CoinFlipSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12311 return _IMP_core.CoinFlipSingletonPredicate_get_value(self, *args)
12313 def get_value_index(self, *args):
12315 get_value_index(CoinFlipSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
12316 get_value_index(CoinFlipSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12318 return _IMP_core.CoinFlipSingletonPredicate_get_value_index(self, *args)
12320 def get_version_info(self):
12321 r"""get_version_info(CoinFlipSingletonPredicate self) -> VersionInfo"""
12322 return _IMP_core.CoinFlipSingletonPredicate_get_version_info(self)
12323 __swig_destroy__ = _IMP_core.delete_CoinFlipSingletonPredicate
12326 r"""__str__(CoinFlipSingletonPredicate self) -> std::string"""
12327 return _IMP_core.CoinFlipSingletonPredicate___str__(self)
12329 def __repr__(self):
12330 r"""__repr__(CoinFlipSingletonPredicate self) -> std::string"""
12331 return _IMP_core.CoinFlipSingletonPredicate___repr__(self)
12335 return _object_cast_to_CoinFlipSingletonPredicate(o)
12339 _IMP_core.CoinFlipSingletonPredicate_swigregister(CoinFlipSingletonPredicate)
12341 r"""Proxy of C++ IMP::core::ConstantPairPredicate class."""
12343 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12345 def __init__(self, *args):
12347 __init__(ConstantPairPredicate self, int v, std::string name="ConstPairPredicate%1%") -> ConstantPairPredicate
12348 __init__(ConstantPairPredicate self) -> ConstantPairPredicate
12350 _IMP_core.ConstantPairPredicate_swiginit(self, _IMP_core.new_ConstantPairPredicate(*args))
12352 def do_get_inputs(self, arg2, arg3):
12353 r"""do_get_inputs(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12354 return _IMP_core.ConstantPairPredicate_do_get_inputs(self, arg2, arg3)
12356 def get_value(self, *args):
12358 get_value(ConstantPairPredicate self, IMP::ParticlePair const & a) -> int
12359 get_value(ConstantPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12361 return _IMP_core.ConstantPairPredicate_get_value(self, *args)
12363 def get_value_index(self, *args):
12365 get_value_index(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
12366 get_value_index(ConstantPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12368 return _IMP_core.ConstantPairPredicate_get_value_index(self, *args)
12370 def get_version_info(self):
12371 r"""get_version_info(ConstantPairPredicate self) -> VersionInfo"""
12372 return _IMP_core.ConstantPairPredicate_get_version_info(self)
12373 __swig_destroy__ = _IMP_core.delete_ConstantPairPredicate
12376 r"""__str__(ConstantPairPredicate self) -> std::string"""
12377 return _IMP_core.ConstantPairPredicate___str__(self)
12379 def __repr__(self):
12380 r"""__repr__(ConstantPairPredicate self) -> std::string"""
12381 return _IMP_core.ConstantPairPredicate___repr__(self)
12385 return _object_cast_to_ConstantPairPredicate(o)
12388 def _get_as_binary(self):
12389 r"""_get_as_binary(ConstantPairPredicate self) -> PyObject *"""
12390 return _IMP_core.ConstantPairPredicate__get_as_binary(self)
12392 def _set_from_binary(self, p):
12393 r"""_set_from_binary(ConstantPairPredicate self, PyObject * p)"""
12394 return _IMP_core.ConstantPairPredicate__set_from_binary(self, p)
12396 def __getstate__(self):
12397 p = self._get_as_binary()
12398 if len(self.__dict__) > 1:
12399 d = self.__dict__.copy()
12404 def __setstate__(self, p):
12405 if not hasattr(self,
'this'):
12407 if isinstance(p, tuple):
12409 self.__dict__.update(d)
12410 return self._set_from_binary(p)
12414 _IMP_core.ConstantPairPredicate_swigregister(ConstantPairPredicate)
12416 r"""Proxy of C++ IMP::core::UnorderedTypePairPredicate class."""
12418 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12420 def __init__(self, *args):
12421 r"""__init__(UnorderedTypePairPredicate self, std::string name="UnorderedTypePairPredicate%1%") -> UnorderedTypePairPredicate"""
12422 _IMP_core.UnorderedTypePairPredicate_swiginit(self, _IMP_core.new_UnorderedTypePairPredicate(*args))
12424 def do_get_inputs(self, m, pis):
12425 r"""do_get_inputs(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12426 return _IMP_core.UnorderedTypePairPredicate_do_get_inputs(self, m, pis)
12428 def get_value(self, *args):
12430 get_value(UnorderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12431 get_value(UnorderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12433 return _IMP_core.UnorderedTypePairPredicate_get_value(self, *args)
12435 def get_value_index(self, *args):
12437 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12438 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12440 return _IMP_core.UnorderedTypePairPredicate_get_value_index(self, *args)
12442 def get_version_info(self):
12443 r"""get_version_info(UnorderedTypePairPredicate self) -> VersionInfo"""
12444 return _IMP_core.UnorderedTypePairPredicate_get_version_info(self)
12445 __swig_destroy__ = _IMP_core.delete_UnorderedTypePairPredicate
12448 r"""__str__(UnorderedTypePairPredicate self) -> std::string"""
12449 return _IMP_core.UnorderedTypePairPredicate___str__(self)
12451 def __repr__(self):
12452 r"""__repr__(UnorderedTypePairPredicate self) -> std::string"""
12453 return _IMP_core.UnorderedTypePairPredicate___repr__(self)
12457 return _object_cast_to_UnorderedTypePairPredicate(o)
12460 def _get_as_binary(self):
12461 r"""_get_as_binary(UnorderedTypePairPredicate self) -> PyObject *"""
12462 return _IMP_core.UnorderedTypePairPredicate__get_as_binary(self)
12464 def _set_from_binary(self, p):
12465 r"""_set_from_binary(UnorderedTypePairPredicate self, PyObject * p)"""
12466 return _IMP_core.UnorderedTypePairPredicate__set_from_binary(self, p)
12468 def __getstate__(self):
12469 p = self._get_as_binary()
12470 if len(self.__dict__) > 1:
12471 d = self.__dict__.copy()
12476 def __setstate__(self, p):
12477 if not hasattr(self,
'this'):
12479 if isinstance(p, tuple):
12481 self.__dict__.update(d)
12482 return self._set_from_binary(p)
12486 _IMP_core.UnorderedTypePairPredicate_swigregister(UnorderedTypePairPredicate)
12488 r"""Proxy of C++ IMP::core::OrderedTypePairPredicate class."""
12490 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12492 def __init__(self, *args):
12493 r"""__init__(OrderedTypePairPredicate self, std::string name="OrderedTypePairPredicate%1%") -> OrderedTypePairPredicate"""
12494 _IMP_core.OrderedTypePairPredicate_swiginit(self, _IMP_core.new_OrderedTypePairPredicate(*args))
12496 def do_get_inputs(self, m, pis):
12497 r"""do_get_inputs(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12498 return _IMP_core.OrderedTypePairPredicate_do_get_inputs(self, m, pis)
12500 def get_value(self, *args):
12502 get_value(OrderedTypePairPredicate self, IMP::core::ParticleTypes const & types) -> int
12503 get_value(OrderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12504 get_value(OrderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12506 return _IMP_core.OrderedTypePairPredicate_get_value(self, *args)
12508 def get_value_index(self, *args):
12510 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12511 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12513 return _IMP_core.OrderedTypePairPredicate_get_value_index(self, *args)
12515 def get_version_info(self):
12516 r"""get_version_info(OrderedTypePairPredicate self) -> VersionInfo"""
12517 return _IMP_core.OrderedTypePairPredicate_get_version_info(self)
12518 __swig_destroy__ = _IMP_core.delete_OrderedTypePairPredicate
12521 r"""__str__(OrderedTypePairPredicate self) -> std::string"""
12522 return _IMP_core.OrderedTypePairPredicate___str__(self)
12524 def __repr__(self):
12525 r"""__repr__(OrderedTypePairPredicate self) -> std::string"""
12526 return _IMP_core.OrderedTypePairPredicate___repr__(self)
12530 return _object_cast_to_OrderedTypePairPredicate(o)
12534 _IMP_core.OrderedTypePairPredicate_swigregister(OrderedTypePairPredicate)
12536 r"""Proxy of C++ IMP::core::AllSamePairPredicate class."""
12538 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12540 def __init__(self, *args):
12541 r"""__init__(AllSamePairPredicate self, std::string name="AllSamePairPredicate%1%") -> AllSamePairPredicate"""
12542 _IMP_core.AllSamePairPredicate_swiginit(self, _IMP_core.new_AllSamePairPredicate(*args))
12544 def do_get_inputs(self, arg2, arg3):
12545 r"""do_get_inputs(AllSamePairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12546 return _IMP_core.AllSamePairPredicate_do_get_inputs(self, arg2, arg3)
12548 def get_value(self, *args):
12550 get_value(AllSamePairPredicate self, IMP::ParticlePair const & a) -> int
12551 get_value(AllSamePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12553 return _IMP_core.AllSamePairPredicate_get_value(self, *args)
12555 def get_value_index(self, *args):
12557 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12558 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12560 return _IMP_core.AllSamePairPredicate_get_value_index(self, *args)
12562 def get_version_info(self):
12563 r"""get_version_info(AllSamePairPredicate self) -> VersionInfo"""
12564 return _IMP_core.AllSamePairPredicate_get_version_info(self)
12565 __swig_destroy__ = _IMP_core.delete_AllSamePairPredicate
12568 r"""__str__(AllSamePairPredicate self) -> std::string"""
12569 return _IMP_core.AllSamePairPredicate___str__(self)
12571 def __repr__(self):
12572 r"""__repr__(AllSamePairPredicate self) -> std::string"""
12573 return _IMP_core.AllSamePairPredicate___repr__(self)
12577 return _object_cast_to_AllSamePairPredicate(o)
12580 def _get_as_binary(self):
12581 r"""_get_as_binary(AllSamePairPredicate self) -> PyObject *"""
12582 return _IMP_core.AllSamePairPredicate__get_as_binary(self)
12584 def _set_from_binary(self, p):
12585 r"""_set_from_binary(AllSamePairPredicate self, PyObject * p)"""
12586 return _IMP_core.AllSamePairPredicate__set_from_binary(self, p)
12588 def __getstate__(self):
12589 p = self._get_as_binary()
12590 if len(self.__dict__) > 1:
12591 d = self.__dict__.copy()
12596 def __setstate__(self, p):
12597 if not hasattr(self,
'this'):
12599 if isinstance(p, tuple):
12601 self.__dict__.update(d)
12602 return self._set_from_binary(p)
12606 _IMP_core.AllSamePairPredicate_swigregister(AllSamePairPredicate)
12608 r"""Proxy of C++ IMP::core::CoinFlipPairPredicate class."""
12610 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12612 def __init__(self, *args):
12613 r"""__init__(CoinFlipPairPredicate self, double p, std::string name="CoinFlipPairPredicate%1%") -> CoinFlipPairPredicate"""
12614 _IMP_core.CoinFlipPairPredicate_swiginit(self, _IMP_core.new_CoinFlipPairPredicate(*args))
12616 def do_get_inputs(self, arg2, arg3):
12617 r"""do_get_inputs(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12618 return _IMP_core.CoinFlipPairPredicate_do_get_inputs(self, arg2, arg3)
12620 def get_value(self, *args):
12622 get_value(CoinFlipPairPredicate self, IMP::ParticlePair const & a) -> int
12623 get_value(CoinFlipPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12625 return _IMP_core.CoinFlipPairPredicate_get_value(self, *args)
12627 def get_value_index(self, *args):
12629 get_value_index(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
12630 get_value_index(CoinFlipPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12632 return _IMP_core.CoinFlipPairPredicate_get_value_index(self, *args)
12634 def get_version_info(self):
12635 r"""get_version_info(CoinFlipPairPredicate self) -> VersionInfo"""
12636 return _IMP_core.CoinFlipPairPredicate_get_version_info(self)
12637 __swig_destroy__ = _IMP_core.delete_CoinFlipPairPredicate
12640 r"""__str__(CoinFlipPairPredicate self) -> std::string"""
12641 return _IMP_core.CoinFlipPairPredicate___str__(self)
12643 def __repr__(self):
12644 r"""__repr__(CoinFlipPairPredicate self) -> std::string"""
12645 return _IMP_core.CoinFlipPairPredicate___repr__(self)
12649 return _object_cast_to_CoinFlipPairPredicate(o)
12653 _IMP_core.CoinFlipPairPredicate_swigregister(CoinFlipPairPredicate)
12655 r"""Proxy of C++ IMP::core::ConstantTripletPredicate class."""
12657 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12659 def __init__(self, *args):
12661 __init__(ConstantTripletPredicate self, int v, std::string name="ConstTripletPredicate%1%") -> ConstantTripletPredicate
12662 __init__(ConstantTripletPredicate self) -> ConstantTripletPredicate
12664 _IMP_core.ConstantTripletPredicate_swiginit(self, _IMP_core.new_ConstantTripletPredicate(*args))
12666 def do_get_inputs(self, arg2, arg3):
12667 r"""do_get_inputs(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12668 return _IMP_core.ConstantTripletPredicate_do_get_inputs(self, arg2, arg3)
12670 def get_value(self, *args):
12672 get_value(ConstantTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12673 get_value(ConstantTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12675 return _IMP_core.ConstantTripletPredicate_get_value(self, *args)
12677 def get_value_index(self, *args):
12679 get_value_index(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
12680 get_value_index(ConstantTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12682 return _IMP_core.ConstantTripletPredicate_get_value_index(self, *args)
12684 def get_version_info(self):
12685 r"""get_version_info(ConstantTripletPredicate self) -> VersionInfo"""
12686 return _IMP_core.ConstantTripletPredicate_get_version_info(self)
12687 __swig_destroy__ = _IMP_core.delete_ConstantTripletPredicate
12690 r"""__str__(ConstantTripletPredicate self) -> std::string"""
12691 return _IMP_core.ConstantTripletPredicate___str__(self)
12693 def __repr__(self):
12694 r"""__repr__(ConstantTripletPredicate self) -> std::string"""
12695 return _IMP_core.ConstantTripletPredicate___repr__(self)
12699 return _object_cast_to_ConstantTripletPredicate(o)
12702 def _get_as_binary(self):
12703 r"""_get_as_binary(ConstantTripletPredicate self) -> PyObject *"""
12704 return _IMP_core.ConstantTripletPredicate__get_as_binary(self)
12706 def _set_from_binary(self, p):
12707 r"""_set_from_binary(ConstantTripletPredicate self, PyObject * p)"""
12708 return _IMP_core.ConstantTripletPredicate__set_from_binary(self, p)
12710 def __getstate__(self):
12711 p = self._get_as_binary()
12712 if len(self.__dict__) > 1:
12713 d = self.__dict__.copy()
12718 def __setstate__(self, p):
12719 if not hasattr(self,
'this'):
12721 if isinstance(p, tuple):
12723 self.__dict__.update(d)
12724 return self._set_from_binary(p)
12728 _IMP_core.ConstantTripletPredicate_swigregister(ConstantTripletPredicate)
12730 r"""Proxy of C++ IMP::core::UnorderedTypeTripletPredicate class."""
12732 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12734 def __init__(self, *args):
12735 r"""__init__(UnorderedTypeTripletPredicate self, std::string name="UnorderedTypeTripletPredicate%1%") -> UnorderedTypeTripletPredicate"""
12736 _IMP_core.UnorderedTypeTripletPredicate_swiginit(self, _IMP_core.new_UnorderedTypeTripletPredicate(*args))
12738 def do_get_inputs(self, m, pis):
12739 r"""do_get_inputs(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12740 return _IMP_core.UnorderedTypeTripletPredicate_do_get_inputs(self, m, pis)
12742 def get_value(self, *args):
12744 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12745 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12747 return _IMP_core.UnorderedTypeTripletPredicate_get_value(self, *args)
12749 def get_value_index(self, *args):
12751 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12752 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12754 return _IMP_core.UnorderedTypeTripletPredicate_get_value_index(self, *args)
12756 def get_version_info(self):
12757 r"""get_version_info(UnorderedTypeTripletPredicate self) -> VersionInfo"""
12758 return _IMP_core.UnorderedTypeTripletPredicate_get_version_info(self)
12759 __swig_destroy__ = _IMP_core.delete_UnorderedTypeTripletPredicate
12762 r"""__str__(UnorderedTypeTripletPredicate self) -> std::string"""
12763 return _IMP_core.UnorderedTypeTripletPredicate___str__(self)
12765 def __repr__(self):
12766 r"""__repr__(UnorderedTypeTripletPredicate self) -> std::string"""
12767 return _IMP_core.UnorderedTypeTripletPredicate___repr__(self)
12771 return _object_cast_to_UnorderedTypeTripletPredicate(o)
12774 def _get_as_binary(self):
12775 r"""_get_as_binary(UnorderedTypeTripletPredicate self) -> PyObject *"""
12776 return _IMP_core.UnorderedTypeTripletPredicate__get_as_binary(self)
12778 def _set_from_binary(self, p):
12779 r"""_set_from_binary(UnorderedTypeTripletPredicate self, PyObject * p)"""
12780 return _IMP_core.UnorderedTypeTripletPredicate__set_from_binary(self, p)
12782 def __getstate__(self):
12783 p = self._get_as_binary()
12784 if len(self.__dict__) > 1:
12785 d = self.__dict__.copy()
12790 def __setstate__(self, p):
12791 if not hasattr(self,
'this'):
12793 if isinstance(p, tuple):
12795 self.__dict__.update(d)
12796 return self._set_from_binary(p)
12800 _IMP_core.UnorderedTypeTripletPredicate_swigregister(UnorderedTypeTripletPredicate)
12802 r"""Proxy of C++ IMP::core::OrderedTypeTripletPredicate class."""
12804 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12806 def __init__(self, *args):
12807 r"""__init__(OrderedTypeTripletPredicate self, std::string name="OrderedTypeTripletPredicate%1%") -> OrderedTypeTripletPredicate"""
12808 _IMP_core.OrderedTypeTripletPredicate_swiginit(self, _IMP_core.new_OrderedTypeTripletPredicate(*args))
12810 def do_get_inputs(self, m, pis):
12811 r"""do_get_inputs(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12812 return _IMP_core.OrderedTypeTripletPredicate_do_get_inputs(self, m, pis)
12814 def get_value(self, *args):
12816 get_value(OrderedTypeTripletPredicate self, IMP::core::ParticleTypes const & types) -> int
12817 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12818 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12820 return _IMP_core.OrderedTypeTripletPredicate_get_value(self, *args)
12822 def get_value_index(self, *args):
12824 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12825 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12827 return _IMP_core.OrderedTypeTripletPredicate_get_value_index(self, *args)
12829 def get_version_info(self):
12830 r"""get_version_info(OrderedTypeTripletPredicate self) -> VersionInfo"""
12831 return _IMP_core.OrderedTypeTripletPredicate_get_version_info(self)
12832 __swig_destroy__ = _IMP_core.delete_OrderedTypeTripletPredicate
12835 r"""__str__(OrderedTypeTripletPredicate self) -> std::string"""
12836 return _IMP_core.OrderedTypeTripletPredicate___str__(self)
12838 def __repr__(self):
12839 r"""__repr__(OrderedTypeTripletPredicate self) -> std::string"""
12840 return _IMP_core.OrderedTypeTripletPredicate___repr__(self)
12844 return _object_cast_to_OrderedTypeTripletPredicate(o)
12848 _IMP_core.OrderedTypeTripletPredicate_swigregister(OrderedTypeTripletPredicate)
12850 r"""Proxy of C++ IMP::core::AllSameTripletPredicate class."""
12852 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12854 def __init__(self, *args):
12855 r"""__init__(AllSameTripletPredicate self, std::string name="AllSameTripletPredicate%1%") -> AllSameTripletPredicate"""
12856 _IMP_core.AllSameTripletPredicate_swiginit(self, _IMP_core.new_AllSameTripletPredicate(*args))
12858 def do_get_inputs(self, arg2, arg3):
12859 r"""do_get_inputs(AllSameTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12860 return _IMP_core.AllSameTripletPredicate_do_get_inputs(self, arg2, arg3)
12862 def get_value(self, *args):
12864 get_value(AllSameTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12865 get_value(AllSameTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12867 return _IMP_core.AllSameTripletPredicate_get_value(self, *args)
12869 def get_value_index(self, *args):
12871 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12872 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12874 return _IMP_core.AllSameTripletPredicate_get_value_index(self, *args)
12876 def get_version_info(self):
12877 r"""get_version_info(AllSameTripletPredicate self) -> VersionInfo"""
12878 return _IMP_core.AllSameTripletPredicate_get_version_info(self)
12879 __swig_destroy__ = _IMP_core.delete_AllSameTripletPredicate
12882 r"""__str__(AllSameTripletPredicate self) -> std::string"""
12883 return _IMP_core.AllSameTripletPredicate___str__(self)
12885 def __repr__(self):
12886 r"""__repr__(AllSameTripletPredicate self) -> std::string"""
12887 return _IMP_core.AllSameTripletPredicate___repr__(self)
12891 return _object_cast_to_AllSameTripletPredicate(o)
12894 def _get_as_binary(self):
12895 r"""_get_as_binary(AllSameTripletPredicate self) -> PyObject *"""
12896 return _IMP_core.AllSameTripletPredicate__get_as_binary(self)
12898 def _set_from_binary(self, p):
12899 r"""_set_from_binary(AllSameTripletPredicate self, PyObject * p)"""
12900 return _IMP_core.AllSameTripletPredicate__set_from_binary(self, p)
12902 def __getstate__(self):
12903 p = self._get_as_binary()
12904 if len(self.__dict__) > 1:
12905 d = self.__dict__.copy()
12910 def __setstate__(self, p):
12911 if not hasattr(self,
'this'):
12913 if isinstance(p, tuple):
12915 self.__dict__.update(d)
12916 return self._set_from_binary(p)
12920 _IMP_core.AllSameTripletPredicate_swigregister(AllSameTripletPredicate)
12922 r"""Proxy of C++ IMP::core::CoinFlipTripletPredicate class."""
12924 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12926 def __init__(self, *args):
12927 r"""__init__(CoinFlipTripletPredicate self, double p, std::string name="CoinFlipTripletPredicate%1%") -> CoinFlipTripletPredicate"""
12928 _IMP_core.CoinFlipTripletPredicate_swiginit(self, _IMP_core.new_CoinFlipTripletPredicate(*args))
12930 def do_get_inputs(self, arg2, arg3):
12931 r"""do_get_inputs(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12932 return _IMP_core.CoinFlipTripletPredicate_do_get_inputs(self, arg2, arg3)
12934 def get_value(self, *args):
12936 get_value(CoinFlipTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12937 get_value(CoinFlipTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12939 return _IMP_core.CoinFlipTripletPredicate_get_value(self, *args)
12941 def get_value_index(self, *args):
12943 get_value_index(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
12944 get_value_index(CoinFlipTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12946 return _IMP_core.CoinFlipTripletPredicate_get_value_index(self, *args)
12948 def get_version_info(self):
12949 r"""get_version_info(CoinFlipTripletPredicate self) -> VersionInfo"""
12950 return _IMP_core.CoinFlipTripletPredicate_get_version_info(self)
12951 __swig_destroy__ = _IMP_core.delete_CoinFlipTripletPredicate
12954 r"""__str__(CoinFlipTripletPredicate self) -> std::string"""
12955 return _IMP_core.CoinFlipTripletPredicate___str__(self)
12957 def __repr__(self):
12958 r"""__repr__(CoinFlipTripletPredicate self) -> std::string"""
12959 return _IMP_core.CoinFlipTripletPredicate___repr__(self)
12963 return _object_cast_to_CoinFlipTripletPredicate(o)
12967 _IMP_core.CoinFlipTripletPredicate_swigregister(CoinFlipTripletPredicate)
12969 r"""Proxy of C++ IMP::core::ConstantQuadPredicate class."""
12971 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12973 def __init__(self, *args):
12975 __init__(ConstantQuadPredicate self, int v, std::string name="ConstQuadPredicate%1%") -> ConstantQuadPredicate
12976 __init__(ConstantQuadPredicate self) -> ConstantQuadPredicate
12978 _IMP_core.ConstantQuadPredicate_swiginit(self, _IMP_core.new_ConstantQuadPredicate(*args))
12980 def do_get_inputs(self, arg2, arg3):
12981 r"""do_get_inputs(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12982 return _IMP_core.ConstantQuadPredicate_do_get_inputs(self, arg2, arg3)
12984 def get_value(self, *args):
12986 get_value(ConstantQuadPredicate self, IMP::ParticleQuad const & a) -> int
12987 get_value(ConstantQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
12989 return _IMP_core.ConstantQuadPredicate_get_value(self, *args)
12991 def get_value_index(self, *args):
12993 get_value_index(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
12994 get_value_index(ConstantQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
12996 return _IMP_core.ConstantQuadPredicate_get_value_index(self, *args)
12998 def get_version_info(self):
12999 r"""get_version_info(ConstantQuadPredicate self) -> VersionInfo"""
13000 return _IMP_core.ConstantQuadPredicate_get_version_info(self)
13001 __swig_destroy__ = _IMP_core.delete_ConstantQuadPredicate
13004 r"""__str__(ConstantQuadPredicate self) -> std::string"""
13005 return _IMP_core.ConstantQuadPredicate___str__(self)
13007 def __repr__(self):
13008 r"""__repr__(ConstantQuadPredicate self) -> std::string"""
13009 return _IMP_core.ConstantQuadPredicate___repr__(self)
13013 return _object_cast_to_ConstantQuadPredicate(o)
13016 def _get_as_binary(self):
13017 r"""_get_as_binary(ConstantQuadPredicate self) -> PyObject *"""
13018 return _IMP_core.ConstantQuadPredicate__get_as_binary(self)
13020 def _set_from_binary(self, p):
13021 r"""_set_from_binary(ConstantQuadPredicate self, PyObject * p)"""
13022 return _IMP_core.ConstantQuadPredicate__set_from_binary(self, p)
13024 def __getstate__(self):
13025 p = self._get_as_binary()
13026 if len(self.__dict__) > 1:
13027 d = self.__dict__.copy()
13032 def __setstate__(self, p):
13033 if not hasattr(self,
'this'):
13035 if isinstance(p, tuple):
13037 self.__dict__.update(d)
13038 return self._set_from_binary(p)
13042 _IMP_core.ConstantQuadPredicate_swigregister(ConstantQuadPredicate)
13044 r"""Proxy of C++ IMP::core::UnorderedTypeQuadPredicate class."""
13046 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13048 def __init__(self, *args):
13049 r"""__init__(UnorderedTypeQuadPredicate self, std::string name="UnorderedTypeQuadPredicate%1%") -> UnorderedTypeQuadPredicate"""
13050 _IMP_core.UnorderedTypeQuadPredicate_swiginit(self, _IMP_core.new_UnorderedTypeQuadPredicate(*args))
13052 def do_get_inputs(self, m, pis):
13053 r"""do_get_inputs(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13054 return _IMP_core.UnorderedTypeQuadPredicate_do_get_inputs(self, m, pis)
13056 def get_value(self, *args):
13058 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
13059 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13061 return _IMP_core.UnorderedTypeQuadPredicate_get_value(self, *args)
13063 def get_value_index(self, *args):
13065 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13066 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13068 return _IMP_core.UnorderedTypeQuadPredicate_get_value_index(self, *args)
13070 def get_version_info(self):
13071 r"""get_version_info(UnorderedTypeQuadPredicate self) -> VersionInfo"""
13072 return _IMP_core.UnorderedTypeQuadPredicate_get_version_info(self)
13073 __swig_destroy__ = _IMP_core.delete_UnorderedTypeQuadPredicate
13076 r"""__str__(UnorderedTypeQuadPredicate self) -> std::string"""
13077 return _IMP_core.UnorderedTypeQuadPredicate___str__(self)
13079 def __repr__(self):
13080 r"""__repr__(UnorderedTypeQuadPredicate self) -> std::string"""
13081 return _IMP_core.UnorderedTypeQuadPredicate___repr__(self)
13085 return _object_cast_to_UnorderedTypeQuadPredicate(o)
13088 def _get_as_binary(self):
13089 r"""_get_as_binary(UnorderedTypeQuadPredicate self) -> PyObject *"""
13090 return _IMP_core.UnorderedTypeQuadPredicate__get_as_binary(self)
13092 def _set_from_binary(self, p):
13093 r"""_set_from_binary(UnorderedTypeQuadPredicate self, PyObject * p)"""
13094 return _IMP_core.UnorderedTypeQuadPredicate__set_from_binary(self, p)
13096 def __getstate__(self):
13097 p = self._get_as_binary()
13098 if len(self.__dict__) > 1:
13099 d = self.__dict__.copy()
13104 def __setstate__(self, p):
13105 if not hasattr(self,
'this'):
13107 if isinstance(p, tuple):
13109 self.__dict__.update(d)
13110 return self._set_from_binary(p)
13114 _IMP_core.UnorderedTypeQuadPredicate_swigregister(UnorderedTypeQuadPredicate)
13116 r"""Proxy of C++ IMP::core::OrderedTypeQuadPredicate class."""
13118 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13120 def __init__(self, *args):
13121 r"""__init__(OrderedTypeQuadPredicate self, std::string name="OrderedTypeQuadPredicate%1%") -> OrderedTypeQuadPredicate"""
13122 _IMP_core.OrderedTypeQuadPredicate_swiginit(self, _IMP_core.new_OrderedTypeQuadPredicate(*args))
13124 def do_get_inputs(self, m, pis):
13125 r"""do_get_inputs(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13126 return _IMP_core.OrderedTypeQuadPredicate_do_get_inputs(self, m, pis)
13128 def get_value(self, *args):
13130 get_value(OrderedTypeQuadPredicate self, IMP::core::ParticleTypes const & types) -> int
13131 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
13132 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13134 return _IMP_core.OrderedTypeQuadPredicate_get_value(self, *args)
13136 def get_value_index(self, *args):
13138 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13139 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13141 return _IMP_core.OrderedTypeQuadPredicate_get_value_index(self, *args)
13143 def get_version_info(self):
13144 r"""get_version_info(OrderedTypeQuadPredicate self) -> VersionInfo"""
13145 return _IMP_core.OrderedTypeQuadPredicate_get_version_info(self)
13146 __swig_destroy__ = _IMP_core.delete_OrderedTypeQuadPredicate
13149 r"""__str__(OrderedTypeQuadPredicate self) -> std::string"""
13150 return _IMP_core.OrderedTypeQuadPredicate___str__(self)
13152 def __repr__(self):
13153 r"""__repr__(OrderedTypeQuadPredicate self) -> std::string"""
13154 return _IMP_core.OrderedTypeQuadPredicate___repr__(self)
13158 return _object_cast_to_OrderedTypeQuadPredicate(o)
13162 _IMP_core.OrderedTypeQuadPredicate_swigregister(OrderedTypeQuadPredicate)
13164 r"""Proxy of C++ IMP::core::AllSameQuadPredicate class."""
13166 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13168 def __init__(self, *args):
13169 r"""__init__(AllSameQuadPredicate self, std::string name="AllSameQuadPredicate%1%") -> AllSameQuadPredicate"""
13170 _IMP_core.AllSameQuadPredicate_swiginit(self, _IMP_core.new_AllSameQuadPredicate(*args))
13172 def do_get_inputs(self, arg2, arg3):
13173 r"""do_get_inputs(AllSameQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13174 return _IMP_core.AllSameQuadPredicate_do_get_inputs(self, arg2, arg3)
13176 def get_value(self, *args):
13178 get_value(AllSameQuadPredicate self, IMP::ParticleQuad const & a) -> int
13179 get_value(AllSameQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13181 return _IMP_core.AllSameQuadPredicate_get_value(self, *args)
13183 def get_value_index(self, *args):
13185 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
13186 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13188 return _IMP_core.AllSameQuadPredicate_get_value_index(self, *args)
13190 def get_version_info(self):
13191 r"""get_version_info(AllSameQuadPredicate self) -> VersionInfo"""
13192 return _IMP_core.AllSameQuadPredicate_get_version_info(self)
13193 __swig_destroy__ = _IMP_core.delete_AllSameQuadPredicate
13196 r"""__str__(AllSameQuadPredicate self) -> std::string"""
13197 return _IMP_core.AllSameQuadPredicate___str__(self)
13199 def __repr__(self):
13200 r"""__repr__(AllSameQuadPredicate self) -> std::string"""
13201 return _IMP_core.AllSameQuadPredicate___repr__(self)
13205 return _object_cast_to_AllSameQuadPredicate(o)
13208 def _get_as_binary(self):
13209 r"""_get_as_binary(AllSameQuadPredicate self) -> PyObject *"""
13210 return _IMP_core.AllSameQuadPredicate__get_as_binary(self)
13212 def _set_from_binary(self, p):
13213 r"""_set_from_binary(AllSameQuadPredicate self, PyObject * p)"""
13214 return _IMP_core.AllSameQuadPredicate__set_from_binary(self, p)
13216 def __getstate__(self):
13217 p = self._get_as_binary()
13218 if len(self.__dict__) > 1:
13219 d = self.__dict__.copy()
13224 def __setstate__(self, p):
13225 if not hasattr(self,
'this'):
13227 if isinstance(p, tuple):
13229 self.__dict__.update(d)
13230 return self._set_from_binary(p)
13234 _IMP_core.AllSameQuadPredicate_swigregister(AllSameQuadPredicate)
13236 r"""Proxy of C++ IMP::core::CoinFlipQuadPredicate class."""
13238 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13240 def __init__(self, *args):
13241 r"""__init__(CoinFlipQuadPredicate self, double p, std::string name="CoinFlipQuadPredicate%1%") -> CoinFlipQuadPredicate"""
13242 _IMP_core.CoinFlipQuadPredicate_swiginit(self, _IMP_core.new_CoinFlipQuadPredicate(*args))
13244 def do_get_inputs(self, arg2, arg3):
13245 r"""do_get_inputs(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
13246 return _IMP_core.CoinFlipQuadPredicate_do_get_inputs(self, arg2, arg3)
13248 def get_value(self, *args):
13250 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuad const & a) -> int
13251 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
13253 return _IMP_core.CoinFlipQuadPredicate_get_value(self, *args)
13255 def get_value_index(self, *args):
13257 get_value_index(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
13258 get_value_index(CoinFlipQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
13260 return _IMP_core.CoinFlipQuadPredicate_get_value_index(self, *args)
13262 def get_version_info(self):
13263 r"""get_version_info(CoinFlipQuadPredicate self) -> VersionInfo"""
13264 return _IMP_core.CoinFlipQuadPredicate_get_version_info(self)
13265 __swig_destroy__ = _IMP_core.delete_CoinFlipQuadPredicate
13268 r"""__str__(CoinFlipQuadPredicate self) -> std::string"""
13269 return _IMP_core.CoinFlipQuadPredicate___str__(self)
13271 def __repr__(self):
13272 r"""__repr__(CoinFlipQuadPredicate self) -> std::string"""
13273 return _IMP_core.CoinFlipQuadPredicate___repr__(self)
13277 return _object_cast_to_CoinFlipQuadPredicate(o)
13281 _IMP_core.CoinFlipQuadPredicate_swigregister(CoinFlipQuadPredicate)
13283 r"""Proxy of C++ IMP::core::InBoundingBox3DSingletonPredicate class."""
13285 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13287 def __init__(self, *args):
13288 r"""__init__(InBoundingBox3DSingletonPredicate self, BoundingBox3D bb, std::string name="InBoundingBox3DSingletonPredicate%1%") -> InBoundingBox3DSingletonPredicate"""
13289 _IMP_core.InBoundingBox3DSingletonPredicate_swiginit(self, _IMP_core.new_InBoundingBox3DSingletonPredicate(*args))
13291 def do_get_inputs(self, m, pi):
13292 r"""do_get_inputs(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13293 return _IMP_core.InBoundingBox3DSingletonPredicate_do_get_inputs(self, m, pi)
13295 def get_value(self, *args):
13297 get_value(InBoundingBox3DSingletonPredicate self, Particle a) -> int
13298 get_value(InBoundingBox3DSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
13300 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value(self, *args)
13302 def get_value_index(self, *args):
13304 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, ParticleIndex pi) -> int
13305 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
13307 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value_index(self, *args)
13309 def get_version_info(self):
13310 r"""get_version_info(InBoundingBox3DSingletonPredicate self) -> VersionInfo"""
13311 return _IMP_core.InBoundingBox3DSingletonPredicate_get_version_info(self)
13312 __swig_destroy__ = _IMP_core.delete_InBoundingBox3DSingletonPredicate
13315 r"""__str__(InBoundingBox3DSingletonPredicate self) -> std::string"""
13316 return _IMP_core.InBoundingBox3DSingletonPredicate___str__(self)
13318 def __repr__(self):
13319 r"""__repr__(InBoundingBox3DSingletonPredicate self) -> std::string"""
13320 return _IMP_core.InBoundingBox3DSingletonPredicate___repr__(self)
13324 return _object_cast_to_InBoundingBox3DSingletonPredicate(o)
13328 _IMP_core.InBoundingBox3DSingletonPredicate_swigregister(InBoundingBox3DSingletonPredicate)
13330 r"""Proxy of C++ IMP::core::AttributeSingletonPredicate class."""
13332 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13334 def __init__(self, *args):
13335 r"""__init__(AttributeSingletonPredicate self, IntKey bb, std::string name="AttributeSingletonPredicate%1%") -> AttributeSingletonPredicate"""
13336 _IMP_core.AttributeSingletonPredicate_swiginit(self, _IMP_core.new_AttributeSingletonPredicate(*args))
13338 def do_get_inputs(self, m, pi):
13339 r"""do_get_inputs(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13340 return _IMP_core.AttributeSingletonPredicate_do_get_inputs(self, m, pi)
13342 def get_value(self, *args):
13344 get_value(AttributeSingletonPredicate self, Particle a) -> int
13345 get_value(AttributeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
13347 return _IMP_core.AttributeSingletonPredicate_get_value(self, *args)
13349 def get_value_index(self, *args):
13351 get_value_index(AttributeSingletonPredicate self, Model m, ParticleIndex pi) -> int
13352 get_value_index(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
13354 return _IMP_core.AttributeSingletonPredicate_get_value_index(self, *args)
13356 def get_version_info(self):
13357 r"""get_version_info(AttributeSingletonPredicate self) -> VersionInfo"""
13358 return _IMP_core.AttributeSingletonPredicate_get_version_info(self)
13359 __swig_destroy__ = _IMP_core.delete_AttributeSingletonPredicate
13362 r"""__str__(AttributeSingletonPredicate self) -> std::string"""
13363 return _IMP_core.AttributeSingletonPredicate___str__(self)
13365 def __repr__(self):
13366 r"""__repr__(AttributeSingletonPredicate self) -> std::string"""
13367 return _IMP_core.AttributeSingletonPredicate___repr__(self)
13371 return _object_cast_to_AttributeSingletonPredicate(o)
13375 _IMP_core.AttributeSingletonPredicate_swigregister(AttributeSingletonPredicate)
13377 r"""Proxy of C++ IMP::core::IsCollisionPairPredicate class."""
13379 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13381 def __init__(self, *args):
13382 r"""__init__(IsCollisionPairPredicate self, std::string name="CollisionPairPredicate%1%") -> IsCollisionPairPredicate"""
13383 _IMP_core.IsCollisionPairPredicate_swiginit(self, _IMP_core.new_IsCollisionPairPredicate(*args))
13385 def do_get_inputs(self, m, pi):
13386 r"""do_get_inputs(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13387 return _IMP_core.IsCollisionPairPredicate_do_get_inputs(self, m, pi)
13389 def get_value(self, *args):
13391 get_value(IsCollisionPairPredicate self, IMP::ParticlePair const & a) -> int
13392 get_value(IsCollisionPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
13394 return _IMP_core.IsCollisionPairPredicate_get_value(self, *args)
13396 def get_value_index(self, *args):
13398 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
13399 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
13401 return _IMP_core.IsCollisionPairPredicate_get_value_index(self, *args)
13403 def get_version_info(self):
13404 r"""get_version_info(IsCollisionPairPredicate self) -> VersionInfo"""
13405 return _IMP_core.IsCollisionPairPredicate_get_version_info(self)
13406 __swig_destroy__ = _IMP_core.delete_IsCollisionPairPredicate
13409 r"""__str__(IsCollisionPairPredicate self) -> std::string"""
13410 return _IMP_core.IsCollisionPairPredicate___str__(self)
13412 def __repr__(self):
13413 r"""__repr__(IsCollisionPairPredicate self) -> std::string"""
13414 return _IMP_core.IsCollisionPairPredicate___repr__(self)
13418 return _object_cast_to_IsCollisionPairPredicate(o)
13422 _IMP_core.IsCollisionPairPredicate_swigregister(IsCollisionPairPredicate)
13423 class AngleRestraint(TripletRestraint):
13424 r"""Proxy of C++ IMP::core::AngleRestraint class."""
13426 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13428 def __init__(self, *args):
13430 __init__(AngleRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3) -> AngleRestraint
13431 __init__(AngleRestraint self) -> AngleRestraint
13433 _IMP_core.AngleRestraint_swiginit(self, _IMP_core.new_AngleRestraint(*args))
13434 __swig_destroy__ = _IMP_core.delete_AngleRestraint
13437 r"""__str__(AngleRestraint self) -> std::string"""
13438 return _IMP_core.AngleRestraint___str__(self)
13440 def __repr__(self):
13441 r"""__repr__(AngleRestraint self) -> std::string"""
13442 return _IMP_core.AngleRestraint___repr__(self)
13446 return _object_cast_to_AngleRestraint(o)
13449 def _get_as_binary(self):
13450 r"""_get_as_binary(AngleRestraint self) -> PyObject *"""
13451 return _IMP_core.AngleRestraint__get_as_binary(self)
13453 def _set_from_binary(self, p):
13454 r"""_set_from_binary(AngleRestraint self, PyObject * p)"""
13455 return _IMP_core.AngleRestraint__set_from_binary(self, p)
13457 def __getstate__(self):
13458 p = self._get_as_binary()
13459 if len(self.__dict__) > 1:
13460 d = self.__dict__.copy()
13465 def __setstate__(self, p):
13466 if not hasattr(self,
'this'):
13468 if isinstance(p, tuple):
13470 self.__dict__.update(d)
13471 return self._set_from_binary(p)
13475 _IMP_core.AngleRestraint_swigregister(AngleRestraint)
13476 class RigidBodyMover(MonteCarloMover):
13477 r"""Proxy of C++ IMP::core::RigidBodyMover class."""
13479 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13481 def __init__(self, *args):
13483 __init__(RigidBodyMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation) -> RigidBodyMover
13484 __init__(RigidBodyMover self) -> RigidBodyMover
13486 _IMP_core.RigidBodyMover_swiginit(self, _IMP_core.new_RigidBodyMover(*args))
13488 def set_maximum_translation(self, mt):
13489 r"""set_maximum_translation(RigidBodyMover self, IMP::Float mt)"""
13490 return _IMP_core.RigidBodyMover_set_maximum_translation(self, mt)
13492 def set_maximum_rotation(self, mr):
13493 r"""set_maximum_rotation(RigidBodyMover self, IMP::Float mr)"""
13494 return _IMP_core.RigidBodyMover_set_maximum_rotation(self, mr)
13496 def get_maximum_translation(self):
13497 r"""get_maximum_translation(RigidBodyMover self) -> IMP::Float"""
13498 return _IMP_core.RigidBodyMover_get_maximum_translation(self)
13500 def get_maximum_rotation(self):
13501 r"""get_maximum_rotation(RigidBodyMover self) -> IMP::Float"""
13502 return _IMP_core.RigidBodyMover_get_maximum_rotation(self)
13505 r"""get_index(RigidBodyMover self) -> ParticleIndex"""
13506 return _IMP_core.RigidBodyMover_get_index(self)
13508 def get_version_info(self):
13509 r"""get_version_info(RigidBodyMover self) -> VersionInfo"""
13510 return _IMP_core.RigidBodyMover_get_version_info(self)
13511 __swig_destroy__ = _IMP_core.delete_RigidBodyMover
13514 r"""__str__(RigidBodyMover self) -> std::string"""
13515 return _IMP_core.RigidBodyMover___str__(self)
13517 def __repr__(self):
13518 r"""__repr__(RigidBodyMover self) -> std::string"""
13519 return _IMP_core.RigidBodyMover___repr__(self)
13523 return _object_cast_to_RigidBodyMover(o)
13526 def _get_as_binary(self):
13527 r"""_get_as_binary(RigidBodyMover self) -> PyObject *"""
13528 return _IMP_core.RigidBodyMover__get_as_binary(self)
13530 def _set_from_binary(self, p):
13531 r"""_set_from_binary(RigidBodyMover self, PyObject * p)"""
13532 return _IMP_core.RigidBodyMover__set_from_binary(self, p)
13534 def __getstate__(self):
13535 p = self._get_as_binary()
13536 if len(self.__dict__) > 1:
13537 d = self.__dict__.copy()
13542 def __setstate__(self, p):
13543 if not hasattr(self,
'this'):
13545 if isinstance(p, tuple):
13547 self.__dict__.update(d)
13548 return self._set_from_binary(p)
13552 _IMP_core.RigidBodyMover_swigregister(RigidBodyMover)
13553 class RigidBodyTunneler(MonteCarloMover):
13554 r"""Proxy of C++ IMP::core::RigidBodyTunneler class."""
13556 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13558 def __init__(self, m, pis, ref, k, move_probability=1.):
13559 r"""__init__(RigidBodyTunneler self, Model m, IMP::ParticleIndexes pis, ParticleIndex ref, double k, double move_probability=1.) -> RigidBodyTunneler"""
13560 _IMP_core.RigidBodyTunneler_swiginit(self, _IMP_core.new_RigidBodyTunneler(m, pis, ref, k, move_probability))
13562 def add_entry_point(self, fl):
13563 r"""add_entry_point(RigidBodyTunneler self, IMP::Floats fl)"""
13564 return _IMP_core.RigidBodyTunneler_add_entry_point(self, fl)
13566 def reset_stats(self):
13567 r"""reset_stats(RigidBodyTunneler self)"""
13568 return _IMP_core.RigidBodyTunneler_reset_stats(self)
13570 def get_number_of_rejected_moves(self):
13571 r"""get_number_of_rejected_moves(RigidBodyTunneler self) -> unsigned int"""
13572 return _IMP_core.RigidBodyTunneler_get_number_of_rejected_moves(self)
13574 def get_number_of_proposed_moves(self):
13575 r"""get_number_of_proposed_moves(RigidBodyTunneler self) -> unsigned int"""
13576 return _IMP_core.RigidBodyTunneler_get_number_of_proposed_moves(self)
13578 def get_number_of_impossible_moves(self):
13579 r"""get_number_of_impossible_moves(RigidBodyTunneler self) -> unsigned int"""
13580 return _IMP_core.RigidBodyTunneler_get_number_of_impossible_moves(self)
13582 def get_number_of_calls(self):
13583 r"""get_number_of_calls(RigidBodyTunneler self) -> unsigned int"""
13584 return _IMP_core.RigidBodyTunneler_get_number_of_calls(self)
13587 def get_reduced_coordinates(*args):
13589 get_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref) -> IMP::Floats
13590 get_reduced_coordinates(Model m, ParticleIndex pi) -> IMP::Floats
13592 return _IMP_core.RigidBodyTunneler_get_reduced_coordinates(*args)
13595 def set_reduced_coordinates(m, target, ref, coords):
13596 r"""set_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref, IMP::Floats coords)"""
13597 return _IMP_core.RigidBodyTunneler_set_reduced_coordinates(m, target, ref, coords)
13599 def get_version_info(self):
13600 r"""get_version_info(RigidBodyTunneler self) -> VersionInfo"""
13601 return _IMP_core.RigidBodyTunneler_get_version_info(self)
13602 __swig_destroy__ = _IMP_core.delete_RigidBodyTunneler
13605 r"""__str__(RigidBodyTunneler self) -> std::string"""
13606 return _IMP_core.RigidBodyTunneler___str__(self)
13608 def __repr__(self):
13609 r"""__repr__(RigidBodyTunneler self) -> std::string"""
13610 return _IMP_core.RigidBodyTunneler___repr__(self)
13614 return _object_cast_to_RigidBodyTunneler(o)
13618 _IMP_core.RigidBodyTunneler_swigregister(RigidBodyTunneler)
13620 r"""Proxy of C++ IMP::core::RigidBodyUmbrella class."""
13622 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13624 def __init__(self, *args):
13626 __init__(RigidBodyUmbrella self, Model m, ParticleIndex pi, ParticleIndex ref, IMP::Floats x0, double alpha, double k, std::string name="RigidBodyUmbrella %1%") -> RigidBodyUmbrella
13627 __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
13629 _IMP_core.RigidBodyUmbrella_swiginit(self, _IMP_core.new_RigidBodyUmbrella(*args))
13631 def set_x0(self, *args):
13633 set_x0(RigidBodyUmbrella self, IMP::Floats x0)
13634 set_x0(RigidBodyUmbrella self, double _lambda, IMP::Floats x1, IMP::Floats x2)
13636 return _IMP_core.RigidBodyUmbrella_set_x0(self, *args)
13639 r"""get_x0(RigidBodyUmbrella self) -> IMP::Floats"""
13640 return _IMP_core.RigidBodyUmbrella_get_x0(self)
13643 r"""get_x(RigidBodyUmbrella self) -> IMP::Floats"""
13644 return _IMP_core.RigidBodyUmbrella_get_x(self)
13646 def set_alpha(self, alpha):
13647 r"""set_alpha(RigidBodyUmbrella self, double alpha)"""
13648 return _IMP_core.RigidBodyUmbrella_set_alpha(self, alpha)
13650 def set_k(self, k):
13651 r"""set_k(RigidBodyUmbrella self, double k)"""
13652 return _IMP_core.RigidBodyUmbrella_set_k(self, k)
13654 def get_version_info(self):
13655 r"""get_version_info(RigidBodyUmbrella self) -> VersionInfo"""
13656 return _IMP_core.RigidBodyUmbrella_get_version_info(self)
13657 __swig_destroy__ = _IMP_core.delete_RigidBodyUmbrella
13660 r"""__str__(RigidBodyUmbrella self) -> std::string"""
13661 return _IMP_core.RigidBodyUmbrella___str__(self)
13663 def __repr__(self):
13664 r"""__repr__(RigidBodyUmbrella self) -> std::string"""
13665 return _IMP_core.RigidBodyUmbrella___repr__(self)
13669 return _object_cast_to_RigidBodyUmbrella(o)
13673 _IMP_core.RigidBodyUmbrella_swigregister(RigidBodyUmbrella)
13675 r"""Proxy of C++ IMP::core::VolumeRestraint class."""
13677 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13679 def __init__(self, f, sc, volume):
13680 r"""__init__(VolumeRestraint self, UnaryFunction f, SingletonContainer sc, double volume) -> VolumeRestraint"""
13681 _IMP_core.VolumeRestraint_swiginit(self, _IMP_core.new_VolumeRestraint(f, sc, volume))
13683 def do_get_inputs(self):
13684 r"""do_get_inputs(VolumeRestraint self) -> IMP::ModelObjectsTemp"""
13685 return _IMP_core.VolumeRestraint_do_get_inputs(self)
13687 def get_version_info(self):
13688 r"""get_version_info(VolumeRestraint self) -> VersionInfo"""
13689 return _IMP_core.VolumeRestraint_get_version_info(self)
13690 __swig_destroy__ = _IMP_core.delete_VolumeRestraint
13693 r"""__str__(VolumeRestraint self) -> std::string"""
13694 return _IMP_core.VolumeRestraint___str__(self)
13696 def __repr__(self):
13697 r"""__repr__(VolumeRestraint self) -> std::string"""
13698 return _IMP_core.VolumeRestraint___repr__(self)
13702 return _object_cast_to_VolumeRestraint(o)
13706 _IMP_core.VolumeRestraint_swigregister(VolumeRestraint)
13709 r"""get_centroid(IMP::core::XYZs const & ps) -> Vector3D"""
13710 return _IMP_core.get_centroid(ps)
13713 r"""get_bounding_box(IMP::core::XYZRs const & ps) -> BoundingBox3D"""
13714 return _IMP_core.get_bounding_box(ps)
13716 r"""Proxy of C++ IMP::core::MoveStatisticsScoreState class."""
13718 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13720 def __init__(self, ps):
13721 r"""__init__(MoveStatisticsScoreState self, IMP::ParticlesTemp const & ps) -> MoveStatisticsScoreState"""
13722 _IMP_core.MoveStatisticsScoreState_swiginit(self, _IMP_core.new_MoveStatisticsScoreState(ps))
13724 def show_statistics(self, *args):
13725 r"""show_statistics(MoveStatisticsScoreState self, _ostream out=std::cout)"""
13726 return _IMP_core.MoveStatisticsScoreState_show_statistics(self, *args)
13729 r"""reset(MoveStatisticsScoreState self)"""
13730 return _IMP_core.MoveStatisticsScoreState_reset(self)
13732 def do_before_evaluate(self):
13733 r"""do_before_evaluate(MoveStatisticsScoreState self)"""
13734 return _IMP_core.MoveStatisticsScoreState_do_before_evaluate(self)
13736 def do_after_evaluate(self, da):
13737 r"""do_after_evaluate(MoveStatisticsScoreState self, DerivativeAccumulator da)"""
13738 return _IMP_core.MoveStatisticsScoreState_do_after_evaluate(self, da)
13740 def do_get_inputs(self):
13741 r"""do_get_inputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
13742 return _IMP_core.MoveStatisticsScoreState_do_get_inputs(self)
13744 def do_get_outputs(self):
13745 r"""do_get_outputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
13746 return _IMP_core.MoveStatisticsScoreState_do_get_outputs(self)
13748 def get_version_info(self):
13749 r"""get_version_info(MoveStatisticsScoreState self) -> VersionInfo"""
13750 return _IMP_core.MoveStatisticsScoreState_get_version_info(self)
13751 __swig_destroy__ = _IMP_core.delete_MoveStatisticsScoreState
13754 r"""__str__(MoveStatisticsScoreState self) -> std::string"""
13755 return _IMP_core.MoveStatisticsScoreState___str__(self)
13757 def __repr__(self):
13758 r"""__repr__(MoveStatisticsScoreState self) -> std::string"""
13759 return _IMP_core.MoveStatisticsScoreState___repr__(self)
13763 return _object_cast_to_MoveStatisticsScoreState(o)
13767 _IMP_core.MoveStatisticsScoreState_swigregister(MoveStatisticsScoreState)
13768 IMP_PARTICLE_TYPE_INDEX = _IMP_core.IMP_PARTICLE_TYPE_INDEX
13771 r"""Proxy of C++ IMP::core::Typed class."""
13773 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13776 def get_type_key():
13777 r"""get_type_key() -> IntKey"""
13778 return _IMP_core.Typed_get_type_key()
13780 def __init__(self, *args):
13782 __init__(Typed self) -> Typed
13783 __init__(Typed self, Model m, ParticleIndex id) -> Typed
13784 __init__(Typed self, _ParticleAdaptor d) -> Typed
13786 _IMP_core.Typed_swiginit(self, _IMP_core.new_Typed(*args))
13788 def show(self, *args):
13789 r"""show(Typed self, _ostream out=std::cout)"""
13790 return _IMP_core.Typed_show(self, *args)
13793 def setup_particle(*args):
13795 setup_particle(Model m, ParticleIndex pi, ParticleType t) -> Typed
13796 setup_particle(_ParticleAdaptor pa, ParticleType t) -> Typed
13798 return _IMP_core.Typed_setup_particle(*args)
13801 def get_is_setup(*args):
13803 get_is_setup(_ParticleAdaptor p) -> bool
13804 get_is_setup(Model m, ParticleIndex pi) -> bool
13806 return _IMP_core.Typed_get_is_setup(*args)
13808 def get_type(self):
13809 r"""get_type(Typed self) -> ParticleType"""
13810 return _IMP_core.Typed_get_type(self)
13812 def set_type(self, pt):
13813 r"""set_type(Typed self, ParticleType pt)"""
13814 return _IMP_core.Typed_set_type(self, pt)
13816 def add_attribute(self, *args):
13818 add_attribute(Typed self, FloatKey k, IMP::Float v, bool opt)
13819 add_attribute(Typed self, FloatKey a0, IMP::Float a1)
13820 add_attribute(Typed self, IntKey a0, IMP::Int a1)
13821 add_attribute(Typed self, FloatsKey a0, IMP::Floats a1)
13822 add_attribute(Typed self, IntsKey a0, IMP::Ints a1)
13823 add_attribute(Typed self, StringKey a0, IMP::String a1)
13824 add_attribute(Typed self, ParticleIndexKey a0, Particle a1)
13825 add_attribute(Typed self, ObjectKey a0, Object a1)
13826 add_attribute(Typed self, SparseFloatKey a0, IMP::Float a1)
13827 add_attribute(Typed self, SparseIntKey a0, IMP::Int a1)
13828 add_attribute(Typed self, SparseStringKey a0, IMP::String a1)
13829 add_attribute(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
13831 return _IMP_core.Typed_add_attribute(self, *args)
13833 def get_value(self, *args):
13835 get_value(Typed self, FloatKey a0) -> IMP::Float
13836 get_value(Typed self, IntKey a0) -> IMP::Int
13837 get_value(Typed self, FloatsKey a0) -> IMP::Floats
13838 get_value(Typed self, IntsKey a0) -> IMP::Ints
13839 get_value(Typed self, StringKey a0) -> IMP::String
13840 get_value(Typed self, ParticleIndexKey a0) -> Particle
13841 get_value(Typed self, ObjectKey a0) -> Object
13842 get_value(Typed self, SparseFloatKey a0) -> IMP::Float
13843 get_value(Typed self, SparseIntKey a0) -> IMP::Int
13844 get_value(Typed self, SparseStringKey a0) -> IMP::String
13845 get_value(Typed self, SparseParticleIndexKey a0) -> ParticleIndex
13847 return _IMP_core.Typed_get_value(self, *args)
13849 def set_value(self, *args):
13851 set_value(Typed self, FloatKey a0, IMP::Float a1)
13852 set_value(Typed self, IntKey a0, IMP::Int a1)
13853 set_value(Typed self, FloatsKey a0, IMP::Floats a1)
13854 set_value(Typed self, IntsKey a0, IMP::Ints a1)
13855 set_value(Typed self, StringKey a0, IMP::String a1)
13856 set_value(Typed self, ParticleIndexKey a0, Particle a1)
13857 set_value(Typed self, ObjectKey a0, Object a1)
13858 set_value(Typed self, SparseFloatKey a0, IMP::Float a1)
13859 set_value(Typed self, SparseIntKey a0, IMP::Int a1)
13860 set_value(Typed self, SparseStringKey a0, IMP::String a1)
13861 set_value(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
13863 return _IMP_core.Typed_set_value(self, *args)
13865 def remove_attribute(self, *args):
13867 remove_attribute(Typed self, FloatKey a0)
13868 remove_attribute(Typed self, IntKey a0)
13869 remove_attribute(Typed self, FloatsKey a0)
13870 remove_attribute(Typed self, IntsKey a0)
13871 remove_attribute(Typed self, StringKey a0)
13872 remove_attribute(Typed self, ParticleIndexKey a0)
13873 remove_attribute(Typed self, ObjectKey a0)
13874 remove_attribute(Typed self, SparseFloatKey a0)
13875 remove_attribute(Typed self, SparseIntKey a0)
13876 remove_attribute(Typed self, SparseStringKey a0)
13877 remove_attribute(Typed self, SparseParticleIndexKey a0)
13879 return _IMP_core.Typed_remove_attribute(self, *args)
13881 def has_attribute(self, *args):
13883 has_attribute(Typed self, FloatKey a0) -> bool
13884 has_attribute(Typed self, IntKey a0) -> bool
13885 has_attribute(Typed self, FloatsKey a0) -> bool
13886 has_attribute(Typed self, IntsKey a0) -> bool
13887 has_attribute(Typed self, StringKey a0) -> bool
13888 has_attribute(Typed self, ParticleIndexKey a0) -> bool
13889 has_attribute(Typed self, ObjectKey a0) -> bool
13890 has_attribute(Typed self, SparseFloatKey a0) -> bool
13891 has_attribute(Typed self, SparseIntKey a0) -> bool
13892 has_attribute(Typed self, SparseStringKey a0) -> bool
13893 has_attribute(Typed self, SparseParticleIndexKey a0) -> bool
13895 return _IMP_core.Typed_has_attribute(self, *args)
13897 def get_derivative(self, a0):
13898 r"""get_derivative(Typed self, FloatKey a0) -> double"""
13899 return _IMP_core.Typed_get_derivative(self, a0)
13901 def get_name(self):
13902 r"""get_name(Typed self) -> std::string"""
13903 return _IMP_core.Typed_get_name(self)
13905 def clear_caches(self):
13906 r"""clear_caches(Typed self)"""
13907 return _IMP_core.Typed_clear_caches(self)
13909 def set_name(self, a0):
13910 r"""set_name(Typed self, std::string a0)"""
13911 return _IMP_core.Typed_set_name(self, a0)
13914 r"""set_check_level(Typed self, IMP::CheckLevel a0)"""
13915 return _IMP_core.Typed_set_check_level(self, a0)
13917 def add_to_derivative(self, a0, a1, a2):
13918 r"""add_to_derivative(Typed self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
13919 return _IMP_core.Typed_add_to_derivative(self, a0, a1, a2)
13921 def set_is_optimized(self, a0, a1):
13922 r"""set_is_optimized(Typed self, FloatKey a0, bool a1)"""
13923 return _IMP_core.Typed_set_is_optimized(self, a0, a1)
13925 def get_is_optimized(self, a0):
13926 r"""get_is_optimized(Typed self, FloatKey a0) -> bool"""
13927 return _IMP_core.Typed_get_is_optimized(self, a0)
13930 r"""get_check_level(Typed self) -> IMP::CheckLevel"""
13931 return _IMP_core.Typed_get_check_level(self)
13933 def __eq__(self, *args):
13935 __eq__(Typed self, Typed o) -> bool
13936 __eq__(Typed self, Particle d) -> bool
13938 return _IMP_core.Typed___eq__(self, *args)
13940 def __ne__(self, *args):
13942 __ne__(Typed self, Typed o) -> bool
13943 __ne__(Typed self, Particle d) -> bool
13945 return _IMP_core.Typed___ne__(self, *args)
13947 def __le__(self, *args):
13949 __le__(Typed self, Typed o) -> bool
13950 __le__(Typed self, Particle d) -> bool
13952 return _IMP_core.Typed___le__(self, *args)
13954 def __lt__(self, *args):
13956 __lt__(Typed self, Typed o) -> bool
13957 __lt__(Typed self, Particle d) -> bool
13959 return _IMP_core.Typed___lt__(self, *args)
13961 def __ge__(self, *args):
13963 __ge__(Typed self, Typed o) -> bool
13964 __ge__(Typed self, Particle d) -> bool
13966 return _IMP_core.Typed___ge__(self, *args)
13968 def __gt__(self, *args):
13970 __gt__(Typed self, Typed o) -> bool
13971 __gt__(Typed self, Particle d) -> bool
13973 return _IMP_core.Typed___gt__(self, *args)
13975 def __hash__(self):
13976 r"""__hash__(Typed self) -> std::size_t"""
13977 return _IMP_core.Typed___hash__(self)
13980 r"""__str__(Typed self) -> std::string"""
13981 return _IMP_core.Typed___str__(self)
13983 def __repr__(self):
13984 r"""__repr__(Typed self) -> std::string"""
13985 return _IMP_core.Typed___repr__(self)
13987 def _get_as_binary(self):
13988 r"""_get_as_binary(Typed self) -> PyObject *"""
13989 return _IMP_core.Typed__get_as_binary(self)
13991 def _set_from_binary(self, p):
13992 r"""_set_from_binary(Typed self, PyObject * p)"""
13993 return _IMP_core.Typed__set_from_binary(self, p)
13995 def __getstate__(self):
13996 p = self._get_as_binary()
13997 if len(self.__dict__) > 1:
13998 d = self.__dict__.copy()
14003 def __setstate__(self, p):
14004 if not hasattr(self,
'this'):
14006 if isinstance(p, tuple):
14008 self.__dict__.update(d)
14009 return self._set_from_binary(p)
14011 __swig_destroy__ = _IMP_core.delete_Typed
14014 _IMP_core.Typed_swigregister(Typed)
14016 def __lshift__(*args):
14018 __lshift__(_ostream out, XYZ n) -> _ostream
14019 __lshift__(_ostream out, XYZR n) -> _ostream
14020 __lshift__(_ostream out, Direction n) -> _ostream
14021 __lshift__(_ostream out, DirectionAngle n) -> _ostream
14022 __lshift__(_ostream out, Surface n) -> _ostream
14023 __lshift__(_ostream out, Centroid n) -> _ostream
14024 __lshift__(_ostream out, Cover n) -> _ostream
14025 __lshift__(_ostream out, Reference n) -> _ostream
14026 __lshift__(_ostream out, RigidMember n) -> _ostream
14027 __lshift__(_ostream out, RigidBody n) -> _ostream
14028 __lshift__(_ostream out, Gaussian n) -> _ostream
14029 __lshift__(_ostream out, Typed n) -> _ostream
14031 return _IMP_core.__lshift__(*args)
14033 r"""Proxy of C++ IMP::core::WriteRestraintScoresOptimizerState class."""
14035 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14037 def __init__(self, rs, out):
14038 r"""__init__(WriteRestraintScoresOptimizerState self, IMP::Restraints const & rs, TextOutput out) -> WriteRestraintScoresOptimizerState"""
14039 _IMP_core.WriteRestraintScoresOptimizerState_swiginit(self, _IMP_core.new_WriteRestraintScoresOptimizerState(rs, out))
14041 def get_version_info(self):
14042 r"""get_version_info(WriteRestraintScoresOptimizerState self) -> VersionInfo"""
14043 return _IMP_core.WriteRestraintScoresOptimizerState_get_version_info(self)
14044 __swig_destroy__ = _IMP_core.delete_WriteRestraintScoresOptimizerState
14047 r"""__str__(WriteRestraintScoresOptimizerState self) -> std::string"""
14048 return _IMP_core.WriteRestraintScoresOptimizerState___str__(self)
14050 def __repr__(self):
14051 r"""__repr__(WriteRestraintScoresOptimizerState self) -> std::string"""
14052 return _IMP_core.WriteRestraintScoresOptimizerState___repr__(self)
14056 return _object_cast_to_WriteRestraintScoresOptimizerState(o)
14060 _IMP_core.WriteRestraintScoresOptimizerState_swigregister(WriteRestraintScoresOptimizerState)
14063 r"""assign_blame(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, FloatKey attribute)"""
14064 return _IMP_core.assign_blame(rs, ps, attribute)
14067 r"""create_blame_geometries(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, double max=NO_MAX, std::string name=std::string()) -> IMP::display::Geometries"""
14068 return _IMP_core.create_blame_geometries(*args)
14070 r"""Proxy of C++ IMP::core::MultipleBinormalRestraint class."""
14072 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14074 def __init__(self, m, q1, q2):
14075 r"""__init__(MultipleBinormalRestraint self, Model m, IMP::ParticleIndexQuad const & q1, IMP::ParticleIndexQuad const & q2) -> MultipleBinormalRestraint"""
14076 _IMP_core.MultipleBinormalRestraint_swiginit(self, _IMP_core.new_MultipleBinormalRestraint(m, q1, q2))
14078 def add_term(self, term):
14079 r"""add_term(MultipleBinormalRestraint self, BinormalTerm term)"""
14080 return _IMP_core.MultipleBinormalRestraint_add_term(self, term)
14082 def do_get_inputs(self):
14083 r"""do_get_inputs(MultipleBinormalRestraint self) -> IMP::ModelObjectsTemp"""
14084 return _IMP_core.MultipleBinormalRestraint_do_get_inputs(self)
14086 def get_version_info(self):
14087 r"""get_version_info(MultipleBinormalRestraint self) -> VersionInfo"""
14088 return _IMP_core.MultipleBinormalRestraint_get_version_info(self)
14089 __swig_destroy__ = _IMP_core.delete_MultipleBinormalRestraint
14092 r"""__str__(MultipleBinormalRestraint self) -> std::string"""
14093 return _IMP_core.MultipleBinormalRestraint___str__(self)
14095 def __repr__(self):
14096 r"""__repr__(MultipleBinormalRestraint self) -> std::string"""
14097 return _IMP_core.MultipleBinormalRestraint___repr__(self)
14101 return _object_cast_to_MultipleBinormalRestraint(o)
14105 _IMP_core.MultipleBinormalRestraint_swigregister(MultipleBinormalRestraint)
14106 class BinormalTerm(object):
14107 r"""Proxy of C++ IMP::core::BinormalTerm class."""
14109 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14111 def __init__(self):
14112 r"""__init__(BinormalTerm self) -> BinormalTerm"""
14113 _IMP_core.BinormalTerm_swiginit(self, _IMP_core.new_BinormalTerm())
14115 def set_correlation(self, correlation):
14116 r"""set_correlation(BinormalTerm self, double correlation)"""
14117 return _IMP_core.BinormalTerm_set_correlation(self, correlation)
14119 def set_weight(self, weight):
14120 r"""set_weight(BinormalTerm self, double weight)"""
14121 return _IMP_core.BinormalTerm_set_weight(self, weight)
14123 def set_means(self, means):
14124 r"""set_means(BinormalTerm self, IMP::FloatPair means)"""
14125 return _IMP_core.BinormalTerm_set_means(self, means)
14127 def set_standard_deviations(self, stdevs):
14128 r"""set_standard_deviations(BinormalTerm self, IMP::FloatPair stdevs)"""
14129 return _IMP_core.BinormalTerm_set_standard_deviations(self, stdevs)
14131 def show(self, *args):
14132 r"""show(BinormalTerm self, _ostream out=std::cout)"""
14133 return _IMP_core.BinormalTerm_show(self, *args)
14136 r"""__str__(BinormalTerm self) -> std::string"""
14137 return _IMP_core.BinormalTerm___str__(self)
14139 def __repr__(self):
14140 r"""__repr__(BinormalTerm self) -> std::string"""
14141 return _IMP_core.BinormalTerm___repr__(self)
14143 def _get_as_binary(self):
14144 r"""_get_as_binary(BinormalTerm self) -> PyObject *"""
14145 return _IMP_core.BinormalTerm__get_as_binary(self)
14147 def _set_from_binary(self, p):
14148 r"""_set_from_binary(BinormalTerm self, PyObject * p)"""
14149 return _IMP_core.BinormalTerm__set_from_binary(self, p)
14151 def __getstate__(self):
14152 p = self._get_as_binary()
14153 if len(self.__dict__) > 1:
14154 d = self.__dict__.copy()
14159 def __setstate__(self, p):
14160 if not hasattr(self,
'this'):
14162 if isinstance(p, tuple):
14164 self.__dict__.update(d)
14165 return self._set_from_binary(p)
14167 __swig_destroy__ = _IMP_core.delete_BinormalTerm
14170 _IMP_core.BinormalTerm_swigregister(BinormalTerm)
14172 r"""Proxy of C++ IMP::core::Provenance class."""
14174 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14176 def get_previous(self):
14177 r"""get_previous(Provenance self) -> Provenance"""
14178 return _IMP_core.Provenance_get_previous(self)
14180 def set_previous(self, p):
14181 r"""set_previous(Provenance self, Provenance p)"""
14182 return _IMP_core.Provenance_set_previous(self, p)
14184 def __init__(self, *args):
14186 __init__(Provenance self) -> Provenance
14187 __init__(Provenance self, Model m, ParticleIndex id) -> Provenance
14188 __init__(Provenance self, _ParticleAdaptor d) -> Provenance
14190 _IMP_core.Provenance_swiginit(self, _IMP_core.new_Provenance(*args))
14193 def get_is_setup(*args):
14195 get_is_setup(Model m, ParticleIndex pi) -> bool
14196 get_is_setup(_ParticleAdaptor p) -> bool
14198 return _IMP_core.Provenance_get_is_setup(*args)
14200 def show(self, *args):
14201 r"""show(Provenance self, _ostream out=std::cout)"""
14202 return _IMP_core.Provenance_show(self, *args)
14205 def setup_particle(*args):
14207 setup_particle(Model m, ParticleIndex pi) -> Provenance
14208 setup_particle(_ParticleAdaptor pa) -> Provenance
14210 return _IMP_core.Provenance_setup_particle(*args)
14212 def add_attribute(self, *args):
14214 add_attribute(Provenance self, FloatKey k, IMP::Float v, bool opt)
14215 add_attribute(Provenance self, FloatKey a0, IMP::Float a1)
14216 add_attribute(Provenance self, IntKey a0, IMP::Int a1)
14217 add_attribute(Provenance self, FloatsKey a0, IMP::Floats a1)
14218 add_attribute(Provenance self, IntsKey a0, IMP::Ints a1)
14219 add_attribute(Provenance self, StringKey a0, IMP::String a1)
14220 add_attribute(Provenance self, ParticleIndexKey a0, Particle a1)
14221 add_attribute(Provenance self, ObjectKey a0, Object a1)
14222 add_attribute(Provenance self, SparseFloatKey a0, IMP::Float a1)
14223 add_attribute(Provenance self, SparseIntKey a0, IMP::Int a1)
14224 add_attribute(Provenance self, SparseStringKey a0, IMP::String a1)
14225 add_attribute(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14227 return _IMP_core.Provenance_add_attribute(self, *args)
14229 def get_value(self, *args):
14231 get_value(Provenance self, FloatKey a0) -> IMP::Float
14232 get_value(Provenance self, IntKey a0) -> IMP::Int
14233 get_value(Provenance self, FloatsKey a0) -> IMP::Floats
14234 get_value(Provenance self, IntsKey a0) -> IMP::Ints
14235 get_value(Provenance self, StringKey a0) -> IMP::String
14236 get_value(Provenance self, ParticleIndexKey a0) -> Particle
14237 get_value(Provenance self, ObjectKey a0) -> Object
14238 get_value(Provenance self, SparseFloatKey a0) -> IMP::Float
14239 get_value(Provenance self, SparseIntKey a0) -> IMP::Int
14240 get_value(Provenance self, SparseStringKey a0) -> IMP::String
14241 get_value(Provenance self, SparseParticleIndexKey a0) -> ParticleIndex
14243 return _IMP_core.Provenance_get_value(self, *args)
14245 def set_value(self, *args):
14247 set_value(Provenance self, FloatKey a0, IMP::Float a1)
14248 set_value(Provenance self, IntKey a0, IMP::Int a1)
14249 set_value(Provenance self, FloatsKey a0, IMP::Floats a1)
14250 set_value(Provenance self, IntsKey a0, IMP::Ints a1)
14251 set_value(Provenance self, StringKey a0, IMP::String a1)
14252 set_value(Provenance self, ParticleIndexKey a0, Particle a1)
14253 set_value(Provenance self, ObjectKey a0, Object a1)
14254 set_value(Provenance self, SparseFloatKey a0, IMP::Float a1)
14255 set_value(Provenance self, SparseIntKey a0, IMP::Int a1)
14256 set_value(Provenance self, SparseStringKey a0, IMP::String a1)
14257 set_value(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14259 return _IMP_core.Provenance_set_value(self, *args)
14261 def remove_attribute(self, *args):
14263 remove_attribute(Provenance self, FloatKey a0)
14264 remove_attribute(Provenance self, IntKey a0)
14265 remove_attribute(Provenance self, FloatsKey a0)
14266 remove_attribute(Provenance self, IntsKey a0)
14267 remove_attribute(Provenance self, StringKey a0)
14268 remove_attribute(Provenance self, ParticleIndexKey a0)
14269 remove_attribute(Provenance self, ObjectKey a0)
14270 remove_attribute(Provenance self, SparseFloatKey a0)
14271 remove_attribute(Provenance self, SparseIntKey a0)
14272 remove_attribute(Provenance self, SparseStringKey a0)
14273 remove_attribute(Provenance self, SparseParticleIndexKey a0)
14275 return _IMP_core.Provenance_remove_attribute(self, *args)
14277 def has_attribute(self, *args):
14279 has_attribute(Provenance self, FloatKey a0) -> bool
14280 has_attribute(Provenance self, IntKey a0) -> bool
14281 has_attribute(Provenance self, FloatsKey a0) -> bool
14282 has_attribute(Provenance self, IntsKey a0) -> bool
14283 has_attribute(Provenance self, StringKey a0) -> bool
14284 has_attribute(Provenance self, ParticleIndexKey a0) -> bool
14285 has_attribute(Provenance self, ObjectKey a0) -> bool
14286 has_attribute(Provenance self, SparseFloatKey a0) -> bool
14287 has_attribute(Provenance self, SparseIntKey a0) -> bool
14288 has_attribute(Provenance self, SparseStringKey a0) -> bool
14289 has_attribute(Provenance self, SparseParticleIndexKey a0) -> bool
14291 return _IMP_core.Provenance_has_attribute(self, *args)
14293 def get_derivative(self, a0):
14294 r"""get_derivative(Provenance self, FloatKey a0) -> double"""
14295 return _IMP_core.Provenance_get_derivative(self, a0)
14297 def get_name(self):
14298 r"""get_name(Provenance self) -> std::string"""
14299 return _IMP_core.Provenance_get_name(self)
14301 def clear_caches(self):
14302 r"""clear_caches(Provenance self)"""
14303 return _IMP_core.Provenance_clear_caches(self)
14305 def set_name(self, a0):
14306 r"""set_name(Provenance self, std::string a0)"""
14307 return _IMP_core.Provenance_set_name(self, a0)
14310 r"""set_check_level(Provenance self, IMP::CheckLevel a0)"""
14311 return _IMP_core.Provenance_set_check_level(self, a0)
14313 def add_to_derivative(self, a0, a1, a2):
14314 r"""add_to_derivative(Provenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14315 return _IMP_core.Provenance_add_to_derivative(self, a0, a1, a2)
14317 def set_is_optimized(self, a0, a1):
14318 r"""set_is_optimized(Provenance self, FloatKey a0, bool a1)"""
14319 return _IMP_core.Provenance_set_is_optimized(self, a0, a1)
14321 def get_is_optimized(self, a0):
14322 r"""get_is_optimized(Provenance self, FloatKey a0) -> bool"""
14323 return _IMP_core.Provenance_get_is_optimized(self, a0)
14326 r"""get_check_level(Provenance self) -> IMP::CheckLevel"""
14327 return _IMP_core.Provenance_get_check_level(self)
14329 def __eq__(self, *args):
14331 __eq__(Provenance self, Provenance o) -> bool
14332 __eq__(Provenance self, Particle d) -> bool
14334 return _IMP_core.Provenance___eq__(self, *args)
14336 def __ne__(self, *args):
14338 __ne__(Provenance self, Provenance o) -> bool
14339 __ne__(Provenance self, Particle d) -> bool
14341 return _IMP_core.Provenance___ne__(self, *args)
14343 def __le__(self, *args):
14345 __le__(Provenance self, Provenance o) -> bool
14346 __le__(Provenance self, Particle d) -> bool
14348 return _IMP_core.Provenance___le__(self, *args)
14350 def __lt__(self, *args):
14352 __lt__(Provenance self, Provenance o) -> bool
14353 __lt__(Provenance self, Particle d) -> bool
14355 return _IMP_core.Provenance___lt__(self, *args)
14357 def __ge__(self, *args):
14359 __ge__(Provenance self, Provenance o) -> bool
14360 __ge__(Provenance self, Particle d) -> bool
14362 return _IMP_core.Provenance___ge__(self, *args)
14364 def __gt__(self, *args):
14366 __gt__(Provenance self, Provenance o) -> bool
14367 __gt__(Provenance self, Particle d) -> bool
14369 return _IMP_core.Provenance___gt__(self, *args)
14371 def __hash__(self):
14372 r"""__hash__(Provenance self) -> std::size_t"""
14373 return _IMP_core.Provenance___hash__(self)
14376 r"""__str__(Provenance self) -> std::string"""
14377 return _IMP_core.Provenance___str__(self)
14379 def __repr__(self):
14380 r"""__repr__(Provenance self) -> std::string"""
14381 return _IMP_core.Provenance___repr__(self)
14383 def _get_as_binary(self):
14384 r"""_get_as_binary(Provenance self) -> PyObject *"""
14385 return _IMP_core.Provenance__get_as_binary(self)
14387 def _set_from_binary(self, p):
14388 r"""_set_from_binary(Provenance self, PyObject * p)"""
14389 return _IMP_core.Provenance__set_from_binary(self, p)
14391 def __getstate__(self):
14392 p = self._get_as_binary()
14393 if len(self.__dict__) > 1:
14394 d = self.__dict__.copy()
14399 def __setstate__(self, p):
14400 if not hasattr(self,
'this'):
14402 if isinstance(p, tuple):
14404 self.__dict__.update(d)
14405 return self._set_from_binary(p)
14407 __swig_destroy__ = _IMP_core.delete_Provenance
14410 _IMP_core.Provenance_swigregister(Provenance)
14411 class StructureProvenance(Provenance):
14412 r"""Proxy of C++ IMP::core::StructureProvenance class."""
14414 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14416 def set_filename(self, filename):
14417 r"""set_filename(StructureProvenance self, std::string filename)"""
14418 return _IMP_core.StructureProvenance_set_filename(self, filename)
14420 def get_filename(self):
14421 r"""get_filename(StructureProvenance self) -> std::string"""
14422 return _IMP_core.StructureProvenance_get_filename(self)
14424 def set_chain_id(self, chain_id):
14425 r"""set_chain_id(StructureProvenance self, std::string chain_id)"""
14426 return _IMP_core.StructureProvenance_set_chain_id(self, chain_id)
14429 r"""get_chain_id(StructureProvenance self) -> std::string"""
14430 return _IMP_core.StructureProvenance_get_chain_id(self)
14432 def set_residue_offset(self, residue_offset):
14433 r"""set_residue_offset(StructureProvenance self, int residue_offset)"""
14434 return _IMP_core.StructureProvenance_set_residue_offset(self, residue_offset)
14436 def get_residue_offset(self):
14437 r"""get_residue_offset(StructureProvenance self) -> int"""
14438 return _IMP_core.StructureProvenance_get_residue_offset(self)
14440 def __init__(self, *args):
14442 __init__(StructureProvenance self) -> StructureProvenance
14443 __init__(StructureProvenance self, Model m, ParticleIndex id) -> StructureProvenance
14444 __init__(StructureProvenance self, _ParticleAdaptor d) -> StructureProvenance
14446 _IMP_core.StructureProvenance_swiginit(self, _IMP_core.new_StructureProvenance(*args))
14449 def get_is_setup(*args):
14451 get_is_setup(Model m, ParticleIndex pi) -> bool
14452 get_is_setup(_ParticleAdaptor p) -> bool
14454 return _IMP_core.StructureProvenance_get_is_setup(*args)
14456 def show(self, *args):
14457 r"""show(StructureProvenance self, _ostream out=std::cout)"""
14458 return _IMP_core.StructureProvenance_show(self, *args)
14461 def setup_particle(*args):
14463 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14464 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14465 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id) -> StructureProvenance
14466 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id) -> StructureProvenance
14467 setup_particle(Model m, ParticleIndex pi, StructureProvenance o) -> StructureProvenance
14468 setup_particle(_ParticleAdaptor pa, StructureProvenance o) -> StructureProvenance
14470 return _IMP_core.StructureProvenance_setup_particle(*args)
14472 def add_attribute(self, *args):
14474 add_attribute(StructureProvenance self, FloatKey k, IMP::Float v, bool opt)
14475 add_attribute(StructureProvenance self, FloatKey a0, IMP::Float a1)
14476 add_attribute(StructureProvenance self, IntKey a0, IMP::Int a1)
14477 add_attribute(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14478 add_attribute(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14479 add_attribute(StructureProvenance self, StringKey a0, IMP::String a1)
14480 add_attribute(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14481 add_attribute(StructureProvenance self, ObjectKey a0, Object a1)
14482 add_attribute(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14483 add_attribute(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14484 add_attribute(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14485 add_attribute(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14487 return _IMP_core.StructureProvenance_add_attribute(self, *args)
14489 def get_value(self, *args):
14491 get_value(StructureProvenance self, FloatKey a0) -> IMP::Float
14492 get_value(StructureProvenance self, IntKey a0) -> IMP::Int
14493 get_value(StructureProvenance self, FloatsKey a0) -> IMP::Floats
14494 get_value(StructureProvenance self, IntsKey a0) -> IMP::Ints
14495 get_value(StructureProvenance self, StringKey a0) -> IMP::String
14496 get_value(StructureProvenance self, ParticleIndexKey a0) -> Particle
14497 get_value(StructureProvenance self, ObjectKey a0) -> Object
14498 get_value(StructureProvenance self, SparseFloatKey a0) -> IMP::Float
14499 get_value(StructureProvenance self, SparseIntKey a0) -> IMP::Int
14500 get_value(StructureProvenance self, SparseStringKey a0) -> IMP::String
14501 get_value(StructureProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14503 return _IMP_core.StructureProvenance_get_value(self, *args)
14505 def set_value(self, *args):
14507 set_value(StructureProvenance self, FloatKey a0, IMP::Float a1)
14508 set_value(StructureProvenance self, IntKey a0, IMP::Int a1)
14509 set_value(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14510 set_value(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14511 set_value(StructureProvenance self, StringKey a0, IMP::String a1)
14512 set_value(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14513 set_value(StructureProvenance self, ObjectKey a0, Object a1)
14514 set_value(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14515 set_value(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14516 set_value(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14517 set_value(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14519 return _IMP_core.StructureProvenance_set_value(self, *args)
14521 def remove_attribute(self, *args):
14523 remove_attribute(StructureProvenance self, FloatKey a0)
14524 remove_attribute(StructureProvenance self, IntKey a0)
14525 remove_attribute(StructureProvenance self, FloatsKey a0)
14526 remove_attribute(StructureProvenance self, IntsKey a0)
14527 remove_attribute(StructureProvenance self, StringKey a0)
14528 remove_attribute(StructureProvenance self, ParticleIndexKey a0)
14529 remove_attribute(StructureProvenance self, ObjectKey a0)
14530 remove_attribute(StructureProvenance self, SparseFloatKey a0)
14531 remove_attribute(StructureProvenance self, SparseIntKey a0)
14532 remove_attribute(StructureProvenance self, SparseStringKey a0)
14533 remove_attribute(StructureProvenance self, SparseParticleIndexKey a0)
14535 return _IMP_core.StructureProvenance_remove_attribute(self, *args)
14537 def has_attribute(self, *args):
14539 has_attribute(StructureProvenance self, FloatKey a0) -> bool
14540 has_attribute(StructureProvenance self, IntKey a0) -> bool
14541 has_attribute(StructureProvenance self, FloatsKey a0) -> bool
14542 has_attribute(StructureProvenance self, IntsKey a0) -> bool
14543 has_attribute(StructureProvenance self, StringKey a0) -> bool
14544 has_attribute(StructureProvenance self, ParticleIndexKey a0) -> bool
14545 has_attribute(StructureProvenance self, ObjectKey a0) -> bool
14546 has_attribute(StructureProvenance self, SparseFloatKey a0) -> bool
14547 has_attribute(StructureProvenance self, SparseIntKey a0) -> bool
14548 has_attribute(StructureProvenance self, SparseStringKey a0) -> bool
14549 has_attribute(StructureProvenance self, SparseParticleIndexKey a0) -> bool
14551 return _IMP_core.StructureProvenance_has_attribute(self, *args)
14553 def get_derivative(self, a0):
14554 r"""get_derivative(StructureProvenance self, FloatKey a0) -> double"""
14555 return _IMP_core.StructureProvenance_get_derivative(self, a0)
14557 def get_name(self):
14558 r"""get_name(StructureProvenance self) -> std::string"""
14559 return _IMP_core.StructureProvenance_get_name(self)
14561 def clear_caches(self):
14562 r"""clear_caches(StructureProvenance self)"""
14563 return _IMP_core.StructureProvenance_clear_caches(self)
14565 def set_name(self, a0):
14566 r"""set_name(StructureProvenance self, std::string a0)"""
14567 return _IMP_core.StructureProvenance_set_name(self, a0)
14570 r"""set_check_level(StructureProvenance self, IMP::CheckLevel a0)"""
14571 return _IMP_core.StructureProvenance_set_check_level(self, a0)
14573 def add_to_derivative(self, a0, a1, a2):
14574 r"""add_to_derivative(StructureProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14575 return _IMP_core.StructureProvenance_add_to_derivative(self, a0, a1, a2)
14577 def set_is_optimized(self, a0, a1):
14578 r"""set_is_optimized(StructureProvenance self, FloatKey a0, bool a1)"""
14579 return _IMP_core.StructureProvenance_set_is_optimized(self, a0, a1)
14581 def get_is_optimized(self, a0):
14582 r"""get_is_optimized(StructureProvenance self, FloatKey a0) -> bool"""
14583 return _IMP_core.StructureProvenance_get_is_optimized(self, a0)
14586 r"""get_check_level(StructureProvenance self) -> IMP::CheckLevel"""
14587 return _IMP_core.StructureProvenance_get_check_level(self)
14589 def __eq__(self, *args):
14591 __eq__(StructureProvenance self, StructureProvenance o) -> bool
14592 __eq__(StructureProvenance self, Particle d) -> bool
14594 return _IMP_core.StructureProvenance___eq__(self, *args)
14596 def __ne__(self, *args):
14598 __ne__(StructureProvenance self, StructureProvenance o) -> bool
14599 __ne__(StructureProvenance self, Particle d) -> bool
14601 return _IMP_core.StructureProvenance___ne__(self, *args)
14603 def __le__(self, *args):
14605 __le__(StructureProvenance self, StructureProvenance o) -> bool
14606 __le__(StructureProvenance self, Particle d) -> bool
14608 return _IMP_core.StructureProvenance___le__(self, *args)
14610 def __lt__(self, *args):
14612 __lt__(StructureProvenance self, StructureProvenance o) -> bool
14613 __lt__(StructureProvenance self, Particle d) -> bool
14615 return _IMP_core.StructureProvenance___lt__(self, *args)
14617 def __ge__(self, *args):
14619 __ge__(StructureProvenance self, StructureProvenance o) -> bool
14620 __ge__(StructureProvenance self, Particle d) -> bool
14622 return _IMP_core.StructureProvenance___ge__(self, *args)
14624 def __gt__(self, *args):
14626 __gt__(StructureProvenance self, StructureProvenance o) -> bool
14627 __gt__(StructureProvenance self, Particle d) -> bool
14629 return _IMP_core.StructureProvenance___gt__(self, *args)
14631 def __hash__(self):
14632 r"""__hash__(StructureProvenance self) -> std::size_t"""
14633 return _IMP_core.StructureProvenance___hash__(self)
14636 r"""__str__(StructureProvenance self) -> std::string"""
14637 return _IMP_core.StructureProvenance___str__(self)
14639 def __repr__(self):
14640 r"""__repr__(StructureProvenance self) -> std::string"""
14641 return _IMP_core.StructureProvenance___repr__(self)
14643 def _get_as_binary(self):
14644 r"""_get_as_binary(StructureProvenance self) -> PyObject *"""
14645 return _IMP_core.StructureProvenance__get_as_binary(self)
14647 def _set_from_binary(self, p):
14648 r"""_set_from_binary(StructureProvenance self, PyObject * p)"""
14649 return _IMP_core.StructureProvenance__set_from_binary(self, p)
14651 def __getstate__(self):
14652 p = self._get_as_binary()
14653 if len(self.__dict__) > 1:
14654 d = self.__dict__.copy()
14659 def __setstate__(self, p):
14660 if not hasattr(self,
'this'):
14662 if isinstance(p, tuple):
14664 self.__dict__.update(d)
14665 return self._set_from_binary(p)
14667 __swig_destroy__ = _IMP_core.delete_StructureProvenance
14670 _IMP_core.StructureProvenance_swigregister(StructureProvenance)
14671 class SampleProvenance(Provenance):
14672 r"""Proxy of C++ IMP::core::SampleProvenance class."""
14674 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14676 def set_method(self, method):
14677 r"""set_method(SampleProvenance self, std::string method)"""
14678 return _IMP_core.SampleProvenance_set_method(self, method)
14680 def get_method(self):
14681 r"""get_method(SampleProvenance self) -> std::string"""
14682 return _IMP_core.SampleProvenance_get_method(self)
14684 def set_number_of_frames(self, frames):
14685 r"""set_number_of_frames(SampleProvenance self, int frames)"""
14686 return _IMP_core.SampleProvenance_set_number_of_frames(self, frames)
14689 r"""get_number_of_frames(SampleProvenance self) -> int"""
14690 return _IMP_core.SampleProvenance_get_number_of_frames(self)
14692 def set_number_of_iterations(self, iterations):
14693 r"""set_number_of_iterations(SampleProvenance self, int iterations)"""
14694 return _IMP_core.SampleProvenance_set_number_of_iterations(self, iterations)
14696 def get_number_of_iterations(self):
14697 r"""get_number_of_iterations(SampleProvenance self) -> int"""
14698 return _IMP_core.SampleProvenance_get_number_of_iterations(self)
14700 def set_number_of_replicas(self, replicas):
14701 r"""set_number_of_replicas(SampleProvenance self, int replicas)"""
14702 return _IMP_core.SampleProvenance_set_number_of_replicas(self, replicas)
14704 def get_number_of_replicas(self):
14705 r"""get_number_of_replicas(SampleProvenance self) -> int"""
14706 return _IMP_core.SampleProvenance_get_number_of_replicas(self)
14708 def __init__(self, *args):
14710 __init__(SampleProvenance self) -> SampleProvenance
14711 __init__(SampleProvenance self, Model m, ParticleIndex id) -> SampleProvenance
14712 __init__(SampleProvenance self, _ParticleAdaptor d) -> SampleProvenance
14714 _IMP_core.SampleProvenance_swiginit(self, _IMP_core.new_SampleProvenance(*args))
14717 def get_is_setup(*args):
14719 get_is_setup(Model m, ParticleIndex pi) -> bool
14720 get_is_setup(_ParticleAdaptor p) -> bool
14722 return _IMP_core.SampleProvenance_get_is_setup(*args)
14724 def show(self, *args):
14725 r"""show(SampleProvenance self, _ostream out=std::cout)"""
14726 return _IMP_core.SampleProvenance_show(self, *args)
14729 def setup_particle(*args):
14731 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
14732 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
14733 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations) -> SampleProvenance
14734 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations) -> SampleProvenance
14735 setup_particle(Model m, ParticleIndex pi, SampleProvenance o) -> SampleProvenance
14736 setup_particle(_ParticleAdaptor pa, SampleProvenance o) -> SampleProvenance
14738 return _IMP_core.SampleProvenance_setup_particle(*args)
14740 def add_attribute(self, *args):
14742 add_attribute(SampleProvenance self, FloatKey k, IMP::Float v, bool opt)
14743 add_attribute(SampleProvenance self, FloatKey a0, IMP::Float a1)
14744 add_attribute(SampleProvenance self, IntKey a0, IMP::Int a1)
14745 add_attribute(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
14746 add_attribute(SampleProvenance self, IntsKey a0, IMP::Ints a1)
14747 add_attribute(SampleProvenance self, StringKey a0, IMP::String a1)
14748 add_attribute(SampleProvenance self, ParticleIndexKey a0, Particle a1)
14749 add_attribute(SampleProvenance self, ObjectKey a0, Object a1)
14750 add_attribute(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
14751 add_attribute(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
14752 add_attribute(SampleProvenance self, SparseStringKey a0, IMP::String a1)
14753 add_attribute(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14755 return _IMP_core.SampleProvenance_add_attribute(self, *args)
14757 def get_value(self, *args):
14759 get_value(SampleProvenance self, FloatKey a0) -> IMP::Float
14760 get_value(SampleProvenance self, IntKey a0) -> IMP::Int
14761 get_value(SampleProvenance self, FloatsKey a0) -> IMP::Floats
14762 get_value(SampleProvenance self, IntsKey a0) -> IMP::Ints
14763 get_value(SampleProvenance self, StringKey a0) -> IMP::String
14764 get_value(SampleProvenance self, ParticleIndexKey a0) -> Particle
14765 get_value(SampleProvenance self, ObjectKey a0) -> Object
14766 get_value(SampleProvenance self, SparseFloatKey a0) -> IMP::Float
14767 get_value(SampleProvenance self, SparseIntKey a0) -> IMP::Int
14768 get_value(SampleProvenance self, SparseStringKey a0) -> IMP::String
14769 get_value(SampleProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14771 return _IMP_core.SampleProvenance_get_value(self, *args)
14773 def set_value(self, *args):
14775 set_value(SampleProvenance self, FloatKey a0, IMP::Float a1)
14776 set_value(SampleProvenance self, IntKey a0, IMP::Int a1)
14777 set_value(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
14778 set_value(SampleProvenance self, IntsKey a0, IMP::Ints a1)
14779 set_value(SampleProvenance self, StringKey a0, IMP::String a1)
14780 set_value(SampleProvenance self, ParticleIndexKey a0, Particle a1)
14781 set_value(SampleProvenance self, ObjectKey a0, Object a1)
14782 set_value(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
14783 set_value(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
14784 set_value(SampleProvenance self, SparseStringKey a0, IMP::String a1)
14785 set_value(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14787 return _IMP_core.SampleProvenance_set_value(self, *args)
14789 def remove_attribute(self, *args):
14791 remove_attribute(SampleProvenance self, FloatKey a0)
14792 remove_attribute(SampleProvenance self, IntKey a0)
14793 remove_attribute(SampleProvenance self, FloatsKey a0)
14794 remove_attribute(SampleProvenance self, IntsKey a0)
14795 remove_attribute(SampleProvenance self, StringKey a0)
14796 remove_attribute(SampleProvenance self, ParticleIndexKey a0)
14797 remove_attribute(SampleProvenance self, ObjectKey a0)
14798 remove_attribute(SampleProvenance self, SparseFloatKey a0)
14799 remove_attribute(SampleProvenance self, SparseIntKey a0)
14800 remove_attribute(SampleProvenance self, SparseStringKey a0)
14801 remove_attribute(SampleProvenance self, SparseParticleIndexKey a0)
14803 return _IMP_core.SampleProvenance_remove_attribute(self, *args)
14805 def has_attribute(self, *args):
14807 has_attribute(SampleProvenance self, FloatKey a0) -> bool
14808 has_attribute(SampleProvenance self, IntKey a0) -> bool
14809 has_attribute(SampleProvenance self, FloatsKey a0) -> bool
14810 has_attribute(SampleProvenance self, IntsKey a0) -> bool
14811 has_attribute(SampleProvenance self, StringKey a0) -> bool
14812 has_attribute(SampleProvenance self, ParticleIndexKey a0) -> bool
14813 has_attribute(SampleProvenance self, ObjectKey a0) -> bool
14814 has_attribute(SampleProvenance self, SparseFloatKey a0) -> bool
14815 has_attribute(SampleProvenance self, SparseIntKey a0) -> bool
14816 has_attribute(SampleProvenance self, SparseStringKey a0) -> bool
14817 has_attribute(SampleProvenance self, SparseParticleIndexKey a0) -> bool
14819 return _IMP_core.SampleProvenance_has_attribute(self, *args)
14821 def get_derivative(self, a0):
14822 r"""get_derivative(SampleProvenance self, FloatKey a0) -> double"""
14823 return _IMP_core.SampleProvenance_get_derivative(self, a0)
14825 def get_name(self):
14826 r"""get_name(SampleProvenance self) -> std::string"""
14827 return _IMP_core.SampleProvenance_get_name(self)
14829 def clear_caches(self):
14830 r"""clear_caches(SampleProvenance self)"""
14831 return _IMP_core.SampleProvenance_clear_caches(self)
14833 def set_name(self, a0):
14834 r"""set_name(SampleProvenance self, std::string a0)"""
14835 return _IMP_core.SampleProvenance_set_name(self, a0)
14838 r"""set_check_level(SampleProvenance self, IMP::CheckLevel a0)"""
14839 return _IMP_core.SampleProvenance_set_check_level(self, a0)
14841 def add_to_derivative(self, a0, a1, a2):
14842 r"""add_to_derivative(SampleProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14843 return _IMP_core.SampleProvenance_add_to_derivative(self, a0, a1, a2)
14845 def set_is_optimized(self, a0, a1):
14846 r"""set_is_optimized(SampleProvenance self, FloatKey a0, bool a1)"""
14847 return _IMP_core.SampleProvenance_set_is_optimized(self, a0, a1)
14849 def get_is_optimized(self, a0):
14850 r"""get_is_optimized(SampleProvenance self, FloatKey a0) -> bool"""
14851 return _IMP_core.SampleProvenance_get_is_optimized(self, a0)
14854 r"""get_check_level(SampleProvenance self) -> IMP::CheckLevel"""
14855 return _IMP_core.SampleProvenance_get_check_level(self)
14857 def __eq__(self, *args):
14859 __eq__(SampleProvenance self, SampleProvenance o) -> bool
14860 __eq__(SampleProvenance self, Particle d) -> bool
14862 return _IMP_core.SampleProvenance___eq__(self, *args)
14864 def __ne__(self, *args):
14866 __ne__(SampleProvenance self, SampleProvenance o) -> bool
14867 __ne__(SampleProvenance self, Particle d) -> bool
14869 return _IMP_core.SampleProvenance___ne__(self, *args)
14871 def __le__(self, *args):
14873 __le__(SampleProvenance self, SampleProvenance o) -> bool
14874 __le__(SampleProvenance self, Particle d) -> bool
14876 return _IMP_core.SampleProvenance___le__(self, *args)
14878 def __lt__(self, *args):
14880 __lt__(SampleProvenance self, SampleProvenance o) -> bool
14881 __lt__(SampleProvenance self, Particle d) -> bool
14883 return _IMP_core.SampleProvenance___lt__(self, *args)
14885 def __ge__(self, *args):
14887 __ge__(SampleProvenance self, SampleProvenance o) -> bool
14888 __ge__(SampleProvenance self, Particle d) -> bool
14890 return _IMP_core.SampleProvenance___ge__(self, *args)
14892 def __gt__(self, *args):
14894 __gt__(SampleProvenance self, SampleProvenance o) -> bool
14895 __gt__(SampleProvenance self, Particle d) -> bool
14897 return _IMP_core.SampleProvenance___gt__(self, *args)
14899 def __hash__(self):
14900 r"""__hash__(SampleProvenance self) -> std::size_t"""
14901 return _IMP_core.SampleProvenance___hash__(self)
14904 r"""__str__(SampleProvenance self) -> std::string"""
14905 return _IMP_core.SampleProvenance___str__(self)
14907 def __repr__(self):
14908 r"""__repr__(SampleProvenance self) -> std::string"""
14909 return _IMP_core.SampleProvenance___repr__(self)
14911 def _get_as_binary(self):
14912 r"""_get_as_binary(SampleProvenance self) -> PyObject *"""
14913 return _IMP_core.SampleProvenance__get_as_binary(self)
14915 def _set_from_binary(self, p):
14916 r"""_set_from_binary(SampleProvenance self, PyObject * p)"""
14917 return _IMP_core.SampleProvenance__set_from_binary(self, p)
14919 def __getstate__(self):
14920 p = self._get_as_binary()
14921 if len(self.__dict__) > 1:
14922 d = self.__dict__.copy()
14927 def __setstate__(self, p):
14928 if not hasattr(self,
'this'):
14930 if isinstance(p, tuple):
14932 self.__dict__.update(d)
14933 return self._set_from_binary(p)
14935 __swig_destroy__ = _IMP_core.delete_SampleProvenance
14938 _IMP_core.SampleProvenance_swigregister(SampleProvenance)
14939 class CombineProvenance(Provenance):
14940 r"""Proxy of C++ IMP::core::CombineProvenance class."""
14942 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14944 def set_number_of_frames(self, frames):
14945 r"""set_number_of_frames(CombineProvenance self, int frames)"""
14946 return _IMP_core.CombineProvenance_set_number_of_frames(self, frames)
14949 r"""get_number_of_frames(CombineProvenance self) -> int"""
14950 return _IMP_core.CombineProvenance_get_number_of_frames(self)
14952 def set_number_of_runs(self, runs):
14953 r"""set_number_of_runs(CombineProvenance self, int runs)"""
14954 return _IMP_core.CombineProvenance_set_number_of_runs(self, runs)
14956 def get_number_of_runs(self):
14957 r"""get_number_of_runs(CombineProvenance self) -> int"""
14958 return _IMP_core.CombineProvenance_get_number_of_runs(self)
14960 def __init__(self, *args):
14962 __init__(CombineProvenance self) -> CombineProvenance
14963 __init__(CombineProvenance self, Model m, ParticleIndex id) -> CombineProvenance
14964 __init__(CombineProvenance self, _ParticleAdaptor d) -> CombineProvenance
14966 _IMP_core.CombineProvenance_swiginit(self, _IMP_core.new_CombineProvenance(*args))
14969 def get_is_setup(*args):
14971 get_is_setup(Model m, ParticleIndex pi) -> bool
14972 get_is_setup(_ParticleAdaptor p) -> bool
14974 return _IMP_core.CombineProvenance_get_is_setup(*args)
14976 def show(self, *args):
14977 r"""show(CombineProvenance self, _ostream out=std::cout)"""
14978 return _IMP_core.CombineProvenance_show(self, *args)
14981 def setup_particle(*args):
14983 setup_particle(Model m, ParticleIndex pi, int runs, int frames) -> CombineProvenance
14984 setup_particle(_ParticleAdaptor pa, int runs, int frames) -> CombineProvenance
14985 setup_particle(Model m, ParticleIndex pi, CombineProvenance o) -> CombineProvenance
14986 setup_particle(_ParticleAdaptor pa, CombineProvenance o) -> CombineProvenance
14988 return _IMP_core.CombineProvenance_setup_particle(*args)
14990 def add_attribute(self, *args):
14992 add_attribute(CombineProvenance self, FloatKey k, IMP::Float v, bool opt)
14993 add_attribute(CombineProvenance self, FloatKey a0, IMP::Float a1)
14994 add_attribute(CombineProvenance self, IntKey a0, IMP::Int a1)
14995 add_attribute(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
14996 add_attribute(CombineProvenance self, IntsKey a0, IMP::Ints a1)
14997 add_attribute(CombineProvenance self, StringKey a0, IMP::String a1)
14998 add_attribute(CombineProvenance self, ParticleIndexKey a0, Particle a1)
14999 add_attribute(CombineProvenance self, ObjectKey a0, Object a1)
15000 add_attribute(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
15001 add_attribute(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
15002 add_attribute(CombineProvenance self, SparseStringKey a0, IMP::String a1)
15003 add_attribute(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15005 return _IMP_core.CombineProvenance_add_attribute(self, *args)
15007 def get_value(self, *args):
15009 get_value(CombineProvenance self, FloatKey a0) -> IMP::Float
15010 get_value(CombineProvenance self, IntKey a0) -> IMP::Int
15011 get_value(CombineProvenance self, FloatsKey a0) -> IMP::Floats
15012 get_value(CombineProvenance self, IntsKey a0) -> IMP::Ints
15013 get_value(CombineProvenance self, StringKey a0) -> IMP::String
15014 get_value(CombineProvenance self, ParticleIndexKey a0) -> Particle
15015 get_value(CombineProvenance self, ObjectKey a0) -> Object
15016 get_value(CombineProvenance self, SparseFloatKey a0) -> IMP::Float
15017 get_value(CombineProvenance self, SparseIntKey a0) -> IMP::Int
15018 get_value(CombineProvenance self, SparseStringKey a0) -> IMP::String
15019 get_value(CombineProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15021 return _IMP_core.CombineProvenance_get_value(self, *args)
15023 def set_value(self, *args):
15025 set_value(CombineProvenance self, FloatKey a0, IMP::Float a1)
15026 set_value(CombineProvenance self, IntKey a0, IMP::Int a1)
15027 set_value(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
15028 set_value(CombineProvenance self, IntsKey a0, IMP::Ints a1)
15029 set_value(CombineProvenance self, StringKey a0, IMP::String a1)
15030 set_value(CombineProvenance self, ParticleIndexKey a0, Particle a1)
15031 set_value(CombineProvenance self, ObjectKey a0, Object a1)
15032 set_value(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
15033 set_value(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
15034 set_value(CombineProvenance self, SparseStringKey a0, IMP::String a1)
15035 set_value(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15037 return _IMP_core.CombineProvenance_set_value(self, *args)
15039 def remove_attribute(self, *args):
15041 remove_attribute(CombineProvenance self, FloatKey a0)
15042 remove_attribute(CombineProvenance self, IntKey a0)
15043 remove_attribute(CombineProvenance self, FloatsKey a0)
15044 remove_attribute(CombineProvenance self, IntsKey a0)
15045 remove_attribute(CombineProvenance self, StringKey a0)
15046 remove_attribute(CombineProvenance self, ParticleIndexKey a0)
15047 remove_attribute(CombineProvenance self, ObjectKey a0)
15048 remove_attribute(CombineProvenance self, SparseFloatKey a0)
15049 remove_attribute(CombineProvenance self, SparseIntKey a0)
15050 remove_attribute(CombineProvenance self, SparseStringKey a0)
15051 remove_attribute(CombineProvenance self, SparseParticleIndexKey a0)
15053 return _IMP_core.CombineProvenance_remove_attribute(self, *args)
15055 def has_attribute(self, *args):
15057 has_attribute(CombineProvenance self, FloatKey a0) -> bool
15058 has_attribute(CombineProvenance self, IntKey a0) -> bool
15059 has_attribute(CombineProvenance self, FloatsKey a0) -> bool
15060 has_attribute(CombineProvenance self, IntsKey a0) -> bool
15061 has_attribute(CombineProvenance self, StringKey a0) -> bool
15062 has_attribute(CombineProvenance self, ParticleIndexKey a0) -> bool
15063 has_attribute(CombineProvenance self, ObjectKey a0) -> bool
15064 has_attribute(CombineProvenance self, SparseFloatKey a0) -> bool
15065 has_attribute(CombineProvenance self, SparseIntKey a0) -> bool
15066 has_attribute(CombineProvenance self, SparseStringKey a0) -> bool
15067 has_attribute(CombineProvenance self, SparseParticleIndexKey a0) -> bool
15069 return _IMP_core.CombineProvenance_has_attribute(self, *args)
15071 def get_derivative(self, a0):
15072 r"""get_derivative(CombineProvenance self, FloatKey a0) -> double"""
15073 return _IMP_core.CombineProvenance_get_derivative(self, a0)
15075 def get_name(self):
15076 r"""get_name(CombineProvenance self) -> std::string"""
15077 return _IMP_core.CombineProvenance_get_name(self)
15079 def clear_caches(self):
15080 r"""clear_caches(CombineProvenance self)"""
15081 return _IMP_core.CombineProvenance_clear_caches(self)
15083 def set_name(self, a0):
15084 r"""set_name(CombineProvenance self, std::string a0)"""
15085 return _IMP_core.CombineProvenance_set_name(self, a0)
15088 r"""set_check_level(CombineProvenance self, IMP::CheckLevel a0)"""
15089 return _IMP_core.CombineProvenance_set_check_level(self, a0)
15091 def add_to_derivative(self, a0, a1, a2):
15092 r"""add_to_derivative(CombineProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15093 return _IMP_core.CombineProvenance_add_to_derivative(self, a0, a1, a2)
15095 def set_is_optimized(self, a0, a1):
15096 r"""set_is_optimized(CombineProvenance self, FloatKey a0, bool a1)"""
15097 return _IMP_core.CombineProvenance_set_is_optimized(self, a0, a1)
15099 def get_is_optimized(self, a0):
15100 r"""get_is_optimized(CombineProvenance self, FloatKey a0) -> bool"""
15101 return _IMP_core.CombineProvenance_get_is_optimized(self, a0)
15104 r"""get_check_level(CombineProvenance self) -> IMP::CheckLevel"""
15105 return _IMP_core.CombineProvenance_get_check_level(self)
15107 def __eq__(self, *args):
15109 __eq__(CombineProvenance self, CombineProvenance o) -> bool
15110 __eq__(CombineProvenance self, Particle d) -> bool
15112 return _IMP_core.CombineProvenance___eq__(self, *args)
15114 def __ne__(self, *args):
15116 __ne__(CombineProvenance self, CombineProvenance o) -> bool
15117 __ne__(CombineProvenance self, Particle d) -> bool
15119 return _IMP_core.CombineProvenance___ne__(self, *args)
15121 def __le__(self, *args):
15123 __le__(CombineProvenance self, CombineProvenance o) -> bool
15124 __le__(CombineProvenance self, Particle d) -> bool
15126 return _IMP_core.CombineProvenance___le__(self, *args)
15128 def __lt__(self, *args):
15130 __lt__(CombineProvenance self, CombineProvenance o) -> bool
15131 __lt__(CombineProvenance self, Particle d) -> bool
15133 return _IMP_core.CombineProvenance___lt__(self, *args)
15135 def __ge__(self, *args):
15137 __ge__(CombineProvenance self, CombineProvenance o) -> bool
15138 __ge__(CombineProvenance self, Particle d) -> bool
15140 return _IMP_core.CombineProvenance___ge__(self, *args)
15142 def __gt__(self, *args):
15144 __gt__(CombineProvenance self, CombineProvenance o) -> bool
15145 __gt__(CombineProvenance self, Particle d) -> bool
15147 return _IMP_core.CombineProvenance___gt__(self, *args)
15149 def __hash__(self):
15150 r"""__hash__(CombineProvenance self) -> std::size_t"""
15151 return _IMP_core.CombineProvenance___hash__(self)
15154 r"""__str__(CombineProvenance self) -> std::string"""
15155 return _IMP_core.CombineProvenance___str__(self)
15157 def __repr__(self):
15158 r"""__repr__(CombineProvenance self) -> std::string"""
15159 return _IMP_core.CombineProvenance___repr__(self)
15161 def _get_as_binary(self):
15162 r"""_get_as_binary(CombineProvenance self) -> PyObject *"""
15163 return _IMP_core.CombineProvenance__get_as_binary(self)
15165 def _set_from_binary(self, p):
15166 r"""_set_from_binary(CombineProvenance self, PyObject * p)"""
15167 return _IMP_core.CombineProvenance__set_from_binary(self, p)
15169 def __getstate__(self):
15170 p = self._get_as_binary()
15171 if len(self.__dict__) > 1:
15172 d = self.__dict__.copy()
15177 def __setstate__(self, p):
15178 if not hasattr(self,
'this'):
15180 if isinstance(p, tuple):
15182 self.__dict__.update(d)
15183 return self._set_from_binary(p)
15185 __swig_destroy__ = _IMP_core.delete_CombineProvenance
15188 _IMP_core.CombineProvenance_swigregister(CombineProvenance)
15189 class FilterProvenance(Provenance):
15190 r"""Proxy of C++ IMP::core::FilterProvenance class."""
15192 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15194 def set_method(self, method):
15195 r"""set_method(FilterProvenance self, std::string method)"""
15196 return _IMP_core.FilterProvenance_set_method(self, method)
15198 def get_method(self):
15199 r"""get_method(FilterProvenance self) -> std::string"""
15200 return _IMP_core.FilterProvenance_get_method(self)
15202 def set_number_of_frames(self, frames):
15203 r"""set_number_of_frames(FilterProvenance self, int frames)"""
15204 return _IMP_core.FilterProvenance_set_number_of_frames(self, frames)
15207 r"""get_number_of_frames(FilterProvenance self) -> int"""
15208 return _IMP_core.FilterProvenance_get_number_of_frames(self)
15210 def set_threshold(self, threshold):
15211 r"""set_threshold(FilterProvenance self, double threshold)"""
15212 return _IMP_core.FilterProvenance_set_threshold(self, threshold)
15214 def get_threshold(self):
15215 r"""get_threshold(FilterProvenance self) -> double"""
15216 return _IMP_core.FilterProvenance_get_threshold(self)
15218 def __init__(self, *args):
15220 __init__(FilterProvenance self) -> FilterProvenance
15221 __init__(FilterProvenance self, Model m, ParticleIndex id) -> FilterProvenance
15222 __init__(FilterProvenance self, _ParticleAdaptor d) -> FilterProvenance
15224 _IMP_core.FilterProvenance_swiginit(self, _IMP_core.new_FilterProvenance(*args))
15227 def get_is_setup(*args):
15229 get_is_setup(Model m, ParticleIndex pi) -> bool
15230 get_is_setup(_ParticleAdaptor p) -> bool
15232 return _IMP_core.FilterProvenance_get_is_setup(*args)
15234 def show(self, *args):
15235 r"""show(FilterProvenance self, _ostream out=std::cout)"""
15236 return _IMP_core.FilterProvenance_show(self, *args)
15239 def setup_particle(*args):
15241 setup_particle(Model m, ParticleIndex pi, std::string method, double threshold, int frames) -> FilterProvenance
15242 setup_particle(_ParticleAdaptor pa, std::string method, double threshold, int frames) -> FilterProvenance
15243 setup_particle(Model m, ParticleIndex pi, FilterProvenance o) -> FilterProvenance
15244 setup_particle(_ParticleAdaptor pa, FilterProvenance o) -> FilterProvenance
15246 return _IMP_core.FilterProvenance_setup_particle(*args)
15248 def add_attribute(self, *args):
15250 add_attribute(FilterProvenance self, FloatKey k, IMP::Float v, bool opt)
15251 add_attribute(FilterProvenance self, FloatKey a0, IMP::Float a1)
15252 add_attribute(FilterProvenance self, IntKey a0, IMP::Int a1)
15253 add_attribute(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
15254 add_attribute(FilterProvenance self, IntsKey a0, IMP::Ints a1)
15255 add_attribute(FilterProvenance self, StringKey a0, IMP::String a1)
15256 add_attribute(FilterProvenance self, ParticleIndexKey a0, Particle a1)
15257 add_attribute(FilterProvenance self, ObjectKey a0, Object a1)
15258 add_attribute(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
15259 add_attribute(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
15260 add_attribute(FilterProvenance self, SparseStringKey a0, IMP::String a1)
15261 add_attribute(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15263 return _IMP_core.FilterProvenance_add_attribute(self, *args)
15265 def get_value(self, *args):
15267 get_value(FilterProvenance self, FloatKey a0) -> IMP::Float
15268 get_value(FilterProvenance self, IntKey a0) -> IMP::Int
15269 get_value(FilterProvenance self, FloatsKey a0) -> IMP::Floats
15270 get_value(FilterProvenance self, IntsKey a0) -> IMP::Ints
15271 get_value(FilterProvenance self, StringKey a0) -> IMP::String
15272 get_value(FilterProvenance self, ParticleIndexKey a0) -> Particle
15273 get_value(FilterProvenance self, ObjectKey a0) -> Object
15274 get_value(FilterProvenance self, SparseFloatKey a0) -> IMP::Float
15275 get_value(FilterProvenance self, SparseIntKey a0) -> IMP::Int
15276 get_value(FilterProvenance self, SparseStringKey a0) -> IMP::String
15277 get_value(FilterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15279 return _IMP_core.FilterProvenance_get_value(self, *args)
15281 def set_value(self, *args):
15283 set_value(FilterProvenance self, FloatKey a0, IMP::Float a1)
15284 set_value(FilterProvenance self, IntKey a0, IMP::Int a1)
15285 set_value(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
15286 set_value(FilterProvenance self, IntsKey a0, IMP::Ints a1)
15287 set_value(FilterProvenance self, StringKey a0, IMP::String a1)
15288 set_value(FilterProvenance self, ParticleIndexKey a0, Particle a1)
15289 set_value(FilterProvenance self, ObjectKey a0, Object a1)
15290 set_value(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
15291 set_value(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
15292 set_value(FilterProvenance self, SparseStringKey a0, IMP::String a1)
15293 set_value(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15295 return _IMP_core.FilterProvenance_set_value(self, *args)
15297 def remove_attribute(self, *args):
15299 remove_attribute(FilterProvenance self, FloatKey a0)
15300 remove_attribute(FilterProvenance self, IntKey a0)
15301 remove_attribute(FilterProvenance self, FloatsKey a0)
15302 remove_attribute(FilterProvenance self, IntsKey a0)
15303 remove_attribute(FilterProvenance self, StringKey a0)
15304 remove_attribute(FilterProvenance self, ParticleIndexKey a0)
15305 remove_attribute(FilterProvenance self, ObjectKey a0)
15306 remove_attribute(FilterProvenance self, SparseFloatKey a0)
15307 remove_attribute(FilterProvenance self, SparseIntKey a0)
15308 remove_attribute(FilterProvenance self, SparseStringKey a0)
15309 remove_attribute(FilterProvenance self, SparseParticleIndexKey a0)
15311 return _IMP_core.FilterProvenance_remove_attribute(self, *args)
15313 def has_attribute(self, *args):
15315 has_attribute(FilterProvenance self, FloatKey a0) -> bool
15316 has_attribute(FilterProvenance self, IntKey a0) -> bool
15317 has_attribute(FilterProvenance self, FloatsKey a0) -> bool
15318 has_attribute(FilterProvenance self, IntsKey a0) -> bool
15319 has_attribute(FilterProvenance self, StringKey a0) -> bool
15320 has_attribute(FilterProvenance self, ParticleIndexKey a0) -> bool
15321 has_attribute(FilterProvenance self, ObjectKey a0) -> bool
15322 has_attribute(FilterProvenance self, SparseFloatKey a0) -> bool
15323 has_attribute(FilterProvenance self, SparseIntKey a0) -> bool
15324 has_attribute(FilterProvenance self, SparseStringKey a0) -> bool
15325 has_attribute(FilterProvenance self, SparseParticleIndexKey a0) -> bool
15327 return _IMP_core.FilterProvenance_has_attribute(self, *args)
15329 def get_derivative(self, a0):
15330 r"""get_derivative(FilterProvenance self, FloatKey a0) -> double"""
15331 return _IMP_core.FilterProvenance_get_derivative(self, a0)
15333 def get_name(self):
15334 r"""get_name(FilterProvenance self) -> std::string"""
15335 return _IMP_core.FilterProvenance_get_name(self)
15337 def clear_caches(self):
15338 r"""clear_caches(FilterProvenance self)"""
15339 return _IMP_core.FilterProvenance_clear_caches(self)
15341 def set_name(self, a0):
15342 r"""set_name(FilterProvenance self, std::string a0)"""
15343 return _IMP_core.FilterProvenance_set_name(self, a0)
15346 r"""set_check_level(FilterProvenance self, IMP::CheckLevel a0)"""
15347 return _IMP_core.FilterProvenance_set_check_level(self, a0)
15349 def add_to_derivative(self, a0, a1, a2):
15350 r"""add_to_derivative(FilterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15351 return _IMP_core.FilterProvenance_add_to_derivative(self, a0, a1, a2)
15353 def set_is_optimized(self, a0, a1):
15354 r"""set_is_optimized(FilterProvenance self, FloatKey a0, bool a1)"""
15355 return _IMP_core.FilterProvenance_set_is_optimized(self, a0, a1)
15357 def get_is_optimized(self, a0):
15358 r"""get_is_optimized(FilterProvenance self, FloatKey a0) -> bool"""
15359 return _IMP_core.FilterProvenance_get_is_optimized(self, a0)
15362 r"""get_check_level(FilterProvenance self) -> IMP::CheckLevel"""
15363 return _IMP_core.FilterProvenance_get_check_level(self)
15365 def __eq__(self, *args):
15367 __eq__(FilterProvenance self, FilterProvenance o) -> bool
15368 __eq__(FilterProvenance self, Particle d) -> bool
15370 return _IMP_core.FilterProvenance___eq__(self, *args)
15372 def __ne__(self, *args):
15374 __ne__(FilterProvenance self, FilterProvenance o) -> bool
15375 __ne__(FilterProvenance self, Particle d) -> bool
15377 return _IMP_core.FilterProvenance___ne__(self, *args)
15379 def __le__(self, *args):
15381 __le__(FilterProvenance self, FilterProvenance o) -> bool
15382 __le__(FilterProvenance self, Particle d) -> bool
15384 return _IMP_core.FilterProvenance___le__(self, *args)
15386 def __lt__(self, *args):
15388 __lt__(FilterProvenance self, FilterProvenance o) -> bool
15389 __lt__(FilterProvenance self, Particle d) -> bool
15391 return _IMP_core.FilterProvenance___lt__(self, *args)
15393 def __ge__(self, *args):
15395 __ge__(FilterProvenance self, FilterProvenance o) -> bool
15396 __ge__(FilterProvenance self, Particle d) -> bool
15398 return _IMP_core.FilterProvenance___ge__(self, *args)
15400 def __gt__(self, *args):
15402 __gt__(FilterProvenance self, FilterProvenance o) -> bool
15403 __gt__(FilterProvenance self, Particle d) -> bool
15405 return _IMP_core.FilterProvenance___gt__(self, *args)
15407 def __hash__(self):
15408 r"""__hash__(FilterProvenance self) -> std::size_t"""
15409 return _IMP_core.FilterProvenance___hash__(self)
15412 r"""__str__(FilterProvenance self) -> std::string"""
15413 return _IMP_core.FilterProvenance___str__(self)
15415 def __repr__(self):
15416 r"""__repr__(FilterProvenance self) -> std::string"""
15417 return _IMP_core.FilterProvenance___repr__(self)
15419 def _get_as_binary(self):
15420 r"""_get_as_binary(FilterProvenance self) -> PyObject *"""
15421 return _IMP_core.FilterProvenance__get_as_binary(self)
15423 def _set_from_binary(self, p):
15424 r"""_set_from_binary(FilterProvenance self, PyObject * p)"""
15425 return _IMP_core.FilterProvenance__set_from_binary(self, p)
15427 def __getstate__(self):
15428 p = self._get_as_binary()
15429 if len(self.__dict__) > 1:
15430 d = self.__dict__.copy()
15435 def __setstate__(self, p):
15436 if not hasattr(self,
'this'):
15438 if isinstance(p, tuple):
15440 self.__dict__.update(d)
15441 return self._set_from_binary(p)
15443 __swig_destroy__ = _IMP_core.delete_FilterProvenance
15446 _IMP_core.FilterProvenance_swigregister(FilterProvenance)
15447 class ClusterProvenance(Provenance):
15448 r"""Proxy of C++ IMP::core::ClusterProvenance class."""
15450 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15452 def set_number_of_members(self, members):
15453 r"""set_number_of_members(ClusterProvenance self, int members)"""
15454 return _IMP_core.ClusterProvenance_set_number_of_members(self, members)
15456 def get_number_of_members(self):
15457 r"""get_number_of_members(ClusterProvenance self) -> int"""
15458 return _IMP_core.ClusterProvenance_get_number_of_members(self)
15460 def set_precision(self, precision):
15461 r"""set_precision(ClusterProvenance self, double precision)"""
15462 return _IMP_core.ClusterProvenance_set_precision(self, precision)
15464 def get_precision(self):
15465 r"""get_precision(ClusterProvenance self) -> double"""
15466 return _IMP_core.ClusterProvenance_get_precision(self)
15468 def set_density(self, density):
15469 r"""set_density(ClusterProvenance self, std::string density)"""
15470 return _IMP_core.ClusterProvenance_set_density(self, density)
15472 def get_density(self):
15473 r"""get_density(ClusterProvenance self) -> std::string"""
15474 return _IMP_core.ClusterProvenance_get_density(self)
15476 def __init__(self, *args):
15478 __init__(ClusterProvenance self) -> ClusterProvenance
15479 __init__(ClusterProvenance self, Model m, ParticleIndex id) -> ClusterProvenance
15480 __init__(ClusterProvenance self, _ParticleAdaptor d) -> ClusterProvenance
15482 _IMP_core.ClusterProvenance_swiginit(self, _IMP_core.new_ClusterProvenance(*args))
15485 def get_is_setup(*args):
15487 get_is_setup(Model m, ParticleIndex pi) -> bool
15488 get_is_setup(_ParticleAdaptor p) -> bool
15490 return _IMP_core.ClusterProvenance_get_is_setup(*args)
15492 def show(self, *args):
15493 r"""show(ClusterProvenance self, _ostream out=std::cout)"""
15494 return _IMP_core.ClusterProvenance_show(self, *args)
15497 def setup_particle(*args):
15499 setup_particle(Model m, ParticleIndex pi, int members) -> ClusterProvenance
15500 setup_particle(_ParticleAdaptor pa, int members) -> ClusterProvenance
15501 setup_particle(Model m, ParticleIndex pi, int members, double precision) -> ClusterProvenance
15502 setup_particle(_ParticleAdaptor pa, int members, double precision) -> ClusterProvenance
15503 setup_particle(Model m, ParticleIndex pi, int members, double precision, std::string density) -> ClusterProvenance
15504 setup_particle(_ParticleAdaptor pa, int members, double precision, std::string density) -> ClusterProvenance
15505 setup_particle(Model m, ParticleIndex pi, ClusterProvenance o) -> ClusterProvenance
15506 setup_particle(_ParticleAdaptor pa, ClusterProvenance o) -> ClusterProvenance
15508 return _IMP_core.ClusterProvenance_setup_particle(*args)
15510 def add_attribute(self, *args):
15512 add_attribute(ClusterProvenance self, FloatKey k, IMP::Float v, bool opt)
15513 add_attribute(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15514 add_attribute(ClusterProvenance self, IntKey a0, IMP::Int a1)
15515 add_attribute(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15516 add_attribute(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15517 add_attribute(ClusterProvenance self, StringKey a0, IMP::String a1)
15518 add_attribute(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15519 add_attribute(ClusterProvenance self, ObjectKey a0, Object a1)
15520 add_attribute(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15521 add_attribute(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15522 add_attribute(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15523 add_attribute(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15525 return _IMP_core.ClusterProvenance_add_attribute(self, *args)
15527 def get_value(self, *args):
15529 get_value(ClusterProvenance self, FloatKey a0) -> IMP::Float
15530 get_value(ClusterProvenance self, IntKey a0) -> IMP::Int
15531 get_value(ClusterProvenance self, FloatsKey a0) -> IMP::Floats
15532 get_value(ClusterProvenance self, IntsKey a0) -> IMP::Ints
15533 get_value(ClusterProvenance self, StringKey a0) -> IMP::String
15534 get_value(ClusterProvenance self, ParticleIndexKey a0) -> Particle
15535 get_value(ClusterProvenance self, ObjectKey a0) -> Object
15536 get_value(ClusterProvenance self, SparseFloatKey a0) -> IMP::Float
15537 get_value(ClusterProvenance self, SparseIntKey a0) -> IMP::Int
15538 get_value(ClusterProvenance self, SparseStringKey a0) -> IMP::String
15539 get_value(ClusterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15541 return _IMP_core.ClusterProvenance_get_value(self, *args)
15543 def set_value(self, *args):
15545 set_value(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15546 set_value(ClusterProvenance self, IntKey a0, IMP::Int a1)
15547 set_value(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15548 set_value(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15549 set_value(ClusterProvenance self, StringKey a0, IMP::String a1)
15550 set_value(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15551 set_value(ClusterProvenance self, ObjectKey a0, Object a1)
15552 set_value(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15553 set_value(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15554 set_value(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15555 set_value(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15557 return _IMP_core.ClusterProvenance_set_value(self, *args)
15559 def remove_attribute(self, *args):
15561 remove_attribute(ClusterProvenance self, FloatKey a0)
15562 remove_attribute(ClusterProvenance self, IntKey a0)
15563 remove_attribute(ClusterProvenance self, FloatsKey a0)
15564 remove_attribute(ClusterProvenance self, IntsKey a0)
15565 remove_attribute(ClusterProvenance self, StringKey a0)
15566 remove_attribute(ClusterProvenance self, ParticleIndexKey a0)
15567 remove_attribute(ClusterProvenance self, ObjectKey a0)
15568 remove_attribute(ClusterProvenance self, SparseFloatKey a0)
15569 remove_attribute(ClusterProvenance self, SparseIntKey a0)
15570 remove_attribute(ClusterProvenance self, SparseStringKey a0)
15571 remove_attribute(ClusterProvenance self, SparseParticleIndexKey a0)
15573 return _IMP_core.ClusterProvenance_remove_attribute(self, *args)
15575 def has_attribute(self, *args):
15577 has_attribute(ClusterProvenance self, FloatKey a0) -> bool
15578 has_attribute(ClusterProvenance self, IntKey a0) -> bool
15579 has_attribute(ClusterProvenance self, FloatsKey a0) -> bool
15580 has_attribute(ClusterProvenance self, IntsKey a0) -> bool
15581 has_attribute(ClusterProvenance self, StringKey a0) -> bool
15582 has_attribute(ClusterProvenance self, ParticleIndexKey a0) -> bool
15583 has_attribute(ClusterProvenance self, ObjectKey a0) -> bool
15584 has_attribute(ClusterProvenance self, SparseFloatKey a0) -> bool
15585 has_attribute(ClusterProvenance self, SparseIntKey a0) -> bool
15586 has_attribute(ClusterProvenance self, SparseStringKey a0) -> bool
15587 has_attribute(ClusterProvenance self, SparseParticleIndexKey a0) -> bool
15589 return _IMP_core.ClusterProvenance_has_attribute(self, *args)
15591 def get_derivative(self, a0):
15592 r"""get_derivative(ClusterProvenance self, FloatKey a0) -> double"""
15593 return _IMP_core.ClusterProvenance_get_derivative(self, a0)
15595 def get_name(self):
15596 r"""get_name(ClusterProvenance self) -> std::string"""
15597 return _IMP_core.ClusterProvenance_get_name(self)
15599 def clear_caches(self):
15600 r"""clear_caches(ClusterProvenance self)"""
15601 return _IMP_core.ClusterProvenance_clear_caches(self)
15603 def set_name(self, a0):
15604 r"""set_name(ClusterProvenance self, std::string a0)"""
15605 return _IMP_core.ClusterProvenance_set_name(self, a0)
15608 r"""set_check_level(ClusterProvenance self, IMP::CheckLevel a0)"""
15609 return _IMP_core.ClusterProvenance_set_check_level(self, a0)
15611 def add_to_derivative(self, a0, a1, a2):
15612 r"""add_to_derivative(ClusterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15613 return _IMP_core.ClusterProvenance_add_to_derivative(self, a0, a1, a2)
15615 def set_is_optimized(self, a0, a1):
15616 r"""set_is_optimized(ClusterProvenance self, FloatKey a0, bool a1)"""
15617 return _IMP_core.ClusterProvenance_set_is_optimized(self, a0, a1)
15619 def get_is_optimized(self, a0):
15620 r"""get_is_optimized(ClusterProvenance self, FloatKey a0) -> bool"""
15621 return _IMP_core.ClusterProvenance_get_is_optimized(self, a0)
15624 r"""get_check_level(ClusterProvenance self) -> IMP::CheckLevel"""
15625 return _IMP_core.ClusterProvenance_get_check_level(self)
15627 def __eq__(self, *args):
15629 __eq__(ClusterProvenance self, ClusterProvenance o) -> bool
15630 __eq__(ClusterProvenance self, Particle d) -> bool
15632 return _IMP_core.ClusterProvenance___eq__(self, *args)
15634 def __ne__(self, *args):
15636 __ne__(ClusterProvenance self, ClusterProvenance o) -> bool
15637 __ne__(ClusterProvenance self, Particle d) -> bool
15639 return _IMP_core.ClusterProvenance___ne__(self, *args)
15641 def __le__(self, *args):
15643 __le__(ClusterProvenance self, ClusterProvenance o) -> bool
15644 __le__(ClusterProvenance self, Particle d) -> bool
15646 return _IMP_core.ClusterProvenance___le__(self, *args)
15648 def __lt__(self, *args):
15650 __lt__(ClusterProvenance self, ClusterProvenance o) -> bool
15651 __lt__(ClusterProvenance self, Particle d) -> bool
15653 return _IMP_core.ClusterProvenance___lt__(self, *args)
15655 def __ge__(self, *args):
15657 __ge__(ClusterProvenance self, ClusterProvenance o) -> bool
15658 __ge__(ClusterProvenance self, Particle d) -> bool
15660 return _IMP_core.ClusterProvenance___ge__(self, *args)
15662 def __gt__(self, *args):
15664 __gt__(ClusterProvenance self, ClusterProvenance o) -> bool
15665 __gt__(ClusterProvenance self, Particle d) -> bool
15667 return _IMP_core.ClusterProvenance___gt__(self, *args)
15669 def __hash__(self):
15670 r"""__hash__(ClusterProvenance self) -> std::size_t"""
15671 return _IMP_core.ClusterProvenance___hash__(self)
15674 r"""__str__(ClusterProvenance self) -> std::string"""
15675 return _IMP_core.ClusterProvenance___str__(self)
15677 def __repr__(self):
15678 r"""__repr__(ClusterProvenance self) -> std::string"""
15679 return _IMP_core.ClusterProvenance___repr__(self)
15681 def _get_as_binary(self):
15682 r"""_get_as_binary(ClusterProvenance self) -> PyObject *"""
15683 return _IMP_core.ClusterProvenance__get_as_binary(self)
15685 def _set_from_binary(self, p):
15686 r"""_set_from_binary(ClusterProvenance self, PyObject * p)"""
15687 return _IMP_core.ClusterProvenance__set_from_binary(self, p)
15689 def __getstate__(self):
15690 p = self._get_as_binary()
15691 if len(self.__dict__) > 1:
15692 d = self.__dict__.copy()
15697 def __setstate__(self, p):
15698 if not hasattr(self,
'this'):
15700 if isinstance(p, tuple):
15702 self.__dict__.update(d)
15703 return self._set_from_binary(p)
15705 __swig_destroy__ = _IMP_core.delete_ClusterProvenance
15708 _IMP_core.ClusterProvenance_swigregister(ClusterProvenance)
15709 class ScriptProvenance(Provenance):
15710 r"""Proxy of C++ IMP::core::ScriptProvenance class."""
15712 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15714 def set_filename(self, filename):
15715 r"""set_filename(ScriptProvenance self, std::string filename)"""
15716 return _IMP_core.ScriptProvenance_set_filename(self, filename)
15718 def get_filename(self):
15719 r"""get_filename(ScriptProvenance self) -> std::string"""
15720 return _IMP_core.ScriptProvenance_get_filename(self)
15722 def __init__(self, *args):
15724 __init__(ScriptProvenance self) -> ScriptProvenance
15725 __init__(ScriptProvenance self, Model m, ParticleIndex id) -> ScriptProvenance
15726 __init__(ScriptProvenance self, _ParticleAdaptor d) -> ScriptProvenance
15728 _IMP_core.ScriptProvenance_swiginit(self, _IMP_core.new_ScriptProvenance(*args))
15731 def get_is_setup(*args):
15733 get_is_setup(Model m, ParticleIndex pi) -> bool
15734 get_is_setup(_ParticleAdaptor p) -> bool
15736 return _IMP_core.ScriptProvenance_get_is_setup(*args)
15738 def show(self, *args):
15739 r"""show(ScriptProvenance self, _ostream out=std::cout)"""
15740 return _IMP_core.ScriptProvenance_show(self, *args)
15743 def setup_particle(*args):
15745 setup_particle(Model m, ParticleIndex pi, std::string filename) -> ScriptProvenance
15746 setup_particle(_ParticleAdaptor pa, std::string filename) -> ScriptProvenance
15747 setup_particle(Model m, ParticleIndex pi, ScriptProvenance o) -> ScriptProvenance
15748 setup_particle(_ParticleAdaptor pa, ScriptProvenance o) -> ScriptProvenance
15750 return _IMP_core.ScriptProvenance_setup_particle(*args)
15752 def add_attribute(self, *args):
15754 add_attribute(ScriptProvenance self, FloatKey k, IMP::Float v, bool opt)
15755 add_attribute(ScriptProvenance self, FloatKey a0, IMP::Float a1)
15756 add_attribute(ScriptProvenance self, IntKey a0, IMP::Int a1)
15757 add_attribute(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
15758 add_attribute(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
15759 add_attribute(ScriptProvenance self, StringKey a0, IMP::String a1)
15760 add_attribute(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
15761 add_attribute(ScriptProvenance self, ObjectKey a0, Object a1)
15762 add_attribute(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
15763 add_attribute(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
15764 add_attribute(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
15765 add_attribute(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15767 return _IMP_core.ScriptProvenance_add_attribute(self, *args)
15769 def get_value(self, *args):
15771 get_value(ScriptProvenance self, FloatKey a0) -> IMP::Float
15772 get_value(ScriptProvenance self, IntKey a0) -> IMP::Int
15773 get_value(ScriptProvenance self, FloatsKey a0) -> IMP::Floats
15774 get_value(ScriptProvenance self, IntsKey a0) -> IMP::Ints
15775 get_value(ScriptProvenance self, StringKey a0) -> IMP::String
15776 get_value(ScriptProvenance self, ParticleIndexKey a0) -> Particle
15777 get_value(ScriptProvenance self, ObjectKey a0) -> Object
15778 get_value(ScriptProvenance self, SparseFloatKey a0) -> IMP::Float
15779 get_value(ScriptProvenance self, SparseIntKey a0) -> IMP::Int
15780 get_value(ScriptProvenance self, SparseStringKey a0) -> IMP::String
15781 get_value(ScriptProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15783 return _IMP_core.ScriptProvenance_get_value(self, *args)
15785 def set_value(self, *args):
15787 set_value(ScriptProvenance self, FloatKey a0, IMP::Float a1)
15788 set_value(ScriptProvenance self, IntKey a0, IMP::Int a1)
15789 set_value(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
15790 set_value(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
15791 set_value(ScriptProvenance self, StringKey a0, IMP::String a1)
15792 set_value(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
15793 set_value(ScriptProvenance self, ObjectKey a0, Object a1)
15794 set_value(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
15795 set_value(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
15796 set_value(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
15797 set_value(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15799 return _IMP_core.ScriptProvenance_set_value(self, *args)
15801 def remove_attribute(self, *args):
15803 remove_attribute(ScriptProvenance self, FloatKey a0)
15804 remove_attribute(ScriptProvenance self, IntKey a0)
15805 remove_attribute(ScriptProvenance self, FloatsKey a0)
15806 remove_attribute(ScriptProvenance self, IntsKey a0)
15807 remove_attribute(ScriptProvenance self, StringKey a0)
15808 remove_attribute(ScriptProvenance self, ParticleIndexKey a0)
15809 remove_attribute(ScriptProvenance self, ObjectKey a0)
15810 remove_attribute(ScriptProvenance self, SparseFloatKey a0)
15811 remove_attribute(ScriptProvenance self, SparseIntKey a0)
15812 remove_attribute(ScriptProvenance self, SparseStringKey a0)
15813 remove_attribute(ScriptProvenance self, SparseParticleIndexKey a0)
15815 return _IMP_core.ScriptProvenance_remove_attribute(self, *args)
15817 def has_attribute(self, *args):
15819 has_attribute(ScriptProvenance self, FloatKey a0) -> bool
15820 has_attribute(ScriptProvenance self, IntKey a0) -> bool
15821 has_attribute(ScriptProvenance self, FloatsKey a0) -> bool
15822 has_attribute(ScriptProvenance self, IntsKey a0) -> bool
15823 has_attribute(ScriptProvenance self, StringKey a0) -> bool
15824 has_attribute(ScriptProvenance self, ParticleIndexKey a0) -> bool
15825 has_attribute(ScriptProvenance self, ObjectKey a0) -> bool
15826 has_attribute(ScriptProvenance self, SparseFloatKey a0) -> bool
15827 has_attribute(ScriptProvenance self, SparseIntKey a0) -> bool
15828 has_attribute(ScriptProvenance self, SparseStringKey a0) -> bool
15829 has_attribute(ScriptProvenance self, SparseParticleIndexKey a0) -> bool
15831 return _IMP_core.ScriptProvenance_has_attribute(self, *args)
15833 def get_derivative(self, a0):
15834 r"""get_derivative(ScriptProvenance self, FloatKey a0) -> double"""
15835 return _IMP_core.ScriptProvenance_get_derivative(self, a0)
15837 def get_name(self):
15838 r"""get_name(ScriptProvenance self) -> std::string"""
15839 return _IMP_core.ScriptProvenance_get_name(self)
15841 def clear_caches(self):
15842 r"""clear_caches(ScriptProvenance self)"""
15843 return _IMP_core.ScriptProvenance_clear_caches(self)
15845 def set_name(self, a0):
15846 r"""set_name(ScriptProvenance self, std::string a0)"""
15847 return _IMP_core.ScriptProvenance_set_name(self, a0)
15850 r"""set_check_level(ScriptProvenance self, IMP::CheckLevel a0)"""
15851 return _IMP_core.ScriptProvenance_set_check_level(self, a0)
15853 def add_to_derivative(self, a0, a1, a2):
15854 r"""add_to_derivative(ScriptProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15855 return _IMP_core.ScriptProvenance_add_to_derivative(self, a0, a1, a2)
15857 def set_is_optimized(self, a0, a1):
15858 r"""set_is_optimized(ScriptProvenance self, FloatKey a0, bool a1)"""
15859 return _IMP_core.ScriptProvenance_set_is_optimized(self, a0, a1)
15861 def get_is_optimized(self, a0):
15862 r"""get_is_optimized(ScriptProvenance self, FloatKey a0) -> bool"""
15863 return _IMP_core.ScriptProvenance_get_is_optimized(self, a0)
15866 r"""get_check_level(ScriptProvenance self) -> IMP::CheckLevel"""
15867 return _IMP_core.ScriptProvenance_get_check_level(self)
15869 def __eq__(self, *args):
15871 __eq__(ScriptProvenance self, ScriptProvenance o) -> bool
15872 __eq__(ScriptProvenance self, Particle d) -> bool
15874 return _IMP_core.ScriptProvenance___eq__(self, *args)
15876 def __ne__(self, *args):
15878 __ne__(ScriptProvenance self, ScriptProvenance o) -> bool
15879 __ne__(ScriptProvenance self, Particle d) -> bool
15881 return _IMP_core.ScriptProvenance___ne__(self, *args)
15883 def __le__(self, *args):
15885 __le__(ScriptProvenance self, ScriptProvenance o) -> bool
15886 __le__(ScriptProvenance self, Particle d) -> bool
15888 return _IMP_core.ScriptProvenance___le__(self, *args)
15890 def __lt__(self, *args):
15892 __lt__(ScriptProvenance self, ScriptProvenance o) -> bool
15893 __lt__(ScriptProvenance self, Particle d) -> bool
15895 return _IMP_core.ScriptProvenance___lt__(self, *args)
15897 def __ge__(self, *args):
15899 __ge__(ScriptProvenance self, ScriptProvenance o) -> bool
15900 __ge__(ScriptProvenance self, Particle d) -> bool
15902 return _IMP_core.ScriptProvenance___ge__(self, *args)
15904 def __gt__(self, *args):
15906 __gt__(ScriptProvenance self, ScriptProvenance o) -> bool
15907 __gt__(ScriptProvenance self, Particle d) -> bool
15909 return _IMP_core.ScriptProvenance___gt__(self, *args)
15911 def __hash__(self):
15912 r"""__hash__(ScriptProvenance self) -> std::size_t"""
15913 return _IMP_core.ScriptProvenance___hash__(self)
15916 r"""__str__(ScriptProvenance self) -> std::string"""
15917 return _IMP_core.ScriptProvenance___str__(self)
15919 def __repr__(self):
15920 r"""__repr__(ScriptProvenance self) -> std::string"""
15921 return _IMP_core.ScriptProvenance___repr__(self)
15923 def _get_as_binary(self):
15924 r"""_get_as_binary(ScriptProvenance self) -> PyObject *"""
15925 return _IMP_core.ScriptProvenance__get_as_binary(self)
15927 def _set_from_binary(self, p):
15928 r"""_set_from_binary(ScriptProvenance self, PyObject * p)"""
15929 return _IMP_core.ScriptProvenance__set_from_binary(self, p)
15931 def __getstate__(self):
15932 p = self._get_as_binary()
15933 if len(self.__dict__) > 1:
15934 d = self.__dict__.copy()
15939 def __setstate__(self, p):
15940 if not hasattr(self,
'this'):
15942 if isinstance(p, tuple):
15944 self.__dict__.update(d)
15945 return self._set_from_binary(p)
15947 __swig_destroy__ = _IMP_core.delete_ScriptProvenance
15950 _IMP_core.ScriptProvenance_swigregister(ScriptProvenance)
15951 class SoftwareProvenance(Provenance):
15952 r"""Proxy of C++ IMP::core::SoftwareProvenance class."""
15954 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15956 def set_software_name(self, name):
15957 r"""set_software_name(SoftwareProvenance self, std::string name)"""
15958 return _IMP_core.SoftwareProvenance_set_software_name(self, name)
15960 def get_software_name(self):
15961 r"""get_software_name(SoftwareProvenance self) -> std::string"""
15962 return _IMP_core.SoftwareProvenance_get_software_name(self)
15964 def set_version(self, version):
15965 r"""set_version(SoftwareProvenance self, std::string version)"""
15966 return _IMP_core.SoftwareProvenance_set_version(self, version)
15968 def get_version(self):
15969 r"""get_version(SoftwareProvenance self) -> std::string"""
15970 return _IMP_core.SoftwareProvenance_get_version(self)
15972 def set_location(self, location):
15973 r"""set_location(SoftwareProvenance self, std::string location)"""
15974 return _IMP_core.SoftwareProvenance_set_location(self, location)
15976 def get_location(self):
15977 r"""get_location(SoftwareProvenance self) -> std::string"""
15978 return _IMP_core.SoftwareProvenance_get_location(self)
15980 def __init__(self, *args):
15982 __init__(SoftwareProvenance self) -> SoftwareProvenance
15983 __init__(SoftwareProvenance self, Model m, ParticleIndex id) -> SoftwareProvenance
15984 __init__(SoftwareProvenance self, _ParticleAdaptor d) -> SoftwareProvenance
15986 _IMP_core.SoftwareProvenance_swiginit(self, _IMP_core.new_SoftwareProvenance(*args))
15989 def get_is_setup(*args):
15991 get_is_setup(Model m, ParticleIndex pi) -> bool
15992 get_is_setup(_ParticleAdaptor p) -> bool
15994 return _IMP_core.SoftwareProvenance_get_is_setup(*args)
15996 def show(self, *args):
15997 r"""show(SoftwareProvenance self, _ostream out=std::cout)"""
15998 return _IMP_core.SoftwareProvenance_show(self, *args)
16001 def setup_particle(*args):
16003 setup_particle(Model m, ParticleIndex pi, std::string name, std::string version, std::string location) -> SoftwareProvenance
16004 setup_particle(_ParticleAdaptor pa, std::string name, std::string version, std::string location) -> SoftwareProvenance
16005 setup_particle(Model m, ParticleIndex pi, SoftwareProvenance o) -> SoftwareProvenance
16006 setup_particle(_ParticleAdaptor pa, SoftwareProvenance o) -> SoftwareProvenance
16008 return _IMP_core.SoftwareProvenance_setup_particle(*args)
16010 def add_attribute(self, *args):
16012 add_attribute(SoftwareProvenance self, FloatKey k, IMP::Float v, bool opt)
16013 add_attribute(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
16014 add_attribute(SoftwareProvenance self, IntKey a0, IMP::Int a1)
16015 add_attribute(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
16016 add_attribute(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
16017 add_attribute(SoftwareProvenance self, StringKey a0, IMP::String a1)
16018 add_attribute(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
16019 add_attribute(SoftwareProvenance self, ObjectKey a0, Object a1)
16020 add_attribute(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
16021 add_attribute(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
16022 add_attribute(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
16023 add_attribute(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16025 return _IMP_core.SoftwareProvenance_add_attribute(self, *args)
16027 def get_value(self, *args):
16029 get_value(SoftwareProvenance self, FloatKey a0) -> IMP::Float
16030 get_value(SoftwareProvenance self, IntKey a0) -> IMP::Int
16031 get_value(SoftwareProvenance self, FloatsKey a0) -> IMP::Floats
16032 get_value(SoftwareProvenance self, IntsKey a0) -> IMP::Ints
16033 get_value(SoftwareProvenance self, StringKey a0) -> IMP::String
16034 get_value(SoftwareProvenance self, ParticleIndexKey a0) -> Particle
16035 get_value(SoftwareProvenance self, ObjectKey a0) -> Object
16036 get_value(SoftwareProvenance self, SparseFloatKey a0) -> IMP::Float
16037 get_value(SoftwareProvenance self, SparseIntKey a0) -> IMP::Int
16038 get_value(SoftwareProvenance self, SparseStringKey a0) -> IMP::String
16039 get_value(SoftwareProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
16041 return _IMP_core.SoftwareProvenance_get_value(self, *args)
16043 def set_value(self, *args):
16045 set_value(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
16046 set_value(SoftwareProvenance self, IntKey a0, IMP::Int a1)
16047 set_value(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
16048 set_value(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
16049 set_value(SoftwareProvenance self, StringKey a0, IMP::String a1)
16050 set_value(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
16051 set_value(SoftwareProvenance self, ObjectKey a0, Object a1)
16052 set_value(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
16053 set_value(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
16054 set_value(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
16055 set_value(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
16057 return _IMP_core.SoftwareProvenance_set_value(self, *args)
16059 def remove_attribute(self, *args):
16061 remove_attribute(SoftwareProvenance self, FloatKey a0)
16062 remove_attribute(SoftwareProvenance self, IntKey a0)
16063 remove_attribute(SoftwareProvenance self, FloatsKey a0)
16064 remove_attribute(SoftwareProvenance self, IntsKey a0)
16065 remove_attribute(SoftwareProvenance self, StringKey a0)
16066 remove_attribute(SoftwareProvenance self, ParticleIndexKey a0)
16067 remove_attribute(SoftwareProvenance self, ObjectKey a0)
16068 remove_attribute(SoftwareProvenance self, SparseFloatKey a0)
16069 remove_attribute(SoftwareProvenance self, SparseIntKey a0)
16070 remove_attribute(SoftwareProvenance self, SparseStringKey a0)
16071 remove_attribute(SoftwareProvenance self, SparseParticleIndexKey a0)
16073 return _IMP_core.SoftwareProvenance_remove_attribute(self, *args)
16075 def has_attribute(self, *args):
16077 has_attribute(SoftwareProvenance self, FloatKey a0) -> bool
16078 has_attribute(SoftwareProvenance self, IntKey a0) -> bool
16079 has_attribute(SoftwareProvenance self, FloatsKey a0) -> bool
16080 has_attribute(SoftwareProvenance self, IntsKey a0) -> bool
16081 has_attribute(SoftwareProvenance self, StringKey a0) -> bool
16082 has_attribute(SoftwareProvenance self, ParticleIndexKey a0) -> bool
16083 has_attribute(SoftwareProvenance self, ObjectKey a0) -> bool
16084 has_attribute(SoftwareProvenance self, SparseFloatKey a0) -> bool
16085 has_attribute(SoftwareProvenance self, SparseIntKey a0) -> bool
16086 has_attribute(SoftwareProvenance self, SparseStringKey a0) -> bool
16087 has_attribute(SoftwareProvenance self, SparseParticleIndexKey a0) -> bool
16089 return _IMP_core.SoftwareProvenance_has_attribute(self, *args)
16091 def get_derivative(self, a0):
16092 r"""get_derivative(SoftwareProvenance self, FloatKey a0) -> double"""
16093 return _IMP_core.SoftwareProvenance_get_derivative(self, a0)
16095 def get_name(self):
16096 r"""get_name(SoftwareProvenance self) -> std::string"""
16097 return _IMP_core.SoftwareProvenance_get_name(self)
16099 def clear_caches(self):
16100 r"""clear_caches(SoftwareProvenance self)"""
16101 return _IMP_core.SoftwareProvenance_clear_caches(self)
16103 def set_name(self, a0):
16104 r"""set_name(SoftwareProvenance self, std::string a0)"""
16105 return _IMP_core.SoftwareProvenance_set_name(self, a0)
16108 r"""set_check_level(SoftwareProvenance self, IMP::CheckLevel a0)"""
16109 return _IMP_core.SoftwareProvenance_set_check_level(self, a0)
16111 def add_to_derivative(self, a0, a1, a2):
16112 r"""add_to_derivative(SoftwareProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16113 return _IMP_core.SoftwareProvenance_add_to_derivative(self, a0, a1, a2)
16115 def set_is_optimized(self, a0, a1):
16116 r"""set_is_optimized(SoftwareProvenance self, FloatKey a0, bool a1)"""
16117 return _IMP_core.SoftwareProvenance_set_is_optimized(self, a0, a1)
16119 def get_is_optimized(self, a0):
16120 r"""get_is_optimized(SoftwareProvenance self, FloatKey a0) -> bool"""
16121 return _IMP_core.SoftwareProvenance_get_is_optimized(self, a0)
16124 r"""get_check_level(SoftwareProvenance self) -> IMP::CheckLevel"""
16125 return _IMP_core.SoftwareProvenance_get_check_level(self)
16127 def __eq__(self, *args):
16129 __eq__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16130 __eq__(SoftwareProvenance self, Particle d) -> bool
16132 return _IMP_core.SoftwareProvenance___eq__(self, *args)
16134 def __ne__(self, *args):
16136 __ne__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16137 __ne__(SoftwareProvenance self, Particle d) -> bool
16139 return _IMP_core.SoftwareProvenance___ne__(self, *args)
16141 def __le__(self, *args):
16143 __le__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16144 __le__(SoftwareProvenance self, Particle d) -> bool
16146 return _IMP_core.SoftwareProvenance___le__(self, *args)
16148 def __lt__(self, *args):
16150 __lt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16151 __lt__(SoftwareProvenance self, Particle d) -> bool
16153 return _IMP_core.SoftwareProvenance___lt__(self, *args)
16155 def __ge__(self, *args):
16157 __ge__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16158 __ge__(SoftwareProvenance self, Particle d) -> bool
16160 return _IMP_core.SoftwareProvenance___ge__(self, *args)
16162 def __gt__(self, *args):
16164 __gt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
16165 __gt__(SoftwareProvenance self, Particle d) -> bool
16167 return _IMP_core.SoftwareProvenance___gt__(self, *args)
16169 def __hash__(self):
16170 r"""__hash__(SoftwareProvenance self) -> std::size_t"""
16171 return _IMP_core.SoftwareProvenance___hash__(self)
16174 r"""__str__(SoftwareProvenance self) -> std::string"""
16175 return _IMP_core.SoftwareProvenance___str__(self)
16177 def __repr__(self):
16178 r"""__repr__(SoftwareProvenance self) -> std::string"""
16179 return _IMP_core.SoftwareProvenance___repr__(self)
16181 def _get_as_binary(self):
16182 r"""_get_as_binary(SoftwareProvenance self) -> PyObject *"""
16183 return _IMP_core.SoftwareProvenance__get_as_binary(self)
16185 def _set_from_binary(self, p):
16186 r"""_set_from_binary(SoftwareProvenance self, PyObject * p)"""
16187 return _IMP_core.SoftwareProvenance__set_from_binary(self, p)
16189 def __getstate__(self):
16190 p = self._get_as_binary()
16191 if len(self.__dict__) > 1:
16192 d = self.__dict__.copy()
16197 def __setstate__(self, p):
16198 if not hasattr(self,
'this'):
16200 if isinstance(p, tuple):
16202 self.__dict__.update(d)
16203 return self._set_from_binary(p)
16205 __swig_destroy__ = _IMP_core.delete_SoftwareProvenance
16208 _IMP_core.SoftwareProvenance_swigregister(SoftwareProvenance)
16210 r"""Proxy of C++ IMP::core::Provenanced class."""
16212 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16214 def get_provenance(self):
16215 r"""get_provenance(Provenanced self) -> Provenance"""
16216 return _IMP_core.Provenanced_get_provenance(self)
16218 def set_provenance(self, p):
16219 r"""set_provenance(Provenanced self, Provenance p)"""
16220 return _IMP_core.Provenanced_set_provenance(self, p)
16222 def __init__(self, *args):
16224 __init__(Provenanced self) -> Provenanced
16225 __init__(Provenanced self, Model m, ParticleIndex id) -> Provenanced
16226 __init__(Provenanced self, _ParticleAdaptor d) -> Provenanced
16228 _IMP_core.Provenanced_swiginit(self, _IMP_core.new_Provenanced(*args))
16231 def get_is_setup(*args):
16233 get_is_setup(Model m, ParticleIndex pi) -> bool
16234 get_is_setup(_ParticleAdaptor p) -> bool
16236 return _IMP_core.Provenanced_get_is_setup(*args)
16238 def show(self, *args):
16239 r"""show(Provenanced self, _ostream out=std::cout)"""
16240 return _IMP_core.Provenanced_show(self, *args)
16243 def setup_particle(*args):
16245 setup_particle(Model m, ParticleIndex pi, Provenance p) -> Provenanced
16246 setup_particle(_ParticleAdaptor pa, Provenance p) -> Provenanced
16248 return _IMP_core.Provenanced_setup_particle(*args)
16250 def add_attribute(self, *args):
16252 add_attribute(Provenanced self, FloatKey k, IMP::Float v, bool opt)
16253 add_attribute(Provenanced self, FloatKey a0, IMP::Float a1)
16254 add_attribute(Provenanced self, IntKey a0, IMP::Int a1)
16255 add_attribute(Provenanced self, FloatsKey a0, IMP::Floats a1)
16256 add_attribute(Provenanced self, IntsKey a0, IMP::Ints a1)
16257 add_attribute(Provenanced self, StringKey a0, IMP::String a1)
16258 add_attribute(Provenanced self, ParticleIndexKey a0, Particle a1)
16259 add_attribute(Provenanced self, ObjectKey a0, Object a1)
16260 add_attribute(Provenanced self, SparseFloatKey a0, IMP::Float a1)
16261 add_attribute(Provenanced self, SparseIntKey a0, IMP::Int a1)
16262 add_attribute(Provenanced self, SparseStringKey a0, IMP::String a1)
16263 add_attribute(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
16265 return _IMP_core.Provenanced_add_attribute(self, *args)
16267 def get_value(self, *args):
16269 get_value(Provenanced self, FloatKey a0) -> IMP::Float
16270 get_value(Provenanced self, IntKey a0) -> IMP::Int
16271 get_value(Provenanced self, FloatsKey a0) -> IMP::Floats
16272 get_value(Provenanced self, IntsKey a0) -> IMP::Ints
16273 get_value(Provenanced self, StringKey a0) -> IMP::String
16274 get_value(Provenanced self, ParticleIndexKey a0) -> Particle
16275 get_value(Provenanced self, ObjectKey a0) -> Object
16276 get_value(Provenanced self, SparseFloatKey a0) -> IMP::Float
16277 get_value(Provenanced self, SparseIntKey a0) -> IMP::Int
16278 get_value(Provenanced self, SparseStringKey a0) -> IMP::String
16279 get_value(Provenanced self, SparseParticleIndexKey a0) -> ParticleIndex
16281 return _IMP_core.Provenanced_get_value(self, *args)
16283 def set_value(self, *args):
16285 set_value(Provenanced self, FloatKey a0, IMP::Float a1)
16286 set_value(Provenanced self, IntKey a0, IMP::Int a1)
16287 set_value(Provenanced self, FloatsKey a0, IMP::Floats a1)
16288 set_value(Provenanced self, IntsKey a0, IMP::Ints a1)
16289 set_value(Provenanced self, StringKey a0, IMP::String a1)
16290 set_value(Provenanced self, ParticleIndexKey a0, Particle a1)
16291 set_value(Provenanced self, ObjectKey a0, Object a1)
16292 set_value(Provenanced self, SparseFloatKey a0, IMP::Float a1)
16293 set_value(Provenanced self, SparseIntKey a0, IMP::Int a1)
16294 set_value(Provenanced self, SparseStringKey a0, IMP::String a1)
16295 set_value(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
16297 return _IMP_core.Provenanced_set_value(self, *args)
16299 def remove_attribute(self, *args):
16301 remove_attribute(Provenanced self, FloatKey a0)
16302 remove_attribute(Provenanced self, IntKey a0)
16303 remove_attribute(Provenanced self, FloatsKey a0)
16304 remove_attribute(Provenanced self, IntsKey a0)
16305 remove_attribute(Provenanced self, StringKey a0)
16306 remove_attribute(Provenanced self, ParticleIndexKey a0)
16307 remove_attribute(Provenanced self, ObjectKey a0)
16308 remove_attribute(Provenanced self, SparseFloatKey a0)
16309 remove_attribute(Provenanced self, SparseIntKey a0)
16310 remove_attribute(Provenanced self, SparseStringKey a0)
16311 remove_attribute(Provenanced self, SparseParticleIndexKey a0)
16313 return _IMP_core.Provenanced_remove_attribute(self, *args)
16315 def has_attribute(self, *args):
16317 has_attribute(Provenanced self, FloatKey a0) -> bool
16318 has_attribute(Provenanced self, IntKey a0) -> bool
16319 has_attribute(Provenanced self, FloatsKey a0) -> bool
16320 has_attribute(Provenanced self, IntsKey a0) -> bool
16321 has_attribute(Provenanced self, StringKey a0) -> bool
16322 has_attribute(Provenanced self, ParticleIndexKey a0) -> bool
16323 has_attribute(Provenanced self, ObjectKey a0) -> bool
16324 has_attribute(Provenanced self, SparseFloatKey a0) -> bool
16325 has_attribute(Provenanced self, SparseIntKey a0) -> bool
16326 has_attribute(Provenanced self, SparseStringKey a0) -> bool
16327 has_attribute(Provenanced self, SparseParticleIndexKey a0) -> bool
16329 return _IMP_core.Provenanced_has_attribute(self, *args)
16331 def get_derivative(self, a0):
16332 r"""get_derivative(Provenanced self, FloatKey a0) -> double"""
16333 return _IMP_core.Provenanced_get_derivative(self, a0)
16335 def get_name(self):
16336 r"""get_name(Provenanced self) -> std::string"""
16337 return _IMP_core.Provenanced_get_name(self)
16339 def clear_caches(self):
16340 r"""clear_caches(Provenanced self)"""
16341 return _IMP_core.Provenanced_clear_caches(self)
16343 def set_name(self, a0):
16344 r"""set_name(Provenanced self, std::string a0)"""
16345 return _IMP_core.Provenanced_set_name(self, a0)
16348 r"""set_check_level(Provenanced self, IMP::CheckLevel a0)"""
16349 return _IMP_core.Provenanced_set_check_level(self, a0)
16351 def add_to_derivative(self, a0, a1, a2):
16352 r"""add_to_derivative(Provenanced self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16353 return _IMP_core.Provenanced_add_to_derivative(self, a0, a1, a2)
16355 def set_is_optimized(self, a0, a1):
16356 r"""set_is_optimized(Provenanced self, FloatKey a0, bool a1)"""
16357 return _IMP_core.Provenanced_set_is_optimized(self, a0, a1)
16359 def get_is_optimized(self, a0):
16360 r"""get_is_optimized(Provenanced self, FloatKey a0) -> bool"""
16361 return _IMP_core.Provenanced_get_is_optimized(self, a0)
16364 r"""get_check_level(Provenanced self) -> IMP::CheckLevel"""
16365 return _IMP_core.Provenanced_get_check_level(self)
16367 def __eq__(self, *args):
16369 __eq__(Provenanced self, Provenanced o) -> bool
16370 __eq__(Provenanced self, Particle d) -> bool
16372 return _IMP_core.Provenanced___eq__(self, *args)
16374 def __ne__(self, *args):
16376 __ne__(Provenanced self, Provenanced o) -> bool
16377 __ne__(Provenanced self, Particle d) -> bool
16379 return _IMP_core.Provenanced___ne__(self, *args)
16381 def __le__(self, *args):
16383 __le__(Provenanced self, Provenanced o) -> bool
16384 __le__(Provenanced self, Particle d) -> bool
16386 return _IMP_core.Provenanced___le__(self, *args)
16388 def __lt__(self, *args):
16390 __lt__(Provenanced self, Provenanced o) -> bool
16391 __lt__(Provenanced self, Particle d) -> bool
16393 return _IMP_core.Provenanced___lt__(self, *args)
16395 def __ge__(self, *args):
16397 __ge__(Provenanced self, Provenanced o) -> bool
16398 __ge__(Provenanced self, Particle d) -> bool
16400 return _IMP_core.Provenanced___ge__(self, *args)
16402 def __gt__(self, *args):
16404 __gt__(Provenanced self, Provenanced o) -> bool
16405 __gt__(Provenanced self, Particle d) -> bool
16407 return _IMP_core.Provenanced___gt__(self, *args)
16409 def __hash__(self):
16410 r"""__hash__(Provenanced self) -> std::size_t"""
16411 return _IMP_core.Provenanced___hash__(self)
16414 r"""__str__(Provenanced self) -> std::string"""
16415 return _IMP_core.Provenanced___str__(self)
16417 def __repr__(self):
16418 r"""__repr__(Provenanced self) -> std::string"""
16419 return _IMP_core.Provenanced___repr__(self)
16421 def _get_as_binary(self):
16422 r"""_get_as_binary(Provenanced self) -> PyObject *"""
16423 return _IMP_core.Provenanced__get_as_binary(self)
16425 def _set_from_binary(self, p):
16426 r"""_set_from_binary(Provenanced self, PyObject * p)"""
16427 return _IMP_core.Provenanced__set_from_binary(self, p)
16429 def __getstate__(self):
16430 p = self._get_as_binary()
16431 if len(self.__dict__) > 1:
16432 d = self.__dict__.copy()
16437 def __setstate__(self, p):
16438 if not hasattr(self,
'this'):
16440 if isinstance(p, tuple):
16442 self.__dict__.update(d)
16443 return self._set_from_binary(p)
16445 __swig_destroy__ = _IMP_core.delete_Provenanced
16448 _IMP_core.Provenanced_swigregister(Provenanced)
16451 r"""add_provenance(Model m, ParticleIndex pi, Provenance p)"""
16452 return _IMP_core.add_provenance(m, pi, p)
16455 r"""create_clone(Provenance p) -> Provenance"""
16456 return _IMP_core.create_clone(p)
16460 get_transformation_aligning_first_to_second(IMP::ParticlesTemp const & a, IMP::ParticlesTemp const & b) -> Transformation3D
16461 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
16462 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
16464 return _IMP_core.get_transformation_aligning_first_to_second(*args)
16467 r"""create_restraint(PairScore ps, IMP::ParticlePair pp) -> Restraint"""
16468 return _IMP_core.create_restraint(ps, pp)
16470 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::LOWER > class."""
16472 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16474 def __init__(self, *args):
16476 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicLowerBound
16477 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicLowerBound
16479 _IMP_core.TruncatedHarmonicLowerBound_swiginit(self, _IMP_core.new_TruncatedHarmonicLowerBound(*args))
16481 def get_version_info(self):
16482 r"""get_version_info(TruncatedHarmonicLowerBound self) -> VersionInfo"""
16483 return _IMP_core.TruncatedHarmonicLowerBound_get_version_info(self)
16484 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicLowerBound
16487 r"""__str__(TruncatedHarmonicLowerBound self) -> std::string"""
16488 return _IMP_core.TruncatedHarmonicLowerBound___str__(self)
16490 def __repr__(self):
16491 r"""__repr__(TruncatedHarmonicLowerBound self) -> std::string"""
16492 return _IMP_core.TruncatedHarmonicLowerBound___repr__(self)
16496 return _object_cast_to_TruncatedHarmonic(o)
16500 _IMP_core.TruncatedHarmonicLowerBound_swigregister(TruncatedHarmonicLowerBound)
16502 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::UPPER > class."""
16504 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16506 def __init__(self, *args):
16508 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicUpperBound
16509 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicUpperBound
16511 _IMP_core.TruncatedHarmonicUpperBound_swiginit(self, _IMP_core.new_TruncatedHarmonicUpperBound(*args))
16513 def get_version_info(self):
16514 r"""get_version_info(TruncatedHarmonicUpperBound self) -> VersionInfo"""
16515 return _IMP_core.TruncatedHarmonicUpperBound_get_version_info(self)
16516 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicUpperBound
16519 r"""__str__(TruncatedHarmonicUpperBound self) -> std::string"""
16520 return _IMP_core.TruncatedHarmonicUpperBound___str__(self)
16522 def __repr__(self):
16523 r"""__repr__(TruncatedHarmonicUpperBound self) -> std::string"""
16524 return _IMP_core.TruncatedHarmonicUpperBound___repr__(self)
16528 return _object_cast_to_TruncatedHarmonic(o)
16532 _IMP_core.TruncatedHarmonicUpperBound_swigregister(TruncatedHarmonicUpperBound)
16534 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::BOTH > class."""
16536 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16538 def __init__(self, *args):
16540 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicBound
16541 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicBound
16543 _IMP_core.TruncatedHarmonicBound_swiginit(self, _IMP_core.new_TruncatedHarmonicBound(*args))
16545 def get_version_info(self):
16546 r"""get_version_info(TruncatedHarmonicBound self) -> VersionInfo"""
16547 return _IMP_core.TruncatedHarmonicBound_get_version_info(self)
16548 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicBound
16551 r"""__str__(TruncatedHarmonicBound self) -> std::string"""
16552 return _IMP_core.TruncatedHarmonicBound___str__(self)
16554 def __repr__(self):
16555 r"""__repr__(TruncatedHarmonicBound self) -> std::string"""
16556 return _IMP_core.TruncatedHarmonicBound___repr__(self)
16560 return _object_cast_to_TruncatedHarmonic(o)
16564 _IMP_core.TruncatedHarmonicBound_swigregister(TruncatedHarmonicBound)
16566 r"""Proxy of C++ IMP::Key< 34897493 > class."""
16568 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16570 def __init__(self, *args):
16572 __init__(ParticleType self) -> ParticleType
16573 __init__(ParticleType self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleType
16574 __init__(ParticleType self, unsigned int i) -> ParticleType
16576 _IMP_core.ParticleType_swiginit(self, _IMP_core.new_ParticleType(*args))
16580 r"""add_key(std::string sc) -> unsigned int"""
16581 return _IMP_core.ParticleType_add_key(sc)
16584 def get_key_exists(sc):
16585 r"""get_key_exists(std::string sc) -> bool"""
16586 return _IMP_core.ParticleType_get_key_exists(sc)
16588 def get_string(self):
16589 r"""get_string(ParticleType self) -> std::string const"""
16590 return _IMP_core.ParticleType_get_string(self)
16592 def __cmp__(self, o):
16593 r"""__cmp__(ParticleType self, ParticleType o) -> int"""
16594 return _IMP_core.ParticleType___cmp__(self, o)
16596 def __eq__(self, o):
16597 r"""__eq__(ParticleType self, ParticleType o) -> bool"""
16598 return _IMP_core.ParticleType___eq__(self, o)
16600 def __ne__(self, o):
16601 r"""__ne__(ParticleType self, ParticleType o) -> bool"""
16602 return _IMP_core.ParticleType___ne__(self, o)
16604 def __lt__(self, o):
16605 r"""__lt__(ParticleType self, ParticleType o) -> bool"""
16606 return _IMP_core.ParticleType___lt__(self, o)
16608 def __gt__(self, o):
16609 r"""__gt__(ParticleType self, ParticleType o) -> bool"""
16610 return _IMP_core.ParticleType___gt__(self, o)
16612 def __ge__(self, o):
16613 r"""__ge__(ParticleType self, ParticleType o) -> bool"""
16614 return _IMP_core.ParticleType___ge__(self, o)
16616 def __le__(self, o):
16617 r"""__le__(ParticleType self, ParticleType o) -> bool"""
16618 return _IMP_core.ParticleType___le__(self, o)
16620 def __hash__(self):
16621 r"""__hash__(ParticleType self) -> std::size_t"""
16622 return _IMP_core.ParticleType___hash__(self)
16624 def show(self, *args):
16625 r"""show(ParticleType self, _ostream out=std::cout)"""
16626 return _IMP_core.ParticleType_show(self, *args)
16629 def add_alias(old_key, new_name):
16630 r"""add_alias(ParticleType old_key, std::string new_name) -> ParticleType"""
16631 return _IMP_core.ParticleType_add_alias(old_key, new_name)
16634 def get_number_of_keys():
16635 r"""get_number_of_keys() -> unsigned int"""
16636 return _IMP_core.ParticleType_get_number_of_keys()
16639 r"""get_index(ParticleType self) -> unsigned int"""
16640 return _IMP_core.ParticleType_get_index(self)
16644 r"""show_all(_ostream out)"""
16645 return _IMP_core.ParticleType_show_all(out)
16648 def get_all_strings():
16649 r"""get_all_strings() -> IMP::Vector< std::string >"""
16650 return _IMP_core.ParticleType_get_all_strings()
16653 def get_number_unique():
16654 r"""get_number_unique() -> unsigned int"""
16655 return _IMP_core.ParticleType_get_number_unique()
16658 r"""__str__(ParticleType self) -> std::string"""
16659 return _IMP_core.ParticleType___str__(self)
16661 def __repr__(self):
16662 r"""__repr__(ParticleType self) -> std::string"""
16663 return _IMP_core.ParticleType___repr__(self)
16664 __swig_destroy__ = _IMP_core.delete_ParticleType
16667 _IMP_core.ParticleType_swigregister(ParticleType)
16669 r"""Proxy of C++ IMP::core::GenericAttributeSingletonScore< UnaryFunction > class."""
16671 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16672 __repr__ = _swig_repr
16674 def __init__(self, f, k):
16675 r"""__init__(AttributeSingletonScore self, UnaryFunction f, FloatKey k) -> AttributeSingletonScore"""
16676 _IMP_core.AttributeSingletonScore_swiginit(self, _IMP_core.new_AttributeSingletonScore(f, k))
16678 def do_get_inputs(self, m, pis):
16679 r"""do_get_inputs(AttributeSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16680 return _IMP_core.AttributeSingletonScore_do_get_inputs(self, m, pis)
16682 def get_unary_function(self):
16683 r"""get_unary_function(AttributeSingletonScore self) -> UnaryFunction"""
16684 return _IMP_core.AttributeSingletonScore_get_unary_function(self)
16687 r"""get_key(AttributeSingletonScore self) -> FloatKey"""
16688 return _IMP_core.AttributeSingletonScore_get_key(self)
16690 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16691 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"""
16692 return _IMP_core.AttributeSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16694 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16695 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"""
16696 return _IMP_core.AttributeSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16698 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16699 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"""
16700 return _IMP_core.AttributeSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16702 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16703 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"""
16704 return _IMP_core.AttributeSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16706 def get_version_info(self):
16707 r"""get_version_info(AttributeSingletonScore self) -> VersionInfo"""
16708 return _IMP_core.AttributeSingletonScore_get_version_info(self)
16709 __swig_destroy__ = _IMP_core.delete_AttributeSingletonScore
16713 return _object_cast_to_AttributeSingletonScore(o)
16716 def _get_jax(self, m, indexes):
16717 def score_float_key(jm, key, uf):
16718 return uf(jm[key][indexes])
16720 def score_xyz_key(jm, xyz_index, uf):
16721 return uf(jm[
'xyz'][indexes, xyz_index])
16723 uf = self.get_unary_function().get_derived_object()._get_jax()
16724 key = self.get_key()
16727 if key.get_index() >= 7:
16729 f = functools.partial(score_float_key, key=key.get_string(), uf=uf)
16730 elif key == XYZR.get_radius_key():
16732 f = functools.partial(score_float_key, key=
'r', uf=uf)
16733 elif key
in XYZ.get_xyz_keys():
16735 xyz_index = XYZ.get_xyz_keys().index(key)
16736 f = functools.partial(score_xyz_key, xyz_index=xyz_index, uf=uf)
16738 raise NotImplementedError(
"No support for key %s" % key)
16739 return self._wrap_jax(m, f, keys=need_keys)
16743 _IMP_core.AttributeSingletonScore_swigregister(AttributeSingletonScore)
16746 r"""create_generic_attribute_singleton_score(UnaryFunction uf, FloatKey k) -> AttributeSingletonScore"""
16747 return _IMP_core.create_generic_attribute_singleton_score(uf, k)
16749 r"""Proxy of C++ IMP::core::GenericBoundingBox3DSingletonScore< UnaryFunction > class."""
16751 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16752 __repr__ = _swig_repr
16754 def __init__(self, f, bb):
16755 r"""__init__(BoundingBox3DSingletonScore self, UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
16756 _IMP_core.BoundingBox3DSingletonScore_swiginit(self, _IMP_core.new_BoundingBox3DSingletonScore(f, bb))
16758 def get_unary_function(self):
16759 r"""get_unary_function(BoundingBox3DSingletonScore self) -> UnaryFunction"""
16760 return _IMP_core.BoundingBox3DSingletonScore_get_unary_function(self)
16763 r"""get_bounding_box(BoundingBox3DSingletonScore self) -> BoundingBox3D"""
16764 return _IMP_core.BoundingBox3DSingletonScore_get_bounding_box(self)
16766 def do_get_inputs(self, m, pis):
16767 r"""do_get_inputs(BoundingBox3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16768 return _IMP_core.BoundingBox3DSingletonScore_do_get_inputs(self, m, pis)
16770 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16771 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"""
16772 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16774 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16775 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"""
16776 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16778 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16779 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"""
16780 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16782 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16783 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"""
16784 return _IMP_core.BoundingBox3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16786 def get_version_info(self):
16787 r"""get_version_info(BoundingBox3DSingletonScore self) -> VersionInfo"""
16788 return _IMP_core.BoundingBox3DSingletonScore_get_version_info(self)
16789 __swig_destroy__ = _IMP_core.delete_BoundingBox3DSingletonScore
16793 return _object_cast_to_BoundingBox3DSingletonScore(o)
16796 def _get_jax(self, m, indexes):
16797 import jax.numpy
as jnp
16798 def score(jm, box_min, box_max, uf):
16799 xyzs = jm[
'xyz'][indexes]
16806 drs = jnp.linalg.norm(
16807 xyzs - jnp.clip(xyzs, box_min, box_max), axis=1)
16809 uf = self.get_unary_function().get_derived_object()
16810 bb = self.get_bounding_box()
16811 f = functools.partial(score, box_min=jnp.asarray(bb.get_corner(0)),
16812 box_max=jnp.asarray(bb.get_corner(1)),
16814 return self._wrap_jax(m, f)
16818 _IMP_core.BoundingBox3DSingletonScore_swigregister(BoundingBox3DSingletonScore)
16820 def create_bounding_box_3d_singleton_score(f, bb):
16821 r"""create_bounding_box_3d_singleton_score(UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
16822 return _IMP_core.create_bounding_box_3d_singleton_score(f, bb)
16824 r"""Proxy of C++ IMP::core::GenericBoundingSphere3DSingletonScore< UnaryFunction > class."""
16826 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16827 __repr__ = _swig_repr
16829 def __init__(self, f, sphere):
16830 r"""__init__(BoundingSphere3DSingletonScore self, UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
16831 _IMP_core.BoundingSphere3DSingletonScore_swiginit(self, _IMP_core.new_BoundingSphere3DSingletonScore(f, sphere))
16833 def do_get_inputs(self, m, pis):
16834 r"""do_get_inputs(BoundingSphere3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16835 return _IMP_core.BoundingSphere3DSingletonScore_do_get_inputs(self, m, pis)
16837 def get_unary_function(self):
16838 r"""get_unary_function(BoundingSphere3DSingletonScore self) -> UnaryFunction"""
16839 return _IMP_core.BoundingSphere3DSingletonScore_get_unary_function(self)
16841 def get_sphere(self):
16842 r"""get_sphere(BoundingSphere3DSingletonScore self) -> Sphere3D"""
16843 return _IMP_core.BoundingSphere3DSingletonScore_get_sphere(self)
16845 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16846 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"""
16847 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16849 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16850 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"""
16851 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16853 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16854 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"""
16855 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16857 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16858 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"""
16859 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16861 def get_version_info(self):
16862 r"""get_version_info(BoundingSphere3DSingletonScore self) -> VersionInfo"""
16863 return _IMP_core.BoundingSphere3DSingletonScore_get_version_info(self)
16864 __swig_destroy__ = _IMP_core.delete_BoundingSphere3DSingletonScore
16868 return _object_cast_to_BoundingSphere3DSingletonScore(o)
16871 def _get_jax(self, m, indexes):
16872 import jax.numpy
as jnp
16874 def score_with_radius(jm, inds, center, radius):
16875 xyzs = jm[
'xyz'][inds]
16876 radii = jm[
'r'][inds]
16877 drs = jnp.linalg.norm(xyzs - center) + radii - radius
16878 return jax.lax.select(drs < 0.000001, jnp.zeros_like(drs), uf(drs))
16879 def score_without_radius(jm, inds, center, radius):
16880 xyzs = jm[
'xyz'][inds]
16881 drs = jnp.linalg.norm(xyzs - center) - radius
16882 return jax.lax.select(drs < 0.000001, jnp.zeros_like(drs), uf(drs))
16883 without_radii_inds = []
16884 with_radii_inds = []
16885 for ind
in indexes:
16886 if XYZR.get_is_setup(m, ind):
16887 with_radii_inds.append(ind)
16889 without_radii_inds.append(ind)
16890 without_radii_inds = jnp.asarray(without_radii_inds)
16891 with_radii_inds = jnp.asarray(with_radii_inds)
16892 uf = self.get_unary_function().get_derived_object()._get_jax()
16893 sphere = self.get_sphere()
16894 radius = sphere.get_radius()
16895 center = jnp.asarray(sphere.get_center())
16898 if without_radii_inds.size > 0:
16899 s += score_without_radius(jm, without_radii_inds,
16901 if with_radii_inds.size > 0:
16902 s += score_with_radius(jm, with_radii_inds, center, radius)
16904 return self._wrap_jax(m, score)
16908 _IMP_core.BoundingSphere3DSingletonScore_swigregister(BoundingSphere3DSingletonScore)
16910 def create_bounding_sphere_3d_singleton_score(f, sphere):
16911 r"""create_bounding_sphere_3d_singleton_score(UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
16912 return _IMP_core.create_bounding_sphere_3d_singleton_score(f, sphere)
16914 r"""Proxy of C++ IMP::core::GenericDistanceToSingletonScore< UnaryFunction > class."""
16916 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16917 __repr__ = _swig_repr
16919 def __init__(self, *args):
16921 __init__(DistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore
16922 __init__(DistanceToSingletonScore self) -> DistanceToSingletonScore
16924 _IMP_core.DistanceToSingletonScore_swiginit(self, _IMP_core.new_DistanceToSingletonScore(*args))
16926 def do_get_inputs(self, m, pis):
16927 r"""do_get_inputs(DistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16928 return _IMP_core.DistanceToSingletonScore_do_get_inputs(self, m, pis)
16930 def get_unary_function(self):
16931 r"""get_unary_function(DistanceToSingletonScore self) -> UnaryFunction"""
16932 return _IMP_core.DistanceToSingletonScore_get_unary_function(self)
16934 def get_point(self):
16935 r"""get_point(DistanceToSingletonScore self) -> Vector3D"""
16936 return _IMP_core.DistanceToSingletonScore_get_point(self)
16938 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16939 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"""
16940 return _IMP_core.DistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16942 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16943 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"""
16944 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16946 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16947 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"""
16948 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16950 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16951 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"""
16952 return _IMP_core.DistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16954 def get_version_info(self):
16955 r"""get_version_info(DistanceToSingletonScore self) -> VersionInfo"""
16956 return _IMP_core.DistanceToSingletonScore_get_version_info(self)
16957 __swig_destroy__ = _IMP_core.delete_DistanceToSingletonScore
16961 return _object_cast_to_DistanceToSingletonScore(o)
16964 def _get_as_binary(self):
16965 r"""_get_as_binary(DistanceToSingletonScore self) -> PyObject *"""
16966 return _IMP_core.DistanceToSingletonScore__get_as_binary(self)
16968 def _set_from_binary(self, p):
16969 r"""_set_from_binary(DistanceToSingletonScore self, PyObject * p)"""
16970 return _IMP_core.DistanceToSingletonScore__set_from_binary(self, p)
16972 def __getstate__(self):
16973 p = self._get_as_binary()
16974 if len(self.__dict__) > 1:
16975 d = self.__dict__.copy()
16980 def __setstate__(self, p):
16981 if not hasattr(self,
'this'):
16983 if isinstance(p, tuple):
16985 self.__dict__.update(d)
16986 return self._set_from_binary(p)
16989 def _get_jax(self, m, indexes):
16990 import jax.numpy
as jnp
16991 def score(jm, point, uf):
16992 xyzs = jm[
'xyz'][indexes]
16993 drs = jnp.linalg.norm(xyzs - point, axis=1)
16995 uf = self.get_unary_function().get_derived_object()
16996 f = functools.partial(score, point=jnp.array(self.get_point()),
16998 return self._wrap_jax(m, f)
17002 _IMP_core.DistanceToSingletonScore_swigregister(DistanceToSingletonScore)
17004 def create_distance_to_singleton_score(f, pt):
17005 r"""create_distance_to_singleton_score(UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore"""
17006 return _IMP_core.create_distance_to_singleton_score(f, pt)
17008 class SphereDistancePairScore(_SphereDistancePairScore.__bases__[0]):
17009 def __init__(self, uf):
17010 if isinstance(uf, HarmonicUpperBound):
17011 p = HarmonicUpperBoundSphereDistancePairScore(
17012 uf.get_mean(), uf.get_k())
17013 elif isinstance(uf, HarmonicLowerBound):
17014 if uf.get_mean() == 0.0:
17015 p = SoftSpherePairScore(uf.get_k())
17017 p = _SphereDistancePairScore(uf)
17018 elif isinstance(uf, Harmonic):
17019 p = HarmonicSphereDistancePairScore(
17020 uf.get_mean(), uf.get_k())
17022 p = _SphereDistancePairScore(uf)
17023 self.__dict__[
'_proxied'] = p
17024 def __getattr__(self, key):
17025 return getattr(self._proxied, key)
17026 def __setattr__(self, key, val):
17027 return setattr(self._proxied, key, val)
17029 def __getstate__(self):
17030 return self.__dict__[
'_proxied']
17032 def __setstate__(self, p):
17033 self.__dict__[
'_proxied'] = p
17035 def _get_jax(self, *args, **kwargs):
17036 return self._proxied._get_jax(*args, **kwargs)
17041 p = HarmonicUpperBoundSphereDistancePairScore.get_from(o)
17044 p = HarmonicSphereDistancePairScore.get_from(o)
17047 p = SoftSpherePairScore.get_from(o)
17049 p = _SphereDistancePairScore.get_from(o)
17050 obj = object.__new__(SphereDistancePairScore)
17051 obj.__dict__[
'_proxied'] = p
17057 CombineProvenance, FilterProvenance,
17058 ClusterProvenance, ScriptProvenance,
17059 SoftwareProvenance]):
17060 """Yield all provenance decorators of the given types for the particle.
17061 By default, all provenance types are returned. Provenance is returned
17062 in order, most recent first. If the particle has no provenance
17063 information, an empty generator is returned."""
17064 if Provenanced.get_is_setup(p):
17068 if c.get_is_setup(prov):
17070 prov = prov.get_previous()
17073 """Tag the given particle with the current Python script.
17074 This is a noop if the particle is already so tagged."""
17075 main = sys.modules[
'__main__']
17077 if not hasattr(main,
'__file__'):
17081 if prov.get_filename() == f:
17085 provp.set_name(
'script')
17086 prov = ScriptProvenance.setup_particle(provp, f)
17090 """Tag the given particle with the software used to create it.
17091 This is a noop if the particle is already so tagged."""
17093 if prov.get_software_name() == name
and prov.get_version() == version \
17094 and prov.get_location() == location:
17098 provp.set_name(
'software')
17099 prov = SoftwareProvenance.setup_particle(provp, name, version, location)
17103 """Tag the given particle as being created by the current version of IMP."""
17106 location=
"https://integrativemodeling.org")
17109 def get_module_name():
17110 r"""get_module_name() -> std::string const"""
17111 return _IMP_core.get_module_name()
17114 r"""get_module_version() -> std::string const"""
17115 return _IMP_core.get_module_version()
17118 r"""get_example_path(std::string fname) -> std::string"""
17119 return _IMP_core.get_example_path(fname)
17122 r"""get_data_path(std::string fname) -> std::string"""
17123 return _IMP_core.get_data_path(fname)
17125 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.