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(
"RigidClosePairsFinder")
846 def _object_cast_to_RigidClosePairsFinder(o):
847 r"""_object_cast_to_RigidClosePairsFinder(Object o) -> RigidClosePairsFinder"""
848 return _IMP_core._object_cast_to_RigidClosePairsFinder(o)
850 _object_types.append(
"RigidMembersRefiner")
853 def _object_cast_to_RigidMembersRefiner(o):
854 r"""_object_cast_to_RigidMembersRefiner(Object o) -> RigidMembersRefiner"""
855 return _IMP_core._object_cast_to_RigidMembersRefiner(o)
857 _object_types.append(
"SingletonConstraint")
860 def _object_cast_to_SingletonConstraint(o):
861 r"""_object_cast_to_SingletonConstraint(Object o) -> SingletonConstraint"""
862 return _IMP_core._object_cast_to_SingletonConstraint(o)
864 _object_types.append(
"SingletonRestraint")
867 def _object_cast_to_SingletonRestraint(o):
868 r"""_object_cast_to_SingletonRestraint(Object o) -> SingletonRestraint"""
869 return _IMP_core._object_cast_to_SingletonRestraint(o)
871 _object_types.append(
"SoftSpherePairScore")
874 def _object_cast_to_SoftSpherePairScore(o):
875 r"""_object_cast_to_SoftSpherePairScore(Object o) -> SoftSpherePairScore"""
876 return _IMP_core._object_cast_to_SoftSpherePairScore(o)
878 _object_types.append(
"_SphereDistancePairScore")
881 def _object_cast_to__SphereDistancePairScore(o):
882 r"""_object_cast_to__SphereDistancePairScore(Object o) -> _SphereDistancePairScore"""
883 return _IMP_core._object_cast_to__SphereDistancePairScore(o)
885 _object_types.append(
"SphereDistanceToSingletonScore")
888 def _object_cast_to_SphereDistanceToSingletonScore(o):
889 r"""_object_cast_to_SphereDistanceToSingletonScore(Object o) -> SphereDistanceToSingletonScore"""
890 return _IMP_core._object_cast_to_SphereDistanceToSingletonScore(o)
892 _object_types.append(
"SoftSubSurfacePairScore")
895 def _object_cast_to_SoftSubSurfacePairScore(o):
896 r"""_object_cast_to_SoftSubSurfacePairScore(Object o) -> SoftSubSurfacePairScore"""
897 return _IMP_core._object_cast_to_SoftSubSurfacePairScore(o)
899 _object_types.append(
"SoftSuperSurfacePairScore")
902 def _object_cast_to_SoftSuperSurfacePairScore(o):
903 r"""_object_cast_to_SoftSuperSurfacePairScore(Object o) -> SoftSuperSurfacePairScore"""
904 return _IMP_core._object_cast_to_SoftSuperSurfacePairScore(o)
906 _object_types.append(
"SurfaceDistancePairScore")
909 def _object_cast_to_SurfaceDistancePairScore(o):
910 r"""_object_cast_to_SurfaceDistancePairScore(Object o) -> SurfaceDistancePairScore"""
911 return _IMP_core._object_cast_to_SurfaceDistancePairScore(o)
913 _object_types.append(
"SurfaceHeightPairScore")
916 def _object_cast_to_SurfaceHeightPairScore(o):
917 r"""_object_cast_to_SurfaceHeightPairScore(Object o) -> SurfaceHeightPairScore"""
918 return _IMP_core._object_cast_to_SurfaceHeightPairScore(o)
920 _object_types.append(
"SurfaceDepthPairScore")
923 def _object_cast_to_SurfaceDepthPairScore(o):
924 r"""_object_cast_to_SurfaceDepthPairScore(Object o) -> SurfaceDepthPairScore"""
925 return _IMP_core._object_cast_to_SurfaceDepthPairScore(o)
927 _object_types.append(
"SurfaceTetheredChain")
930 def _object_cast_to_SurfaceTetheredChain(o):
931 r"""_object_cast_to_SurfaceTetheredChain(Object o) -> SurfaceTetheredChain"""
932 return _IMP_core._object_cast_to_SurfaceTetheredChain(o)
934 _object_types.append(
"SurfaceSymmetryConstraint")
937 def _object_cast_to_SurfaceSymmetryConstraint(o):
938 r"""_object_cast_to_SurfaceSymmetryConstraint(Object o) -> SurfaceSymmetryConstraint"""
939 return _IMP_core._object_cast_to_SurfaceSymmetryConstraint(o)
941 _object_types.append(
"SteepestDescent")
944 def _object_cast_to_SteepestDescent(o):
945 r"""_object_cast_to_SteepestDescent(Object o) -> SteepestDescent"""
946 return _IMP_core._object_cast_to_SteepestDescent(o)
948 _object_types.append(
"TableRefiner")
951 def _object_cast_to_TableRefiner(o):
952 r"""_object_cast_to_TableRefiner(Object o) -> TableRefiner"""
953 return _IMP_core._object_cast_to_TableRefiner(o)
955 _object_types.append(
"Transform")
958 def _object_cast_to_Transform(o):
959 r"""_object_cast_to_Transform(Object o) -> Transform"""
960 return _IMP_core._object_cast_to_Transform(o)
962 _object_types.append(
"TransformationAndReflectionSymmetry")
965 def _object_cast_to_TransformationAndReflectionSymmetry(o):
966 r"""_object_cast_to_TransformationAndReflectionSymmetry(Object o) -> TransformationAndReflectionSymmetry"""
967 return _IMP_core._object_cast_to_TransformationAndReflectionSymmetry(o)
969 _object_types.append(
"TransformationSymmetry")
972 def _object_cast_to_TransformationSymmetry(o):
973 r"""_object_cast_to_TransformationSymmetry(Object o) -> TransformationSymmetry"""
974 return _IMP_core._object_cast_to_TransformationSymmetry(o)
976 _object_types.append(
"TransformationSymmetryMover")
979 def _object_cast_to_TransformationSymmetryMover(o):
980 r"""_object_cast_to_TransformationSymmetryMover(Object o) -> TransformationSymmetryMover"""
981 return _IMP_core._object_cast_to_TransformationSymmetryMover(o)
983 _object_types.append(
"TransformedDistancePairScore")
986 def _object_cast_to_TransformedDistancePairScore(o):
987 r"""_object_cast_to_TransformedDistancePairScore(Object o) -> TransformedDistancePairScore"""
988 return _IMP_core._object_cast_to_TransformedDistancePairScore(o)
990 _object_types.append(
"TripletConstraint")
993 def _object_cast_to_TripletConstraint(o):
994 r"""_object_cast_to_TripletConstraint(Object o) -> TripletConstraint"""
995 return _IMP_core._object_cast_to_TripletConstraint(o)
997 _object_types.append(
"TripletRestraint")
1000 def _object_cast_to_TripletRestraint(o):
1001 r"""_object_cast_to_TripletRestraint(Object o) -> TripletRestraint"""
1002 return _IMP_core._object_cast_to_TripletRestraint(o)
1004 _object_types.append(
"TypedPairScore")
1007 def _object_cast_to_TypedPairScore(o):
1008 r"""_object_cast_to_TypedPairScore(Object o) -> TypedPairScore"""
1009 return _IMP_core._object_cast_to_TypedPairScore(o)
1011 _object_types.append(
"VolumeRestraint")
1014 def _object_cast_to_VolumeRestraint(o):
1015 r"""_object_cast_to_VolumeRestraint(Object o) -> VolumeRestraint"""
1016 return _IMP_core._object_cast_to_VolumeRestraint(o)
1018 _object_types.append(
"WeightedSphereDistancePairScore")
1021 def _object_cast_to_WeightedSphereDistancePairScore(o):
1022 r"""_object_cast_to_WeightedSphereDistancePairScore(Object o) -> WeightedSphereDistancePairScore"""
1023 return _IMP_core._object_cast_to_WeightedSphereDistancePairScore(o)
1025 _object_types.append(
"MoveStatisticsScoreState")
1028 def _object_cast_to_MoveStatisticsScoreState(o):
1029 r"""_object_cast_to_MoveStatisticsScoreState(Object o) -> MoveStatisticsScoreState"""
1030 return _IMP_core._object_cast_to_MoveStatisticsScoreState(o)
1032 _object_types.append(
"MinimumRestraint")
1035 def _object_cast_to_MinimumRestraint(o):
1036 r"""_object_cast_to_MinimumRestraint(Object o) -> MinimumRestraint"""
1037 return _IMP_core._object_cast_to_MinimumRestraint(o)
1039 _object_types.append(
"WriteRestraintScoresOptimizerState")
1042 def _object_cast_to_WriteRestraintScoresOptimizerState(o):
1043 r"""_object_cast_to_WriteRestraintScoresOptimizerState(Object o) -> WriteRestraintScoresOptimizerState"""
1044 return _IMP_core._object_cast_to_WriteRestraintScoresOptimizerState(o)
1046 _object_types.append(
"LateralSurfaceConstraint")
1049 def _object_cast_to_LateralSurfaceConstraint(o):
1050 r"""_object_cast_to_LateralSurfaceConstraint(Object o) -> LateralSurfaceConstraint"""
1051 return _IMP_core._object_cast_to_LateralSurfaceConstraint(o)
1053 _object_types.append(
"ConstantSingletonPredicate")
1056 def _object_cast_to_ConstantSingletonPredicate(o):
1057 r"""_object_cast_to_ConstantSingletonPredicate(Object o) -> ConstantSingletonPredicate"""
1058 return _IMP_core._object_cast_to_ConstantSingletonPredicate(o)
1060 _object_types.append(
"ConstantPairPredicate")
1063 def _object_cast_to_ConstantPairPredicate(o):
1064 r"""_object_cast_to_ConstantPairPredicate(Object o) -> ConstantPairPredicate"""
1065 return _IMP_core._object_cast_to_ConstantPairPredicate(o)
1067 _object_types.append(
"ConstantTripletPredicate")
1070 def _object_cast_to_ConstantTripletPredicate(o):
1071 r"""_object_cast_to_ConstantTripletPredicate(Object o) -> ConstantTripletPredicate"""
1072 return _IMP_core._object_cast_to_ConstantTripletPredicate(o)
1074 _object_types.append(
"ConstantQuadPredicate")
1077 def _object_cast_to_ConstantQuadPredicate(o):
1078 r"""_object_cast_to_ConstantQuadPredicate(Object o) -> ConstantQuadPredicate"""
1079 return _IMP_core._object_cast_to_ConstantQuadPredicate(o)
1081 _object_types.append(
"CoinFlipSingletonPredicate")
1084 def _object_cast_to_CoinFlipSingletonPredicate(o):
1085 r"""_object_cast_to_CoinFlipSingletonPredicate(Object o) -> CoinFlipSingletonPredicate"""
1086 return _IMP_core._object_cast_to_CoinFlipSingletonPredicate(o)
1088 _object_types.append(
"CoinFlipPairPredicate")
1091 def _object_cast_to_CoinFlipPairPredicate(o):
1092 r"""_object_cast_to_CoinFlipPairPredicate(Object o) -> CoinFlipPairPredicate"""
1093 return _IMP_core._object_cast_to_CoinFlipPairPredicate(o)
1095 _object_types.append(
"CoinFlipTripletPredicate")
1098 def _object_cast_to_CoinFlipTripletPredicate(o):
1099 r"""_object_cast_to_CoinFlipTripletPredicate(Object o) -> CoinFlipTripletPredicate"""
1100 return _IMP_core._object_cast_to_CoinFlipTripletPredicate(o)
1102 _object_types.append(
"CoinFlipQuadPredicate")
1105 def _object_cast_to_CoinFlipQuadPredicate(o):
1106 r"""_object_cast_to_CoinFlipQuadPredicate(Object o) -> CoinFlipQuadPredicate"""
1107 return _IMP_core._object_cast_to_CoinFlipQuadPredicate(o)
1109 _object_types.append(
"UnorderedTypeSingletonPredicate")
1112 def _object_cast_to_UnorderedTypeSingletonPredicate(o):
1113 r"""_object_cast_to_UnorderedTypeSingletonPredicate(Object o) -> UnorderedTypeSingletonPredicate"""
1114 return _IMP_core._object_cast_to_UnorderedTypeSingletonPredicate(o)
1116 _object_types.append(
"UnorderedTypePairPredicate")
1119 def _object_cast_to_UnorderedTypePairPredicate(o):
1120 r"""_object_cast_to_UnorderedTypePairPredicate(Object o) -> UnorderedTypePairPredicate"""
1121 return _IMP_core._object_cast_to_UnorderedTypePairPredicate(o)
1123 _object_types.append(
"UnorderedTypeTripletPredicate")
1126 def _object_cast_to_UnorderedTypeTripletPredicate(o):
1127 r"""_object_cast_to_UnorderedTypeTripletPredicate(Object o) -> UnorderedTypeTripletPredicate"""
1128 return _IMP_core._object_cast_to_UnorderedTypeTripletPredicate(o)
1130 _object_types.append(
"UnorderedTypeQuadPredicate")
1133 def _object_cast_to_UnorderedTypeQuadPredicate(o):
1134 r"""_object_cast_to_UnorderedTypeQuadPredicate(Object o) -> UnorderedTypeQuadPredicate"""
1135 return _IMP_core._object_cast_to_UnorderedTypeQuadPredicate(o)
1137 _object_types.append(
"OrderedTypeSingletonPredicate")
1140 def _object_cast_to_OrderedTypeSingletonPredicate(o):
1141 r"""_object_cast_to_OrderedTypeSingletonPredicate(Object o) -> OrderedTypeSingletonPredicate"""
1142 return _IMP_core._object_cast_to_OrderedTypeSingletonPredicate(o)
1144 _object_types.append(
"OrderedTypePairPredicate")
1147 def _object_cast_to_OrderedTypePairPredicate(o):
1148 r"""_object_cast_to_OrderedTypePairPredicate(Object o) -> OrderedTypePairPredicate"""
1149 return _IMP_core._object_cast_to_OrderedTypePairPredicate(o)
1151 _object_types.append(
"OrderedTypeTripletPredicate")
1154 def _object_cast_to_OrderedTypeTripletPredicate(o):
1155 r"""_object_cast_to_OrderedTypeTripletPredicate(Object o) -> OrderedTypeTripletPredicate"""
1156 return _IMP_core._object_cast_to_OrderedTypeTripletPredicate(o)
1158 _object_types.append(
"OrderedTypeQuadPredicate")
1161 def _object_cast_to_OrderedTypeQuadPredicate(o):
1162 r"""_object_cast_to_OrderedTypeQuadPredicate(Object o) -> OrderedTypeQuadPredicate"""
1163 return _IMP_core._object_cast_to_OrderedTypeQuadPredicate(o)
1165 _object_types.append(
"AllSameSingletonPredicate")
1168 def _object_cast_to_AllSameSingletonPredicate(o):
1169 r"""_object_cast_to_AllSameSingletonPredicate(Object o) -> AllSameSingletonPredicate"""
1170 return _IMP_core._object_cast_to_AllSameSingletonPredicate(o)
1172 _object_types.append(
"AllSamePairPredicate")
1175 def _object_cast_to_AllSamePairPredicate(o):
1176 r"""_object_cast_to_AllSamePairPredicate(Object o) -> AllSamePairPredicate"""
1177 return _IMP_core._object_cast_to_AllSamePairPredicate(o)
1179 _object_types.append(
"AllSameTripletPredicate")
1182 def _object_cast_to_AllSameTripletPredicate(o):
1183 r"""_object_cast_to_AllSameTripletPredicate(Object o) -> AllSameTripletPredicate"""
1184 return _IMP_core._object_cast_to_AllSameTripletPredicate(o)
1186 _object_types.append(
"AllSameQuadPredicate")
1189 def _object_cast_to_AllSameQuadPredicate(o):
1190 r"""_object_cast_to_AllSameQuadPredicate(Object o) -> AllSameQuadPredicate"""
1191 return _IMP_core._object_cast_to_AllSameQuadPredicate(o)
1194 return [XYZ(x)
for x
in l]
1195 _plural_types.append(
"XYZs")
1198 _value_types.append(
"XYZ")
1202 return [XYZR(x)
for x
in l]
1203 _plural_types.append(
"XYZRs")
1206 _value_types.append(
"XYZR")
1209 def RigidBodies(l=[]):
1210 return [RigidBody(x)
for x
in l]
1211 _plural_types.append(
"RigidBodies")
1214 _value_types.append(
"RigidBody")
1217 def RigidBodyMembers(l=[]):
1218 return [RigidBodyMember(x)
for x
in l]
1219 _plural_types.append(
"RigidBodyMembers")
1222 _value_types.append(
"RigidBodyMember")
1225 def RigidMembers(l=[]):
1226 return [RigidMember(x)
for x
in l]
1227 _plural_types.append(
"RigidMembers")
1230 _value_types.append(
"RigidMember")
1233 def NonRigidMembers(l=[]):
1234 return [NonRigidMember(x)
for x
in l]
1235 _plural_types.append(
"NonRigidMembers")
1238 _value_types.append(
"NonRigidMember")
1241 def Centroids(l=[]):
1242 return [Centroid(x)
for x
in l]
1243 _plural_types.append(
"Centroids")
1246 _value_types.append(
"Centroid")
1250 return [Cover(x)
for x
in l]
1251 _plural_types.append(
"Covers")
1254 _value_types.append(
"Cover")
1257 def References(l=[]):
1258 return [Reference(x)
for x
in l]
1259 _plural_types.append(
"References")
1262 _value_types.append(
"Reference")
1266 _plural_types.append(
"ParticleTypes")
1267 _value_types.append(
"ParticleType")
1271 return [Typed(x)
for x
in l]
1272 _plural_types.append(
"Typeds")
1275 _value_types.append(
"Typed")
1278 def GenericHierarchies(l=[]):
1279 return [Hierarchy(x)
for x
in l]
1280 _plural_types.append(
"GenericHierarchies")
1283 _value_types.append(
"Hierarchy")
1286 def Gaussians(l=[]):
1287 return [Gaussian(x)
for x
in l]
1288 _plural_types.append(
"Gaussians")
1291 _value_types.append(
"Gaussian")
1294 def Directions(l=[]):
1295 return [Direction(x)
for x
in l]
1296 _plural_types.append(
"Directions")
1299 _value_types.append(
"Direction")
1302 def DirectionAngles(l=[]):
1303 return [DirectionAngle(x)
for x
in l]
1304 _plural_types.append(
"DirectionAngles")
1307 _value_types.append(
"DirectionAngle")
1311 return [Surface(x)
for x
in l]
1312 _plural_types.append(
"Surfaces")
1315 _value_types.append(
"Surface")
1318 def Provenances(l=[]):
1319 return [Provenance(x)
for x
in l]
1320 _plural_types.append(
"Provenances")
1323 _value_types.append(
"Provenance")
1326 def StructureProvenances(l=[]):
1327 return [StructureProvenance(x)
for x
in l]
1328 _plural_types.append(
"StructureProvenances")
1331 _value_types.append(
"StructureProvenance")
1334 def SampleProvenances(l=[]):
1335 return [SampleProvenance(x)
for x
in l]
1336 _plural_types.append(
"SampleProvenances")
1339 _value_types.append(
"SampleProvenance")
1342 def ClusterProvenances(l=[]):
1343 return [ClusterProvenance(x)
for x
in l]
1344 _plural_types.append(
"ClusterProvenances")
1347 _value_types.append(
"ClusterProvenance")
1350 def CombineProvenances(l=[]):
1351 return [CombineProvenance(x)
for x
in l]
1352 _plural_types.append(
"CombineProvenances")
1355 _value_types.append(
"CombineProvenance")
1358 def FilterProvenances(l=[]):
1359 return [FilterProvenance(x)
for x
in l]
1360 _plural_types.append(
"FilterProvenances")
1363 _value_types.append(
"FilterProvenance")
1366 def ScriptProvenances(l=[]):
1367 return [ScriptProvenance(x)
for x
in l]
1368 _plural_types.append(
"ScriptProvenances")
1371 _value_types.append(
"ScriptProvenance")
1374 def SoftwareProvenances(l=[]):
1375 return [SoftwareProvenance(x)
for x
in l]
1376 _plural_types.append(
"SoftwareProvenances")
1379 _value_types.append(
"SoftwareProvenance")
1382 def Provenanceds(l=[]):
1383 return [Provenanced(x)
for x
in l]
1384 _plural_types.append(
"Provenanceds")
1387 _value_types.append(
"Provenanced")
1390 HierarchyCounters=list
1391 _plural_types.append(
"HierarchyCounters")
1392 _value_types.append(
"HierarchyCounter")
1395 HierarchyTraitsList=list
1396 _plural_types.append(
"HierarchyTraitsList")
1397 _value_types.append(
"HierarchyTraits")
1400 _object_types.append(
"TruncatedHarmonicBound")
1403 def _object_cast_to_TruncatedHarmonicBound(o):
1404 r"""_object_cast_to_TruncatedHarmonicBound(Object o) -> TruncatedHarmonicBound"""
1405 return _IMP_core._object_cast_to_TruncatedHarmonicBound(o)
1407 _object_types.append(
"TruncatedHarmonicLowerBound")
1410 def _object_cast_to_TruncatedHarmonicLowerBound(o):
1411 r"""_object_cast_to_TruncatedHarmonicLowerBound(Object o) -> TruncatedHarmonicLowerBound"""
1412 return _IMP_core._object_cast_to_TruncatedHarmonicLowerBound(o)
1414 _object_types.append(
"TruncatedHarmonicUpperBound")
1417 def _object_cast_to_TruncatedHarmonicUpperBound(o):
1418 r"""_object_cast_to_TruncatedHarmonicUpperBound(Object o) -> TruncatedHarmonicUpperBound"""
1419 return _IMP_core._object_cast_to_TruncatedHarmonicUpperBound(o)
1421 _object_types.append(
"HarmonicDistancePairScore")
1424 def _object_cast_to_HarmonicDistancePairScore(o):
1425 r"""_object_cast_to_HarmonicDistancePairScore(Object o) -> HarmonicDistancePairScore"""
1426 return _IMP_core._object_cast_to_HarmonicDistancePairScore(o)
1428 _object_types.append(
"DistancePairScore")
1431 def _object_cast_to_DistancePairScore(o):
1432 r"""_object_cast_to_DistancePairScore(Object o) -> DistancePairScore"""
1433 return _IMP_core._object_cast_to_DistancePairScore(o)
1435 _object_types.append(
"XYZRGeometry")
1438 def _object_cast_to_XYZRGeometry(o):
1439 r"""_object_cast_to_XYZRGeometry(Object o) -> XYZRGeometry"""
1440 return _IMP_core._object_cast_to_XYZRGeometry(o)
1442 _object_types.append(
"XYZRsGeometry")
1445 def _object_cast_to_XYZRsGeometry(o):
1446 r"""_object_cast_to_XYZRsGeometry(Object o) -> XYZRsGeometry"""
1447 return _IMP_core._object_cast_to_XYZRsGeometry(o)
1449 _object_types.append(
"XYZDerivativeGeometry")
1452 def _object_cast_to_XYZDerivativeGeometry(o):
1453 r"""_object_cast_to_XYZDerivativeGeometry(Object o) -> XYZDerivativeGeometry"""
1454 return _IMP_core._object_cast_to_XYZDerivativeGeometry(o)
1456 _object_types.append(
"XYZDerivativesGeometry")
1459 def _object_cast_to_XYZDerivativesGeometry(o):
1460 r"""_object_cast_to_XYZDerivativesGeometry(Object o) -> XYZDerivativesGeometry"""
1461 return _IMP_core._object_cast_to_XYZDerivativesGeometry(o)
1463 _object_types.append(
"RigidBodyDerivativeGeometry")
1466 def _object_cast_to_RigidBodyDerivativeGeometry(o):
1467 r"""_object_cast_to_RigidBodyDerivativeGeometry(Object o) -> RigidBodyDerivativeGeometry"""
1468 return _IMP_core._object_cast_to_RigidBodyDerivativeGeometry(o)
1470 _object_types.append(
"RigidBodyDerivativesGeometry")
1473 def _object_cast_to_RigidBodyDerivativesGeometry(o):
1474 r"""_object_cast_to_RigidBodyDerivativesGeometry(Object o) -> RigidBodyDerivativesGeometry"""
1475 return _IMP_core._object_cast_to_RigidBodyDerivativesGeometry(o)
1477 _object_types.append(
"RigidBodyHierarchyGeometry")
1480 def _object_cast_to_RigidBodyHierarchyGeometry(o):
1481 r"""_object_cast_to_RigidBodyHierarchyGeometry(Object o) -> RigidBodyHierarchyGeometry"""
1482 return _IMP_core._object_cast_to_RigidBodyHierarchyGeometry(o)
1484 _object_types.append(
"RigidBodyFrameGeometry")
1487 def _object_cast_to_RigidBodyFrameGeometry(o):
1488 r"""_object_cast_to_RigidBodyFrameGeometry(Object o) -> RigidBodyFrameGeometry"""
1489 return _IMP_core._object_cast_to_RigidBodyFrameGeometry(o)
1491 _object_types.append(
"RigidBodyFramesGeometry")
1494 def _object_cast_to_RigidBodyFramesGeometry(o):
1495 r"""_object_cast_to_RigidBodyFramesGeometry(Object o) -> RigidBodyFramesGeometry"""
1496 return _IMP_core._object_cast_to_RigidBodyFramesGeometry(o)
1498 _object_types.append(
"RigidBodyTorque")
1501 def _object_cast_to_RigidBodyTorque(o):
1502 r"""_object_cast_to_RigidBodyTorque(Object o) -> RigidBodyTorque"""
1503 return _IMP_core._object_cast_to_RigidBodyTorque(o)
1505 _object_types.append(
"EdgePairGeometry")
1508 def _object_cast_to_EdgePairGeometry(o):
1509 r"""_object_cast_to_EdgePairGeometry(Object o) -> EdgePairGeometry"""
1510 return _IMP_core._object_cast_to_EdgePairGeometry(o)
1512 _object_types.append(
"EdgePairsGeometry")
1515 def _object_cast_to_EdgePairsGeometry(o):
1516 r"""_object_cast_to_EdgePairsGeometry(Object o) -> EdgePairsGeometry"""
1517 return _IMP_core._object_cast_to_EdgePairsGeometry(o)
1519 _object_types.append(
"SurfaceGeometry")
1522 def _object_cast_to_SurfaceGeometry(o):
1523 r"""_object_cast_to_SurfaceGeometry(Object o) -> SurfaceGeometry"""
1524 return _IMP_core._object_cast_to_SurfaceGeometry(o)
1526 _object_types.append(
"SurfaceGeometryConstraint")
1529 def _object_cast_to_SurfaceGeometryConstraint(o):
1530 r"""_object_cast_to_SurfaceGeometryConstraint(Object o) -> SurfaceGeometryConstraint"""
1531 return _IMP_core._object_cast_to_SurfaceGeometryConstraint(o)
1533 _object_types.append(
"AttributeSingletonPredicate")
1536 def _object_cast_to_AttributeSingletonPredicate(o):
1537 r"""_object_cast_to_AttributeSingletonPredicate(Object o) -> AttributeSingletonPredicate"""
1538 return _IMP_core._object_cast_to_AttributeSingletonPredicate(o)
1540 _object_types.append(
"InBoundingBox3DSingletonPredicate")
1543 def _object_cast_to_InBoundingBox3DSingletonPredicate(o):
1544 r"""_object_cast_to_InBoundingBox3DSingletonPredicate(Object o) -> InBoundingBox3DSingletonPredicate"""
1545 return _IMP_core._object_cast_to_InBoundingBox3DSingletonPredicate(o)
1547 _object_types.append(
"IsCollisionPairPredicate")
1550 def _object_cast_to_IsCollisionPairPredicate(o):
1551 r"""_object_cast_to_IsCollisionPairPredicate(Object o) -> IsCollisionPairPredicate"""
1552 return _IMP_core._object_cast_to_IsCollisionPairPredicate(o)
1554 BinormalTermList=list
1555 _plural_types.append(
"BinormalTermList")
1556 _value_types.append(
"BinormalTerm")
1559 _object_types.append(
"MultipleBinormalRestraint")
1562 def _object_cast_to_MultipleBinormalRestraint(o):
1563 r"""_object_cast_to_MultipleBinormalRestraint(Object o) -> MultipleBinormalRestraint"""
1564 return _IMP_core._object_cast_to_MultipleBinormalRestraint(o)
1565 class ClosePairsFinder(IMP._ParticleInputs,
IMP.Object):
1566 r"""Proxy of C++ IMP::core::ClosePairsFinder class."""
1568 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1570 def __init__(self, *args, **kwargs):
1571 raise AttributeError(
"No constructor defined - class is abstract")
1572 __swig_destroy__ = _IMP_core.delete_ClosePairsFinder
1574 def get_close_pairs(self, *args):
1576 get_close_pairs(ClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
1577 get_close_pairs(ClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
1578 get_close_pairs(ClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
1579 get_close_pairs(ClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
1581 return _IMP_core.ClosePairsFinder_get_close_pairs(self, *args)
1583 def set_distance(self, d):
1584 r"""set_distance(ClosePairsFinder self, double d)"""
1585 return _IMP_core.ClosePairsFinder_set_distance(self, d)
1588 r"""get_distance(ClosePairsFinder self) -> double"""
1589 return _IMP_core.ClosePairsFinder_get_distance(self)
1590 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)
1591 def __set_pair_filters(self, obj): IMP._list_util.set_varlist(self.pair_filters, obj)
1592 def __del_pair_filters(self): IMP._list_util.del_varlist(self.pair_filters)
1593 pair_filters = property(__get_pair_filters, __set_pair_filters, __del_pair_filters, doc=
"List of ##ucnames")
1595 def remove_pair_filter(self, d):
1596 r"""remove_pair_filter(ClosePairsFinder self, PairPredicate d)"""
1597 return _IMP_core.ClosePairsFinder_remove_pair_filter(self, d)
1599 def _python_index_pair_filter(self, d, start, stop):
1600 r"""_python_index_pair_filter(ClosePairsFinder self, PairPredicate d, unsigned int start, unsigned int stop) -> unsigned int"""
1601 return _IMP_core.ClosePairsFinder__python_index_pair_filter(self, d, start, stop)
1603 def remove_pair_filters(self, d):
1604 r"""remove_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & d)"""
1605 return _IMP_core.ClosePairsFinder_remove_pair_filters(self, d)
1607 def set_pair_filters(self, ps):
1608 r"""set_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & ps)"""
1609 return _IMP_core.ClosePairsFinder_set_pair_filters(self, ps)
1611 def set_pair_filters_order(self, objs):
1612 r"""set_pair_filters_order(ClosePairsFinder self, IMP::PairPredicates const & objs)"""
1613 return _IMP_core.ClosePairsFinder_set_pair_filters_order(self, objs)
1615 def add_pair_filter(self, obj):
1616 r"""add_pair_filter(ClosePairsFinder self, PairPredicate obj) -> unsigned int"""
1617 return _IMP_core.ClosePairsFinder_add_pair_filter(self, obj)
1619 def add_pair_filters(self, objs):
1620 r"""add_pair_filters(ClosePairsFinder self, IMP::PairPredicates const & objs)"""
1621 return _IMP_core.ClosePairsFinder_add_pair_filters(self, objs)
1623 def clear_pair_filters(self):
1624 r"""clear_pair_filters(ClosePairsFinder self)"""
1625 return _IMP_core.ClosePairsFinder_clear_pair_filters(self)
1627 def get_number_of_pair_filters(self):
1628 r"""get_number_of_pair_filters(ClosePairsFinder self) -> unsigned int"""
1629 return _IMP_core.ClosePairsFinder_get_number_of_pair_filters(self)
1631 def get_has_pair_filters(self):
1632 r"""get_has_pair_filters(ClosePairsFinder self) -> bool"""
1633 return _IMP_core.ClosePairsFinder_get_has_pair_filters(self)
1635 def get_pair_filter(self, i):
1636 r"""get_pair_filter(ClosePairsFinder self, unsigned int i) -> PairPredicate"""
1637 return _IMP_core.ClosePairsFinder_get_pair_filter(self, i)
1639 def get_pair_filters(self):
1640 r"""get_pair_filters(ClosePairsFinder self) -> IMP::PairPredicates"""
1641 return _IMP_core.ClosePairsFinder_get_pair_filters(self)
1643 def erase_pair_filter(self, i):
1644 r"""erase_pair_filter(ClosePairsFinder self, unsigned int i)"""
1645 return _IMP_core.ClosePairsFinder_erase_pair_filter(self, i)
1647 def reserve_pair_filters(self, sz):
1648 r"""reserve_pair_filters(ClosePairsFinder self, unsigned int sz)"""
1649 return _IMP_core.ClosePairsFinder_reserve_pair_filters(self, sz)
1652 r"""__str__(ClosePairsFinder self) -> std::string"""
1653 return _IMP_core.ClosePairsFinder___str__(self)
1656 r"""__repr__(ClosePairsFinder self) -> std::string"""
1657 return _IMP_core.ClosePairsFinder___repr__(self)
1661 return _object_cast_to_ClosePairsFinder(o)
1665 _IMP_core.ClosePairsFinder_swigregister(ClosePairsFinder)
1666 class MonteCarloMoverResult(IMP._Value):
1667 r"""Proxy of C++ IMP::core::MonteCarloMoverResult class."""
1669 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1671 def __init__(self, *args):
1672 r"""__init__(MonteCarloMoverResult self, IMP::ParticleIndexes i0=IMP::ParticleIndexes(), double i1=double()) -> MonteCarloMoverResult"""
1673 _IMP_core.MonteCarloMoverResult_swiginit(self, _IMP_core.new_MonteCarloMoverResult(*args))
1676 r"""__hash__(MonteCarloMoverResult self) -> std::size_t"""
1677 return _IMP_core.MonteCarloMoverResult___hash__(self)
1679 def show(self, *args):
1680 r"""show(MonteCarloMoverResult self, _ostream out=std::cout)"""
1681 return _IMP_core.MonteCarloMoverResult_show(self, *args)
1683 def __cmp__(self, o):
1684 r"""__cmp__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> int"""
1685 return _IMP_core.MonteCarloMoverResult___cmp__(self, o)
1687 def __eq__(self, o):
1688 r"""__eq__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1689 return _IMP_core.MonteCarloMoverResult___eq__(self, o)
1691 def __ne__(self, o):
1692 r"""__ne__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1693 return _IMP_core.MonteCarloMoverResult___ne__(self, o)
1695 def __lt__(self, o):
1696 r"""__lt__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1697 return _IMP_core.MonteCarloMoverResult___lt__(self, o)
1699 def __gt__(self, o):
1700 r"""__gt__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1701 return _IMP_core.MonteCarloMoverResult___gt__(self, o)
1703 def __ge__(self, o):
1704 r"""__ge__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1705 return _IMP_core.MonteCarloMoverResult___ge__(self, o)
1707 def __le__(self, o):
1708 r"""__le__(MonteCarloMoverResult self, MonteCarloMoverResult o) -> bool"""
1709 return _IMP_core.MonteCarloMoverResult___le__(self, o)
1711 def get_moved_particles(self):
1712 r"""get_moved_particles(MonteCarloMoverResult self) -> IMP::ParticleIndexes const &"""
1713 return _IMP_core.MonteCarloMoverResult_get_moved_particles(self)
1715 def set_moved_particles(self, v):
1716 r"""set_moved_particles(MonteCarloMoverResult self, IMP::ParticleIndexes const & v)"""
1717 return _IMP_core.MonteCarloMoverResult_set_moved_particles(self, v)
1719 def get_proposal_ratio(self):
1720 r"""get_proposal_ratio(MonteCarloMoverResult self) -> double const &"""
1721 return _IMP_core.MonteCarloMoverResult_get_proposal_ratio(self)
1723 def set_proposal_ratio(self, v):
1724 r"""set_proposal_ratio(MonteCarloMoverResult self, double const & v)"""
1725 return _IMP_core.MonteCarloMoverResult_set_proposal_ratio(self, v)
1728 r"""__str__(MonteCarloMoverResult self) -> std::string"""
1729 return _IMP_core.MonteCarloMoverResult___str__(self)
1732 r"""__repr__(MonteCarloMoverResult self) -> std::string"""
1733 return _IMP_core.MonteCarloMoverResult___repr__(self)
1734 __swig_destroy__ = _IMP_core.delete_MonteCarloMoverResult
1737 _IMP_core.MonteCarloMoverResult_swigregister(MonteCarloMoverResult)
1739 r"""Proxy of C++ IMP::core::MonteCarloMover class."""
1741 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1743 def __init__(self, *args):
1745 __init__(MonteCarloMover self, Model m, std::string name) -> MonteCarloMover
1746 __init__(MonteCarloMover self) -> MonteCarloMover
1748 if self.__class__ == MonteCarloMover:
1752 _IMP_core.MonteCarloMover_swiginit(self, _IMP_core.new_MonteCarloMover(_self, *args))
1754 if self.__class__ != MonteCarloMover:
1755 _director_objects.register(self)
1761 r"""propose(MonteCarloMover self) -> MonteCarloMoverResult"""
1762 return _IMP_core.MonteCarloMover_propose(self)
1765 r"""reject(MonteCarloMover self)"""
1766 return _IMP_core.MonteCarloMover_reject(self)
1769 r"""accept(MonteCarloMover self)"""
1770 return _IMP_core.MonteCarloMover_accept(self)
1772 def get_number_of_proposed(self):
1773 r"""get_number_of_proposed(MonteCarloMover self) -> unsigned int"""
1774 return _IMP_core.MonteCarloMover_get_number_of_proposed(self)
1776 def get_number_of_accepted(self):
1777 r"""get_number_of_accepted(MonteCarloMover self) -> unsigned int"""
1778 return _IMP_core.MonteCarloMover_get_number_of_accepted(self)
1780 def reset_statistics(self):
1781 r"""reset_statistics(MonteCarloMover self)"""
1782 return _IMP_core.MonteCarloMover_reset_statistics(self)
1784 def do_propose(self):
1785 r"""do_propose(MonteCarloMover self) -> MonteCarloMoverResult"""
1786 return _IMP_core.MonteCarloMover_do_propose(self)
1788 def do_reject(self):
1789 r"""do_reject(MonteCarloMover self)"""
1790 return _IMP_core.MonteCarloMover_do_reject(self)
1792 def do_accept(self):
1793 r"""do_accept(MonteCarloMover self)"""
1794 return _IMP_core.MonteCarloMover_do_accept(self)
1796 def do_get_outputs(self):
1797 r"""do_get_outputs(MonteCarloMover self) -> IMP::ModelObjectsTemp"""
1798 return _IMP_core.MonteCarloMover_do_get_outputs(self)
1801 r"""__str__(MonteCarloMover self) -> std::string"""
1802 return _IMP_core.MonteCarloMover___str__(self)
1805 r"""__repr__(MonteCarloMover self) -> std::string"""
1806 return _IMP_core.MonteCarloMover___repr__(self)
1810 return _object_cast_to_MonteCarloMover(o)
1813 def do_show(self, out):
1818 return _object_cast_to_MonteCarloMover(o)
1822 """Return a JAX implementation of this mover.
1823 Implement this method in a MonteCarloMover subclass to provide
1824 equivalent functionality using [JAX](https://docs.jax.dev/).
1825 See _wrap_jax for more information.
1827 raise NotImplementedError(f
"No JAX implementation for {self}")
1829 def _wrap_jax(self, init_func, propose_func):
1830 """Create the return value for _get_jax.
1831 Use this method in _get_jax() to wrap the JAX functions
1832 with other mover-specific information.
1834 @param init_func a JAX function which is used to initialize this
1835 mover. It is called with a single argument, a fresh JAX
1836 random key, and should return a persistent state object.
1837 This object may be the key itself, or any other Python object
1838 that JAX understands.
1839 @param propose_func a JAX function which is called with the current
1840 JAX Model and the mover's persistent state object.
1841 It should return a new JAX Model with the move applied,
1842 a new persistent state, and the proposal ratio. If the move
1843 is rejected then the new JAX Model will be discarded.
1844 However, the mover's persistent state is updated for both
1845 accepted and rejected moves.
1847 from IMP.core._jax_util
import JAXMoverInfo
1848 return JAXMoverInfo(init_func, propose_func)
1850 __swig_destroy__ = _IMP_core.delete_MonteCarloMover
1851 def __disown__(self):
1853 _IMP_core.disown_MonteCarloMover(self)
1854 return weakref.proxy(self)
1856 def do_destroy(self):
1857 r"""do_destroy(MonteCarloMover self)"""
1858 return _IMP_core.MonteCarloMover_do_destroy(self)
1860 def handle_set_has_required_score_states(self, arg0):
1861 r"""handle_set_has_required_score_states(MonteCarloMover self, bool arg0)"""
1862 return _IMP_core.MonteCarloMover_handle_set_has_required_score_states(self, arg0)
1864 def do_get_inputs(self):
1865 r"""do_get_inputs(MonteCarloMover self) -> IMP::ModelObjectsTemp"""
1866 return _IMP_core.MonteCarloMover_do_get_inputs(self)
1868 def do_get_interactions(self):
1869 r"""do_get_interactions(MonteCarloMover self) -> IMP::ModelObjectsTemps"""
1870 return _IMP_core.MonteCarloMover_do_get_interactions(self)
1873 _IMP_core.MonteCarloMover_swigregister(MonteCarloMover)
1875 r"""Proxy of C++ IMP::core::XYZ class."""
1877 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1880 def get_coordinate_key(i):
1881 r"""get_coordinate_key(unsigned int i) -> FloatKey"""
1882 return _IMP_core.XYZ_get_coordinate_key(i)
1884 def __init__(self, *args):
1886 __init__(XYZ self) -> XYZ
1887 __init__(XYZ self, Model m, ParticleIndex id) -> XYZ
1888 __init__(XYZ self, _ParticleAdaptor d) -> XYZ
1890 _IMP_core.XYZ_swiginit(self, _IMP_core.new_XYZ(*args))
1892 def show(self, *args):
1893 r"""show(XYZ self, _ostream out=std::cout)"""
1894 return _IMP_core.XYZ_show(self, *args)
1897 def setup_particle(*args):
1899 setup_particle(Model m, ParticleIndex pi) -> XYZ
1900 setup_particle(_ParticleAdaptor pa) -> XYZ
1901 setup_particle(Model m, ParticleIndex pi, Vector3D v) -> XYZ
1902 setup_particle(_ParticleAdaptor pa, Vector3D v) -> XYZ
1904 return _IMP_core.XYZ_setup_particle(*args)
1907 r"""get_x(XYZ self) -> IMP::Float"""
1908 return _IMP_core.XYZ_get_x(self)
1911 r"""set_x(XYZ self, IMP::Float t)"""
1912 return _IMP_core.XYZ_set_x(self, t)
1915 r"""get_y(XYZ self) -> IMP::Float"""
1916 return _IMP_core.XYZ_get_y(self)
1919 r"""set_y(XYZ self, IMP::Float t)"""
1920 return _IMP_core.XYZ_set_y(self, t)
1923 r"""get_z(XYZ self) -> IMP::Float"""
1924 return _IMP_core.XYZ_get_z(self)
1927 r"""set_z(XYZ self, IMP::Float t)"""
1928 return _IMP_core.XYZ_set_z(self, t)
1930 def set_coordinate(self, i, v):
1931 r"""set_coordinate(XYZ self, unsigned int i, IMP::Float v)"""
1932 return _IMP_core.XYZ_set_coordinate(self, i, v)
1934 def set_coordinates(self, v):
1935 r"""set_coordinates(XYZ self, Vector3D v)"""
1936 return _IMP_core.XYZ_set_coordinates(self, v)
1938 def get_coordinate(self, i):
1939 r"""get_coordinate(XYZ self, int i) -> IMP::Float"""
1940 return _IMP_core.XYZ_get_coordinate(self, i)
1942 def add_to_derivatives(self, v, d):
1943 r"""add_to_derivatives(XYZ self, Vector3D v, DerivativeAccumulator d)"""
1944 return _IMP_core.XYZ_add_to_derivatives(self, v, d)
1946 def get_coordinates_are_optimized(self):
1947 r"""get_coordinates_are_optimized(XYZ self) -> bool"""
1948 return _IMP_core.XYZ_get_coordinates_are_optimized(self)
1950 def set_coordinates_are_optimized(self, tf):
1951 r"""set_coordinates_are_optimized(XYZ self, bool tf)"""
1952 return _IMP_core.XYZ_set_coordinates_are_optimized(self, tf)
1954 def get_vector_to(self, b):
1955 r"""get_vector_to(XYZ self, XYZ b) -> Vector3D"""
1956 return _IMP_core.XYZ_get_vector_to(self, b)
1958 def get_coordinates(self):
1959 r"""get_coordinates(XYZ self) -> Vector3D"""
1960 return _IMP_core.XYZ_get_coordinates(self)
1962 def get_derivatives(self):
1963 r"""get_derivatives(XYZ self) -> Vector3D"""
1964 return _IMP_core.XYZ_get_derivatives(self)
1967 def get_is_setup(*args):
1969 get_is_setup(_ParticleAdaptor p) -> bool
1970 get_is_setup(Model m, ParticleIndex pi) -> bool
1972 return _IMP_core.XYZ_get_is_setup(*args)
1976 r"""get_xyz_keys() -> IMP::FloatKeys const &"""
1977 return _IMP_core.XYZ_get_xyz_keys()
1979 def add_attribute(self, *args):
1981 add_attribute(XYZ self, FloatKey k, IMP::Float v, bool opt)
1982 add_attribute(XYZ self, FloatKey a0, IMP::Float a1)
1983 add_attribute(XYZ self, IntKey a0, IMP::Int a1)
1984 add_attribute(XYZ self, FloatsKey a0, IMP::Floats a1)
1985 add_attribute(XYZ self, IntsKey a0, IMP::Ints a1)
1986 add_attribute(XYZ self, StringKey a0, IMP::String a1)
1987 add_attribute(XYZ self, ParticleIndexKey a0, Particle a1)
1988 add_attribute(XYZ self, ObjectKey a0, Object a1)
1989 add_attribute(XYZ self, SparseFloatKey a0, IMP::Float a1)
1990 add_attribute(XYZ self, SparseIntKey a0, IMP::Int a1)
1991 add_attribute(XYZ self, SparseStringKey a0, IMP::String a1)
1992 add_attribute(XYZ self, SparseParticleIndexKey a0, ParticleIndex a1)
1994 return _IMP_core.XYZ_add_attribute(self, *args)
1996 def get_value(self, *args):
1998 get_value(XYZ self, FloatKey a0) -> IMP::Float
1999 get_value(XYZ self, IntKey a0) -> IMP::Int
2000 get_value(XYZ self, FloatsKey a0) -> IMP::Floats
2001 get_value(XYZ self, IntsKey a0) -> IMP::Ints
2002 get_value(XYZ self, StringKey a0) -> IMP::String
2003 get_value(XYZ self, ParticleIndexKey a0) -> Particle
2004 get_value(XYZ self, ObjectKey a0) -> Object
2005 get_value(XYZ self, SparseFloatKey a0) -> IMP::Float
2006 get_value(XYZ self, SparseIntKey a0) -> IMP::Int
2007 get_value(XYZ self, SparseStringKey a0) -> IMP::String
2008 get_value(XYZ self, SparseParticleIndexKey a0) -> ParticleIndex
2010 return _IMP_core.XYZ_get_value(self, *args)
2012 def set_value(self, *args):
2014 set_value(XYZ self, FloatKey a0, IMP::Float a1)
2015 set_value(XYZ self, IntKey a0, IMP::Int a1)
2016 set_value(XYZ self, FloatsKey a0, IMP::Floats a1)
2017 set_value(XYZ self, IntsKey a0, IMP::Ints a1)
2018 set_value(XYZ self, StringKey a0, IMP::String a1)
2019 set_value(XYZ self, ParticleIndexKey a0, Particle a1)
2020 set_value(XYZ self, ObjectKey a0, Object a1)
2021 set_value(XYZ self, SparseFloatKey a0, IMP::Float a1)
2022 set_value(XYZ self, SparseIntKey a0, IMP::Int a1)
2023 set_value(XYZ self, SparseStringKey a0, IMP::String a1)
2024 set_value(XYZ self, SparseParticleIndexKey a0, ParticleIndex a1)
2026 return _IMP_core.XYZ_set_value(self, *args)
2028 def remove_attribute(self, *args):
2030 remove_attribute(XYZ self, FloatKey a0)
2031 remove_attribute(XYZ self, IntKey a0)
2032 remove_attribute(XYZ self, FloatsKey a0)
2033 remove_attribute(XYZ self, IntsKey a0)
2034 remove_attribute(XYZ self, StringKey a0)
2035 remove_attribute(XYZ self, ParticleIndexKey a0)
2036 remove_attribute(XYZ self, ObjectKey a0)
2037 remove_attribute(XYZ self, SparseFloatKey a0)
2038 remove_attribute(XYZ self, SparseIntKey a0)
2039 remove_attribute(XYZ self, SparseStringKey a0)
2040 remove_attribute(XYZ self, SparseParticleIndexKey a0)
2042 return _IMP_core.XYZ_remove_attribute(self, *args)
2044 def has_attribute(self, *args):
2046 has_attribute(XYZ self, FloatKey a0) -> bool
2047 has_attribute(XYZ self, IntKey a0) -> bool
2048 has_attribute(XYZ self, FloatsKey a0) -> bool
2049 has_attribute(XYZ self, IntsKey a0) -> bool
2050 has_attribute(XYZ self, StringKey a0) -> bool
2051 has_attribute(XYZ self, ParticleIndexKey a0) -> bool
2052 has_attribute(XYZ self, ObjectKey a0) -> bool
2053 has_attribute(XYZ self, SparseFloatKey a0) -> bool
2054 has_attribute(XYZ self, SparseIntKey a0) -> bool
2055 has_attribute(XYZ self, SparseStringKey a0) -> bool
2056 has_attribute(XYZ self, SparseParticleIndexKey a0) -> bool
2058 return _IMP_core.XYZ_has_attribute(self, *args)
2060 def get_derivative(self, *args):
2062 get_derivative(XYZ self, int i) -> IMP::Float
2063 get_derivative(XYZ self, FloatKey a0) -> double
2065 return _IMP_core.XYZ_get_derivative(self, *args)
2068 r"""get_name(XYZ self) -> std::string"""
2069 return _IMP_core.XYZ_get_name(self)
2071 def clear_caches(self):
2072 r"""clear_caches(XYZ self)"""
2073 return _IMP_core.XYZ_clear_caches(self)
2075 def set_name(self, a0):
2076 r"""set_name(XYZ self, std::string a0)"""
2077 return _IMP_core.XYZ_set_name(self, a0)
2080 r"""set_check_level(XYZ self, IMP::CheckLevel a0)"""
2081 return _IMP_core.XYZ_set_check_level(self, a0)
2083 def add_to_derivative(self, *args):
2085 add_to_derivative(XYZ self, int i, IMP::Float v, DerivativeAccumulator d)
2086 add_to_derivative(XYZ self, FloatKey a0, double a1, DerivativeAccumulator a2)
2088 return _IMP_core.XYZ_add_to_derivative(self, *args)
2090 def set_is_optimized(self, a0, a1):
2091 r"""set_is_optimized(XYZ self, FloatKey a0, bool a1)"""
2092 return _IMP_core.XYZ_set_is_optimized(self, a0, a1)
2094 def get_is_optimized(self, a0):
2095 r"""get_is_optimized(XYZ self, FloatKey a0) -> bool"""
2096 return _IMP_core.XYZ_get_is_optimized(self, a0)
2099 r"""get_check_level(XYZ self) -> IMP::CheckLevel"""
2100 return _IMP_core.XYZ_get_check_level(self)
2102 def __eq__(self, *args):
2104 __eq__(XYZ self, XYZ o) -> bool
2105 __eq__(XYZ self, Particle d) -> bool
2107 return _IMP_core.XYZ___eq__(self, *args)
2109 def __ne__(self, *args):
2111 __ne__(XYZ self, XYZ o) -> bool
2112 __ne__(XYZ self, Particle d) -> bool
2114 return _IMP_core.XYZ___ne__(self, *args)
2116 def __le__(self, *args):
2118 __le__(XYZ self, XYZ o) -> bool
2119 __le__(XYZ self, Particle d) -> bool
2121 return _IMP_core.XYZ___le__(self, *args)
2123 def __lt__(self, *args):
2125 __lt__(XYZ self, XYZ o) -> bool
2126 __lt__(XYZ self, Particle d) -> bool
2128 return _IMP_core.XYZ___lt__(self, *args)
2130 def __ge__(self, *args):
2132 __ge__(XYZ self, XYZ o) -> bool
2133 __ge__(XYZ self, Particle d) -> bool
2135 return _IMP_core.XYZ___ge__(self, *args)
2137 def __gt__(self, *args):
2139 __gt__(XYZ self, XYZ o) -> bool
2140 __gt__(XYZ self, Particle d) -> bool
2142 return _IMP_core.XYZ___gt__(self, *args)
2145 r"""__hash__(XYZ self) -> std::size_t"""
2146 return _IMP_core.XYZ___hash__(self)
2149 r"""__str__(XYZ self) -> std::string"""
2150 return _IMP_core.XYZ___str__(self)
2153 r"""__repr__(XYZ self) -> std::string"""
2154 return _IMP_core.XYZ___repr__(self)
2156 def _get_as_binary(self):
2157 r"""_get_as_binary(XYZ self) -> PyObject *"""
2158 return _IMP_core.XYZ__get_as_binary(self)
2160 def _set_from_binary(self, p):
2161 r"""_set_from_binary(XYZ self, PyObject * p)"""
2162 return _IMP_core.XYZ__set_from_binary(self, p)
2164 def __getstate__(self):
2165 p = self._get_as_binary()
2166 if len(self.__dict__) > 1:
2167 d = self.__dict__.copy()
2172 def __setstate__(self, p):
2173 if not hasattr(self,
'this'):
2175 if isinstance(p, tuple):
2177 self.__dict__.update(d)
2178 return self._set_from_binary(p)
2180 __swig_destroy__ = _IMP_core.delete_XYZ
2183 _IMP_core.XYZ_swigregister(XYZ)
2186 r"""set_vector_geometry(XYZ d, Vector3D v)"""
2187 return _IMP_core.set_vector_geometry(d, v)
2190 r"""get_vector_geometry(XYZ d) -> Vector3D"""
2191 return _IMP_core.get_vector_geometry(d)
2194 r"""get_dihedral(XYZ a, XYZ b, XYZ c, XYZ d) -> double"""
2195 return _IMP_core.get_dihedral(a, b, c, d)
2197 r"""Proxy of C++ IMP::core::XYZR class."""
2199 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2201 def __init__(self, *args):
2203 __init__(XYZR self) -> XYZR
2204 __init__(XYZR self, Model m, ParticleIndex id) -> XYZR
2205 __init__(XYZR self, _ParticleAdaptor d) -> XYZR
2207 _IMP_core.XYZR_swiginit(self, _IMP_core.new_XYZR(*args))
2209 def show(self, *args):
2210 r"""show(XYZR self, _ostream out=std::cout)"""
2211 return _IMP_core.XYZR_show(self, *args)
2214 def setup_particle(*args):
2216 setup_particle(Model m, ParticleIndex pi) -> XYZR
2217 setup_particle(_ParticleAdaptor pa) -> XYZR
2218 setup_particle(Model m, ParticleIndex pi, IMP::Float radius) -> XYZR
2219 setup_particle(_ParticleAdaptor pa, IMP::Float radius) -> XYZR
2220 setup_particle(Model m, ParticleIndex pi, Sphere3D ball) -> XYZR
2221 setup_particle(_ParticleAdaptor pa, Sphere3D ball) -> XYZR
2223 return _IMP_core.XYZR_setup_particle(*args)
2226 def get_is_setup(*args):
2228 get_is_setup(_ParticleAdaptor p) -> bool
2229 get_is_setup(Model m, ParticleIndex pi) -> bool
2231 return _IMP_core.XYZR_get_is_setup(*args)
2233 def get_radius(self):
2234 r"""get_radius(XYZR self) -> double"""
2235 return _IMP_core.XYZR_get_radius(self)
2237 def set_radius(self, r):
2238 r"""set_radius(XYZR self, double r)"""
2239 return _IMP_core.XYZR_set_radius(self, r)
2241 def get_sphere(self):
2242 r"""get_sphere(XYZR self) -> Sphere3D"""
2243 return _IMP_core.XYZR_get_sphere(self)
2245 def set_sphere(self, s):
2246 r"""set_sphere(XYZR self, Sphere3D s)"""
2247 return _IMP_core.XYZR_set_sphere(self, s)
2250 def get_radius_key():
2251 r"""get_radius_key() -> FloatKey"""
2252 return _IMP_core.XYZR_get_radius_key()
2254 def add_to_radius_derivative(self, v, d):
2255 r"""add_to_radius_derivative(XYZR self, double v, DerivativeAccumulator d)"""
2256 return _IMP_core.XYZR_add_to_radius_derivative(self, v, d)
2258 def add_attribute(self, *args):
2260 add_attribute(XYZR self, FloatKey k, IMP::Float v, bool opt)
2261 add_attribute(XYZR self, FloatKey a0, IMP::Float a1)
2262 add_attribute(XYZR self, IntKey a0, IMP::Int a1)
2263 add_attribute(XYZR self, FloatsKey a0, IMP::Floats a1)
2264 add_attribute(XYZR self, IntsKey a0, IMP::Ints a1)
2265 add_attribute(XYZR self, StringKey a0, IMP::String a1)
2266 add_attribute(XYZR self, ParticleIndexKey a0, Particle a1)
2267 add_attribute(XYZR self, ObjectKey a0, Object a1)
2268 add_attribute(XYZR self, SparseFloatKey a0, IMP::Float a1)
2269 add_attribute(XYZR self, SparseIntKey a0, IMP::Int a1)
2270 add_attribute(XYZR self, SparseStringKey a0, IMP::String a1)
2271 add_attribute(XYZR self, SparseParticleIndexKey a0, ParticleIndex a1)
2273 return _IMP_core.XYZR_add_attribute(self, *args)
2275 def get_value(self, *args):
2277 get_value(XYZR self, FloatKey a0) -> IMP::Float
2278 get_value(XYZR self, IntKey a0) -> IMP::Int
2279 get_value(XYZR self, FloatsKey a0) -> IMP::Floats
2280 get_value(XYZR self, IntsKey a0) -> IMP::Ints
2281 get_value(XYZR self, StringKey a0) -> IMP::String
2282 get_value(XYZR self, ParticleIndexKey a0) -> Particle
2283 get_value(XYZR self, ObjectKey a0) -> Object
2284 get_value(XYZR self, SparseFloatKey a0) -> IMP::Float
2285 get_value(XYZR self, SparseIntKey a0) -> IMP::Int
2286 get_value(XYZR self, SparseStringKey a0) -> IMP::String
2287 get_value(XYZR self, SparseParticleIndexKey a0) -> ParticleIndex
2289 return _IMP_core.XYZR_get_value(self, *args)
2291 def set_value(self, *args):
2293 set_value(XYZR self, FloatKey a0, IMP::Float a1)
2294 set_value(XYZR self, IntKey a0, IMP::Int a1)
2295 set_value(XYZR self, FloatsKey a0, IMP::Floats a1)
2296 set_value(XYZR self, IntsKey a0, IMP::Ints a1)
2297 set_value(XYZR self, StringKey a0, IMP::String a1)
2298 set_value(XYZR self, ParticleIndexKey a0, Particle a1)
2299 set_value(XYZR self, ObjectKey a0, Object a1)
2300 set_value(XYZR self, SparseFloatKey a0, IMP::Float a1)
2301 set_value(XYZR self, SparseIntKey a0, IMP::Int a1)
2302 set_value(XYZR self, SparseStringKey a0, IMP::String a1)
2303 set_value(XYZR self, SparseParticleIndexKey a0, ParticleIndex a1)
2305 return _IMP_core.XYZR_set_value(self, *args)
2307 def remove_attribute(self, *args):
2309 remove_attribute(XYZR self, FloatKey a0)
2310 remove_attribute(XYZR self, IntKey a0)
2311 remove_attribute(XYZR self, FloatsKey a0)
2312 remove_attribute(XYZR self, IntsKey a0)
2313 remove_attribute(XYZR self, StringKey a0)
2314 remove_attribute(XYZR self, ParticleIndexKey a0)
2315 remove_attribute(XYZR self, ObjectKey a0)
2316 remove_attribute(XYZR self, SparseFloatKey a0)
2317 remove_attribute(XYZR self, SparseIntKey a0)
2318 remove_attribute(XYZR self, SparseStringKey a0)
2319 remove_attribute(XYZR self, SparseParticleIndexKey a0)
2321 return _IMP_core.XYZR_remove_attribute(self, *args)
2323 def has_attribute(self, *args):
2325 has_attribute(XYZR self, FloatKey a0) -> bool
2326 has_attribute(XYZR self, IntKey a0) -> bool
2327 has_attribute(XYZR self, FloatsKey a0) -> bool
2328 has_attribute(XYZR self, IntsKey a0) -> bool
2329 has_attribute(XYZR self, StringKey a0) -> bool
2330 has_attribute(XYZR self, ParticleIndexKey a0) -> bool
2331 has_attribute(XYZR self, ObjectKey a0) -> bool
2332 has_attribute(XYZR self, SparseFloatKey a0) -> bool
2333 has_attribute(XYZR self, SparseIntKey a0) -> bool
2334 has_attribute(XYZR self, SparseStringKey a0) -> bool
2335 has_attribute(XYZR self, SparseParticleIndexKey a0) -> bool
2337 return _IMP_core.XYZR_has_attribute(self, *args)
2339 def get_derivative(self, a0):
2340 r"""get_derivative(XYZR self, FloatKey a0) -> double"""
2341 return _IMP_core.XYZR_get_derivative(self, a0)
2344 r"""get_name(XYZR self) -> std::string"""
2345 return _IMP_core.XYZR_get_name(self)
2347 def clear_caches(self):
2348 r"""clear_caches(XYZR self)"""
2349 return _IMP_core.XYZR_clear_caches(self)
2351 def set_name(self, a0):
2352 r"""set_name(XYZR self, std::string a0)"""
2353 return _IMP_core.XYZR_set_name(self, a0)
2356 r"""set_check_level(XYZR self, IMP::CheckLevel a0)"""
2357 return _IMP_core.XYZR_set_check_level(self, a0)
2359 def add_to_derivative(self, a0, a1, a2):
2360 r"""add_to_derivative(XYZR self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2361 return _IMP_core.XYZR_add_to_derivative(self, a0, a1, a2)
2363 def set_is_optimized(self, a0, a1):
2364 r"""set_is_optimized(XYZR self, FloatKey a0, bool a1)"""
2365 return _IMP_core.XYZR_set_is_optimized(self, a0, a1)
2367 def get_is_optimized(self, a0):
2368 r"""get_is_optimized(XYZR self, FloatKey a0) -> bool"""
2369 return _IMP_core.XYZR_get_is_optimized(self, a0)
2372 r"""get_check_level(XYZR self) -> IMP::CheckLevel"""
2373 return _IMP_core.XYZR_get_check_level(self)
2375 def __eq__(self, *args):
2377 __eq__(XYZR self, XYZR o) -> bool
2378 __eq__(XYZR self, Particle d) -> bool
2380 return _IMP_core.XYZR___eq__(self, *args)
2382 def __ne__(self, *args):
2384 __ne__(XYZR self, XYZR o) -> bool
2385 __ne__(XYZR self, Particle d) -> bool
2387 return _IMP_core.XYZR___ne__(self, *args)
2389 def __le__(self, *args):
2391 __le__(XYZR self, XYZR o) -> bool
2392 __le__(XYZR self, Particle d) -> bool
2394 return _IMP_core.XYZR___le__(self, *args)
2396 def __lt__(self, *args):
2398 __lt__(XYZR self, XYZR o) -> bool
2399 __lt__(XYZR self, Particle d) -> bool
2401 return _IMP_core.XYZR___lt__(self, *args)
2403 def __ge__(self, *args):
2405 __ge__(XYZR self, XYZR o) -> bool
2406 __ge__(XYZR self, Particle d) -> bool
2408 return _IMP_core.XYZR___ge__(self, *args)
2410 def __gt__(self, *args):
2412 __gt__(XYZR self, XYZR o) -> bool
2413 __gt__(XYZR self, Particle d) -> bool
2415 return _IMP_core.XYZR___gt__(self, *args)
2418 r"""__hash__(XYZR self) -> std::size_t"""
2419 return _IMP_core.XYZR___hash__(self)
2422 r"""__str__(XYZR self) -> std::string"""
2423 return _IMP_core.XYZR___str__(self)
2426 r"""__repr__(XYZR self) -> std::string"""
2427 return _IMP_core.XYZR___repr__(self)
2429 def _get_as_binary(self):
2430 r"""_get_as_binary(XYZR self) -> PyObject *"""
2431 return _IMP_core.XYZR__get_as_binary(self)
2433 def _set_from_binary(self, p):
2434 r"""_set_from_binary(XYZR self, PyObject * p)"""
2435 return _IMP_core.XYZR__set_from_binary(self, p)
2437 def __getstate__(self):
2438 p = self._get_as_binary()
2439 if len(self.__dict__) > 1:
2440 d = self.__dict__.copy()
2445 def __setstate__(self, p):
2446 if not hasattr(self,
'this'):
2448 if isinstance(p, tuple):
2450 self.__dict__.update(d)
2451 return self._set_from_binary(p)
2453 __swig_destroy__ = _IMP_core.delete_XYZR
2456 _IMP_core.XYZR_swigregister(XYZR)
2459 r"""set_enclosing_sphere(XYZR b, IMP::core::XYZs const & v, double slack=0)"""
2460 return _IMP_core.set_enclosing_sphere(b, v, slack)
2463 r"""set_enclosing_radius(XYZR b, IMP::core::XYZs const & v)"""
2464 return _IMP_core.set_enclosing_radius(b, v)
2467 r"""get_enclosing_sphere(IMP::core::XYZs const & v) -> Sphere3D"""
2468 return _IMP_core.get_enclosing_sphere(v)
2471 r"""create_xyzr_particles(Model m, unsigned int num, IMP::Float radius, IMP::Float box_side=10) -> IMP::core::XYZRs"""
2472 return _IMP_core.create_xyzr_particles(m, num, radius, box_side)
2474 r"""Proxy of C++ IMP::core::XYZRGeometry class."""
2476 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2478 def __init__(self, *args):
2480 __init__(XYZRGeometry self, Particle p) -> XYZRGeometry
2481 __init__(XYZRGeometry self, XYZR d) -> XYZRGeometry
2483 _IMP_core.XYZRGeometry_swiginit(self, _IMP_core.new_XYZRGeometry(*args))
2485 def get_version_info(self):
2486 r"""get_version_info(XYZRGeometry self) -> VersionInfo"""
2487 return _IMP_core.XYZRGeometry_get_version_info(self)
2488 __swig_destroy__ = _IMP_core.delete_XYZRGeometry
2491 r"""__str__(XYZRGeometry self) -> std::string"""
2492 return _IMP_core.XYZRGeometry___str__(self)
2495 r"""__repr__(XYZRGeometry self) -> std::string"""
2496 return _IMP_core.XYZRGeometry___repr__(self)
2500 return _object_cast_to_XYZRGeometry(o)
2504 _IMP_core.XYZRGeometry_swigregister(XYZRGeometry)
2506 r"""Proxy of C++ IMP::core::XYZRsGeometry class."""
2508 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2510 def __init__(self, sc):
2511 r"""__init__(XYZRsGeometry self, SingletonContainer sc) -> XYZRsGeometry"""
2512 _IMP_core.XYZRsGeometry_swiginit(self, _IMP_core.new_XYZRsGeometry(sc))
2514 def get_version_info(self):
2515 r"""get_version_info(XYZRsGeometry self) -> VersionInfo"""
2516 return _IMP_core.XYZRsGeometry_get_version_info(self)
2517 __swig_destroy__ = _IMP_core.delete_XYZRsGeometry
2520 r"""__str__(XYZRsGeometry self) -> std::string"""
2521 return _IMP_core.XYZRsGeometry___str__(self)
2524 r"""__repr__(XYZRsGeometry self) -> std::string"""
2525 return _IMP_core.XYZRsGeometry___repr__(self)
2529 return _object_cast_to_XYZRsGeometry(o)
2533 _IMP_core.XYZRsGeometry_swigregister(XYZRsGeometry)
2535 r"""Proxy of C++ IMP::core::XYZDerivativeGeometry class."""
2537 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2539 def __init__(self, *args):
2541 __init__(XYZDerivativeGeometry self, Particle p) -> XYZDerivativeGeometry
2542 __init__(XYZDerivativeGeometry self, XYZ d) -> XYZDerivativeGeometry
2544 _IMP_core.XYZDerivativeGeometry_swiginit(self, _IMP_core.new_XYZDerivativeGeometry(*args))
2546 def get_version_info(self):
2547 r"""get_version_info(XYZDerivativeGeometry self) -> VersionInfo"""
2548 return _IMP_core.XYZDerivativeGeometry_get_version_info(self)
2549 __swig_destroy__ = _IMP_core.delete_XYZDerivativeGeometry
2552 r"""__str__(XYZDerivativeGeometry self) -> std::string"""
2553 return _IMP_core.XYZDerivativeGeometry___str__(self)
2556 r"""__repr__(XYZDerivativeGeometry self) -> std::string"""
2557 return _IMP_core.XYZDerivativeGeometry___repr__(self)
2561 return _object_cast_to_XYZDerivativeGeometry(o)
2565 _IMP_core.XYZDerivativeGeometry_swigregister(XYZDerivativeGeometry)
2567 r"""Proxy of C++ IMP::core::XYZDerivativesGeometry class."""
2569 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2571 def __init__(self, sc):
2572 r"""__init__(XYZDerivativesGeometry self, SingletonContainer sc) -> XYZDerivativesGeometry"""
2573 _IMP_core.XYZDerivativesGeometry_swiginit(self, _IMP_core.new_XYZDerivativesGeometry(sc))
2575 def get_version_info(self):
2576 r"""get_version_info(XYZDerivativesGeometry self) -> VersionInfo"""
2577 return _IMP_core.XYZDerivativesGeometry_get_version_info(self)
2578 __swig_destroy__ = _IMP_core.delete_XYZDerivativesGeometry
2581 r"""__str__(XYZDerivativesGeometry self) -> std::string"""
2582 return _IMP_core.XYZDerivativesGeometry___str__(self)
2585 r"""__repr__(XYZDerivativesGeometry self) -> std::string"""
2586 return _IMP_core.XYZDerivativesGeometry___repr__(self)
2590 return _object_cast_to_XYZDerivativesGeometry(o)
2594 _IMP_core.XYZDerivativesGeometry_swigregister(XYZDerivativesGeometry)
2596 r"""Proxy of C++ IMP::core::EdgePairGeometry class."""
2598 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2600 def __init__(self, pp):
2601 r"""__init__(EdgePairGeometry self, IMP::ParticlePair const & pp) -> EdgePairGeometry"""
2602 _IMP_core.EdgePairGeometry_swiginit(self, _IMP_core.new_EdgePairGeometry(pp))
2604 def get_version_info(self):
2605 r"""get_version_info(EdgePairGeometry self) -> VersionInfo"""
2606 return _IMP_core.EdgePairGeometry_get_version_info(self)
2607 __swig_destroy__ = _IMP_core.delete_EdgePairGeometry
2610 r"""__str__(EdgePairGeometry self) -> std::string"""
2611 return _IMP_core.EdgePairGeometry___str__(self)
2614 r"""__repr__(EdgePairGeometry self) -> std::string"""
2615 return _IMP_core.EdgePairGeometry___repr__(self)
2619 return _object_cast_to_EdgePairGeometry(o)
2623 _IMP_core.EdgePairGeometry_swigregister(EdgePairGeometry)
2625 r"""Proxy of C++ IMP::core::EdgePairsGeometry class."""
2627 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2629 def __init__(self, sc):
2630 r"""__init__(EdgePairsGeometry self, PairContainer sc) -> EdgePairsGeometry"""
2631 _IMP_core.EdgePairsGeometry_swiginit(self, _IMP_core.new_EdgePairsGeometry(sc))
2633 def get_version_info(self):
2634 r"""get_version_info(EdgePairsGeometry self) -> VersionInfo"""
2635 return _IMP_core.EdgePairsGeometry_get_version_info(self)
2636 __swig_destroy__ = _IMP_core.delete_EdgePairsGeometry
2639 r"""__str__(EdgePairsGeometry self) -> std::string"""
2640 return _IMP_core.EdgePairsGeometry___str__(self)
2643 r"""__repr__(EdgePairsGeometry self) -> std::string"""
2644 return _IMP_core.EdgePairsGeometry___repr__(self)
2648 return _object_cast_to_EdgePairsGeometry(o)
2652 _IMP_core.EdgePairsGeometry_swigregister(EdgePairsGeometry)
2654 r"""Proxy of C++ IMP::core::Direction class."""
2656 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2659 def do_setup_particle(m, pi, v):
2660 r"""do_setup_particle(Model m, ParticleIndex pi, Vector3D v)"""
2661 return _IMP_core.Direction_do_setup_particle(m, pi, v)
2663 def __init__(self, *args):
2665 __init__(Direction self) -> Direction
2666 __init__(Direction self, Model m, ParticleIndex id) -> Direction
2667 __init__(Direction self, _ParticleAdaptor d) -> Direction
2669 _IMP_core.Direction_swiginit(self, _IMP_core.new_Direction(*args))
2671 def show(self, *args):
2672 r"""show(Direction self, _ostream out=std::cout)"""
2673 return _IMP_core.Direction_show(self, *args)
2676 def setup_particle(*args):
2678 setup_particle(Model m, ParticleIndex pi, Vector3D v) -> Direction
2679 setup_particle(_ParticleAdaptor pa, Vector3D v) -> Direction
2681 return _IMP_core.Direction_setup_particle(*args)
2684 def get_is_setup(*args):
2686 get_is_setup(_ParticleAdaptor p) -> bool
2687 get_is_setup(Model m, ParticleIndex pi) -> bool
2689 return _IMP_core.Direction_get_is_setup(*args)
2692 def get_direction_key(i):
2693 r"""get_direction_key(unsigned int i) -> FloatKey"""
2694 return _IMP_core.Direction_get_direction_key(i)
2696 def get_direction_derivative(self, i):
2697 r"""get_direction_derivative(Direction self, int i) -> IMP::Float"""
2698 return _IMP_core.Direction_get_direction_derivative(self, i)
2700 def get_direction_derivatives(self):
2701 r"""get_direction_derivatives(Direction self) -> Vector3D"""
2702 return _IMP_core.Direction_get_direction_derivatives(self)
2704 def add_to_direction_derivative(self, i, v, d):
2705 r"""add_to_direction_derivative(Direction self, int i, IMP::Float v, DerivativeAccumulator d)"""
2706 return _IMP_core.Direction_add_to_direction_derivative(self, i, v, d)
2708 def add_to_direction_derivatives(self, v, d):
2709 r"""add_to_direction_derivatives(Direction self, Vector3D v, DerivativeAccumulator d)"""
2710 return _IMP_core.Direction_add_to_direction_derivatives(self, v, d)
2712 def get_direction_is_optimized(self):
2713 r"""get_direction_is_optimized(Direction self) -> bool"""
2714 return _IMP_core.Direction_get_direction_is_optimized(self)
2716 def set_direction_is_optimized(self, tf):
2717 r"""set_direction_is_optimized(Direction self, bool tf)"""
2718 return _IMP_core.Direction_set_direction_is_optimized(self, tf)
2720 def get_direction(self):
2721 r"""get_direction(Direction self) -> Vector3D"""
2722 return _IMP_core.Direction_get_direction(self)
2724 def set_direction(self, v):
2725 r"""set_direction(Direction self, Vector3D v)"""
2726 return _IMP_core.Direction_set_direction(self, v)
2729 r"""reflect(Direction self)"""
2730 return _IMP_core.Direction_reflect(self)
2732 def add_attribute(self, *args):
2734 add_attribute(Direction self, FloatKey k, IMP::Float v, bool opt)
2735 add_attribute(Direction self, FloatKey a0, IMP::Float a1)
2736 add_attribute(Direction self, IntKey a0, IMP::Int a1)
2737 add_attribute(Direction self, FloatsKey a0, IMP::Floats a1)
2738 add_attribute(Direction self, IntsKey a0, IMP::Ints a1)
2739 add_attribute(Direction self, StringKey a0, IMP::String a1)
2740 add_attribute(Direction self, ParticleIndexKey a0, Particle a1)
2741 add_attribute(Direction self, ObjectKey a0, Object a1)
2742 add_attribute(Direction self, SparseFloatKey a0, IMP::Float a1)
2743 add_attribute(Direction self, SparseIntKey a0, IMP::Int a1)
2744 add_attribute(Direction self, SparseStringKey a0, IMP::String a1)
2745 add_attribute(Direction self, SparseParticleIndexKey a0, ParticleIndex a1)
2747 return _IMP_core.Direction_add_attribute(self, *args)
2749 def get_value(self, *args):
2751 get_value(Direction self, FloatKey a0) -> IMP::Float
2752 get_value(Direction self, IntKey a0) -> IMP::Int
2753 get_value(Direction self, FloatsKey a0) -> IMP::Floats
2754 get_value(Direction self, IntsKey a0) -> IMP::Ints
2755 get_value(Direction self, StringKey a0) -> IMP::String
2756 get_value(Direction self, ParticleIndexKey a0) -> Particle
2757 get_value(Direction self, ObjectKey a0) -> Object
2758 get_value(Direction self, SparseFloatKey a0) -> IMP::Float
2759 get_value(Direction self, SparseIntKey a0) -> IMP::Int
2760 get_value(Direction self, SparseStringKey a0) -> IMP::String
2761 get_value(Direction self, SparseParticleIndexKey a0) -> ParticleIndex
2763 return _IMP_core.Direction_get_value(self, *args)
2765 def set_value(self, *args):
2767 set_value(Direction self, FloatKey a0, IMP::Float a1)
2768 set_value(Direction self, IntKey a0, IMP::Int a1)
2769 set_value(Direction self, FloatsKey a0, IMP::Floats a1)
2770 set_value(Direction self, IntsKey a0, IMP::Ints a1)
2771 set_value(Direction self, StringKey a0, IMP::String a1)
2772 set_value(Direction self, ParticleIndexKey a0, Particle a1)
2773 set_value(Direction self, ObjectKey a0, Object a1)
2774 set_value(Direction self, SparseFloatKey a0, IMP::Float a1)
2775 set_value(Direction self, SparseIntKey a0, IMP::Int a1)
2776 set_value(Direction self, SparseStringKey a0, IMP::String a1)
2777 set_value(Direction self, SparseParticleIndexKey a0, ParticleIndex a1)
2779 return _IMP_core.Direction_set_value(self, *args)
2781 def remove_attribute(self, *args):
2783 remove_attribute(Direction self, FloatKey a0)
2784 remove_attribute(Direction self, IntKey a0)
2785 remove_attribute(Direction self, FloatsKey a0)
2786 remove_attribute(Direction self, IntsKey a0)
2787 remove_attribute(Direction self, StringKey a0)
2788 remove_attribute(Direction self, ParticleIndexKey a0)
2789 remove_attribute(Direction self, ObjectKey a0)
2790 remove_attribute(Direction self, SparseFloatKey a0)
2791 remove_attribute(Direction self, SparseIntKey a0)
2792 remove_attribute(Direction self, SparseStringKey a0)
2793 remove_attribute(Direction self, SparseParticleIndexKey a0)
2795 return _IMP_core.Direction_remove_attribute(self, *args)
2797 def has_attribute(self, *args):
2799 has_attribute(Direction self, FloatKey a0) -> bool
2800 has_attribute(Direction self, IntKey a0) -> bool
2801 has_attribute(Direction self, FloatsKey a0) -> bool
2802 has_attribute(Direction self, IntsKey a0) -> bool
2803 has_attribute(Direction self, StringKey a0) -> bool
2804 has_attribute(Direction self, ParticleIndexKey a0) -> bool
2805 has_attribute(Direction self, ObjectKey a0) -> bool
2806 has_attribute(Direction self, SparseFloatKey a0) -> bool
2807 has_attribute(Direction self, SparseIntKey a0) -> bool
2808 has_attribute(Direction self, SparseStringKey a0) -> bool
2809 has_attribute(Direction self, SparseParticleIndexKey a0) -> bool
2811 return _IMP_core.Direction_has_attribute(self, *args)
2813 def get_derivative(self, a0):
2814 r"""get_derivative(Direction self, FloatKey a0) -> double"""
2815 return _IMP_core.Direction_get_derivative(self, a0)
2818 r"""get_name(Direction self) -> std::string"""
2819 return _IMP_core.Direction_get_name(self)
2821 def clear_caches(self):
2822 r"""clear_caches(Direction self)"""
2823 return _IMP_core.Direction_clear_caches(self)
2825 def set_name(self, a0):
2826 r"""set_name(Direction self, std::string a0)"""
2827 return _IMP_core.Direction_set_name(self, a0)
2830 r"""set_check_level(Direction self, IMP::CheckLevel a0)"""
2831 return _IMP_core.Direction_set_check_level(self, a0)
2833 def add_to_derivative(self, a0, a1, a2):
2834 r"""add_to_derivative(Direction self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2835 return _IMP_core.Direction_add_to_derivative(self, a0, a1, a2)
2837 def set_is_optimized(self, a0, a1):
2838 r"""set_is_optimized(Direction self, FloatKey a0, bool a1)"""
2839 return _IMP_core.Direction_set_is_optimized(self, a0, a1)
2841 def get_is_optimized(self, a0):
2842 r"""get_is_optimized(Direction self, FloatKey a0) -> bool"""
2843 return _IMP_core.Direction_get_is_optimized(self, a0)
2846 r"""get_check_level(Direction self) -> IMP::CheckLevel"""
2847 return _IMP_core.Direction_get_check_level(self)
2849 def __eq__(self, *args):
2851 __eq__(Direction self, Direction o) -> bool
2852 __eq__(Direction self, Particle d) -> bool
2854 return _IMP_core.Direction___eq__(self, *args)
2856 def __ne__(self, *args):
2858 __ne__(Direction self, Direction o) -> bool
2859 __ne__(Direction self, Particle d) -> bool
2861 return _IMP_core.Direction___ne__(self, *args)
2863 def __le__(self, *args):
2865 __le__(Direction self, Direction o) -> bool
2866 __le__(Direction self, Particle d) -> bool
2868 return _IMP_core.Direction___le__(self, *args)
2870 def __lt__(self, *args):
2872 __lt__(Direction self, Direction o) -> bool
2873 __lt__(Direction self, Particle d) -> bool
2875 return _IMP_core.Direction___lt__(self, *args)
2877 def __ge__(self, *args):
2879 __ge__(Direction self, Direction o) -> bool
2880 __ge__(Direction self, Particle d) -> bool
2882 return _IMP_core.Direction___ge__(self, *args)
2884 def __gt__(self, *args):
2886 __gt__(Direction self, Direction o) -> bool
2887 __gt__(Direction self, Particle d) -> bool
2889 return _IMP_core.Direction___gt__(self, *args)
2892 r"""__hash__(Direction self) -> std::size_t"""
2893 return _IMP_core.Direction___hash__(self)
2896 r"""__str__(Direction self) -> std::string"""
2897 return _IMP_core.Direction___str__(self)
2900 r"""__repr__(Direction self) -> std::string"""
2901 return _IMP_core.Direction___repr__(self)
2903 def _get_as_binary(self):
2904 r"""_get_as_binary(Direction self) -> PyObject *"""
2905 return _IMP_core.Direction__get_as_binary(self)
2907 def _set_from_binary(self, p):
2908 r"""_set_from_binary(Direction self, PyObject * p)"""
2909 return _IMP_core.Direction__set_from_binary(self, p)
2911 def __getstate__(self):
2912 p = self._get_as_binary()
2913 if len(self.__dict__) > 1:
2914 d = self.__dict__.copy()
2919 def __setstate__(self, p):
2920 if not hasattr(self,
'this'):
2922 if isinstance(p, tuple):
2924 self.__dict__.update(d)
2925 return self._set_from_binary(p)
2927 __swig_destroy__ = _IMP_core.delete_Direction
2930 _IMP_core.Direction_swigregister(Direction)
2933 r"""get_angle(Direction a, Direction b) -> double"""
2934 return _IMP_core.get_angle(a, b)
2936 r"""Proxy of C++ IMP::core::DirectionAngle class."""
2938 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2940 def __init__(self, *args):
2942 __init__(DirectionAngle self) -> DirectionAngle
2943 __init__(DirectionAngle self, Model m, ParticleIndex id) -> DirectionAngle
2944 __init__(DirectionAngle self, _ParticleAdaptor d) -> DirectionAngle
2946 _IMP_core.DirectionAngle_swiginit(self, _IMP_core.new_DirectionAngle(*args))
2948 def show(self, *args):
2949 r"""show(DirectionAngle self, _ostream out=std::cout)"""
2950 return _IMP_core.DirectionAngle_show(self, *args)
2953 def setup_particle(*args):
2955 setup_particle(Model m, ParticleIndex pi, IMP::ParticleIndexPair ds) -> DirectionAngle
2956 setup_particle(_ParticleAdaptor pa, IMP::ParticleIndexPair ds) -> DirectionAngle
2957 setup_particle(Model m, ParticleIndex pi, _ParticleIndexAdaptor d0, _ParticleIndexAdaptor d1) -> DirectionAngle
2958 setup_particle(_ParticleAdaptor pa, _ParticleIndexAdaptor d0, _ParticleIndexAdaptor d1) -> DirectionAngle
2960 return _IMP_core.DirectionAngle_setup_particle(*args)
2963 def get_is_setup(*args):
2965 get_is_setup(_ParticleAdaptor p) -> bool
2966 get_is_setup(Model m, ParticleIndex pi) -> bool
2968 return _IMP_core.DirectionAngle_get_is_setup(*args)
2971 def get_angle_key():
2972 r"""get_angle_key() -> FloatKey"""
2973 return _IMP_core.DirectionAngle_get_angle_key()
2976 def get_particle_key(i):
2977 r"""get_particle_key(unsigned int i) -> ParticleIndexKey"""
2978 return _IMP_core.DirectionAngle_get_particle_key(i)
2980 def get_particle(self, *args):
2982 get_particle(DirectionAngle self, unsigned int i) -> Particle
2983 get_particle(DirectionAngle self) -> Particle
2985 return _IMP_core.DirectionAngle_get_particle(self, *args)
2987 def get_particle_index(self, *args):
2989 get_particle_index(DirectionAngle self, unsigned int i) -> ParticleIndex
2990 get_particle_index(DirectionAngle self) -> ParticleIndex
2992 return _IMP_core.DirectionAngle_get_particle_index(self, *args)
2995 r"""get_angle(DirectionAngle self) -> IMP::Float"""
2996 return _IMP_core.DirectionAngle_get_angle(self)
2998 def get_angle_derivative(self):
2999 r"""get_angle_derivative(DirectionAngle self) -> IMP::Float"""
3000 return _IMP_core.DirectionAngle_get_angle_derivative(self)
3002 def add_to_angle_derivative(self, v, d):
3003 r"""add_to_angle_derivative(DirectionAngle self, IMP::Float v, DerivativeAccumulator d)"""
3004 return _IMP_core.DirectionAngle_add_to_angle_derivative(self, v, d)
3006 def add_attribute(self, *args):
3008 add_attribute(DirectionAngle self, FloatKey k, IMP::Float v, bool opt)
3009 add_attribute(DirectionAngle self, FloatKey a0, IMP::Float a1)
3010 add_attribute(DirectionAngle self, IntKey a0, IMP::Int a1)
3011 add_attribute(DirectionAngle self, FloatsKey a0, IMP::Floats a1)
3012 add_attribute(DirectionAngle self, IntsKey a0, IMP::Ints a1)
3013 add_attribute(DirectionAngle self, StringKey a0, IMP::String a1)
3014 add_attribute(DirectionAngle self, ParticleIndexKey a0, Particle a1)
3015 add_attribute(DirectionAngle self, ObjectKey a0, Object a1)
3016 add_attribute(DirectionAngle self, SparseFloatKey a0, IMP::Float a1)
3017 add_attribute(DirectionAngle self, SparseIntKey a0, IMP::Int a1)
3018 add_attribute(DirectionAngle self, SparseStringKey a0, IMP::String a1)
3019 add_attribute(DirectionAngle self, SparseParticleIndexKey a0, ParticleIndex a1)
3021 return _IMP_core.DirectionAngle_add_attribute(self, *args)
3023 def get_value(self, *args):
3025 get_value(DirectionAngle self, FloatKey a0) -> IMP::Float
3026 get_value(DirectionAngle self, IntKey a0) -> IMP::Int
3027 get_value(DirectionAngle self, FloatsKey a0) -> IMP::Floats
3028 get_value(DirectionAngle self, IntsKey a0) -> IMP::Ints
3029 get_value(DirectionAngle self, StringKey a0) -> IMP::String
3030 get_value(DirectionAngle self, ParticleIndexKey a0) -> Particle
3031 get_value(DirectionAngle self, ObjectKey a0) -> Object
3032 get_value(DirectionAngle self, SparseFloatKey a0) -> IMP::Float
3033 get_value(DirectionAngle self, SparseIntKey a0) -> IMP::Int
3034 get_value(DirectionAngle self, SparseStringKey a0) -> IMP::String
3035 get_value(DirectionAngle self, SparseParticleIndexKey a0) -> ParticleIndex
3037 return _IMP_core.DirectionAngle_get_value(self, *args)
3039 def set_value(self, *args):
3041 set_value(DirectionAngle self, FloatKey a0, IMP::Float a1)
3042 set_value(DirectionAngle self, IntKey a0, IMP::Int a1)
3043 set_value(DirectionAngle self, FloatsKey a0, IMP::Floats a1)
3044 set_value(DirectionAngle self, IntsKey a0, IMP::Ints a1)
3045 set_value(DirectionAngle self, StringKey a0, IMP::String a1)
3046 set_value(DirectionAngle self, ParticleIndexKey a0, Particle a1)
3047 set_value(DirectionAngle self, ObjectKey a0, Object a1)
3048 set_value(DirectionAngle self, SparseFloatKey a0, IMP::Float a1)
3049 set_value(DirectionAngle self, SparseIntKey a0, IMP::Int a1)
3050 set_value(DirectionAngle self, SparseStringKey a0, IMP::String a1)
3051 set_value(DirectionAngle self, SparseParticleIndexKey a0, ParticleIndex a1)
3053 return _IMP_core.DirectionAngle_set_value(self, *args)
3055 def remove_attribute(self, *args):
3057 remove_attribute(DirectionAngle self, FloatKey a0)
3058 remove_attribute(DirectionAngle self, IntKey a0)
3059 remove_attribute(DirectionAngle self, FloatsKey a0)
3060 remove_attribute(DirectionAngle self, IntsKey a0)
3061 remove_attribute(DirectionAngle self, StringKey a0)
3062 remove_attribute(DirectionAngle self, ParticleIndexKey a0)
3063 remove_attribute(DirectionAngle self, ObjectKey a0)
3064 remove_attribute(DirectionAngle self, SparseFloatKey a0)
3065 remove_attribute(DirectionAngle self, SparseIntKey a0)
3066 remove_attribute(DirectionAngle self, SparseStringKey a0)
3067 remove_attribute(DirectionAngle self, SparseParticleIndexKey a0)
3069 return _IMP_core.DirectionAngle_remove_attribute(self, *args)
3071 def has_attribute(self, *args):
3073 has_attribute(DirectionAngle self, FloatKey a0) -> bool
3074 has_attribute(DirectionAngle self, IntKey a0) -> bool
3075 has_attribute(DirectionAngle self, FloatsKey a0) -> bool
3076 has_attribute(DirectionAngle self, IntsKey a0) -> bool
3077 has_attribute(DirectionAngle self, StringKey a0) -> bool
3078 has_attribute(DirectionAngle self, ParticleIndexKey a0) -> bool
3079 has_attribute(DirectionAngle self, ObjectKey a0) -> bool
3080 has_attribute(DirectionAngle self, SparseFloatKey a0) -> bool
3081 has_attribute(DirectionAngle self, SparseIntKey a0) -> bool
3082 has_attribute(DirectionAngle self, SparseStringKey a0) -> bool
3083 has_attribute(DirectionAngle self, SparseParticleIndexKey a0) -> bool
3085 return _IMP_core.DirectionAngle_has_attribute(self, *args)
3087 def get_derivative(self, a0):
3088 r"""get_derivative(DirectionAngle self, FloatKey a0) -> double"""
3089 return _IMP_core.DirectionAngle_get_derivative(self, a0)
3092 r"""get_name(DirectionAngle self) -> std::string"""
3093 return _IMP_core.DirectionAngle_get_name(self)
3095 def clear_caches(self):
3096 r"""clear_caches(DirectionAngle self)"""
3097 return _IMP_core.DirectionAngle_clear_caches(self)
3099 def set_name(self, a0):
3100 r"""set_name(DirectionAngle self, std::string a0)"""
3101 return _IMP_core.DirectionAngle_set_name(self, a0)
3104 r"""set_check_level(DirectionAngle self, IMP::CheckLevel a0)"""
3105 return _IMP_core.DirectionAngle_set_check_level(self, a0)
3107 def add_to_derivative(self, a0, a1, a2):
3108 r"""add_to_derivative(DirectionAngle self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3109 return _IMP_core.DirectionAngle_add_to_derivative(self, a0, a1, a2)
3111 def set_is_optimized(self, a0, a1):
3112 r"""set_is_optimized(DirectionAngle self, FloatKey a0, bool a1)"""
3113 return _IMP_core.DirectionAngle_set_is_optimized(self, a0, a1)
3115 def get_is_optimized(self, a0):
3116 r"""get_is_optimized(DirectionAngle self, FloatKey a0) -> bool"""
3117 return _IMP_core.DirectionAngle_get_is_optimized(self, a0)
3120 r"""get_check_level(DirectionAngle self) -> IMP::CheckLevel"""
3121 return _IMP_core.DirectionAngle_get_check_level(self)
3123 def __eq__(self, *args):
3125 __eq__(DirectionAngle self, DirectionAngle o) -> bool
3126 __eq__(DirectionAngle self, Particle d) -> bool
3128 return _IMP_core.DirectionAngle___eq__(self, *args)
3130 def __ne__(self, *args):
3132 __ne__(DirectionAngle self, DirectionAngle o) -> bool
3133 __ne__(DirectionAngle self, Particle d) -> bool
3135 return _IMP_core.DirectionAngle___ne__(self, *args)
3137 def __le__(self, *args):
3139 __le__(DirectionAngle self, DirectionAngle o) -> bool
3140 __le__(DirectionAngle self, Particle d) -> bool
3142 return _IMP_core.DirectionAngle___le__(self, *args)
3144 def __lt__(self, *args):
3146 __lt__(DirectionAngle self, DirectionAngle o) -> bool
3147 __lt__(DirectionAngle self, Particle d) -> bool
3149 return _IMP_core.DirectionAngle___lt__(self, *args)
3151 def __ge__(self, *args):
3153 __ge__(DirectionAngle self, DirectionAngle o) -> bool
3154 __ge__(DirectionAngle self, Particle d) -> bool
3156 return _IMP_core.DirectionAngle___ge__(self, *args)
3158 def __gt__(self, *args):
3160 __gt__(DirectionAngle self, DirectionAngle o) -> bool
3161 __gt__(DirectionAngle self, Particle d) -> bool
3163 return _IMP_core.DirectionAngle___gt__(self, *args)
3166 r"""__hash__(DirectionAngle self) -> std::size_t"""
3167 return _IMP_core.DirectionAngle___hash__(self)
3170 r"""__str__(DirectionAngle self) -> std::string"""
3171 return _IMP_core.DirectionAngle___str__(self)
3174 r"""__repr__(DirectionAngle self) -> std::string"""
3175 return _IMP_core.DirectionAngle___repr__(self)
3177 def _get_as_binary(self):
3178 r"""_get_as_binary(DirectionAngle self) -> PyObject *"""
3179 return _IMP_core.DirectionAngle__get_as_binary(self)
3181 def _set_from_binary(self, p):
3182 r"""_set_from_binary(DirectionAngle self, PyObject * p)"""
3183 return _IMP_core.DirectionAngle__set_from_binary(self, p)
3185 def __getstate__(self):
3186 p = self._get_as_binary()
3187 if len(self.__dict__) > 1:
3188 d = self.__dict__.copy()
3193 def __setstate__(self, p):
3194 if not hasattr(self,
'this'):
3196 if isinstance(p, tuple):
3198 self.__dict__.update(d)
3199 return self._set_from_binary(p)
3201 __swig_destroy__ = _IMP_core.delete_DirectionAngle
3204 _IMP_core.DirectionAngle_swigregister(DirectionAngle)
3206 r"""Proxy of C++ IMP::core::Surface class."""
3208 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3211 def do_setup_particle(*args):
3213 do_setup_particle(Model m, ParticleIndex pi, Vector3D center=IMP::algebra::Vector3D(0, 0, 0), Vector3D normal=IMP::algebra::Vector3D(0, 0, 1))
3214 do_setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf)
3216 return _IMP_core.Surface_do_setup_particle(*args)
3218 def __init__(self, *args):
3220 __init__(Surface self) -> Surface
3221 __init__(Surface self, Model m, ParticleIndex id) -> Surface
3222 __init__(Surface self, _ParticleAdaptor d) -> Surface
3224 _IMP_core.Surface_swiginit(self, _IMP_core.new_Surface(*args))
3226 def show(self, *args):
3227 r"""show(Surface self, _ostream out=std::cout)"""
3228 return _IMP_core.Surface_show(self, *args)
3231 def setup_particle(*args):
3233 setup_particle(Model m, ParticleIndex pi) -> Surface
3234 setup_particle(_ParticleAdaptor pa) -> Surface
3235 setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf) -> Surface
3236 setup_particle(_ParticleAdaptor pa, ReferenceFrame3D rf) -> Surface
3237 setup_particle(Model m, ParticleIndex pi, Vector3D center) -> Surface
3238 setup_particle(_ParticleAdaptor pa, Vector3D center) -> Surface
3239 setup_particle(Model m, ParticleIndex pi, Vector3D center, Vector3D normal) -> Surface
3240 setup_particle(_ParticleAdaptor pa, Vector3D center, Vector3D normal) -> Surface
3242 return _IMP_core.Surface_setup_particle(*args)
3244 def get_normal_x(self):
3245 r"""get_normal_x(Surface self) -> IMP::Float"""
3246 return _IMP_core.Surface_get_normal_x(self)
3248 def set_normal_x(self, t):
3249 r"""set_normal_x(Surface self, IMP::Float t)"""
3250 return _IMP_core.Surface_set_normal_x(self, t)
3252 def get_normal_y(self):
3253 r"""get_normal_y(Surface self) -> IMP::Float"""
3254 return _IMP_core.Surface_get_normal_y(self)
3256 def set_normal_y(self, t):
3257 r"""set_normal_y(Surface self, IMP::Float t)"""
3258 return _IMP_core.Surface_set_normal_y(self, t)
3260 def get_normal_z(self):
3261 r"""get_normal_z(Surface self) -> IMP::Float"""
3262 return _IMP_core.Surface_get_normal_z(self)
3264 def set_normal_z(self, t):
3265 r"""set_normal_z(Surface self, IMP::Float t)"""
3266 return _IMP_core.Surface_set_normal_z(self, t)
3269 def get_is_setup(*args):
3271 get_is_setup(_ParticleAdaptor p) -> bool
3272 get_is_setup(Model m, ParticleIndex pi) -> bool
3274 return _IMP_core.Surface_get_is_setup(*args)
3277 def get_normal_key(i):
3278 r"""get_normal_key(unsigned int i) -> FloatKey"""
3279 return _IMP_core.Surface_get_normal_key(i)
3281 def get_normal_derivative(self, i):
3282 r"""get_normal_derivative(Surface self, int i) -> IMP::Float"""
3283 return _IMP_core.Surface_get_normal_derivative(self, i)
3285 def get_normal_derivatives(self):
3286 r"""get_normal_derivatives(Surface self) -> Vector3D"""
3287 return _IMP_core.Surface_get_normal_derivatives(self)
3289 def add_to_normal_derivative(self, i, v, d):
3290 r"""add_to_normal_derivative(Surface self, int i, IMP::Float v, DerivativeAccumulator d)"""
3291 return _IMP_core.Surface_add_to_normal_derivative(self, i, v, d)
3293 def add_to_normal_derivatives(self, v, d):
3294 r"""add_to_normal_derivatives(Surface self, Vector3D v, DerivativeAccumulator d)"""
3295 return _IMP_core.Surface_add_to_normal_derivatives(self, v, d)
3297 def get_normal_is_optimized(self):
3298 r"""get_normal_is_optimized(Surface self) -> bool"""
3299 return _IMP_core.Surface_get_normal_is_optimized(self)
3301 def set_normal_is_optimized(self, tf):
3302 r"""set_normal_is_optimized(Surface self, bool tf)"""
3303 return _IMP_core.Surface_set_normal_is_optimized(self, tf)
3305 def get_normal(self):
3306 r"""get_normal(Surface self) -> Vector3D"""
3307 return _IMP_core.Surface_get_normal(self)
3309 def set_normal(self, normal):
3310 r"""set_normal(Surface self, Vector3D normal)"""
3311 return _IMP_core.Surface_set_normal(self, normal)
3314 r"""reflect(Surface self)"""
3315 return _IMP_core.Surface_reflect(self)
3318 r"""get_height(Surface self, Vector3D v) -> double"""
3319 return _IMP_core.Surface_get_height(self, v)
3322 r"""get_depth(Surface self, Vector3D v) -> double"""
3323 return _IMP_core.Surface_get_depth(self, v)
3325 def get_distance_to(self, v):
3326 r"""get_distance_to(Surface self, Vector3D v) -> double"""
3327 return _IMP_core.Surface_get_distance_to(self, v)
3329 def get_distance_to_center(self, v):
3330 r"""get_distance_to_center(Surface self, Vector3D v) -> double"""
3331 return _IMP_core.Surface_get_distance_to_center(self, v)
3333 def set_reference_frame(self, rf):
3334 r"""set_reference_frame(Surface self, ReferenceFrame3D rf)"""
3335 return _IMP_core.Surface_set_reference_frame(self, rf)
3337 def get_reference_frame(self):
3338 r"""get_reference_frame(Surface self) -> ReferenceFrame3D"""
3339 return _IMP_core.Surface_get_reference_frame(self)
3341 def get_plane(self):
3342 r"""get_plane(Surface self) -> Plane3D"""
3343 return _IMP_core.Surface_get_plane(self)
3345 def add_attribute(self, *args):
3347 add_attribute(Surface self, FloatKey k, IMP::Float v, bool opt)
3348 add_attribute(Surface self, FloatKey a0, IMP::Float a1)
3349 add_attribute(Surface self, IntKey a0, IMP::Int a1)
3350 add_attribute(Surface self, FloatsKey a0, IMP::Floats a1)
3351 add_attribute(Surface self, IntsKey a0, IMP::Ints a1)
3352 add_attribute(Surface self, StringKey a0, IMP::String a1)
3353 add_attribute(Surface self, ParticleIndexKey a0, Particle a1)
3354 add_attribute(Surface self, ObjectKey a0, Object a1)
3355 add_attribute(Surface self, SparseFloatKey a0, IMP::Float a1)
3356 add_attribute(Surface self, SparseIntKey a0, IMP::Int a1)
3357 add_attribute(Surface self, SparseStringKey a0, IMP::String a1)
3358 add_attribute(Surface self, SparseParticleIndexKey a0, ParticleIndex a1)
3360 return _IMP_core.Surface_add_attribute(self, *args)
3362 def get_value(self, *args):
3364 get_value(Surface self, FloatKey a0) -> IMP::Float
3365 get_value(Surface self, IntKey a0) -> IMP::Int
3366 get_value(Surface self, FloatsKey a0) -> IMP::Floats
3367 get_value(Surface self, IntsKey a0) -> IMP::Ints
3368 get_value(Surface self, StringKey a0) -> IMP::String
3369 get_value(Surface self, ParticleIndexKey a0) -> Particle
3370 get_value(Surface self, ObjectKey a0) -> Object
3371 get_value(Surface self, SparseFloatKey a0) -> IMP::Float
3372 get_value(Surface self, SparseIntKey a0) -> IMP::Int
3373 get_value(Surface self, SparseStringKey a0) -> IMP::String
3374 get_value(Surface self, SparseParticleIndexKey a0) -> ParticleIndex
3376 return _IMP_core.Surface_get_value(self, *args)
3378 def set_value(self, *args):
3380 set_value(Surface self, FloatKey a0, IMP::Float a1)
3381 set_value(Surface self, IntKey a0, IMP::Int a1)
3382 set_value(Surface self, FloatsKey a0, IMP::Floats a1)
3383 set_value(Surface self, IntsKey a0, IMP::Ints a1)
3384 set_value(Surface self, StringKey a0, IMP::String a1)
3385 set_value(Surface self, ParticleIndexKey a0, Particle a1)
3386 set_value(Surface self, ObjectKey a0, Object a1)
3387 set_value(Surface self, SparseFloatKey a0, IMP::Float a1)
3388 set_value(Surface self, SparseIntKey a0, IMP::Int a1)
3389 set_value(Surface self, SparseStringKey a0, IMP::String a1)
3390 set_value(Surface self, SparseParticleIndexKey a0, ParticleIndex a1)
3392 return _IMP_core.Surface_set_value(self, *args)
3394 def remove_attribute(self, *args):
3396 remove_attribute(Surface self, FloatKey a0)
3397 remove_attribute(Surface self, IntKey a0)
3398 remove_attribute(Surface self, FloatsKey a0)
3399 remove_attribute(Surface self, IntsKey a0)
3400 remove_attribute(Surface self, StringKey a0)
3401 remove_attribute(Surface self, ParticleIndexKey a0)
3402 remove_attribute(Surface self, ObjectKey a0)
3403 remove_attribute(Surface self, SparseFloatKey a0)
3404 remove_attribute(Surface self, SparseIntKey a0)
3405 remove_attribute(Surface self, SparseStringKey a0)
3406 remove_attribute(Surface self, SparseParticleIndexKey a0)
3408 return _IMP_core.Surface_remove_attribute(self, *args)
3410 def has_attribute(self, *args):
3412 has_attribute(Surface self, FloatKey a0) -> bool
3413 has_attribute(Surface self, IntKey a0) -> bool
3414 has_attribute(Surface self, FloatsKey a0) -> bool
3415 has_attribute(Surface self, IntsKey a0) -> bool
3416 has_attribute(Surface self, StringKey a0) -> bool
3417 has_attribute(Surface self, ParticleIndexKey a0) -> bool
3418 has_attribute(Surface self, ObjectKey a0) -> bool
3419 has_attribute(Surface self, SparseFloatKey a0) -> bool
3420 has_attribute(Surface self, SparseIntKey a0) -> bool
3421 has_attribute(Surface self, SparseStringKey a0) -> bool
3422 has_attribute(Surface self, SparseParticleIndexKey a0) -> bool
3424 return _IMP_core.Surface_has_attribute(self, *args)
3426 def get_derivative(self, a0):
3427 r"""get_derivative(Surface self, FloatKey a0) -> double"""
3428 return _IMP_core.Surface_get_derivative(self, a0)
3431 r"""get_name(Surface self) -> std::string"""
3432 return _IMP_core.Surface_get_name(self)
3434 def clear_caches(self):
3435 r"""clear_caches(Surface self)"""
3436 return _IMP_core.Surface_clear_caches(self)
3438 def set_name(self, a0):
3439 r"""set_name(Surface self, std::string a0)"""
3440 return _IMP_core.Surface_set_name(self, a0)
3443 r"""set_check_level(Surface self, IMP::CheckLevel a0)"""
3444 return _IMP_core.Surface_set_check_level(self, a0)
3446 def add_to_derivative(self, a0, a1, a2):
3447 r"""add_to_derivative(Surface self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3448 return _IMP_core.Surface_add_to_derivative(self, a0, a1, a2)
3450 def set_is_optimized(self, a0, a1):
3451 r"""set_is_optimized(Surface self, FloatKey a0, bool a1)"""
3452 return _IMP_core.Surface_set_is_optimized(self, a0, a1)
3454 def get_is_optimized(self, a0):
3455 r"""get_is_optimized(Surface self, FloatKey a0) -> bool"""
3456 return _IMP_core.Surface_get_is_optimized(self, a0)
3459 r"""get_check_level(Surface self) -> IMP::CheckLevel"""
3460 return _IMP_core.Surface_get_check_level(self)
3462 def __eq__(self, *args):
3464 __eq__(Surface self, Surface o) -> bool
3465 __eq__(Surface self, Particle d) -> bool
3467 return _IMP_core.Surface___eq__(self, *args)
3469 def __ne__(self, *args):
3471 __ne__(Surface self, Surface o) -> bool
3472 __ne__(Surface self, Particle d) -> bool
3474 return _IMP_core.Surface___ne__(self, *args)
3476 def __le__(self, *args):
3478 __le__(Surface self, Surface o) -> bool
3479 __le__(Surface self, Particle d) -> bool
3481 return _IMP_core.Surface___le__(self, *args)
3483 def __lt__(self, *args):
3485 __lt__(Surface self, Surface o) -> bool
3486 __lt__(Surface self, Particle d) -> bool
3488 return _IMP_core.Surface___lt__(self, *args)
3490 def __ge__(self, *args):
3492 __ge__(Surface self, Surface o) -> bool
3493 __ge__(Surface self, Particle d) -> bool
3495 return _IMP_core.Surface___ge__(self, *args)
3497 def __gt__(self, *args):
3499 __gt__(Surface self, Surface o) -> bool
3500 __gt__(Surface self, Particle d) -> bool
3502 return _IMP_core.Surface___gt__(self, *args)
3505 r"""__hash__(Surface self) -> std::size_t"""
3506 return _IMP_core.Surface___hash__(self)
3509 r"""__str__(Surface self) -> std::string"""
3510 return _IMP_core.Surface___str__(self)
3513 r"""__repr__(Surface self) -> std::string"""
3514 return _IMP_core.Surface___repr__(self)
3516 def _get_as_binary(self):
3517 r"""_get_as_binary(Surface self) -> PyObject *"""
3518 return _IMP_core.Surface__get_as_binary(self)
3520 def _set_from_binary(self, p):
3521 r"""_set_from_binary(Surface self, PyObject * p)"""
3522 return _IMP_core.Surface__set_from_binary(self, p)
3524 def __getstate__(self):
3525 p = self._get_as_binary()
3526 if len(self.__dict__) > 1:
3527 d = self.__dict__.copy()
3532 def __setstate__(self, p):
3533 if not hasattr(self,
'this'):
3535 if isinstance(p, tuple):
3537 self.__dict__.update(d)
3538 return self._set_from_binary(p)
3540 __swig_destroy__ = _IMP_core.delete_Surface
3543 _IMP_core.Surface_swigregister(Surface)
3547 get_height(Surface s, XYZR d) -> double
3548 get_height(Surface s, XYZ d) -> double
3550 return _IMP_core.get_height(*args)
3554 get_depth(Surface s, XYZR d) -> double
3555 get_depth(Surface s, XYZ d) -> double
3557 return _IMP_core.get_depth(*args)
3561 get_distance(XYZ a, XYZ b) -> double
3562 get_distance(XYZR a, XYZR b) -> double
3563 get_distance(Surface s, XYZR d) -> double
3564 get_distance(Surface s, XYZ d) -> double
3566 return _IMP_core.get_distance(*args)
3568 r"""Proxy of C++ IMP::core::SurfaceGeometry class."""
3570 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3572 def __init__(self, *args):
3574 __init__(SurfaceGeometry self, std::string n="SurfaceGeometry") -> SurfaceGeometry
3575 __init__(SurfaceGeometry self, Surface s, std::string const n="SurfaceGeometry") -> SurfaceGeometry
3576 __init__(SurfaceGeometry self, Surface s, Color c, std::string n="SurfaceGeometry") -> SurfaceGeometry
3578 _IMP_core.SurfaceGeometry_swiginit(self, _IMP_core.new_SurfaceGeometry(*args))
3580 def get_geometry(self):
3581 r"""get_geometry(SurfaceGeometry self) -> Surface"""
3582 return _IMP_core.SurfaceGeometry_get_geometry(self)
3584 def set_geometry(self, s):
3585 r"""set_geometry(SurfaceGeometry self, Surface s)"""
3586 return _IMP_core.SurfaceGeometry_set_geometry(self, s)
3588 def get_version_info(self):
3589 r"""get_version_info(SurfaceGeometry self) -> VersionInfo"""
3590 return _IMP_core.SurfaceGeometry_get_version_info(self)
3591 __swig_destroy__ = _IMP_core.delete_SurfaceGeometry
3594 r"""__str__(SurfaceGeometry self) -> std::string"""
3595 return _IMP_core.SurfaceGeometry___str__(self)
3598 r"""__repr__(SurfaceGeometry self) -> std::string"""
3599 return _IMP_core.SurfaceGeometry___repr__(self)
3603 return _object_cast_to_SurfaceGeometry(o)
3607 _IMP_core.SurfaceGeometry_swigregister(SurfaceGeometry)
3610 r"""create_geometry(Surface s, std::string name=std::string("SurfaceGeometry%1%")) -> SurfaceGeometry"""
3611 return _IMP_core.create_geometry(*args)
3613 r"""Proxy of C++ IMP::core::SurfaceGeometryConstraint class."""
3615 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3617 def __init__(self, s, g):
3618 r"""__init__(SurfaceGeometryConstraint self, Surface s, SurfaceGeometry g) -> SurfaceGeometryConstraint"""
3619 _IMP_core.SurfaceGeometryConstraint_swiginit(self, _IMP_core.new_SurfaceGeometryConstraint(s, g))
3621 def get_surface(self):
3622 r"""get_surface(SurfaceGeometryConstraint self) -> Surface"""
3623 return _IMP_core.SurfaceGeometryConstraint_get_surface(self)
3625 def get_geometry(self):
3626 r"""get_geometry(SurfaceGeometryConstraint self) -> SurfaceGeometry"""
3627 return _IMP_core.SurfaceGeometryConstraint_get_geometry(self)
3629 def do_get_inputs(self):
3630 r"""do_get_inputs(SurfaceGeometryConstraint self) -> IMP::ModelObjectsTemp"""
3631 return _IMP_core.SurfaceGeometryConstraint_do_get_inputs(self)
3633 def do_get_outputs(self):
3634 r"""do_get_outputs(SurfaceGeometryConstraint self) -> IMP::ModelObjectsTemp"""
3635 return _IMP_core.SurfaceGeometryConstraint_do_get_outputs(self)
3637 def get_version_info(self):
3638 r"""get_version_info(SurfaceGeometryConstraint self) -> VersionInfo"""
3639 return _IMP_core.SurfaceGeometryConstraint_get_version_info(self)
3640 __swig_destroy__ = _IMP_core.delete_SurfaceGeometryConstraint
3643 r"""__str__(SurfaceGeometryConstraint self) -> std::string"""
3644 return _IMP_core.SurfaceGeometryConstraint___str__(self)
3647 r"""__repr__(SurfaceGeometryConstraint self) -> std::string"""
3648 return _IMP_core.SurfaceGeometryConstraint___repr__(self)
3652 return _object_cast_to_SurfaceGeometryConstraint(o)
3656 _IMP_core.SurfaceGeometryConstraint_swigregister(SurfaceGeometryConstraint)
3659 r"""get_constrained_surface_geometry(Surface s, std::string name="SurfaceGeometry%1%") -> SurfaceGeometry"""
3660 return _IMP_core.get_constrained_surface_geometry(*args)
3662 r"""Proxy of C++ IMP::core::LateralSurfaceConstraint class."""
3664 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3666 def __init__(self, s, d):
3667 r"""__init__(LateralSurfaceConstraint self, Surface s, XYZ d) -> LateralSurfaceConstraint"""
3668 _IMP_core.LateralSurfaceConstraint_swiginit(self, _IMP_core.new_LateralSurfaceConstraint(s, d))
3670 def do_get_inputs(self):
3671 r"""do_get_inputs(LateralSurfaceConstraint self) -> IMP::ModelObjectsTemp"""
3672 return _IMP_core.LateralSurfaceConstraint_do_get_inputs(self)
3674 def do_get_outputs(self):
3675 r"""do_get_outputs(LateralSurfaceConstraint self) -> IMP::ModelObjectsTemp"""
3676 return _IMP_core.LateralSurfaceConstraint_do_get_outputs(self)
3678 def get_version_info(self):
3679 r"""get_version_info(LateralSurfaceConstraint self) -> VersionInfo"""
3680 return _IMP_core.LateralSurfaceConstraint_get_version_info(self)
3681 __swig_destroy__ = _IMP_core.delete_LateralSurfaceConstraint
3684 r"""__str__(LateralSurfaceConstraint self) -> std::string"""
3685 return _IMP_core.LateralSurfaceConstraint___str__(self)
3688 r"""__repr__(LateralSurfaceConstraint self) -> std::string"""
3689 return _IMP_core.LateralSurfaceConstraint___repr__(self)
3693 return _object_cast_to_LateralSurfaceConstraint(o)
3697 _IMP_core.LateralSurfaceConstraint_swigregister(LateralSurfaceConstraint)
3699 r"""Proxy of C++ IMP::core::AngleTripletScore class."""
3701 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3703 def __init__(self, *args):
3705 __init__(AngleTripletScore self, UnaryFunction f) -> AngleTripletScore
3706 __init__(AngleTripletScore self) -> AngleTripletScore
3708 _IMP_core.AngleTripletScore_swiginit(self, _IMP_core.new_AngleTripletScore(*args))
3710 def do_get_inputs(self, m, pis):
3711 r"""do_get_inputs(AngleTripletScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3712 return _IMP_core.AngleTripletScore_do_get_inputs(self, m, pis)
3714 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
3715 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"""
3716 return _IMP_core.AngleTripletScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
3718 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
3719 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"""
3720 return _IMP_core.AngleTripletScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
3722 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
3723 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"""
3724 return _IMP_core.AngleTripletScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
3726 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3727 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"""
3728 return _IMP_core.AngleTripletScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3730 def get_version_info(self):
3731 r"""get_version_info(AngleTripletScore self) -> VersionInfo"""
3732 return _IMP_core.AngleTripletScore_get_version_info(self)
3733 __swig_destroy__ = _IMP_core.delete_AngleTripletScore
3736 r"""__str__(AngleTripletScore self) -> std::string"""
3737 return _IMP_core.AngleTripletScore___str__(self)
3740 r"""__repr__(AngleTripletScore self) -> std::string"""
3741 return _IMP_core.AngleTripletScore___repr__(self)
3745 return _object_cast_to_AngleTripletScore(o)
3748 def _get_as_binary(self):
3749 r"""_get_as_binary(AngleTripletScore self) -> PyObject *"""
3750 return _IMP_core.AngleTripletScore__get_as_binary(self)
3752 def _set_from_binary(self, p):
3753 r"""_set_from_binary(AngleTripletScore self, PyObject * p)"""
3754 return _IMP_core.AngleTripletScore__set_from_binary(self, p)
3756 def __getstate__(self):
3757 p = self._get_as_binary()
3758 if len(self.__dict__) > 1:
3759 d = self.__dict__.copy()
3764 def __setstate__(self, p):
3765 if not hasattr(self,
'this'):
3767 if isinstance(p, tuple):
3769 self.__dict__.update(d)
3770 return self._set_from_binary(p)
3774 _IMP_core.AngleTripletScore_swigregister(AngleTripletScore)
3775 class BallMover(MonteCarloMover):
3776 r"""Proxy of C++ IMP::core::BallMover class."""
3778 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3780 def __init__(self, *args):
3782 __init__(BallMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double radius) -> BallMover
3783 __init__(BallMover self, Model m, ParticleIndex pi, double radius) -> BallMover
3784 __init__(BallMover self, Model m, IMP::ParticleIndexes const & pis, IMP::FloatKeys const & vars, IMP::Float radius) -> BallMover
3785 __init__(BallMover self, Model m, IMP::ParticleIndexes const & pis, IMP::Float radius) -> BallMover
3786 __init__(BallMover self) -> BallMover
3788 _IMP_core.BallMover_swiginit(self, _IMP_core.new_BallMover(*args))
3790 def set_radius(self, radius):
3791 r"""set_radius(BallMover self, IMP::Float radius)"""
3792 return _IMP_core.BallMover_set_radius(self, radius)
3794 def get_radius(self):
3795 r"""get_radius(BallMover self) -> IMP::Float"""
3796 return _IMP_core.BallMover_get_radius(self)
3799 r"""get_indexes(BallMover self) -> IMP::ParticleIndexes"""
3800 return _IMP_core.BallMover_get_indexes(self)
3803 r"""get_keys(BallMover self) -> IMP::FloatKeys"""
3804 return _IMP_core.BallMover_get_keys(self)
3806 def get_version_info(self):
3807 r"""get_version_info(BallMover self) -> VersionInfo"""
3808 return _IMP_core.BallMover_get_version_info(self)
3809 __swig_destroy__ = _IMP_core.delete_BallMover
3812 r"""__str__(BallMover self) -> std::string"""
3813 return _IMP_core.BallMover___str__(self)
3816 r"""__repr__(BallMover self) -> std::string"""
3817 return _IMP_core.BallMover___repr__(self)
3821 return _object_cast_to_BallMover(o)
3824 def _get_as_binary(self):
3825 r"""_get_as_binary(BallMover self) -> PyObject *"""
3826 return _IMP_core.BallMover__get_as_binary(self)
3828 def _set_from_binary(self, p):
3829 r"""_set_from_binary(BallMover self, PyObject * p)"""
3830 return _IMP_core.BallMover__set_from_binary(self, p)
3832 def __getstate__(self):
3833 p = self._get_as_binary()
3834 if len(self.__dict__) > 1:
3835 d = self.__dict__.copy()
3840 def __setstate__(self, p):
3841 if not hasattr(self,
'this'):
3843 if isinstance(p, tuple):
3845 self.__dict__.update(d)
3846 return self._set_from_binary(p)
3851 from IMP.algebra._jax_util
import get_random_vector_in_3d_sphere
3852 indexes = self.get_indexes()
3853 keys = frozenset(self.get_keys())
3855 raise NotImplementedError(
"Only works for XYZ")
3856 radius = self.get_radius()
3861 def propose_func(jm, key):
3862 key, subkey = jax.random.split(key)
3863 v = get_random_vector_in_3d_sphere(subkey, radius)
3864 jm[
'xyz'] = jm[
'xyz'].at[indexes].add(v)
3866 return self._wrap_jax(init_func, propose_func)
3870 _IMP_core.BallMover_swigregister(BallMover)
3871 class SerialMover(MonteCarloMover):
3872 r"""Proxy of C++ IMP::core::SerialMover class."""
3874 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3876 def __init__(self, *args):
3878 __init__(SerialMover self, IMP::core::MonteCarloMoversTemp const & mvs) -> SerialMover
3879 __init__(SerialMover self) -> SerialMover
3881 _IMP_core.SerialMover_swiginit(self, _IMP_core.new_SerialMover(*args))
3883 def get_movers(self):
3884 r"""get_movers(SerialMover self) -> IMP::core::MonteCarloMovers const &"""
3885 return _IMP_core.SerialMover_get_movers(self)
3887 def get_version_info(self):
3888 r"""get_version_info(SerialMover self) -> VersionInfo"""
3889 return _IMP_core.SerialMover_get_version_info(self)
3890 __swig_destroy__ = _IMP_core.delete_SerialMover
3893 r"""__str__(SerialMover self) -> std::string"""
3894 return _IMP_core.SerialMover___str__(self)
3897 r"""__repr__(SerialMover self) -> std::string"""
3898 return _IMP_core.SerialMover___repr__(self)
3902 return _object_cast_to_SerialMover(o)
3905 def _get_as_binary(self):
3906 r"""_get_as_binary(SerialMover self) -> PyObject *"""
3907 return _IMP_core.SerialMover__get_as_binary(self)
3909 def _set_from_binary(self, p):
3910 r"""_set_from_binary(SerialMover self, PyObject * p)"""
3911 return _IMP_core.SerialMover__set_from_binary(self, p)
3913 def __getstate__(self):
3914 p = self._get_as_binary()
3915 if len(self.__dict__) > 1:
3916 d = self.__dict__.copy()
3921 def __setstate__(self, p):
3922 if not hasattr(self,
'this'):
3924 if isinstance(p, tuple):
3926 self.__dict__.update(d)
3927 return self._set_from_binary(p)
3933 from IMP.core._jax_util
import _SerialMover
3934 movers = [m.get_derived_object()._get_jax()
3935 for m
in self.get_movers()]
3937 def sub_propose_func(jm, sms, i):
3938 """Call the propose_func of the ith mover"""
3939 jm, sms.mover_state[i], ratio = movers[i].propose_func(
3940 jm, sms.mover_state[i])
3941 return jm, sms, ratio
3943 sub_propose_funcs = [functools.partial(sub_propose_func, i=i)
3944 for i
in range(len(movers))]
3950 key, subkey = jax.random.split(key)
3951 mover_state.append(m.init_func(subkey))
3952 return _SerialMover(imov=-1, mover_state=mover_state)
3954 def propose_func(jm, sms):
3955 sms.imov = jax.lax.min(sms.imov + 1, len(movers) - 1)
3956 return jax.lax.switch(sms.imov, sub_propose_funcs, jm, sms)
3957 return self._wrap_jax(init_func, propose_func)
3961 _IMP_core.SerialMover_swigregister(SerialMover)
3962 class SubsetMover(MonteCarloMover):
3963 r"""Proxy of C++ IMP::core::SubsetMover class."""
3965 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3967 def __init__(self, *args):
3969 __init__(SubsetMover self, IMP::core::MonteCarloMoversTemp const & mvs, unsigned int n) -> SubsetMover
3970 __init__(SubsetMover self) -> SubsetMover
3972 _IMP_core.SubsetMover_swiginit(self, _IMP_core.new_SubsetMover(*args))
3974 def get_movers(self):
3975 r"""get_movers(SubsetMover self) -> IMP::core::MonteCarloMovers const &"""
3976 return _IMP_core.SubsetMover_get_movers(self)
3978 def get_subset_size(self):
3979 r"""get_subset_size(SubsetMover self) -> unsigned int"""
3980 return _IMP_core.SubsetMover_get_subset_size(self)
3982 def get_version_info(self):
3983 r"""get_version_info(SubsetMover self) -> VersionInfo"""
3984 return _IMP_core.SubsetMover_get_version_info(self)
3985 __swig_destroy__ = _IMP_core.delete_SubsetMover
3988 r"""__str__(SubsetMover self) -> std::string"""
3989 return _IMP_core.SubsetMover___str__(self)
3992 r"""__repr__(SubsetMover self) -> std::string"""
3993 return _IMP_core.SubsetMover___repr__(self)
3997 return _object_cast_to_SubsetMover(o)
4000 def _get_as_binary(self):
4001 r"""_get_as_binary(SubsetMover self) -> PyObject *"""
4002 return _IMP_core.SubsetMover__get_as_binary(self)
4004 def _set_from_binary(self, p):
4005 r"""_set_from_binary(SubsetMover self, PyObject * p)"""
4006 return _IMP_core.SubsetMover__set_from_binary(self, p)
4008 def __getstate__(self):
4009 p = self._get_as_binary()
4010 if len(self.__dict__) > 1:
4011 d = self.__dict__.copy()
4016 def __setstate__(self, p):
4017 if not hasattr(self,
'this'):
4019 if isinstance(p, tuple):
4021 self.__dict__.update(d)
4022 return self._set_from_binary(p)
4026 _IMP_core.SubsetMover_swigregister(SubsetMover)
4027 class DirectionMover(MonteCarloMover):
4028 r"""Proxy of C++ IMP::core::DirectionMover class."""
4030 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4032 def __init__(self, *args):
4034 __init__(DirectionMover self, Model m, ParticleIndex pi, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4035 __init__(DirectionMover self, Direction d, IMP::Float max_rotation, IMP::Float reflect_probability) -> DirectionMover
4036 __init__(DirectionMover self) -> DirectionMover
4038 _IMP_core.DirectionMover_swiginit(self, _IMP_core.new_DirectionMover(*args))
4040 def set_maximum_rotation(self, mr):
4041 r"""set_maximum_rotation(DirectionMover self, IMP::Float mr)"""
4042 return _IMP_core.DirectionMover_set_maximum_rotation(self, mr)
4044 def set_reflect_probability(self, rp):
4045 r"""set_reflect_probability(DirectionMover self, IMP::Float rp)"""
4046 return _IMP_core.DirectionMover_set_reflect_probability(self, rp)
4048 def get_maximum_rotation(self):
4049 r"""get_maximum_rotation(DirectionMover self) -> IMP::Float"""
4050 return _IMP_core.DirectionMover_get_maximum_rotation(self)
4052 def get_reflect_probability(self):
4053 r"""get_reflect_probability(DirectionMover self) -> IMP::Float"""
4054 return _IMP_core.DirectionMover_get_reflect_probability(self)
4056 def get_direction(self):
4057 r"""get_direction(DirectionMover self) -> Direction"""
4058 return _IMP_core.DirectionMover_get_direction(self)
4060 def get_version_info(self):
4061 r"""get_version_info(DirectionMover self) -> VersionInfo"""
4062 return _IMP_core.DirectionMover_get_version_info(self)
4063 __swig_destroy__ = _IMP_core.delete_DirectionMover
4066 r"""__str__(DirectionMover self) -> std::string"""
4067 return _IMP_core.DirectionMover___str__(self)
4070 r"""__repr__(DirectionMover self) -> std::string"""
4071 return _IMP_core.DirectionMover___repr__(self)
4075 return _object_cast_to_DirectionMover(o)
4078 def _get_as_binary(self):
4079 r"""_get_as_binary(DirectionMover self) -> PyObject *"""
4080 return _IMP_core.DirectionMover__get_as_binary(self)
4082 def _set_from_binary(self, p):
4083 r"""_set_from_binary(DirectionMover self, PyObject * p)"""
4084 return _IMP_core.DirectionMover__set_from_binary(self, p)
4086 def __getstate__(self):
4087 p = self._get_as_binary()
4088 if len(self.__dict__) > 1:
4089 d = self.__dict__.copy()
4094 def __setstate__(self, p):
4095 if not hasattr(self,
'this'):
4097 if isinstance(p, tuple):
4099 self.__dict__.update(d)
4100 return self._set_from_binary(p)
4104 _IMP_core.DirectionMover_swigregister(DirectionMover)
4105 class SurfaceMover(MonteCarloMover):
4106 r"""Proxy of C++ IMP::core::SurfaceMover class."""
4108 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4110 def __init__(self, *args):
4112 __init__(SurfaceMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4113 __init__(SurfaceMover self, Surface s, IMP::Float max_translation, IMP::Float max_rotation, IMP::Float reflect_probability) -> SurfaceMover
4114 __init__(SurfaceMover self) -> SurfaceMover
4116 _IMP_core.SurfaceMover_swiginit(self, _IMP_core.new_SurfaceMover(*args))
4118 def set_maximum_translation(self, mt):
4119 r"""set_maximum_translation(SurfaceMover self, IMP::Float mt)"""
4120 return _IMP_core.SurfaceMover_set_maximum_translation(self, mt)
4122 def set_maximum_rotation(self, mr):
4123 r"""set_maximum_rotation(SurfaceMover self, IMP::Float mr)"""
4124 return _IMP_core.SurfaceMover_set_maximum_rotation(self, mr)
4126 def set_reflect_probability(self, rp):
4127 r"""set_reflect_probability(SurfaceMover self, IMP::Float rp)"""
4128 return _IMP_core.SurfaceMover_set_reflect_probability(self, rp)
4130 def get_maximum_translation(self):
4131 r"""get_maximum_translation(SurfaceMover self) -> IMP::Float"""
4132 return _IMP_core.SurfaceMover_get_maximum_translation(self)
4134 def get_maximum_rotation(self):
4135 r"""get_maximum_rotation(SurfaceMover self) -> IMP::Float"""
4136 return _IMP_core.SurfaceMover_get_maximum_rotation(self)
4138 def get_reflect_probability(self):
4139 r"""get_reflect_probability(SurfaceMover self) -> IMP::Float"""
4140 return _IMP_core.SurfaceMover_get_reflect_probability(self)
4142 def get_surface(self):
4143 r"""get_surface(SurfaceMover self) -> Surface"""
4144 return _IMP_core.SurfaceMover_get_surface(self)
4146 def get_version_info(self):
4147 r"""get_version_info(SurfaceMover self) -> VersionInfo"""
4148 return _IMP_core.SurfaceMover_get_version_info(self)
4149 __swig_destroy__ = _IMP_core.delete_SurfaceMover
4152 r"""__str__(SurfaceMover self) -> std::string"""
4153 return _IMP_core.SurfaceMover___str__(self)
4156 r"""__repr__(SurfaceMover self) -> std::string"""
4157 return _IMP_core.SurfaceMover___repr__(self)
4161 return _object_cast_to_SurfaceMover(o)
4164 def _get_as_binary(self):
4165 r"""_get_as_binary(SurfaceMover self) -> PyObject *"""
4166 return _IMP_core.SurfaceMover__get_as_binary(self)
4168 def _set_from_binary(self, p):
4169 r"""_set_from_binary(SurfaceMover self, PyObject * p)"""
4170 return _IMP_core.SurfaceMover__set_from_binary(self, p)
4172 def __getstate__(self):
4173 p = self._get_as_binary()
4174 if len(self.__dict__) > 1:
4175 d = self.__dict__.copy()
4180 def __setstate__(self, p):
4181 if not hasattr(self,
'this'):
4183 if isinstance(p, tuple):
4185 self.__dict__.update(d)
4186 return self._set_from_binary(p)
4190 _IMP_core.SurfaceMover_swigregister(SurfaceMover)
4191 class BoxSweepClosePairsFinder(ClosePairsFinder):
4192 r"""Proxy of C++ IMP::core::BoxSweepClosePairsFinder class."""
4194 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4197 r"""__init__(BoxSweepClosePairsFinder self) -> BoxSweepClosePairsFinder"""
4198 _IMP_core.BoxSweepClosePairsFinder_swiginit(self, _IMP_core.new_BoxSweepClosePairsFinder())
4200 def get_close_pairs(self, *args):
4202 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4203 get_close_pairs(BoxSweepClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
4204 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
4205 get_close_pairs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
4207 return _IMP_core.BoxSweepClosePairsFinder_get_close_pairs(self, *args)
4209 def do_get_inputs(self, m, pis):
4210 r"""do_get_inputs(BoxSweepClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4211 return _IMP_core.BoxSweepClosePairsFinder_do_get_inputs(self, m, pis)
4213 def get_version_info(self):
4214 r"""get_version_info(BoxSweepClosePairsFinder self) -> VersionInfo"""
4215 return _IMP_core.BoxSweepClosePairsFinder_get_version_info(self)
4216 __swig_destroy__ = _IMP_core.delete_BoxSweepClosePairsFinder
4219 r"""__str__(BoxSweepClosePairsFinder self) -> std::string"""
4220 return _IMP_core.BoxSweepClosePairsFinder___str__(self)
4223 r"""__repr__(BoxSweepClosePairsFinder self) -> std::string"""
4224 return _IMP_core.BoxSweepClosePairsFinder___repr__(self)
4228 return _object_cast_to_BoxSweepClosePairsFinder(o)
4232 _IMP_core.BoxSweepClosePairsFinder_swigregister(BoxSweepClosePairsFinder)
4234 r"""Proxy of C++ IMP::core::CentroidOfRefined class."""
4236 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4238 def __init__(self, *args):
4239 r"""__init__(CentroidOfRefined self, Refiner r, FloatKey weight=IMP::FloatKey(), IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> CentroidOfRefined"""
4240 _IMP_core.CentroidOfRefined_swiginit(self, _IMP_core.new_CentroidOfRefined(*args))
4242 def get_refiner(self):
4243 r"""get_refiner(CentroidOfRefined self) -> Refiner"""
4244 return _IMP_core.CentroidOfRefined_get_refiner(self)
4246 def get_weight(self):
4247 r"""get_weight(CentroidOfRefined self) -> FloatKey"""
4248 return _IMP_core.CentroidOfRefined_get_weight(self)
4251 r"""get_keys(CentroidOfRefined self) -> IMP::FloatKeys"""
4252 return _IMP_core.CentroidOfRefined_get_keys(self)
4254 def get_is_weight_null(self):
4255 r"""get_is_weight_null(CentroidOfRefined self) -> bool"""
4256 return _IMP_core.CentroidOfRefined_get_is_weight_null(self)
4258 def do_get_inputs(self, m, pis):
4259 r"""do_get_inputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4260 return _IMP_core.CentroidOfRefined_do_get_inputs(self, m, pis)
4262 def do_get_outputs(self, m, pis):
4263 r"""do_get_outputs(CentroidOfRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4264 return _IMP_core.CentroidOfRefined_do_get_outputs(self, m, pis)
4266 def get_version_info(self):
4267 r"""get_version_info(CentroidOfRefined self) -> VersionInfo"""
4268 return _IMP_core.CentroidOfRefined_get_version_info(self)
4269 __swig_destroy__ = _IMP_core.delete_CentroidOfRefined
4272 r"""__str__(CentroidOfRefined self) -> std::string"""
4273 return _IMP_core.CentroidOfRefined___str__(self)
4276 r"""__repr__(CentroidOfRefined self) -> std::string"""
4277 return _IMP_core.CentroidOfRefined___repr__(self)
4281 return _object_cast_to_CentroidOfRefined(o)
4284 def _get_jax(self, m, indexes):
4285 import jax.numpy
as jnp
4288 for index
in indexes]
4290 def apply_func_unweighted(jm):
4291 for ind, ref
in zip(indexes, refined):
4293 jm[
'xyz'] = xyz.at[ind].set(jnp.average(xyz[ref], axis=0))
4296 def apply_func_weighted(jm, weight_key):
4297 for ind, ref
in zip(indexes, refined):
4299 weights = jm[weight_key][ref]
4300 jm[
'xyz'] = xyz.at[ind].set(
4301 jnp.average(xyz[ref], axis=0, weights=weights))
4304 keys = frozenset(self.get_keys())
4306 raise NotImplementedError(
"Only works for XYZ")
4308 if self.get_is_weight_null():
4309 return self._wrap_jax(apply_func_unweighted)
4311 weight_key = self.get_weight()
4312 return self._wrap_jax(
4313 functools.partial(apply_func_weighted,
4314 weight_key=weight_key.get_string()),
4319 _IMP_core.CentroidOfRefined_swigregister(CentroidOfRefined)
4320 class Centroid(XYZ):
4321 r"""Proxy of C++ IMP::core::Centroid class."""
4323 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4325 def get_constraint(self):
4326 r"""get_constraint(Centroid self) -> Constraint"""
4327 return _IMP_core.Centroid_get_constraint(self)
4329 def __init__(self, *args):
4331 __init__(Centroid self) -> Centroid
4332 __init__(Centroid self, Model m, ParticleIndex id) -> Centroid
4333 __init__(Centroid self, _ParticleAdaptor d) -> Centroid
4335 _IMP_core.Centroid_swiginit(self, _IMP_core.new_Centroid(*args))
4337 def show(self, *args):
4338 r"""show(Centroid self, _ostream out=std::cout)"""
4339 return _IMP_core.Centroid_show(self, *args)
4342 def setup_particle(*args):
4344 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Centroid
4345 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Centroid
4346 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Centroid
4347 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Centroid
4349 return _IMP_core.Centroid_setup_particle(*args)
4352 def get_is_setup(*args):
4354 get_is_setup(_ParticleAdaptor p) -> bool
4355 get_is_setup(Model m, ParticleIndex pi) -> bool
4357 return _IMP_core.Centroid_get_is_setup(*args)
4359 def add_attribute(self, *args):
4361 add_attribute(Centroid self, FloatKey k, IMP::Float v, bool opt)
4362 add_attribute(Centroid self, FloatKey a0, IMP::Float a1)
4363 add_attribute(Centroid self, IntKey a0, IMP::Int a1)
4364 add_attribute(Centroid self, FloatsKey a0, IMP::Floats a1)
4365 add_attribute(Centroid self, IntsKey a0, IMP::Ints a1)
4366 add_attribute(Centroid self, StringKey a0, IMP::String a1)
4367 add_attribute(Centroid self, ParticleIndexKey a0, Particle a1)
4368 add_attribute(Centroid self, ObjectKey a0, Object a1)
4369 add_attribute(Centroid self, SparseFloatKey a0, IMP::Float a1)
4370 add_attribute(Centroid self, SparseIntKey a0, IMP::Int a1)
4371 add_attribute(Centroid self, SparseStringKey a0, IMP::String a1)
4372 add_attribute(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4374 return _IMP_core.Centroid_add_attribute(self, *args)
4376 def get_value(self, *args):
4378 get_value(Centroid self, FloatKey a0) -> IMP::Float
4379 get_value(Centroid self, IntKey a0) -> IMP::Int
4380 get_value(Centroid self, FloatsKey a0) -> IMP::Floats
4381 get_value(Centroid self, IntsKey a0) -> IMP::Ints
4382 get_value(Centroid self, StringKey a0) -> IMP::String
4383 get_value(Centroid self, ParticleIndexKey a0) -> Particle
4384 get_value(Centroid self, ObjectKey a0) -> Object
4385 get_value(Centroid self, SparseFloatKey a0) -> IMP::Float
4386 get_value(Centroid self, SparseIntKey a0) -> IMP::Int
4387 get_value(Centroid self, SparseStringKey a0) -> IMP::String
4388 get_value(Centroid self, SparseParticleIndexKey a0) -> ParticleIndex
4390 return _IMP_core.Centroid_get_value(self, *args)
4392 def set_value(self, *args):
4394 set_value(Centroid self, FloatKey a0, IMP::Float a1)
4395 set_value(Centroid self, IntKey a0, IMP::Int a1)
4396 set_value(Centroid self, FloatsKey a0, IMP::Floats a1)
4397 set_value(Centroid self, IntsKey a0, IMP::Ints a1)
4398 set_value(Centroid self, StringKey a0, IMP::String a1)
4399 set_value(Centroid self, ParticleIndexKey a0, Particle a1)
4400 set_value(Centroid self, ObjectKey a0, Object a1)
4401 set_value(Centroid self, SparseFloatKey a0, IMP::Float a1)
4402 set_value(Centroid self, SparseIntKey a0, IMP::Int a1)
4403 set_value(Centroid self, SparseStringKey a0, IMP::String a1)
4404 set_value(Centroid self, SparseParticleIndexKey a0, ParticleIndex a1)
4406 return _IMP_core.Centroid_set_value(self, *args)
4408 def remove_attribute(self, *args):
4410 remove_attribute(Centroid self, FloatKey a0)
4411 remove_attribute(Centroid self, IntKey a0)
4412 remove_attribute(Centroid self, FloatsKey a0)
4413 remove_attribute(Centroid self, IntsKey a0)
4414 remove_attribute(Centroid self, StringKey a0)
4415 remove_attribute(Centroid self, ParticleIndexKey a0)
4416 remove_attribute(Centroid self, ObjectKey a0)
4417 remove_attribute(Centroid self, SparseFloatKey a0)
4418 remove_attribute(Centroid self, SparseIntKey a0)
4419 remove_attribute(Centroid self, SparseStringKey a0)
4420 remove_attribute(Centroid self, SparseParticleIndexKey a0)
4422 return _IMP_core.Centroid_remove_attribute(self, *args)
4424 def has_attribute(self, *args):
4426 has_attribute(Centroid self, FloatKey a0) -> bool
4427 has_attribute(Centroid self, IntKey a0) -> bool
4428 has_attribute(Centroid self, FloatsKey a0) -> bool
4429 has_attribute(Centroid self, IntsKey a0) -> bool
4430 has_attribute(Centroid self, StringKey a0) -> bool
4431 has_attribute(Centroid self, ParticleIndexKey a0) -> bool
4432 has_attribute(Centroid self, ObjectKey a0) -> bool
4433 has_attribute(Centroid self, SparseFloatKey a0) -> bool
4434 has_attribute(Centroid self, SparseIntKey a0) -> bool
4435 has_attribute(Centroid self, SparseStringKey a0) -> bool
4436 has_attribute(Centroid self, SparseParticleIndexKey a0) -> bool
4438 return _IMP_core.Centroid_has_attribute(self, *args)
4440 def get_derivative(self, a0):
4441 r"""get_derivative(Centroid self, FloatKey a0) -> double"""
4442 return _IMP_core.Centroid_get_derivative(self, a0)
4445 r"""get_name(Centroid self) -> std::string"""
4446 return _IMP_core.Centroid_get_name(self)
4448 def clear_caches(self):
4449 r"""clear_caches(Centroid self)"""
4450 return _IMP_core.Centroid_clear_caches(self)
4452 def set_name(self, a0):
4453 r"""set_name(Centroid self, std::string a0)"""
4454 return _IMP_core.Centroid_set_name(self, a0)
4457 r"""set_check_level(Centroid self, IMP::CheckLevel a0)"""
4458 return _IMP_core.Centroid_set_check_level(self, a0)
4460 def add_to_derivative(self, a0, a1, a2):
4461 r"""add_to_derivative(Centroid self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4462 return _IMP_core.Centroid_add_to_derivative(self, a0, a1, a2)
4464 def set_is_optimized(self, a0, a1):
4465 r"""set_is_optimized(Centroid self, FloatKey a0, bool a1)"""
4466 return _IMP_core.Centroid_set_is_optimized(self, a0, a1)
4468 def get_is_optimized(self, a0):
4469 r"""get_is_optimized(Centroid self, FloatKey a0) -> bool"""
4470 return _IMP_core.Centroid_get_is_optimized(self, a0)
4473 r"""get_check_level(Centroid self) -> IMP::CheckLevel"""
4474 return _IMP_core.Centroid_get_check_level(self)
4476 def __eq__(self, *args):
4478 __eq__(Centroid self, Centroid o) -> bool
4479 __eq__(Centroid self, Particle d) -> bool
4481 return _IMP_core.Centroid___eq__(self, *args)
4483 def __ne__(self, *args):
4485 __ne__(Centroid self, Centroid o) -> bool
4486 __ne__(Centroid self, Particle d) -> bool
4488 return _IMP_core.Centroid___ne__(self, *args)
4490 def __le__(self, *args):
4492 __le__(Centroid self, Centroid o) -> bool
4493 __le__(Centroid self, Particle d) -> bool
4495 return _IMP_core.Centroid___le__(self, *args)
4497 def __lt__(self, *args):
4499 __lt__(Centroid self, Centroid o) -> bool
4500 __lt__(Centroid self, Particle d) -> bool
4502 return _IMP_core.Centroid___lt__(self, *args)
4504 def __ge__(self, *args):
4506 __ge__(Centroid self, Centroid o) -> bool
4507 __ge__(Centroid self, Particle d) -> bool
4509 return _IMP_core.Centroid___ge__(self, *args)
4511 def __gt__(self, *args):
4513 __gt__(Centroid self, Centroid o) -> bool
4514 __gt__(Centroid self, Particle d) -> bool
4516 return _IMP_core.Centroid___gt__(self, *args)
4519 r"""__hash__(Centroid self) -> std::size_t"""
4520 return _IMP_core.Centroid___hash__(self)
4523 r"""__str__(Centroid self) -> std::string"""
4524 return _IMP_core.Centroid___str__(self)
4527 r"""__repr__(Centroid self) -> std::string"""
4528 return _IMP_core.Centroid___repr__(self)
4530 def _get_as_binary(self):
4531 r"""_get_as_binary(Centroid self) -> PyObject *"""
4532 return _IMP_core.Centroid__get_as_binary(self)
4534 def _set_from_binary(self, p):
4535 r"""_set_from_binary(Centroid self, PyObject * p)"""
4536 return _IMP_core.Centroid__set_from_binary(self, p)
4538 def __getstate__(self):
4539 p = self._get_as_binary()
4540 if len(self.__dict__) > 1:
4541 d = self.__dict__.copy()
4546 def __setstate__(self, p):
4547 if not hasattr(self,
'this'):
4549 if isinstance(p, tuple):
4551 self.__dict__.update(d)
4552 return self._set_from_binary(p)
4554 __swig_destroy__ = _IMP_core.delete_Centroid
4557 _IMP_core.Centroid_swigregister(Centroid)
4559 r"""Proxy of C++ IMP::core::ChecksScoreState class."""
4561 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4563 def __init__(self, *args):
4565 __init__(ChecksScoreState self, Model m, double probability) -> ChecksScoreState
4566 __init__(ChecksScoreState self) -> ChecksScoreState
4568 _IMP_core.ChecksScoreState_swiginit(self, _IMP_core.new_ChecksScoreState(*args))
4570 def get_number_of_checked(self):
4571 r"""get_number_of_checked(ChecksScoreState self) -> unsigned int"""
4572 return _IMP_core.ChecksScoreState_get_number_of_checked(self)
4574 def do_before_evaluate(self):
4575 r"""do_before_evaluate(ChecksScoreState self)"""
4576 return _IMP_core.ChecksScoreState_do_before_evaluate(self)
4578 def do_after_evaluate(self, da):
4579 r"""do_after_evaluate(ChecksScoreState self, DerivativeAccumulator da)"""
4580 return _IMP_core.ChecksScoreState_do_after_evaluate(self, da)
4582 def do_get_outputs(self):
4583 r"""do_get_outputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4584 return _IMP_core.ChecksScoreState_do_get_outputs(self)
4586 def do_get_inputs(self):
4587 r"""do_get_inputs(ChecksScoreState self) -> IMP::ModelObjectsTemp"""
4588 return _IMP_core.ChecksScoreState_do_get_inputs(self)
4590 def get_version_info(self):
4591 r"""get_version_info(ChecksScoreState self) -> VersionInfo"""
4592 return _IMP_core.ChecksScoreState_get_version_info(self)
4593 __swig_destroy__ = _IMP_core.delete_ChecksScoreState
4596 r"""__str__(ChecksScoreState self) -> std::string"""
4597 return _IMP_core.ChecksScoreState___str__(self)
4600 r"""__repr__(ChecksScoreState self) -> std::string"""
4601 return _IMP_core.ChecksScoreState___repr__(self)
4605 return _object_cast_to_ChecksScoreState(o)
4608 def _get_as_binary(self):
4609 r"""_get_as_binary(ChecksScoreState self) -> PyObject *"""
4610 return _IMP_core.ChecksScoreState__get_as_binary(self)
4612 def _set_from_binary(self, p):
4613 r"""_set_from_binary(ChecksScoreState self, PyObject * p)"""
4614 return _IMP_core.ChecksScoreState__set_from_binary(self, p)
4616 def __getstate__(self):
4617 p = self._get_as_binary()
4618 if len(self.__dict__) > 1:
4619 d = self.__dict__.copy()
4624 def __setstate__(self, p):
4625 if not hasattr(self,
'this'):
4627 if isinstance(p, tuple):
4629 self.__dict__.update(d)
4630 return self._set_from_binary(p)
4634 _IMP_core.ChecksScoreState_swigregister(ChecksScoreState)
4636 r"""Proxy of C++ IMP::core::ChildrenRefiner class."""
4638 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4640 def __init__(self, tr):
4641 r"""__init__(ChildrenRefiner self, HierarchyTraits tr) -> ChildrenRefiner"""
4642 _IMP_core.ChildrenRefiner_swiginit(self, _IMP_core.new_ChildrenRefiner(tr))
4644 def do_get_inputs(self, m, pis):
4645 r"""do_get_inputs(ChildrenRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4646 return _IMP_core.ChildrenRefiner_do_get_inputs(self, m, pis)
4648 def get_version_info(self):
4649 r"""get_version_info(ChildrenRefiner self) -> VersionInfo"""
4650 return _IMP_core.ChildrenRefiner_get_version_info(self)
4651 __swig_destroy__ = _IMP_core.delete_ChildrenRefiner
4654 r"""__str__(ChildrenRefiner self) -> std::string"""
4655 return _IMP_core.ChildrenRefiner___str__(self)
4658 r"""__repr__(ChildrenRefiner self) -> std::string"""
4659 return _IMP_core.ChildrenRefiner___repr__(self)
4663 return _object_cast_to_ChildrenRefiner(o)
4667 _IMP_core.ChildrenRefiner_swigregister(ChildrenRefiner)
4669 r"""Proxy of C++ IMP::core::ClosedCubicSpline class."""
4671 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4673 def __init__(self, values, minrange, spacing):
4674 r"""__init__(ClosedCubicSpline self, IMP::Floats const & values, double minrange, double spacing) -> ClosedCubicSpline"""
4675 _IMP_core.ClosedCubicSpline_swiginit(self, _IMP_core.new_ClosedCubicSpline(values, minrange, spacing))
4677 def get_version_info(self):
4678 r"""get_version_info(ClosedCubicSpline self) -> VersionInfo"""
4679 return _IMP_core.ClosedCubicSpline_get_version_info(self)
4680 __swig_destroy__ = _IMP_core.delete_ClosedCubicSpline
4682 def do_show(self, out):
4683 r"""do_show(ClosedCubicSpline self, _ostream out)"""
4684 return _IMP_core.ClosedCubicSpline_do_show(self, out)
4686 def get_minrange(self):
4687 r"""get_minrange(ClosedCubicSpline self) -> IMP::Float"""
4688 return _IMP_core.ClosedCubicSpline_get_minrange(self)
4690 def get_spacing(self):
4691 r"""get_spacing(ClosedCubicSpline self) -> IMP::Float"""
4692 return _IMP_core.ClosedCubicSpline_get_spacing(self)
4694 def get_values(self):
4695 r"""get_values(ClosedCubicSpline self) -> IMP::Floats"""
4696 return _IMP_core.ClosedCubicSpline_get_values(self)
4698 def get_second_derivatives(self):
4699 r"""get_second_derivatives(ClosedCubicSpline self) -> IMP::Floats"""
4700 return _IMP_core.ClosedCubicSpline_get_second_derivatives(self)
4703 r"""__str__(ClosedCubicSpline self) -> std::string"""
4704 return _IMP_core.ClosedCubicSpline___str__(self)
4707 r"""__repr__(ClosedCubicSpline self) -> std::string"""
4708 return _IMP_core.ClosedCubicSpline___repr__(self)
4712 return _object_cast_to_ClosedCubicSpline(o)
4716 import jax.numpy
as jnp
4717 from IMP.core._jax_util
import _spline
4718 def score(feature, minrange, spacing, values, second_derivs):
4720 lowbin = jnp.array((feature - minrange) / spacing, dtype=int)
4722 highbin = jnp.remainder(lowbin + 1, len(values))
4723 return _spline(feature, minrange, lowbin, highbin, spacing,
4724 values, second_derivs)
4725 return functools.partial(
4726 score, minrange=self.get_minrange(),
4727 spacing=self.get_spacing(), values=jnp.asarray(self.get_values()),
4728 second_derivs=jnp.asarray(self.get_second_derivatives()))
4732 _IMP_core.ClosedCubicSpline_swigregister(ClosedCubicSpline)
4734 r"""Proxy of C++ IMP::core::KClosePairsPairScore class."""
4736 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4738 def __init__(self, f, r, k=1):
4739 r"""__init__(KClosePairsPairScore self, PairScore f, Refiner r, int k=1) -> KClosePairsPairScore"""
4740 _IMP_core.KClosePairsPairScore_swiginit(self, _IMP_core.new_KClosePairsPairScore(f, r, k))
4742 def get_close_pairs(self, pp):
4743 r"""get_close_pairs(KClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
4744 return _IMP_core.KClosePairsPairScore_get_close_pairs(self, pp)
4746 def create_current_decomposition(self, m, vt):
4747 r"""create_current_decomposition(KClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
4748 return _IMP_core.KClosePairsPairScore_create_current_decomposition(self, m, vt)
4750 def do_get_inputs(self, m, pis):
4751 r"""do_get_inputs(KClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4752 return _IMP_core.KClosePairsPairScore_do_get_inputs(self, m, pis)
4754 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4755 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"""
4756 return _IMP_core.KClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4758 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4759 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"""
4760 return _IMP_core.KClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4762 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4763 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"""
4764 return _IMP_core.KClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4766 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4767 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"""
4768 return _IMP_core.KClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4770 def get_version_info(self):
4771 r"""get_version_info(KClosePairsPairScore self) -> VersionInfo"""
4772 return _IMP_core.KClosePairsPairScore_get_version_info(self)
4773 __swig_destroy__ = _IMP_core.delete_KClosePairsPairScore
4776 r"""__str__(KClosePairsPairScore self) -> std::string"""
4777 return _IMP_core.KClosePairsPairScore___str__(self)
4780 r"""__repr__(KClosePairsPairScore self) -> std::string"""
4781 return _IMP_core.KClosePairsPairScore___repr__(self)
4785 return _object_cast_to_KClosePairsPairScore(o)
4789 _IMP_core.KClosePairsPairScore_swigregister(KClosePairsPairScore)
4791 r"""Proxy of C++ IMP::core::ClosePairsPairScore class."""
4793 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4795 def __init__(self, f, r, max_distance):
4796 r"""__init__(ClosePairsPairScore self, PairScore f, Refiner r, IMP::Float max_distance) -> ClosePairsPairScore"""
4797 _IMP_core.ClosePairsPairScore_swiginit(self, _IMP_core.new_ClosePairsPairScore(f, r, max_distance))
4799 def get_close_pairs(self, pp):
4800 r"""get_close_pairs(ClosePairsPairScore self, IMP::ParticlePair const & pp) -> IMP::ParticlePairsTemp"""
4801 return _IMP_core.ClosePairsPairScore_get_close_pairs(self, pp)
4803 def create_current_decomposition(self, m, vt):
4804 r"""create_current_decomposition(ClosePairsPairScore self, Model m, IMP::ParticleIndexPair const & vt) -> IMP::Restraints"""
4805 return _IMP_core.ClosePairsPairScore_create_current_decomposition(self, m, vt)
4807 def do_get_inputs(self, m, pis):
4808 r"""do_get_inputs(ClosePairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4809 return _IMP_core.ClosePairsPairScore_do_get_inputs(self, m, pis)
4811 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4812 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"""
4813 return _IMP_core.ClosePairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4815 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4816 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"""
4817 return _IMP_core.ClosePairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4819 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4820 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"""
4821 return _IMP_core.ClosePairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4823 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4824 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"""
4825 return _IMP_core.ClosePairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4827 def get_version_info(self):
4828 r"""get_version_info(ClosePairsPairScore self) -> VersionInfo"""
4829 return _IMP_core.ClosePairsPairScore_get_version_info(self)
4830 __swig_destroy__ = _IMP_core.delete_ClosePairsPairScore
4833 r"""__str__(ClosePairsPairScore self) -> std::string"""
4834 return _IMP_core.ClosePairsPairScore___str__(self)
4837 r"""__repr__(ClosePairsPairScore self) -> std::string"""
4838 return _IMP_core.ClosePairsPairScore___repr__(self)
4842 return _object_cast_to_ClosePairsPairScore(o)
4846 _IMP_core.ClosePairsPairScore_swigregister(ClosePairsPairScore)
4848 r"""Proxy of C++ IMP::core::ConjugateGradients class."""
4850 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4852 def __init__(self, *args):
4854 __init__(ConjugateGradients self, Model m, std::string name="ConjugateGradients%1%") -> ConjugateGradients
4855 __init__(ConjugateGradients self) -> ConjugateGradients
4857 _IMP_core.ConjugateGradients_swiginit(self, _IMP_core.new_ConjugateGradients(*args))
4859 def set_gradient_threshold(self, t):
4860 r"""set_gradient_threshold(ConjugateGradients self, IMP::Float t)"""
4861 return _IMP_core.ConjugateGradients_set_gradient_threshold(self, t)
4863 def set_max_change(self, t):
4864 r"""set_max_change(ConjugateGradients self, IMP::Float t)"""
4865 return _IMP_core.ConjugateGradients_set_max_change(self, t)
4867 def do_optimize(self, max_steps):
4868 r"""do_optimize(ConjugateGradients self, unsigned int max_steps) -> IMP::Float"""
4869 return _IMP_core.ConjugateGradients_do_optimize(self, max_steps)
4871 def get_version_info(self):
4872 r"""get_version_info(ConjugateGradients self) -> VersionInfo"""
4873 return _IMP_core.ConjugateGradients_get_version_info(self)
4874 __swig_destroy__ = _IMP_core.delete_ConjugateGradients
4877 r"""__str__(ConjugateGradients self) -> std::string"""
4878 return _IMP_core.ConjugateGradients___str__(self)
4881 r"""__repr__(ConjugateGradients self) -> std::string"""
4882 return _IMP_core.ConjugateGradients___repr__(self)
4886 return _object_cast_to_ConjugateGradients(o)
4889 def _get_as_binary(self):
4890 r"""_get_as_binary(ConjugateGradients self) -> PyObject *"""
4891 return _IMP_core.ConjugateGradients__get_as_binary(self)
4893 def _set_from_binary(self, p):
4894 r"""_set_from_binary(ConjugateGradients self, PyObject * p)"""
4895 return _IMP_core.ConjugateGradients__set_from_binary(self, p)
4897 def __getstate__(self):
4898 p = self._get_as_binary()
4899 if len(self.__dict__) > 1:
4900 d = self.__dict__.copy()
4905 def __setstate__(self, p):
4906 if not hasattr(self,
'this'):
4908 if isinstance(p, tuple):
4910 self.__dict__.update(d)
4911 return self._set_from_binary(p)
4915 _IMP_core.ConjugateGradients_swigregister(ConjugateGradients)
4917 r"""Proxy of C++ IMP::core::ConnectivityRestraint class."""
4919 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4921 def __init__(self, ps, sc):
4922 r"""__init__(ConnectivityRestraint self, PairScore ps, _SingletonContainerAdaptor sc) -> ConnectivityRestraint"""
4923 _IMP_core.ConnectivityRestraint_swiginit(self, _IMP_core.new_ConnectivityRestraint(ps, sc))
4925 def get_connected_index_pairs(self):
4926 r"""get_connected_index_pairs(ConnectivityRestraint self) -> IMP::ParticleIndexPairs"""
4927 return _IMP_core.ConnectivityRestraint_get_connected_index_pairs(self)
4929 def get_pair_score(self):
4930 r"""get_pair_score(ConnectivityRestraint self) -> PairScore"""
4931 return _IMP_core.ConnectivityRestraint_get_pair_score(self)
4933 def do_create_current_decomposition(self):
4934 r"""do_create_current_decomposition(ConnectivityRestraint self) -> IMP::Restraints"""
4935 return _IMP_core.ConnectivityRestraint_do_create_current_decomposition(self)
4937 def do_get_inputs(self):
4938 r"""do_get_inputs(ConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
4939 return _IMP_core.ConnectivityRestraint_do_get_inputs(self)
4941 def get_version_info(self):
4942 r"""get_version_info(ConnectivityRestraint self) -> VersionInfo"""
4943 return _IMP_core.ConnectivityRestraint_get_version_info(self)
4944 __swig_destroy__ = _IMP_core.delete_ConnectivityRestraint
4947 r"""__str__(ConnectivityRestraint self) -> std::string"""
4948 return _IMP_core.ConnectivityRestraint___str__(self)
4951 r"""__repr__(ConnectivityRestraint self) -> std::string"""
4952 return _IMP_core.ConnectivityRestraint___repr__(self)
4956 return _object_cast_to_ConnectivityRestraint(o)
4960 _IMP_core.ConnectivityRestraint_swigregister(ConnectivityRestraint)
4962 r"""Proxy of C++ IMP::core::ConstantRestraint class."""
4964 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4966 def __init__(self, *args):
4968 __init__(ConstantRestraint self, Model m, IMP::Float v) -> ConstantRestraint
4969 __init__(ConstantRestraint self) -> ConstantRestraint
4971 _IMP_core.ConstantRestraint_swiginit(self, _IMP_core.new_ConstantRestraint(*args))
4973 def do_get_inputs(self):
4974 r"""do_get_inputs(ConstantRestraint self) -> IMP::ModelObjectsTemp"""
4975 return _IMP_core.ConstantRestraint_do_get_inputs(self)
4977 def get_version_info(self):
4978 r"""get_version_info(ConstantRestraint self) -> VersionInfo"""
4979 return _IMP_core.ConstantRestraint_get_version_info(self)
4980 __swig_destroy__ = _IMP_core.delete_ConstantRestraint
4983 r"""__str__(ConstantRestraint self) -> std::string"""
4984 return _IMP_core.ConstantRestraint___str__(self)
4987 r"""__repr__(ConstantRestraint self) -> std::string"""
4988 return _IMP_core.ConstantRestraint___repr__(self)
4992 return _object_cast_to_ConstantRestraint(o)
4995 def _get_as_binary(self):
4996 r"""_get_as_binary(ConstantRestraint self) -> PyObject *"""
4997 return _IMP_core.ConstantRestraint__get_as_binary(self)
4999 def _set_from_binary(self, p):
5000 r"""_set_from_binary(ConstantRestraint self, PyObject * p)"""
5001 return _IMP_core.ConstantRestraint__set_from_binary(self, p)
5003 def __getstate__(self):
5004 p = self._get_as_binary()
5005 if len(self.__dict__) > 1:
5006 d = self.__dict__.copy()
5011 def __setstate__(self, p):
5012 if not hasattr(self,
'this'):
5014 if isinstance(p, tuple):
5016 self.__dict__.update(d)
5017 return self._set_from_binary(p)
5021 _IMP_core.ConstantRestraint_swigregister(ConstantRestraint)
5023 r"""Proxy of C++ IMP::core::Cosine class."""
5025 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5027 def __init__(self, *args):
5029 __init__(Cosine self, IMP::Float force_constant, int periodicity, IMP::Float phase) -> Cosine
5030 __init__(Cosine self) -> Cosine
5032 _IMP_core.Cosine_swiginit(self, _IMP_core.new_Cosine(*args))
5034 def get_force_constant(self):
5035 r"""get_force_constant(Cosine self) -> IMP::Float"""
5036 return _IMP_core.Cosine_get_force_constant(self)
5038 def get_periodicity(self):
5039 r"""get_periodicity(Cosine self) -> int"""
5040 return _IMP_core.Cosine_get_periodicity(self)
5042 def get_phase(self):
5043 r"""get_phase(Cosine self) -> IMP::Float"""
5044 return _IMP_core.Cosine_get_phase(self)
5046 def get_version_info(self):
5047 r"""get_version_info(Cosine self) -> VersionInfo"""
5048 return _IMP_core.Cosine_get_version_info(self)
5049 __swig_destroy__ = _IMP_core.delete_Cosine
5051 def do_show(self, out):
5052 r"""do_show(Cosine self, _ostream out)"""
5053 return _IMP_core.Cosine_do_show(self, out)
5056 r"""__str__(Cosine self) -> std::string"""
5057 return _IMP_core.Cosine___str__(self)
5060 r"""__repr__(Cosine self) -> std::string"""
5061 return _IMP_core.Cosine___repr__(self)
5065 return _object_cast_to_Cosine(o)
5068 def _get_as_binary(self):
5069 r"""_get_as_binary(Cosine self) -> PyObject *"""
5070 return _IMP_core.Cosine__get_as_binary(self)
5072 def _set_from_binary(self, p):
5073 r"""_set_from_binary(Cosine self, PyObject * p)"""
5074 return _IMP_core.Cosine__set_from_binary(self, p)
5076 def __getstate__(self):
5077 p = self._get_as_binary()
5078 if len(self.__dict__) > 1:
5079 d = self.__dict__.copy()
5084 def __setstate__(self, p):
5085 if not hasattr(self,
'this'):
5087 if isinstance(p, tuple):
5089 self.__dict__.update(d)
5090 return self._set_from_binary(p)
5094 import jax.numpy
as jnp
5095 def score(val, k, period, phase):
5096 return jnp.abs(k) - k * jnp.cos(period * val + phase)
5097 return functools.partial(score, k=self.get_force_constant(),
5098 period=self.get_periodicity(),
5099 phase=self.get_phase())
5103 _IMP_core.Cosine_swigregister(Cosine)
5105 r"""Proxy of C++ IMP::core::CoverRefined class."""
5107 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5109 def __init__(self, ref, slack=0):
5110 r"""__init__(CoverRefined self, Refiner ref, IMP::Float slack=0) -> CoverRefined"""
5111 _IMP_core.CoverRefined_swiginit(self, _IMP_core.new_CoverRefined(ref, slack))
5113 def set_slack(self, slack):
5114 r"""set_slack(CoverRefined self, IMP::Float slack)"""
5115 return _IMP_core.CoverRefined_set_slack(self, slack)
5117 def do_get_inputs(self, m, pis):
5118 r"""do_get_inputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5119 return _IMP_core.CoverRefined_do_get_inputs(self, m, pis)
5121 def do_get_outputs(self, m, pis):
5122 r"""do_get_outputs(CoverRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5123 return _IMP_core.CoverRefined_do_get_outputs(self, m, pis)
5125 def get_version_info(self):
5126 r"""get_version_info(CoverRefined self) -> VersionInfo"""
5127 return _IMP_core.CoverRefined_get_version_info(self)
5128 __swig_destroy__ = _IMP_core.delete_CoverRefined
5131 r"""__str__(CoverRefined self) -> std::string"""
5132 return _IMP_core.CoverRefined___str__(self)
5135 r"""__repr__(CoverRefined self) -> std::string"""
5136 return _IMP_core.CoverRefined___repr__(self)
5140 return _object_cast_to_CoverRefined(o)
5144 _IMP_core.CoverRefined_swigregister(CoverRefined)
5146 r"""Proxy of C++ IMP::core::Cover class."""
5148 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5150 def get_constraint(self):
5151 r"""get_constraint(Cover self) -> Constraint"""
5152 return _IMP_core.Cover_get_constraint(self)
5154 def __init__(self, *args):
5156 __init__(Cover self) -> Cover
5157 __init__(Cover self, Model m, ParticleIndex id) -> Cover
5158 __init__(Cover self, _ParticleAdaptor d) -> Cover
5160 _IMP_core.Cover_swiginit(self, _IMP_core.new_Cover(*args))
5162 def show(self, *args):
5163 r"""show(Cover self, _ostream out=std::cout)"""
5164 return _IMP_core.Cover_show(self, *args)
5167 def setup_particle(*args):
5169 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> Cover
5170 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor members) -> Cover
5171 setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> Cover
5172 setup_particle(_ParticleAdaptor pa, Refiner refiner) -> Cover
5174 return _IMP_core.Cover_setup_particle(*args)
5177 def get_is_setup(*args):
5179 get_is_setup(_ParticleAdaptor p) -> bool
5180 get_is_setup(Model m, ParticleIndex pi) -> bool
5182 return _IMP_core.Cover_get_is_setup(*args)
5184 def add_attribute(self, *args):
5186 add_attribute(Cover self, FloatKey k, IMP::Float v, bool opt)
5187 add_attribute(Cover self, FloatKey a0, IMP::Float a1)
5188 add_attribute(Cover self, IntKey a0, IMP::Int a1)
5189 add_attribute(Cover self, FloatsKey a0, IMP::Floats a1)
5190 add_attribute(Cover self, IntsKey a0, IMP::Ints a1)
5191 add_attribute(Cover self, StringKey a0, IMP::String a1)
5192 add_attribute(Cover self, ParticleIndexKey a0, Particle a1)
5193 add_attribute(Cover self, ObjectKey a0, Object a1)
5194 add_attribute(Cover self, SparseFloatKey a0, IMP::Float a1)
5195 add_attribute(Cover self, SparseIntKey a0, IMP::Int a1)
5196 add_attribute(Cover self, SparseStringKey a0, IMP::String a1)
5197 add_attribute(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5199 return _IMP_core.Cover_add_attribute(self, *args)
5201 def get_value(self, *args):
5203 get_value(Cover self, FloatKey a0) -> IMP::Float
5204 get_value(Cover self, IntKey a0) -> IMP::Int
5205 get_value(Cover self, FloatsKey a0) -> IMP::Floats
5206 get_value(Cover self, IntsKey a0) -> IMP::Ints
5207 get_value(Cover self, StringKey a0) -> IMP::String
5208 get_value(Cover self, ParticleIndexKey a0) -> Particle
5209 get_value(Cover self, ObjectKey a0) -> Object
5210 get_value(Cover self, SparseFloatKey a0) -> IMP::Float
5211 get_value(Cover self, SparseIntKey a0) -> IMP::Int
5212 get_value(Cover self, SparseStringKey a0) -> IMP::String
5213 get_value(Cover self, SparseParticleIndexKey a0) -> ParticleIndex
5215 return _IMP_core.Cover_get_value(self, *args)
5217 def set_value(self, *args):
5219 set_value(Cover self, FloatKey a0, IMP::Float a1)
5220 set_value(Cover self, IntKey a0, IMP::Int a1)
5221 set_value(Cover self, FloatsKey a0, IMP::Floats a1)
5222 set_value(Cover self, IntsKey a0, IMP::Ints a1)
5223 set_value(Cover self, StringKey a0, IMP::String a1)
5224 set_value(Cover self, ParticleIndexKey a0, Particle a1)
5225 set_value(Cover self, ObjectKey a0, Object a1)
5226 set_value(Cover self, SparseFloatKey a0, IMP::Float a1)
5227 set_value(Cover self, SparseIntKey a0, IMP::Int a1)
5228 set_value(Cover self, SparseStringKey a0, IMP::String a1)
5229 set_value(Cover self, SparseParticleIndexKey a0, ParticleIndex a1)
5231 return _IMP_core.Cover_set_value(self, *args)
5233 def remove_attribute(self, *args):
5235 remove_attribute(Cover self, FloatKey a0)
5236 remove_attribute(Cover self, IntKey a0)
5237 remove_attribute(Cover self, FloatsKey a0)
5238 remove_attribute(Cover self, IntsKey a0)
5239 remove_attribute(Cover self, StringKey a0)
5240 remove_attribute(Cover self, ParticleIndexKey a0)
5241 remove_attribute(Cover self, ObjectKey a0)
5242 remove_attribute(Cover self, SparseFloatKey a0)
5243 remove_attribute(Cover self, SparseIntKey a0)
5244 remove_attribute(Cover self, SparseStringKey a0)
5245 remove_attribute(Cover self, SparseParticleIndexKey a0)
5247 return _IMP_core.Cover_remove_attribute(self, *args)
5249 def has_attribute(self, *args):
5251 has_attribute(Cover self, FloatKey a0) -> bool
5252 has_attribute(Cover self, IntKey a0) -> bool
5253 has_attribute(Cover self, FloatsKey a0) -> bool
5254 has_attribute(Cover self, IntsKey a0) -> bool
5255 has_attribute(Cover self, StringKey a0) -> bool
5256 has_attribute(Cover self, ParticleIndexKey a0) -> bool
5257 has_attribute(Cover self, ObjectKey a0) -> bool
5258 has_attribute(Cover self, SparseFloatKey a0) -> bool
5259 has_attribute(Cover self, SparseIntKey a0) -> bool
5260 has_attribute(Cover self, SparseStringKey a0) -> bool
5261 has_attribute(Cover self, SparseParticleIndexKey a0) -> bool
5263 return _IMP_core.Cover_has_attribute(self, *args)
5265 def get_derivative(self, a0):
5266 r"""get_derivative(Cover self, FloatKey a0) -> double"""
5267 return _IMP_core.Cover_get_derivative(self, a0)
5270 r"""get_name(Cover self) -> std::string"""
5271 return _IMP_core.Cover_get_name(self)
5273 def clear_caches(self):
5274 r"""clear_caches(Cover self)"""
5275 return _IMP_core.Cover_clear_caches(self)
5277 def set_name(self, a0):
5278 r"""set_name(Cover self, std::string a0)"""
5279 return _IMP_core.Cover_set_name(self, a0)
5282 r"""set_check_level(Cover self, IMP::CheckLevel a0)"""
5283 return _IMP_core.Cover_set_check_level(self, a0)
5285 def add_to_derivative(self, a0, a1, a2):
5286 r"""add_to_derivative(Cover self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5287 return _IMP_core.Cover_add_to_derivative(self, a0, a1, a2)
5289 def set_is_optimized(self, a0, a1):
5290 r"""set_is_optimized(Cover self, FloatKey a0, bool a1)"""
5291 return _IMP_core.Cover_set_is_optimized(self, a0, a1)
5293 def get_is_optimized(self, a0):
5294 r"""get_is_optimized(Cover self, FloatKey a0) -> bool"""
5295 return _IMP_core.Cover_get_is_optimized(self, a0)
5298 r"""get_check_level(Cover self) -> IMP::CheckLevel"""
5299 return _IMP_core.Cover_get_check_level(self)
5301 def __eq__(self, *args):
5303 __eq__(Cover self, Cover o) -> bool
5304 __eq__(Cover self, Particle d) -> bool
5306 return _IMP_core.Cover___eq__(self, *args)
5308 def __ne__(self, *args):
5310 __ne__(Cover self, Cover o) -> bool
5311 __ne__(Cover self, Particle d) -> bool
5313 return _IMP_core.Cover___ne__(self, *args)
5315 def __le__(self, *args):
5317 __le__(Cover self, Cover o) -> bool
5318 __le__(Cover self, Particle d) -> bool
5320 return _IMP_core.Cover___le__(self, *args)
5322 def __lt__(self, *args):
5324 __lt__(Cover self, Cover o) -> bool
5325 __lt__(Cover self, Particle d) -> bool
5327 return _IMP_core.Cover___lt__(self, *args)
5329 def __ge__(self, *args):
5331 __ge__(Cover self, Cover o) -> bool
5332 __ge__(Cover self, Particle d) -> bool
5334 return _IMP_core.Cover___ge__(self, *args)
5336 def __gt__(self, *args):
5338 __gt__(Cover self, Cover o) -> bool
5339 __gt__(Cover self, Particle d) -> bool
5341 return _IMP_core.Cover___gt__(self, *args)
5344 r"""__hash__(Cover self) -> std::size_t"""
5345 return _IMP_core.Cover___hash__(self)
5348 r"""__str__(Cover self) -> std::string"""
5349 return _IMP_core.Cover___str__(self)
5352 r"""__repr__(Cover self) -> std::string"""
5353 return _IMP_core.Cover___repr__(self)
5355 def _get_as_binary(self):
5356 r"""_get_as_binary(Cover self) -> PyObject *"""
5357 return _IMP_core.Cover__get_as_binary(self)
5359 def _set_from_binary(self, p):
5360 r"""_set_from_binary(Cover self, PyObject * p)"""
5361 return _IMP_core.Cover__set_from_binary(self, p)
5363 def __getstate__(self):
5364 p = self._get_as_binary()
5365 if len(self.__dict__) > 1:
5366 d = self.__dict__.copy()
5371 def __setstate__(self, p):
5372 if not hasattr(self,
'this'):
5374 if isinstance(p, tuple):
5376 self.__dict__.update(d)
5377 return self._set_from_binary(p)
5379 __swig_destroy__ = _IMP_core.delete_Cover
5382 _IMP_core.Cover_swigregister(Cover)
5384 r"""Proxy of C++ IMP::core::DerivativesFromRefined class."""
5386 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5388 def __init__(self, *args):
5389 r"""__init__(DerivativesFromRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesFromRefined"""
5390 _IMP_core.DerivativesFromRefined_swiginit(self, _IMP_core.new_DerivativesFromRefined(*args))
5392 def do_get_inputs(self, m, pis):
5393 r"""do_get_inputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5394 return _IMP_core.DerivativesFromRefined_do_get_inputs(self, m, pis)
5396 def do_get_outputs(self, m, pis):
5397 r"""do_get_outputs(DerivativesFromRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5398 return _IMP_core.DerivativesFromRefined_do_get_outputs(self, m, pis)
5400 def get_version_info(self):
5401 r"""get_version_info(DerivativesFromRefined self) -> VersionInfo"""
5402 return _IMP_core.DerivativesFromRefined_get_version_info(self)
5403 __swig_destroy__ = _IMP_core.delete_DerivativesFromRefined
5406 r"""__str__(DerivativesFromRefined self) -> std::string"""
5407 return _IMP_core.DerivativesFromRefined___str__(self)
5410 r"""__repr__(DerivativesFromRefined self) -> std::string"""
5411 return _IMP_core.DerivativesFromRefined___repr__(self)
5415 return _object_cast_to_DerivativesFromRefined(o)
5419 _IMP_core.DerivativesFromRefined_swigregister(DerivativesFromRefined)
5421 r"""Proxy of C++ IMP::core::DerivativesToRefined class."""
5423 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5425 def __init__(self, *args):
5426 r"""__init__(DerivativesToRefined self, Refiner r, IMP::FloatKeys ks=IMP::core::XYZ::get_xyz_keys()) -> DerivativesToRefined"""
5427 _IMP_core.DerivativesToRefined_swiginit(self, _IMP_core.new_DerivativesToRefined(*args))
5429 def do_get_inputs(self, m, pis):
5430 r"""do_get_inputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5431 return _IMP_core.DerivativesToRefined_do_get_inputs(self, m, pis)
5433 def do_get_outputs(self, m, pis):
5434 r"""do_get_outputs(DerivativesToRefined self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5435 return _IMP_core.DerivativesToRefined_do_get_outputs(self, m, pis)
5437 def get_version_info(self):
5438 r"""get_version_info(DerivativesToRefined self) -> VersionInfo"""
5439 return _IMP_core.DerivativesToRefined_get_version_info(self)
5440 __swig_destroy__ = _IMP_core.delete_DerivativesToRefined
5443 r"""__str__(DerivativesToRefined self) -> std::string"""
5444 return _IMP_core.DerivativesToRefined___str__(self)
5447 r"""__repr__(DerivativesToRefined self) -> std::string"""
5448 return _IMP_core.DerivativesToRefined___repr__(self)
5452 return _object_cast_to_DerivativesToRefined(o)
5456 _IMP_core.DerivativesToRefined_swigregister(DerivativesToRefined)
5458 r"""Proxy of C++ IMP::core::DiameterRestraint class."""
5460 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5462 def __init__(self, f, sc, diameter):
5463 r"""__init__(DiameterRestraint self, UnaryFunction f, SingletonContainer sc, IMP::Float diameter) -> DiameterRestraint"""
5464 _IMP_core.DiameterRestraint_swiginit(self, _IMP_core.new_DiameterRestraint(f, sc, diameter))
5466 def do_get_inputs(self):
5467 r"""do_get_inputs(DiameterRestraint self) -> IMP::ModelObjectsTemp"""
5468 return _IMP_core.DiameterRestraint_do_get_inputs(self)
5470 def get_version_info(self):
5471 r"""get_version_info(DiameterRestraint self) -> VersionInfo"""
5472 return _IMP_core.DiameterRestraint_get_version_info(self)
5473 __swig_destroy__ = _IMP_core.delete_DiameterRestraint
5475 def do_create_decomposition(self):
5476 r"""do_create_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5477 return _IMP_core.DiameterRestraint_do_create_decomposition(self)
5479 def do_create_current_decomposition(self):
5480 r"""do_create_current_decomposition(DiameterRestraint self) -> IMP::Restraints"""
5481 return _IMP_core.DiameterRestraint_do_create_current_decomposition(self)
5484 r"""__str__(DiameterRestraint self) -> std::string"""
5485 return _IMP_core.DiameterRestraint___str__(self)
5488 r"""__repr__(DiameterRestraint self) -> std::string"""
5489 return _IMP_core.DiameterRestraint___repr__(self)
5493 return _object_cast_to_DiameterRestraint(o)
5497 _IMP_core.DiameterRestraint_swigregister(DiameterRestraint)
5499 r"""Proxy of C++ IMP::core::Transform class."""
5501 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5503 def __init__(self, *args):
5505 __init__(Transform self, Transformation3D t, bool ignore_non_xyz=False) -> Transform
5506 __init__(Transform self) -> Transform
5508 _IMP_core.Transform_swiginit(self, _IMP_core.new_Transform(*args))
5510 def do_get_inputs(self, m, pis):
5511 r"""do_get_inputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5512 return _IMP_core.Transform_do_get_inputs(self, m, pis)
5514 def do_get_outputs(self, m, pis):
5515 r"""do_get_outputs(Transform self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5516 return _IMP_core.Transform_do_get_outputs(self, m, pis)
5518 def get_version_info(self):
5519 r"""get_version_info(Transform self) -> VersionInfo"""
5520 return _IMP_core.Transform_get_version_info(self)
5521 __swig_destroy__ = _IMP_core.delete_Transform
5524 r"""__str__(Transform self) -> std::string"""
5525 return _IMP_core.Transform___str__(self)
5528 r"""__repr__(Transform self) -> std::string"""
5529 return _IMP_core.Transform___repr__(self)
5533 return _object_cast_to_Transform(o)
5536 def _get_as_binary(self):
5537 r"""_get_as_binary(Transform self) -> PyObject *"""
5538 return _IMP_core.Transform__get_as_binary(self)
5540 def _set_from_binary(self, p):
5541 r"""_set_from_binary(Transform self, PyObject * p)"""
5542 return _IMP_core.Transform__set_from_binary(self, p)
5544 def __getstate__(self):
5545 p = self._get_as_binary()
5546 if len(self.__dict__) > 1:
5547 d = self.__dict__.copy()
5552 def __setstate__(self, p):
5553 if not hasattr(self,
'this'):
5555 if isinstance(p, tuple):
5557 self.__dict__.update(d)
5558 return self._set_from_binary(p)
5562 _IMP_core.Transform_swigregister(Transform)
5564 r"""Proxy of C++ IMP::core::Reference class."""
5566 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5568 def __init__(self, *args):
5570 __init__(Reference self) -> Reference
5571 __init__(Reference self, Model m, ParticleIndex id) -> Reference
5572 __init__(Reference self, _ParticleAdaptor d) -> Reference
5574 _IMP_core.Reference_swiginit(self, _IMP_core.new_Reference(*args))
5576 def show(self, *args):
5577 r"""show(Reference self, _ostream out=std::cout)"""
5578 return _IMP_core.Reference_show(self, *args)
5581 def setup_particle(*args):
5583 setup_particle(Model m, ParticleIndex pi, _ParticleIndexAdaptor reference) -> Reference
5584 setup_particle(_ParticleAdaptor pa, _ParticleIndexAdaptor reference) -> Reference
5586 return _IMP_core.Reference_setup_particle(*args)
5588 def get_reference_particle(self):
5589 r"""get_reference_particle(Reference self) -> Particle"""
5590 return _IMP_core.Reference_get_reference_particle(self)
5593 def get_is_setup(*args):
5595 get_is_setup(_ParticleAdaptor p) -> bool
5596 get_is_setup(Model m, ParticleIndex pi) -> bool
5598 return _IMP_core.Reference_get_is_setup(*args)
5601 def get_reference_key():
5602 r"""get_reference_key() -> ParticleIndexKey"""
5603 return _IMP_core.Reference_get_reference_key()
5605 def add_attribute(self, *args):
5607 add_attribute(Reference self, FloatKey k, IMP::Float v, bool opt)
5608 add_attribute(Reference self, FloatKey a0, IMP::Float a1)
5609 add_attribute(Reference self, IntKey a0, IMP::Int a1)
5610 add_attribute(Reference self, FloatsKey a0, IMP::Floats a1)
5611 add_attribute(Reference self, IntsKey a0, IMP::Ints a1)
5612 add_attribute(Reference self, StringKey a0, IMP::String a1)
5613 add_attribute(Reference self, ParticleIndexKey a0, Particle a1)
5614 add_attribute(Reference self, ObjectKey a0, Object a1)
5615 add_attribute(Reference self, SparseFloatKey a0, IMP::Float a1)
5616 add_attribute(Reference self, SparseIntKey a0, IMP::Int a1)
5617 add_attribute(Reference self, SparseStringKey a0, IMP::String a1)
5618 add_attribute(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5620 return _IMP_core.Reference_add_attribute(self, *args)
5622 def get_value(self, *args):
5624 get_value(Reference self, FloatKey a0) -> IMP::Float
5625 get_value(Reference self, IntKey a0) -> IMP::Int
5626 get_value(Reference self, FloatsKey a0) -> IMP::Floats
5627 get_value(Reference self, IntsKey a0) -> IMP::Ints
5628 get_value(Reference self, StringKey a0) -> IMP::String
5629 get_value(Reference self, ParticleIndexKey a0) -> Particle
5630 get_value(Reference self, ObjectKey a0) -> Object
5631 get_value(Reference self, SparseFloatKey a0) -> IMP::Float
5632 get_value(Reference self, SparseIntKey a0) -> IMP::Int
5633 get_value(Reference self, SparseStringKey a0) -> IMP::String
5634 get_value(Reference self, SparseParticleIndexKey a0) -> ParticleIndex
5636 return _IMP_core.Reference_get_value(self, *args)
5638 def set_value(self, *args):
5640 set_value(Reference self, FloatKey a0, IMP::Float a1)
5641 set_value(Reference self, IntKey a0, IMP::Int a1)
5642 set_value(Reference self, FloatsKey a0, IMP::Floats a1)
5643 set_value(Reference self, IntsKey a0, IMP::Ints a1)
5644 set_value(Reference self, StringKey a0, IMP::String a1)
5645 set_value(Reference self, ParticleIndexKey a0, Particle a1)
5646 set_value(Reference self, ObjectKey a0, Object a1)
5647 set_value(Reference self, SparseFloatKey a0, IMP::Float a1)
5648 set_value(Reference self, SparseIntKey a0, IMP::Int a1)
5649 set_value(Reference self, SparseStringKey a0, IMP::String a1)
5650 set_value(Reference self, SparseParticleIndexKey a0, ParticleIndex a1)
5652 return _IMP_core.Reference_set_value(self, *args)
5654 def remove_attribute(self, *args):
5656 remove_attribute(Reference self, FloatKey a0)
5657 remove_attribute(Reference self, IntKey a0)
5658 remove_attribute(Reference self, FloatsKey a0)
5659 remove_attribute(Reference self, IntsKey a0)
5660 remove_attribute(Reference self, StringKey a0)
5661 remove_attribute(Reference self, ParticleIndexKey a0)
5662 remove_attribute(Reference self, ObjectKey a0)
5663 remove_attribute(Reference self, SparseFloatKey a0)
5664 remove_attribute(Reference self, SparseIntKey a0)
5665 remove_attribute(Reference self, SparseStringKey a0)
5666 remove_attribute(Reference self, SparseParticleIndexKey a0)
5668 return _IMP_core.Reference_remove_attribute(self, *args)
5670 def has_attribute(self, *args):
5672 has_attribute(Reference self, FloatKey a0) -> bool
5673 has_attribute(Reference self, IntKey a0) -> bool
5674 has_attribute(Reference self, FloatsKey a0) -> bool
5675 has_attribute(Reference self, IntsKey a0) -> bool
5676 has_attribute(Reference self, StringKey a0) -> bool
5677 has_attribute(Reference self, ParticleIndexKey a0) -> bool
5678 has_attribute(Reference self, ObjectKey a0) -> bool
5679 has_attribute(Reference self, SparseFloatKey a0) -> bool
5680 has_attribute(Reference self, SparseIntKey a0) -> bool
5681 has_attribute(Reference self, SparseStringKey a0) -> bool
5682 has_attribute(Reference self, SparseParticleIndexKey a0) -> bool
5684 return _IMP_core.Reference_has_attribute(self, *args)
5686 def get_derivative(self, a0):
5687 r"""get_derivative(Reference self, FloatKey a0) -> double"""
5688 return _IMP_core.Reference_get_derivative(self, a0)
5691 r"""get_name(Reference self) -> std::string"""
5692 return _IMP_core.Reference_get_name(self)
5694 def clear_caches(self):
5695 r"""clear_caches(Reference self)"""
5696 return _IMP_core.Reference_clear_caches(self)
5698 def set_name(self, a0):
5699 r"""set_name(Reference self, std::string a0)"""
5700 return _IMP_core.Reference_set_name(self, a0)
5703 r"""set_check_level(Reference self, IMP::CheckLevel a0)"""
5704 return _IMP_core.Reference_set_check_level(self, a0)
5706 def add_to_derivative(self, a0, a1, a2):
5707 r"""add_to_derivative(Reference self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5708 return _IMP_core.Reference_add_to_derivative(self, a0, a1, a2)
5710 def set_is_optimized(self, a0, a1):
5711 r"""set_is_optimized(Reference self, FloatKey a0, bool a1)"""
5712 return _IMP_core.Reference_set_is_optimized(self, a0, a1)
5714 def get_is_optimized(self, a0):
5715 r"""get_is_optimized(Reference self, FloatKey a0) -> bool"""
5716 return _IMP_core.Reference_get_is_optimized(self, a0)
5719 r"""get_check_level(Reference self) -> IMP::CheckLevel"""
5720 return _IMP_core.Reference_get_check_level(self)
5722 def __eq__(self, *args):
5724 __eq__(Reference self, Reference o) -> bool
5725 __eq__(Reference self, Particle d) -> bool
5727 return _IMP_core.Reference___eq__(self, *args)
5729 def __ne__(self, *args):
5731 __ne__(Reference self, Reference o) -> bool
5732 __ne__(Reference self, Particle d) -> bool
5734 return _IMP_core.Reference___ne__(self, *args)
5736 def __le__(self, *args):
5738 __le__(Reference self, Reference o) -> bool
5739 __le__(Reference self, Particle d) -> bool
5741 return _IMP_core.Reference___le__(self, *args)
5743 def __lt__(self, *args):
5745 __lt__(Reference self, Reference o) -> bool
5746 __lt__(Reference self, Particle d) -> bool
5748 return _IMP_core.Reference___lt__(self, *args)
5750 def __ge__(self, *args):
5752 __ge__(Reference self, Reference o) -> bool
5753 __ge__(Reference self, Particle d) -> bool
5755 return _IMP_core.Reference___ge__(self, *args)
5757 def __gt__(self, *args):
5759 __gt__(Reference self, Reference o) -> bool
5760 __gt__(Reference self, Particle d) -> bool
5762 return _IMP_core.Reference___gt__(self, *args)
5765 r"""__hash__(Reference self) -> std::size_t"""
5766 return _IMP_core.Reference___hash__(self)
5769 r"""__str__(Reference self) -> std::string"""
5770 return _IMP_core.Reference___str__(self)
5773 r"""__repr__(Reference self) -> std::string"""
5774 return _IMP_core.Reference___repr__(self)
5776 def _get_as_binary(self):
5777 r"""_get_as_binary(Reference self) -> PyObject *"""
5778 return _IMP_core.Reference__get_as_binary(self)
5780 def _set_from_binary(self, p):
5781 r"""_set_from_binary(Reference self, PyObject * p)"""
5782 return _IMP_core.Reference__set_from_binary(self, p)
5784 def __getstate__(self):
5785 p = self._get_as_binary()
5786 if len(self.__dict__) > 1:
5787 d = self.__dict__.copy()
5792 def __setstate__(self, p):
5793 if not hasattr(self,
'this'):
5795 if isinstance(p, tuple):
5797 self.__dict__.update(d)
5798 return self._set_from_binary(p)
5800 __swig_destroy__ = _IMP_core.delete_Reference
5803 _IMP_core.Reference_swigregister(Reference)
5805 r"""Proxy of C++ IMP::core::TransformationAndReflectionSymmetry class."""
5807 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5809 def __init__(self, t, r):
5810 r"""__init__(TransformationAndReflectionSymmetry self, Transformation3D t, Reflection3D r) -> TransformationAndReflectionSymmetry"""
5811 _IMP_core.TransformationAndReflectionSymmetry_swiginit(self, _IMP_core.new_TransformationAndReflectionSymmetry(t, r))
5813 def do_get_inputs(self, m, pis):
5814 r"""do_get_inputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5815 return _IMP_core.TransformationAndReflectionSymmetry_do_get_inputs(self, m, pis)
5817 def do_get_outputs(self, m, pis):
5818 r"""do_get_outputs(TransformationAndReflectionSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5819 return _IMP_core.TransformationAndReflectionSymmetry_do_get_outputs(self, m, pis)
5821 def get_version_info(self):
5822 r"""get_version_info(TransformationAndReflectionSymmetry self) -> VersionInfo"""
5823 return _IMP_core.TransformationAndReflectionSymmetry_get_version_info(self)
5824 __swig_destroy__ = _IMP_core.delete_TransformationAndReflectionSymmetry
5827 r"""__str__(TransformationAndReflectionSymmetry self) -> std::string"""
5828 return _IMP_core.TransformationAndReflectionSymmetry___str__(self)
5831 r"""__repr__(TransformationAndReflectionSymmetry self) -> std::string"""
5832 return _IMP_core.TransformationAndReflectionSymmetry___repr__(self)
5836 return _object_cast_to_TransformationAndReflectionSymmetry(o)
5840 _IMP_core.TransformationAndReflectionSymmetry_swigregister(TransformationAndReflectionSymmetry)
5842 r"""Proxy of C++ IMP::core::TransformationSymmetry class."""
5844 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5846 def __init__(self, *args):
5848 __init__(TransformationSymmetry self, Transformation3D t) -> TransformationSymmetry
5849 __init__(TransformationSymmetry self, ParticleIndex rb_pi) -> TransformationSymmetry
5851 _IMP_core.TransformationSymmetry_swiginit(self, _IMP_core.new_TransformationSymmetry(*args))
5853 def get_transformation(self):
5854 r"""get_transformation(TransformationSymmetry self) -> Transformation3D"""
5855 return _IMP_core.TransformationSymmetry_get_transformation(self)
5857 def set_transformation(self, t):
5858 r"""set_transformation(TransformationSymmetry self, Transformation3D t)"""
5859 return _IMP_core.TransformationSymmetry_set_transformation(self, t)
5861 def do_get_inputs(self, m, pis):
5862 r"""do_get_inputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5863 return _IMP_core.TransformationSymmetry_do_get_inputs(self, m, pis)
5865 def do_get_outputs(self, m, pis):
5866 r"""do_get_outputs(TransformationSymmetry self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5867 return _IMP_core.TransformationSymmetry_do_get_outputs(self, m, pis)
5869 def get_version_info(self):
5870 r"""get_version_info(TransformationSymmetry self) -> VersionInfo"""
5871 return _IMP_core.TransformationSymmetry_get_version_info(self)
5872 __swig_destroy__ = _IMP_core.delete_TransformationSymmetry
5875 r"""__str__(TransformationSymmetry self) -> std::string"""
5876 return _IMP_core.TransformationSymmetry___str__(self)
5879 r"""__repr__(TransformationSymmetry self) -> std::string"""
5880 return _IMP_core.TransformationSymmetry___repr__(self)
5884 return _object_cast_to_TransformationSymmetry(o)
5888 _IMP_core.TransformationSymmetry_swigregister(TransformationSymmetry)
5889 class TransformationSymmetryMover(MonteCarloMover):
5890 r"""Proxy of C++ IMP::core::TransformationSymmetryMover class."""
5892 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5894 def __init__(self, m, symm, pivot, max_translation, max_rotation):
5895 r"""__init__(TransformationSymmetryMover self, Model m, TransformationSymmetry symm, ParticleIndex pivot, IMP::Float max_translation, IMP::Float max_rotation) -> TransformationSymmetryMover"""
5896 _IMP_core.TransformationSymmetryMover_swiginit(self, _IMP_core.new_TransformationSymmetryMover(m, symm, pivot, max_translation, max_rotation))
5898 def set_maximum_translation(self, mt):
5899 r"""set_maximum_translation(TransformationSymmetryMover self, IMP::Float mt)"""
5900 return _IMP_core.TransformationSymmetryMover_set_maximum_translation(self, mt)
5902 def set_maximum_rotation(self, mr):
5903 r"""set_maximum_rotation(TransformationSymmetryMover self, IMP::Float mr)"""
5904 return _IMP_core.TransformationSymmetryMover_set_maximum_rotation(self, mr)
5906 def get_maximum_translation(self):
5907 r"""get_maximum_translation(TransformationSymmetryMover self) -> IMP::Float"""
5908 return _IMP_core.TransformationSymmetryMover_get_maximum_translation(self)
5910 def get_maximum_rotation(self):
5911 r"""get_maximum_rotation(TransformationSymmetryMover self) -> IMP::Float"""
5912 return _IMP_core.TransformationSymmetryMover_get_maximum_rotation(self)
5914 def get_version_info(self):
5915 r"""get_version_info(TransformationSymmetryMover self) -> VersionInfo"""
5916 return _IMP_core.TransformationSymmetryMover_get_version_info(self)
5917 __swig_destroy__ = _IMP_core.delete_TransformationSymmetryMover
5920 r"""__str__(TransformationSymmetryMover self) -> std::string"""
5921 return _IMP_core.TransformationSymmetryMover___str__(self)
5924 r"""__repr__(TransformationSymmetryMover self) -> std::string"""
5925 return _IMP_core.TransformationSymmetryMover___repr__(self)
5929 return _object_cast_to_TransformationSymmetryMover(o)
5933 _IMP_core.TransformationSymmetryMover_swigregister(TransformationSymmetryMover)
5935 r"""Proxy of C++ IMP::core::DihedralRestraint class."""
5937 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5939 def __init__(self, m, score_func, p1, p2, p3, p4):
5940 r"""__init__(DihedralRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3, _ParticleIndexAdaptor p4) -> DihedralRestraint"""
5941 _IMP_core.DihedralRestraint_swiginit(self, _IMP_core.new_DihedralRestraint(m, score_func, p1, p2, p3, p4))
5943 def do_get_inputs(self):
5944 r"""do_get_inputs(DihedralRestraint self) -> IMP::ModelObjectsTemp"""
5945 return _IMP_core.DihedralRestraint_do_get_inputs(self)
5947 def get_version_info(self):
5948 r"""get_version_info(DihedralRestraint self) -> VersionInfo"""
5949 return _IMP_core.DihedralRestraint_get_version_info(self)
5950 __swig_destroy__ = _IMP_core.delete_DihedralRestraint
5953 r"""__str__(DihedralRestraint self) -> std::string"""
5954 return _IMP_core.DihedralRestraint___str__(self)
5957 r"""__repr__(DihedralRestraint self) -> std::string"""
5958 return _IMP_core.DihedralRestraint___repr__(self)
5962 return _object_cast_to_DihedralRestraint(o)
5966 _IMP_core.DihedralRestraint_swigregister(DihedralRestraint)
5968 r"""Proxy of C++ IMP::core::DistancePairScore class."""
5970 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5972 def __init__(self, *args):
5974 __init__(DistancePairScore self, UnaryFunction uf, std::string name="DistancePairScore%1%") -> DistancePairScore
5975 __init__(DistancePairScore self) -> DistancePairScore
5977 _IMP_core.DistancePairScore_swiginit(self, _IMP_core.new_DistancePairScore(*args))
5979 def do_get_inputs(self, m, pis):
5980 r"""do_get_inputs(DistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5981 return _IMP_core.DistancePairScore_do_get_inputs(self, m, pis)
5983 def get_score_functor(self, *args):
5985 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
5986 get_score_functor(DistancePairScore self) -> UnaryFunctionEvaluate
5988 return _IMP_core.DistancePairScore_get_score_functor(self, *args)
5990 def get_version_info(self):
5991 r"""get_version_info(DistancePairScore self) -> VersionInfo"""
5992 return _IMP_core.DistancePairScore_get_version_info(self)
5993 __swig_destroy__ = _IMP_core.delete_DistancePairScore
5996 r"""__str__(DistancePairScore self) -> std::string"""
5997 return _IMP_core.DistancePairScore___str__(self)
6000 r"""__repr__(DistancePairScore self) -> std::string"""
6001 return _IMP_core.DistancePairScore___repr__(self)
6005 return _object_cast_to_DistancePairScore(o)
6008 def _get_as_binary(self):
6009 r"""_get_as_binary(DistancePairScore self) -> PyObject *"""
6010 return _IMP_core.DistancePairScore__get_as_binary(self)
6012 def _set_from_binary(self, p):
6013 r"""_set_from_binary(DistancePairScore self, PyObject * p)"""
6014 return _IMP_core.DistancePairScore__set_from_binary(self, p)
6016 def __getstate__(self):
6017 p = self._get_as_binary()
6018 if len(self.__dict__) > 1:
6019 d = self.__dict__.copy()
6024 def __setstate__(self, p):
6025 if not hasattr(self,
'this'):
6027 if isinstance(p, tuple):
6029 self.__dict__.update(d)
6030 return self._set_from_binary(p)
6033 def _get_jax(self, m, indexes):
6034 import jax.numpy
as jnp
6035 def jax_score(jm, uf):
6036 xyzs = jm[
'xyz'][indexes]
6037 diff = xyzs[:,0] - xyzs[:,1]
6038 drs = jnp.linalg.norm(diff, axis=1)
6040 sfnc = self.get_score_functor()
6041 uf = sfnc.get_unary_function().get_derived_object()
6042 f = functools.partial(jax_score, uf=uf._get_jax())
6043 return self._wrap_jax(m, f)
6047 _IMP_core.DistancePairScore_swigregister(DistancePairScore)
6049 r"""Proxy of C++ IMP::core::HarmonicDistancePairScore class."""
6051 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6053 def __init__(self, *args):
6055 __init__(HarmonicDistancePairScore self, double x0, double k, std::string name="HarmonicDistancePairScore%1%") -> HarmonicDistancePairScore
6056 __init__(HarmonicDistancePairScore self) -> HarmonicDistancePairScore
6058 _IMP_core.HarmonicDistancePairScore_swiginit(self, _IMP_core.new_HarmonicDistancePairScore(*args))
6060 def do_get_inputs(self, m, pis):
6061 r"""do_get_inputs(HarmonicDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6062 return _IMP_core.HarmonicDistancePairScore_do_get_inputs(self, m, pis)
6064 def get_score_functor(self, *args):
6066 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore
6067 get_score_functor(HarmonicDistancePairScore self) -> IMP::core::HarmonicDistanceScore const &
6069 return _IMP_core.HarmonicDistancePairScore_get_score_functor(self, *args)
6072 r"""get_x0(HarmonicDistancePairScore self) -> double"""
6073 return _IMP_core.HarmonicDistancePairScore_get_x0(self)
6076 r"""get_k(HarmonicDistancePairScore self) -> double"""
6077 return _IMP_core.HarmonicDistancePairScore_get_k(self)
6079 def get_version_info(self):
6080 r"""get_version_info(HarmonicDistancePairScore self) -> VersionInfo"""
6081 return _IMP_core.HarmonicDistancePairScore_get_version_info(self)
6082 __swig_destroy__ = _IMP_core.delete_HarmonicDistancePairScore
6085 r"""__str__(HarmonicDistancePairScore self) -> std::string"""
6086 return _IMP_core.HarmonicDistancePairScore___str__(self)
6089 r"""__repr__(HarmonicDistancePairScore self) -> std::string"""
6090 return _IMP_core.HarmonicDistancePairScore___repr__(self)
6094 return _object_cast_to_HarmonicDistancePairScore(o)
6097 def _get_as_binary(self):
6098 r"""_get_as_binary(HarmonicDistancePairScore self) -> PyObject *"""
6099 return _IMP_core.HarmonicDistancePairScore__get_as_binary(self)
6101 def _set_from_binary(self, p):
6102 r"""_set_from_binary(HarmonicDistancePairScore self, PyObject * p)"""
6103 return _IMP_core.HarmonicDistancePairScore__set_from_binary(self, p)
6105 def __getstate__(self):
6106 p = self._get_as_binary()
6107 if len(self.__dict__) > 1:
6108 d = self.__dict__.copy()
6113 def __setstate__(self, p):
6114 if not hasattr(self,
'this'):
6116 if isinstance(p, tuple):
6118 self.__dict__.update(d)
6119 return self._set_from_binary(p)
6122 def _get_jax(self, m, indexes):
6123 import jax.numpy
as jnp
6124 def jax_harmonic_distance_pair_score(jm, d, k):
6125 xyzs = jm[
'xyz'][indexes]
6126 diff = xyzs[:,0] - xyzs[:,1]
6127 drs = jnp.linalg.norm(diff, axis=1)
6128 return 0.5 * k * (d - drs)**2
6129 f = functools.partial(jax_harmonic_distance_pair_score,
6130 d=self.get_x0(), k=self.get_k())
6131 return self._wrap_jax(m, f)
6135 _IMP_core.HarmonicDistancePairScore_swigregister(HarmonicDistancePairScore)
6137 r"""Proxy of C++ IMP::core::DistanceRestraint class."""
6139 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6141 def __init__(self, *args):
6143 __init__(DistanceRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor a, _ParticleIndexAdaptor b, std::string name="DistanceRestraint %1%") -> DistanceRestraint
6144 __init__(DistanceRestraint self) -> DistanceRestraint
6146 _IMP_core.DistanceRestraint_swiginit(self, _IMP_core.new_DistanceRestraint(*args))
6148 def get_score_object(self):
6149 r"""get_score_object(DistanceRestraint self) -> DistancePairScore"""
6150 return _IMP_core.DistanceRestraint_get_score_object(self)
6153 r"""get_index(DistanceRestraint self) -> IMP::core::DistancePairScore::IndexArgument"""
6154 return _IMP_core.DistanceRestraint_get_index(self)
6156 def get_version_info(self):
6157 r"""get_version_info(DistanceRestraint self) -> VersionInfo"""
6158 return _IMP_core.DistanceRestraint_get_version_info(self)
6159 __swig_destroy__ = _IMP_core.delete_DistanceRestraint
6162 r"""__str__(DistanceRestraint self) -> std::string"""
6163 return _IMP_core.DistanceRestraint___str__(self)
6166 r"""__repr__(DistanceRestraint self) -> std::string"""
6167 return _IMP_core.DistanceRestraint___repr__(self)
6171 return _object_cast_to_DistanceRestraint(o)
6174 def _get_as_binary(self):
6175 r"""_get_as_binary(DistanceRestraint self) -> PyObject *"""
6176 return _IMP_core.DistanceRestraint__get_as_binary(self)
6178 def _set_from_binary(self, p):
6179 r"""_set_from_binary(DistanceRestraint self, PyObject * p)"""
6180 return _IMP_core.DistanceRestraint__set_from_binary(self, p)
6182 def __getstate__(self):
6183 p = self._get_as_binary()
6184 if len(self.__dict__) > 1:
6185 d = self.__dict__.copy()
6190 def __setstate__(self, p):
6191 if not hasattr(self,
'this'):
6193 if isinstance(p, tuple):
6195 self.__dict__.update(d)
6196 return self._set_from_binary(p)
6200 import jax.numpy
as jnp
6201 ps = self.get_score_object()
6202 indexes = jnp.array([self.get_index()])
6203 ji = ps._get_jax(self.get_model(), indexes)
6204 return self._wrap_jax(ji.score_func)
6208 _IMP_core.DistanceRestraint_swigregister(DistanceRestraint)
6210 r"""Proxy of C++ IMP::core::SphereDistanceToSingletonScore class."""
6212 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6214 def __init__(self, f, pt):
6215 r"""__init__(SphereDistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> SphereDistanceToSingletonScore"""
6216 _IMP_core.SphereDistanceToSingletonScore_swiginit(self, _IMP_core.new_SphereDistanceToSingletonScore(f, pt))
6218 def do_get_inputs(self, m, pis):
6219 r"""do_get_inputs(SphereDistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6220 return _IMP_core.SphereDistanceToSingletonScore_do_get_inputs(self, m, pis)
6222 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
6223 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"""
6224 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
6226 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
6227 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"""
6228 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
6230 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
6231 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"""
6232 return _IMP_core.SphereDistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
6234 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
6235 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"""
6236 return _IMP_core.SphereDistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
6238 def get_version_info(self):
6239 r"""get_version_info(SphereDistanceToSingletonScore self) -> VersionInfo"""
6240 return _IMP_core.SphereDistanceToSingletonScore_get_version_info(self)
6241 __swig_destroy__ = _IMP_core.delete_SphereDistanceToSingletonScore
6244 r"""__str__(SphereDistanceToSingletonScore self) -> std::string"""
6245 return _IMP_core.SphereDistanceToSingletonScore___str__(self)
6248 r"""__repr__(SphereDistanceToSingletonScore self) -> std::string"""
6249 return _IMP_core.SphereDistanceToSingletonScore___repr__(self)
6253 return _object_cast_to_SphereDistanceToSingletonScore(o)
6257 _IMP_core.SphereDistanceToSingletonScore_swigregister(SphereDistanceToSingletonScore)
6259 r"""Proxy of C++ IMP::core::ExcludedVolumeRestraint class."""
6261 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6263 def __init__(self, *args):
6264 r"""__init__(ExcludedVolumeRestraint self, _SingletonContainerAdaptor sc, double k=1, double slack=10, std::string name="ExcludedVolumeRestraint%1%") -> ExcludedVolumeRestraint"""
6265 _IMP_core.ExcludedVolumeRestraint_swiginit(self, _IMP_core.new_ExcludedVolumeRestraint(*args))
6267 def do_get_inputs(self):
6268 r"""do_get_inputs(ExcludedVolumeRestraint self) -> IMP::ModelObjectsTemp"""
6269 return _IMP_core.ExcludedVolumeRestraint_do_get_inputs(self)
6271 def get_version_info(self):
6272 r"""get_version_info(ExcludedVolumeRestraint self) -> VersionInfo"""
6273 return _IMP_core.ExcludedVolumeRestraint_get_version_info(self)
6274 __swig_destroy__ = _IMP_core.delete_ExcludedVolumeRestraint
6276 def do_create_decomposition(self):
6277 r"""do_create_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6278 return _IMP_core.ExcludedVolumeRestraint_do_create_decomposition(self)
6280 def do_create_current_decomposition(self):
6281 r"""do_create_current_decomposition(ExcludedVolumeRestraint self) -> IMP::Restraints"""
6282 return _IMP_core.ExcludedVolumeRestraint_do_create_current_decomposition(self)
6285 r"""get_indexes(ExcludedVolumeRestraint self) -> IMP::ParticleIndexPairs const &"""
6286 return _IMP_core.ExcludedVolumeRestraint_get_indexes(self)
6287 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)
6288 def __set_pair_filters(self, obj): IMP._list_util.set_varlist(self.pair_filters, obj)
6289 def __del_pair_filters(self): IMP._list_util.del_varlist(self.pair_filters)
6290 pair_filters = property(__get_pair_filters, __set_pair_filters, __del_pair_filters, doc=
"List of ##ucnames")
6292 def remove_pair_filter(self, d):
6293 r"""remove_pair_filter(ExcludedVolumeRestraint self, PairPredicate d)"""
6294 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filter(self, d)
6296 def _python_index_pair_filter(self, d, start, stop):
6297 r"""_python_index_pair_filter(ExcludedVolumeRestraint self, PairPredicate d, unsigned int start, unsigned int stop) -> unsigned int"""
6298 return _IMP_core.ExcludedVolumeRestraint__python_index_pair_filter(self, d, start, stop)
6300 def remove_pair_filters(self, d):
6301 r"""remove_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & d)"""
6302 return _IMP_core.ExcludedVolumeRestraint_remove_pair_filters(self, d)
6304 def set_pair_filters(self, ps):
6305 r"""set_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & ps)"""
6306 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters(self, ps)
6308 def set_pair_filters_order(self, objs):
6309 r"""set_pair_filters_order(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6310 return _IMP_core.ExcludedVolumeRestraint_set_pair_filters_order(self, objs)
6312 def add_pair_filter(self, obj):
6313 r"""add_pair_filter(ExcludedVolumeRestraint self, PairPredicate obj) -> unsigned int"""
6314 return _IMP_core.ExcludedVolumeRestraint_add_pair_filter(self, obj)
6316 def add_pair_filters(self, objs):
6317 r"""add_pair_filters(ExcludedVolumeRestraint self, IMP::PairPredicates const & objs)"""
6318 return _IMP_core.ExcludedVolumeRestraint_add_pair_filters(self, objs)
6320 def clear_pair_filters(self):
6321 r"""clear_pair_filters(ExcludedVolumeRestraint self)"""
6322 return _IMP_core.ExcludedVolumeRestraint_clear_pair_filters(self)
6324 def get_number_of_pair_filters(self):
6325 r"""get_number_of_pair_filters(ExcludedVolumeRestraint self) -> unsigned int"""
6326 return _IMP_core.ExcludedVolumeRestraint_get_number_of_pair_filters(self)
6328 def get_has_pair_filters(self):
6329 r"""get_has_pair_filters(ExcludedVolumeRestraint self) -> bool"""
6330 return _IMP_core.ExcludedVolumeRestraint_get_has_pair_filters(self)
6332 def get_pair_filter(self, i):
6333 r"""get_pair_filter(ExcludedVolumeRestraint self, unsigned int i) -> PairPredicate"""
6334 return _IMP_core.ExcludedVolumeRestraint_get_pair_filter(self, i)
6336 def get_pair_filters(self):
6337 r"""get_pair_filters(ExcludedVolumeRestraint self) -> IMP::PairPredicates"""
6338 return _IMP_core.ExcludedVolumeRestraint_get_pair_filters(self)
6340 def erase_pair_filter(self, i):
6341 r"""erase_pair_filter(ExcludedVolumeRestraint self, unsigned int i)"""
6342 return _IMP_core.ExcludedVolumeRestraint_erase_pair_filter(self, i)
6344 def reserve_pair_filters(self, sz):
6345 r"""reserve_pair_filters(ExcludedVolumeRestraint self, unsigned int sz)"""
6346 return _IMP_core.ExcludedVolumeRestraint_reserve_pair_filters(self, sz)
6349 r"""__str__(ExcludedVolumeRestraint self) -> std::string"""
6350 return _IMP_core.ExcludedVolumeRestraint___str__(self)
6353 r"""__repr__(ExcludedVolumeRestraint self) -> std::string"""
6354 return _IMP_core.ExcludedVolumeRestraint___repr__(self)
6358 return _object_cast_to_ExcludedVolumeRestraint(o)
6362 _IMP_core.ExcludedVolumeRestraint_swigregister(ExcludedVolumeRestraint)
6364 r"""Proxy of C++ IMP::core::FixedRefiner class."""
6366 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6368 def __init__(self, *args):
6370 __init__(FixedRefiner self, IMP::ParticlesTemp const & ps) -> FixedRefiner
6371 __init__(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> FixedRefiner
6373 _IMP_core.FixedRefiner_swiginit(self, _IMP_core.new_FixedRefiner(*args))
6375 def do_get_inputs(self, m, pis):
6376 r"""do_get_inputs(FixedRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6377 return _IMP_core.FixedRefiner_do_get_inputs(self, m, pis)
6379 def get_version_info(self):
6380 r"""get_version_info(FixedRefiner self) -> VersionInfo"""
6381 return _IMP_core.FixedRefiner_get_version_info(self)
6382 __swig_destroy__ = _IMP_core.delete_FixedRefiner
6385 r"""__str__(FixedRefiner self) -> std::string"""
6386 return _IMP_core.FixedRefiner___str__(self)
6389 r"""__repr__(FixedRefiner self) -> std::string"""
6390 return _IMP_core.FixedRefiner___repr__(self)
6394 return _object_cast_to_FixedRefiner(o)
6398 _IMP_core.FixedRefiner_swigregister(FixedRefiner)
6399 class GridClosePairsFinder(ClosePairsFinder):
6400 r"""Proxy of C++ IMP::core::GridClosePairsFinder class."""
6402 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6405 r"""__init__(GridClosePairsFinder self) -> GridClosePairsFinder"""
6406 _IMP_core.GridClosePairsFinder_swiginit(self, _IMP_core.new_GridClosePairsFinder())
6408 def get_close_pairs(self, *args):
6410 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6411 get_close_pairs(GridClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
6412 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
6413 get_close_pairs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
6415 return _IMP_core.GridClosePairsFinder_get_close_pairs(self, *args)
6417 def do_get_inputs(self, m, pis):
6418 r"""do_get_inputs(GridClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6419 return _IMP_core.GridClosePairsFinder_do_get_inputs(self, m, pis)
6421 def get_version_info(self):
6422 r"""get_version_info(GridClosePairsFinder self) -> VersionInfo"""
6423 return _IMP_core.GridClosePairsFinder_get_version_info(self)
6424 __swig_destroy__ = _IMP_core.delete_GridClosePairsFinder
6427 r"""__str__(GridClosePairsFinder self) -> std::string"""
6428 return _IMP_core.GridClosePairsFinder___str__(self)
6431 r"""__repr__(GridClosePairsFinder self) -> std::string"""
6432 return _IMP_core.GridClosePairsFinder___repr__(self)
6436 return _object_cast_to_GridClosePairsFinder(o)
6439 def _get_as_binary(self):
6440 r"""_get_as_binary(GridClosePairsFinder self) -> PyObject *"""
6441 return _IMP_core.GridClosePairsFinder__get_as_binary(self)
6443 def _set_from_binary(self, p):
6444 r"""_set_from_binary(GridClosePairsFinder self, PyObject * p)"""
6445 return _IMP_core.GridClosePairsFinder__set_from_binary(self, p)
6447 def __getstate__(self):
6448 p = self._get_as_binary()
6449 if len(self.__dict__) > 1:
6450 d = self.__dict__.copy()
6455 def __setstate__(self, p):
6456 if not hasattr(self,
'this'):
6458 if isinstance(p, tuple):
6460 self.__dict__.update(d)
6461 return self._set_from_binary(p)
6465 _IMP_core.GridClosePairsFinder_swigregister(GridClosePairsFinder)
6467 r"""Proxy of C++ IMP::core::Harmonic class."""
6469 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6471 def __init__(self, *args):
6473 __init__(Harmonic self, IMP::Float mean, IMP::Float k) -> Harmonic
6474 __init__(Harmonic self) -> Harmonic
6476 _IMP_core.Harmonic_swiginit(self, _IMP_core.new_Harmonic(*args))
6478 def get_version_info(self):
6479 r"""get_version_info(Harmonic self) -> VersionInfo"""
6480 return _IMP_core.Harmonic_get_version_info(self)
6481 __swig_destroy__ = _IMP_core.delete_Harmonic
6484 r"""get_mean(Harmonic self) -> IMP::Float"""
6485 return _IMP_core.Harmonic_get_mean(self)
6488 r"""get_k(Harmonic self) -> IMP::Float"""
6489 return _IMP_core.Harmonic_get_k(self)
6491 def set_mean(self, mean):
6492 r"""set_mean(Harmonic self, IMP::Float mean)"""
6493 return _IMP_core.Harmonic_set_mean(self, mean)
6496 r"""set_k(Harmonic self, IMP::Float k)"""
6497 return _IMP_core.Harmonic_set_k(self, k)
6500 def get_k_from_standard_deviation(sd, t=297.15):
6501 r"""get_k_from_standard_deviation(IMP::Float sd, IMP::Float t=297.15) -> IMP::Float"""
6502 return _IMP_core.Harmonic_get_k_from_standard_deviation(sd, t)
6505 r"""__str__(Harmonic self) -> std::string"""
6506 return _IMP_core.Harmonic___str__(self)
6509 r"""__repr__(Harmonic self) -> std::string"""
6510 return _IMP_core.Harmonic___repr__(self)
6514 return _object_cast_to_Harmonic(o)
6517 def _get_as_binary(self):
6518 r"""_get_as_binary(Harmonic self) -> PyObject *"""
6519 return _IMP_core.Harmonic__get_as_binary(self)
6521 def _set_from_binary(self, p):
6522 r"""_set_from_binary(Harmonic self, PyObject * p)"""
6523 return _IMP_core.Harmonic__set_from_binary(self, p)
6525 def __getstate__(self):
6526 p = self._get_as_binary()
6527 if len(self.__dict__) > 1:
6528 d = self.__dict__.copy()
6533 def __setstate__(self, p):
6534 if not hasattr(self,
'this'):
6536 if isinstance(p, tuple):
6538 self.__dict__.update(d)
6539 return self._set_from_binary(p)
6543 def score(val, mean, k):
6544 return 0.5 * k * (mean - val) ** 2
6545 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6549 _IMP_core.Harmonic_swigregister(Harmonic)
6551 r"""Proxy of C++ IMP::core::HarmonicWell class."""
6553 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6555 def __init__(self, well, k):
6556 r"""__init__(HarmonicWell self, IMP::FloatRange const & well, double k) -> HarmonicWell"""
6557 _IMP_core.HarmonicWell_swiginit(self, _IMP_core.new_HarmonicWell(well, k))
6560 r"""get_well(HarmonicWell self) -> IMP::FloatRange"""
6561 return _IMP_core.HarmonicWell_get_well(self)
6564 r"""get_k(HarmonicWell self) -> double"""
6565 return _IMP_core.HarmonicWell_get_k(self)
6567 def get_version_info(self):
6568 r"""get_version_info(HarmonicWell self) -> VersionInfo"""
6569 return _IMP_core.HarmonicWell_get_version_info(self)
6570 __swig_destroy__ = _IMP_core.delete_HarmonicWell
6573 r"""__str__(HarmonicWell self) -> std::string"""
6574 return _IMP_core.HarmonicWell___str__(self)
6577 r"""__repr__(HarmonicWell self) -> std::string"""
6578 return _IMP_core.HarmonicWell___repr__(self)
6582 return _object_cast_to_HarmonicWell(o)
6586 import jax.numpy
as jnp
6587 def score(val, lb, ub, k):
6588 return 0.5 * k * (val - jnp.clip(val, lb, ub)) ** 2
6589 well = self.get_well()
6590 return functools.partial(score, lb=well[0], ub=well[1], k=self.get_k())
6594 _IMP_core.HarmonicWell_swigregister(HarmonicWell)
6595 class HarmonicLowerBound(Harmonic):
6596 r"""Proxy of C++ IMP::core::HarmonicLowerBound class."""
6598 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6600 def __init__(self, *args):
6602 __init__(HarmonicLowerBound self, IMP::Float mean, IMP::Float k) -> HarmonicLowerBound
6603 __init__(HarmonicLowerBound self) -> HarmonicLowerBound
6605 _IMP_core.HarmonicLowerBound_swiginit(self, _IMP_core.new_HarmonicLowerBound(*args))
6606 __swig_destroy__ = _IMP_core.delete_HarmonicLowerBound
6609 r"""__str__(HarmonicLowerBound self) -> std::string"""
6610 return _IMP_core.HarmonicLowerBound___str__(self)
6613 r"""__repr__(HarmonicLowerBound self) -> std::string"""
6614 return _IMP_core.HarmonicLowerBound___repr__(self)
6618 return _object_cast_to_HarmonicLowerBound(o)
6621 def _get_as_binary(self):
6622 r"""_get_as_binary(HarmonicLowerBound self) -> PyObject *"""
6623 return _IMP_core.HarmonicLowerBound__get_as_binary(self)
6625 def _set_from_binary(self, p):
6626 r"""_set_from_binary(HarmonicLowerBound self, PyObject * p)"""
6627 return _IMP_core.HarmonicLowerBound__set_from_binary(self, p)
6629 def __getstate__(self):
6630 p = self._get_as_binary()
6631 if len(self.__dict__) > 1:
6632 d = self.__dict__.copy()
6637 def __setstate__(self, p):
6638 if not hasattr(self,
'this'):
6640 if isinstance(p, tuple):
6642 self.__dict__.update(d)
6643 return self._set_from_binary(p)
6648 def score(val, mean, k):
6649 return 0.5 * k * jax.lax.max(mean - val, 0.0) ** 2
6650 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6654 _IMP_core.HarmonicLowerBound_swigregister(HarmonicLowerBound)
6655 class HarmonicUpperBound(Harmonic):
6656 r"""Proxy of C++ IMP::core::HarmonicUpperBound class."""
6658 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6660 def __init__(self, *args):
6662 __init__(HarmonicUpperBound self, IMP::Float mean, IMP::Float k) -> HarmonicUpperBound
6663 __init__(HarmonicUpperBound self) -> HarmonicUpperBound
6665 _IMP_core.HarmonicUpperBound_swiginit(self, _IMP_core.new_HarmonicUpperBound(*args))
6666 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBound
6669 r"""__str__(HarmonicUpperBound self) -> std::string"""
6670 return _IMP_core.HarmonicUpperBound___str__(self)
6673 r"""__repr__(HarmonicUpperBound self) -> std::string"""
6674 return _IMP_core.HarmonicUpperBound___repr__(self)
6678 return _object_cast_to_HarmonicUpperBound(o)
6681 def _get_as_binary(self):
6682 r"""_get_as_binary(HarmonicUpperBound self) -> PyObject *"""
6683 return _IMP_core.HarmonicUpperBound__get_as_binary(self)
6685 def _set_from_binary(self, p):
6686 r"""_set_from_binary(HarmonicUpperBound self, PyObject * p)"""
6687 return _IMP_core.HarmonicUpperBound__set_from_binary(self, p)
6689 def __getstate__(self):
6690 p = self._get_as_binary()
6691 if len(self.__dict__) > 1:
6692 d = self.__dict__.copy()
6697 def __setstate__(self, p):
6698 if not hasattr(self,
'this'):
6700 if isinstance(p, tuple):
6702 self.__dict__.update(d)
6703 return self._set_from_binary(p)
6708 def score(val, mean, k):
6709 return 0.5 * k * jax.lax.min(mean - val, 0.0) ** 2
6710 return functools.partial(score, mean=self.get_mean(), k=self.get_k())
6714 _IMP_core.HarmonicUpperBound_swigregister(HarmonicUpperBound)
6716 r"""Proxy of C++ IMP::core::WeightedSum class."""
6718 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6720 def __init__(self, funcs, weights):
6721 r"""__init__(WeightedSum self, IMP::UnaryFunctions funcs, IMP::Floats weights) -> WeightedSum"""
6722 _IMP_core.WeightedSum_swiginit(self, _IMP_core.new_WeightedSum(funcs, weights))
6724 def get_function_number(self):
6725 r"""get_function_number(WeightedSum self) -> unsigned int"""
6726 return _IMP_core.WeightedSum_get_function_number(self)
6728 def set_weights(self, weights):
6729 r"""set_weights(WeightedSum self, IMP::Floats weights)"""
6730 return _IMP_core.WeightedSum_set_weights(self, weights)
6732 def get_weights(self):
6733 r"""get_weights(WeightedSum self) -> IMP::Floats"""
6734 return _IMP_core.WeightedSum_get_weights(self)
6736 def get_weight(self, i):
6737 r"""get_weight(WeightedSum self, unsigned int i) -> double"""
6738 return _IMP_core.WeightedSum_get_weight(self, i)
6740 def get_function(self, i):
6741 r"""get_function(WeightedSum self, unsigned int i) -> UnaryFunction"""
6742 return _IMP_core.WeightedSum_get_function(self, i)
6744 def get_version_info(self):
6745 r"""get_version_info(WeightedSum self) -> VersionInfo"""
6746 return _IMP_core.WeightedSum_get_version_info(self)
6747 __swig_destroy__ = _IMP_core.delete_WeightedSum
6750 r"""__str__(WeightedSum self) -> std::string"""
6751 return _IMP_core.WeightedSum___str__(self)
6754 r"""__repr__(WeightedSum self) -> std::string"""
6755 return _IMP_core.WeightedSum___repr__(self)
6759 return _object_cast_to_WeightedSum(o)
6763 import jax.numpy
as jnp
6764 def score(val, funcs, weights):
6765 return sum(f(val) * weight
for (f, weight)
in zip(funcs, weights))
6766 nfunc = self.get_function_number()
6767 funcs = [self.get_function(i).get_derived_object()._get_jax()
6768 for i
in range(nfunc)]
6769 return functools.partial(score, funcs=funcs,
6770 weights=self.get_weights())
6774 _IMP_core.WeightedSum_swigregister(WeightedSum)
6776 r"""Proxy of C++ IMP::core::WeightedSumOfExponential class."""
6778 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6780 def __init__(self, funcs, weights, denom=1.0):
6781 r"""__init__(WeightedSumOfExponential self, IMP::UnaryFunctions funcs, IMP::Floats weights, IMP::Float denom=1.0) -> WeightedSumOfExponential"""
6782 _IMP_core.WeightedSumOfExponential_swiginit(self, _IMP_core.new_WeightedSumOfExponential(funcs, weights, denom))
6784 def get_function_number(self):
6785 r"""get_function_number(WeightedSumOfExponential self) -> unsigned int"""
6786 return _IMP_core.WeightedSumOfExponential_get_function_number(self)
6788 def set_weights(self, weights):
6789 r"""set_weights(WeightedSumOfExponential self, IMP::Floats weights)"""
6790 return _IMP_core.WeightedSumOfExponential_set_weights(self, weights)
6792 def get_weights(self):
6793 r"""get_weights(WeightedSumOfExponential self) -> IMP::Floats"""
6794 return _IMP_core.WeightedSumOfExponential_get_weights(self)
6796 def get_weight(self, i):
6797 r"""get_weight(WeightedSumOfExponential self, unsigned int i) -> double"""
6798 return _IMP_core.WeightedSumOfExponential_get_weight(self, i)
6800 def get_function(self, i):
6801 r"""get_function(WeightedSumOfExponential self, unsigned int i) -> UnaryFunction"""
6802 return _IMP_core.WeightedSumOfExponential_get_function(self, i)
6804 def set_denominator(self, denom):
6805 r"""set_denominator(WeightedSumOfExponential self, double denom)"""
6806 return _IMP_core.WeightedSumOfExponential_set_denominator(self, denom)
6808 def get_denominator(self):
6809 r"""get_denominator(WeightedSumOfExponential self) -> double"""
6810 return _IMP_core.WeightedSumOfExponential_get_denominator(self)
6812 def get_version_info(self):
6813 r"""get_version_info(WeightedSumOfExponential self) -> VersionInfo"""
6814 return _IMP_core.WeightedSumOfExponential_get_version_info(self)
6815 __swig_destroy__ = _IMP_core.delete_WeightedSumOfExponential
6818 r"""__str__(WeightedSumOfExponential self) -> std::string"""
6819 return _IMP_core.WeightedSumOfExponential___str__(self)
6822 r"""__repr__(WeightedSumOfExponential self) -> std::string"""
6823 return _IMP_core.WeightedSumOfExponential___repr__(self)
6827 return _object_cast_to_WeightedSumOfExponential(o)
6831 import jax.numpy
as jnp
6832 def score(val, funcs, weights, denom):
6833 exp_sum = sum(weight * jnp.exp(-f(val) / denom)
6834 for (f, weight)
in zip(funcs, weights))
6835 return -jnp.log(exp_sum) * denom
6836 nfunc = self.get_function_number()
6837 funcs = [self.get_function(i).get_derived_object()._get_jax()
6838 for i
in range(nfunc)]
6839 return functools.partial(score, funcs=funcs,
6840 weights=self.get_weights(),
6841 denom=self.get_denominator())
6845 _IMP_core.WeightedSumOfExponential_swigregister(WeightedSumOfExponential)
6847 r"""Proxy of C++ IMP::core::MSConnectivityRestraint class."""
6849 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6851 def __init__(self, m, ps, eps=0.1):
6852 r"""__init__(MSConnectivityRestraint self, Model m, PairScore ps, double eps=0.1) -> MSConnectivityRestraint"""
6853 _IMP_core.MSConnectivityRestraint_swiginit(self, _IMP_core.new_MSConnectivityRestraint(m, ps, eps))
6855 def add_type(self, ps):
6856 r"""add_type(MSConnectivityRestraint self, IMP::ParticlesTemp const & ps) -> unsigned int"""
6857 return _IMP_core.MSConnectivityRestraint_add_type(self, ps)
6859 def add_composite(self, *args):
6861 add_composite(MSConnectivityRestraint self, IMP::Ints const & components) -> unsigned int
6862 add_composite(MSConnectivityRestraint self, IMP::Ints const & components, unsigned int parent) -> unsigned int
6864 return _IMP_core.MSConnectivityRestraint_add_composite(self, *args)
6866 def get_connected_pairs(self):
6867 r"""get_connected_pairs(MSConnectivityRestraint self) -> IMP::ParticlePairsTemp"""
6868 return _IMP_core.MSConnectivityRestraint_get_connected_pairs(self)
6870 def get_pair_score(self):
6871 r"""get_pair_score(MSConnectivityRestraint self) -> PairScore"""
6872 return _IMP_core.MSConnectivityRestraint_get_pair_score(self)
6874 def do_create_current_decomposition(self):
6875 r"""do_create_current_decomposition(MSConnectivityRestraint self) -> IMP::Restraints"""
6876 return _IMP_core.MSConnectivityRestraint_do_create_current_decomposition(self)
6878 def do_get_inputs(self):
6879 r"""do_get_inputs(MSConnectivityRestraint self) -> IMP::ModelObjectsTemp"""
6880 return _IMP_core.MSConnectivityRestraint_do_get_inputs(self)
6882 def get_version_info(self):
6883 r"""get_version_info(MSConnectivityRestraint self) -> VersionInfo"""
6884 return _IMP_core.MSConnectivityRestraint_get_version_info(self)
6885 __swig_destroy__ = _IMP_core.delete_MSConnectivityRestraint
6888 r"""__str__(MSConnectivityRestraint self) -> std::string"""
6889 return _IMP_core.MSConnectivityRestraint___str__(self)
6892 r"""__repr__(MSConnectivityRestraint self) -> std::string"""
6893 return _IMP_core.MSConnectivityRestraint___repr__(self)
6897 return _object_cast_to_MSConnectivityRestraint(o)
6901 _IMP_core.MSConnectivityRestraint_swigregister(MSConnectivityRestraint)
6902 class HierarchyTraits(object):
6903 r"""Proxy of C++ IMP::core::HierarchyTraits class."""
6905 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6907 def __init__(self, *args):
6909 __init__(HierarchyTraits self) -> HierarchyTraits
6910 __init__(HierarchyTraits self, std::string name) -> HierarchyTraits
6912 _IMP_core.HierarchyTraits_swiginit(self, _IMP_core.new_HierarchyTraits(*args))
6914 def get_children_key(self):
6915 r"""get_children_key(HierarchyTraits self) -> ParticleIndexesKey"""
6916 return _IMP_core.HierarchyTraits_get_children_key(self)
6918 def get_parent_key(self):
6919 r"""get_parent_key(HierarchyTraits self) -> ParticleIndexKey"""
6920 return _IMP_core.HierarchyTraits_get_parent_key(self)
6922 def __eq__(self, o):
6923 r"""__eq__(HierarchyTraits self, HierarchyTraits o) -> bool"""
6924 return _IMP_core.HierarchyTraits___eq__(self, o)
6926 def show(self, *args):
6927 r"""show(HierarchyTraits self, _ostream out=std::cout)"""
6928 return _IMP_core.HierarchyTraits_show(self, *args)
6931 r"""__str__(HierarchyTraits self) -> std::string"""
6932 return _IMP_core.HierarchyTraits___str__(self)
6935 r"""__repr__(HierarchyTraits self) -> std::string"""
6936 return _IMP_core.HierarchyTraits___repr__(self)
6937 __swig_destroy__ = _IMP_core.delete_HierarchyTraits
6940 _IMP_core.HierarchyTraits_swigregister(HierarchyTraits)
6942 r"""Proxy of C++ IMP::core::Hierarchy class."""
6944 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
6946 def get_decorator_traits(self):
6947 r"""get_decorator_traits(Hierarchy self) -> HierarchyTraits"""
6948 return _IMP_core.Hierarchy_get_decorator_traits(self)
6951 def get_default_decorator_traits():
6952 r"""get_default_decorator_traits() -> HierarchyTraits"""
6953 return _IMP_core.Hierarchy_get_default_decorator_traits()
6955 def __init__(self, *args):
6957 __init__(Hierarchy self) -> Hierarchy
6958 __init__(Hierarchy self, Model m, ParticleIndex id, HierarchyTraits tr=get_default_traits()) -> Hierarchy
6959 __init__(Hierarchy self, _ParticleAdaptor d, HierarchyTraits tr=get_default_traits()) -> Hierarchy
6961 _IMP_core.Hierarchy_swiginit(self, _IMP_core.new_Hierarchy(*args))
6963 def show(self, *args):
6964 r"""show(Hierarchy self, _ostream out=std::cout)"""
6965 return _IMP_core.Hierarchy_show(self, *args)
6968 def setup_particle(*args):
6970 setup_particle(Model m, ParticleIndex pi, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
6971 setup_particle(_ParticleAdaptor d, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
6972 setup_particle(Model m, ParticleIndex pi, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
6973 setup_particle(_ParticleAdaptor d, IMP::ParticleIndexes children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
6974 setup_particle(Model m, ParticleIndex pi, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
6975 setup_particle(_ParticleAdaptor d, IMP::ParticlesTemp children, HierarchyTraits tr=IMP::core::Hierarchy::get_default_decorator_traits()) -> Hierarchy
6977 return _IMP_core.Hierarchy_setup_particle(*args)
6980 def get_is_setup(*args):
6982 get_is_setup(_ParticleAdaptor p, HierarchyTraits tr=get_default_traits()) -> bool
6983 get_is_setup(Model arg1, ParticleIndex arg2, HierarchyTraits arg3=Hierarchy::get_default_traits()) -> bool
6985 return _IMP_core.Hierarchy_get_is_setup(*args)
6988 def get_changed_key():
6989 r"""get_changed_key() -> TriggerKey"""
6990 return _IMP_core.Hierarchy_get_changed_key()
6992 def get_parent(self):
6993 r"""get_parent(Hierarchy self) -> Hierarchy"""
6994 return _IMP_core.Hierarchy_get_parent(self)
6996 def get_number_of_children(self):
6997 r"""get_number_of_children(Hierarchy self) -> unsigned int"""
6998 return _IMP_core.Hierarchy_get_number_of_children(self)
7000 def get_child(self, i):
7001 r"""get_child(Hierarchy self, unsigned int i) -> Hierarchy"""
7002 return _IMP_core.Hierarchy_get_child(self, i)
7004 def get_children_indexes(self):
7005 r"""get_children_indexes(Hierarchy self) -> IMP::ParticleIndexes"""
7006 return _IMP_core.Hierarchy_get_children_indexes(self)
7008 def get_children(self):
7009 r"""get_children(Hierarchy self) -> IMP::core::GenericHierarchies"""
7010 return _IMP_core.Hierarchy_get_children(self)
7012 def remove_child(self, *args):
7014 remove_child(Hierarchy self, unsigned int i)
7015 remove_child(Hierarchy self, Hierarchy h)
7017 return _IMP_core.Hierarchy_remove_child(self, *args)
7019 def clear_children(self):
7020 r"""clear_children(Hierarchy self)"""
7021 return _IMP_core.Hierarchy_clear_children(self)
7023 def add_child(self, h):
7024 r"""add_child(Hierarchy self, Hierarchy h)"""
7025 return _IMP_core.Hierarchy_add_child(self, h)
7027 def add_child_at(self, h, pos):
7028 r"""add_child_at(Hierarchy self, Hierarchy h, unsigned int pos)"""
7029 return _IMP_core.Hierarchy_add_child_at(self, h, pos)
7031 def get_child_index(self, *args):
7033 get_child_index(Hierarchy self, unsigned int i) -> ParticleIndex
7034 get_child_index(Hierarchy self) -> int
7036 return _IMP_core.Hierarchy_get_child_index(self, *args)
7039 def get_default_traits():
7040 r"""get_default_traits() -> HierarchyTraits"""
7041 return _IMP_core.Hierarchy_get_default_traits()
7043 def get_traits(self):
7044 r"""get_traits(Hierarchy self) -> HierarchyTraits"""
7045 return _IMP_core.Hierarchy_get_traits(self)
7047 def add_attribute(self, *args):
7049 add_attribute(Hierarchy self, FloatKey k, IMP::Float v, bool opt)
7050 add_attribute(Hierarchy self, FloatKey a0, IMP::Float a1)
7051 add_attribute(Hierarchy self, IntKey a0, IMP::Int a1)
7052 add_attribute(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7053 add_attribute(Hierarchy self, IntsKey a0, IMP::Ints a1)
7054 add_attribute(Hierarchy self, StringKey a0, IMP::String a1)
7055 add_attribute(Hierarchy self, ParticleIndexKey a0, Particle a1)
7056 add_attribute(Hierarchy self, ObjectKey a0, Object a1)
7057 add_attribute(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7058 add_attribute(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7059 add_attribute(Hierarchy self, SparseStringKey a0, IMP::String a1)
7060 add_attribute(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7062 return _IMP_core.Hierarchy_add_attribute(self, *args)
7064 def get_value(self, *args):
7066 get_value(Hierarchy self, FloatKey a0) -> IMP::Float
7067 get_value(Hierarchy self, IntKey a0) -> IMP::Int
7068 get_value(Hierarchy self, FloatsKey a0) -> IMP::Floats
7069 get_value(Hierarchy self, IntsKey a0) -> IMP::Ints
7070 get_value(Hierarchy self, StringKey a0) -> IMP::String
7071 get_value(Hierarchy self, ParticleIndexKey a0) -> Particle
7072 get_value(Hierarchy self, ObjectKey a0) -> Object
7073 get_value(Hierarchy self, SparseFloatKey a0) -> IMP::Float
7074 get_value(Hierarchy self, SparseIntKey a0) -> IMP::Int
7075 get_value(Hierarchy self, SparseStringKey a0) -> IMP::String
7076 get_value(Hierarchy self, SparseParticleIndexKey a0) -> ParticleIndex
7078 return _IMP_core.Hierarchy_get_value(self, *args)
7080 def set_value(self, *args):
7082 set_value(Hierarchy self, FloatKey a0, IMP::Float a1)
7083 set_value(Hierarchy self, IntKey a0, IMP::Int a1)
7084 set_value(Hierarchy self, FloatsKey a0, IMP::Floats a1)
7085 set_value(Hierarchy self, IntsKey a0, IMP::Ints a1)
7086 set_value(Hierarchy self, StringKey a0, IMP::String a1)
7087 set_value(Hierarchy self, ParticleIndexKey a0, Particle a1)
7088 set_value(Hierarchy self, ObjectKey a0, Object a1)
7089 set_value(Hierarchy self, SparseFloatKey a0, IMP::Float a1)
7090 set_value(Hierarchy self, SparseIntKey a0, IMP::Int a1)
7091 set_value(Hierarchy self, SparseStringKey a0, IMP::String a1)
7092 set_value(Hierarchy self, SparseParticleIndexKey a0, ParticleIndex a1)
7094 return _IMP_core.Hierarchy_set_value(self, *args)
7096 def remove_attribute(self, *args):
7098 remove_attribute(Hierarchy self, FloatKey a0)
7099 remove_attribute(Hierarchy self, IntKey a0)
7100 remove_attribute(Hierarchy self, FloatsKey a0)
7101 remove_attribute(Hierarchy self, IntsKey a0)
7102 remove_attribute(Hierarchy self, StringKey a0)
7103 remove_attribute(Hierarchy self, ParticleIndexKey a0)
7104 remove_attribute(Hierarchy self, ObjectKey a0)
7105 remove_attribute(Hierarchy self, SparseFloatKey a0)
7106 remove_attribute(Hierarchy self, SparseIntKey a0)
7107 remove_attribute(Hierarchy self, SparseStringKey a0)
7108 remove_attribute(Hierarchy self, SparseParticleIndexKey a0)
7110 return _IMP_core.Hierarchy_remove_attribute(self, *args)
7112 def has_attribute(self, *args):
7114 has_attribute(Hierarchy self, FloatKey a0) -> bool
7115 has_attribute(Hierarchy self, IntKey a0) -> bool
7116 has_attribute(Hierarchy self, FloatsKey a0) -> bool
7117 has_attribute(Hierarchy self, IntsKey a0) -> bool
7118 has_attribute(Hierarchy self, StringKey a0) -> bool
7119 has_attribute(Hierarchy self, ParticleIndexKey a0) -> bool
7120 has_attribute(Hierarchy self, ObjectKey a0) -> bool
7121 has_attribute(Hierarchy self, SparseFloatKey a0) -> bool
7122 has_attribute(Hierarchy self, SparseIntKey a0) -> bool
7123 has_attribute(Hierarchy self, SparseStringKey a0) -> bool
7124 has_attribute(Hierarchy self, SparseParticleIndexKey a0) -> bool
7126 return _IMP_core.Hierarchy_has_attribute(self, *args)
7128 def get_derivative(self, a0):
7129 r"""get_derivative(Hierarchy self, FloatKey a0) -> double"""
7130 return _IMP_core.Hierarchy_get_derivative(self, a0)
7133 r"""get_name(Hierarchy self) -> std::string"""
7134 return _IMP_core.Hierarchy_get_name(self)
7136 def clear_caches(self):
7137 r"""clear_caches(Hierarchy self)"""
7138 return _IMP_core.Hierarchy_clear_caches(self)
7140 def set_name(self, a0):
7141 r"""set_name(Hierarchy self, std::string a0)"""
7142 return _IMP_core.Hierarchy_set_name(self, a0)
7145 r"""set_check_level(Hierarchy self, IMP::CheckLevel a0)"""
7146 return _IMP_core.Hierarchy_set_check_level(self, a0)
7148 def add_to_derivative(self, a0, a1, a2):
7149 r"""add_to_derivative(Hierarchy self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7150 return _IMP_core.Hierarchy_add_to_derivative(self, a0, a1, a2)
7152 def set_is_optimized(self, a0, a1):
7153 r"""set_is_optimized(Hierarchy self, FloatKey a0, bool a1)"""
7154 return _IMP_core.Hierarchy_set_is_optimized(self, a0, a1)
7156 def get_is_optimized(self, a0):
7157 r"""get_is_optimized(Hierarchy self, FloatKey a0) -> bool"""
7158 return _IMP_core.Hierarchy_get_is_optimized(self, a0)
7161 r"""get_check_level(Hierarchy self) -> IMP::CheckLevel"""
7162 return _IMP_core.Hierarchy_get_check_level(self)
7164 def __eq__(self, *args):
7166 __eq__(Hierarchy self, Hierarchy o) -> bool
7167 __eq__(Hierarchy self, Particle d) -> bool
7169 return _IMP_core.Hierarchy___eq__(self, *args)
7171 def __ne__(self, *args):
7173 __ne__(Hierarchy self, Hierarchy o) -> bool
7174 __ne__(Hierarchy self, Particle d) -> bool
7176 return _IMP_core.Hierarchy___ne__(self, *args)
7178 def __le__(self, *args):
7180 __le__(Hierarchy self, Hierarchy o) -> bool
7181 __le__(Hierarchy self, Particle d) -> bool
7183 return _IMP_core.Hierarchy___le__(self, *args)
7185 def __lt__(self, *args):
7187 __lt__(Hierarchy self, Hierarchy o) -> bool
7188 __lt__(Hierarchy self, Particle d) -> bool
7190 return _IMP_core.Hierarchy___lt__(self, *args)
7192 def __ge__(self, *args):
7194 __ge__(Hierarchy self, Hierarchy o) -> bool
7195 __ge__(Hierarchy self, Particle d) -> bool
7197 return _IMP_core.Hierarchy___ge__(self, *args)
7199 def __gt__(self, *args):
7201 __gt__(Hierarchy self, Hierarchy o) -> bool
7202 __gt__(Hierarchy self, Particle d) -> bool
7204 return _IMP_core.Hierarchy___gt__(self, *args)
7207 r"""__hash__(Hierarchy self) -> std::size_t"""
7208 return _IMP_core.Hierarchy___hash__(self)
7211 r"""__str__(Hierarchy self) -> std::string"""
7212 return _IMP_core.Hierarchy___str__(self)
7215 r"""__repr__(Hierarchy self) -> std::string"""
7216 return _IMP_core.Hierarchy___repr__(self)
7217 __swig_destroy__ = _IMP_core.delete_Hierarchy
7220 _IMP_core.Hierarchy_swigregister(Hierarchy)
7221 class HierarchyVisitor(object):
7222 r"""Proxy of C++ IMP::core::HierarchyVisitor class."""
7224 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7225 __repr__ = _swig_repr
7228 r"""__init__(HierarchyVisitor self) -> HierarchyVisitor"""
7229 if self.__class__ == HierarchyVisitor:
7233 _IMP_core.HierarchyVisitor_swiginit(self, _IMP_core.new_HierarchyVisitor(_self, ))
7235 if self.__class__ != HierarchyVisitor:
7236 _director_objects.register(self)
7241 def __call__(self, p):
7242 r"""__call__(HierarchyVisitor self, Hierarchy p) -> bool"""
7243 return _IMP_core.HierarchyVisitor___call__(self, p)
7244 __swig_destroy__ = _IMP_core.delete_HierarchyVisitor
7245 def __disown__(self):
7247 _IMP_core.disown_HierarchyVisitor(self)
7248 return weakref.proxy(self)
7251 _IMP_core.HierarchyVisitor_swigregister(HierarchyVisitor)
7252 class ModifierVisitor(HierarchyVisitor):
7253 r"""Proxy of C++ IMP::core::ModifierVisitor class."""
7255 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7256 __repr__ = _swig_repr
7258 def __init__(self, sm):
7259 r"""__init__(ModifierVisitor self, SingletonModifier sm) -> ModifierVisitor"""
7260 _IMP_core.ModifierVisitor_swiginit(self, _IMP_core.new_ModifierVisitor(sm))
7261 __swig_destroy__ = _IMP_core.delete_ModifierVisitor
7264 _IMP_core.ModifierVisitor_swigregister(ModifierVisitor)
7265 class HierarchyCounter(HierarchyVisitor):
7266 r"""Proxy of C++ IMP::core::HierarchyCounter class."""
7268 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7271 r"""__init__(HierarchyCounter self) -> HierarchyCounter"""
7272 _IMP_core.HierarchyCounter_swiginit(self, _IMP_core.new_HierarchyCounter())
7274 def get_count(self):
7275 r"""get_count(HierarchyCounter self) -> unsigned int"""
7276 return _IMP_core.HierarchyCounter_get_count(self)
7278 def show(self, *args):
7279 r"""show(HierarchyCounter self, _ostream out=std::cout)"""
7280 return _IMP_core.HierarchyCounter_show(self, *args)
7283 r"""__str__(HierarchyCounter self) -> std::string"""
7284 return _IMP_core.HierarchyCounter___str__(self)
7287 r"""__repr__(HierarchyCounter self) -> std::string"""
7288 return _IMP_core.HierarchyCounter___repr__(self)
7290 def _get_as_binary(self):
7291 r"""_get_as_binary(HierarchyCounter self) -> PyObject *"""
7292 return _IMP_core.HierarchyCounter__get_as_binary(self)
7294 def _set_from_binary(self, p):
7295 r"""_set_from_binary(HierarchyCounter self, PyObject * p)"""
7296 return _IMP_core.HierarchyCounter__set_from_binary(self, p)
7298 def __getstate__(self):
7299 p = self._get_as_binary()
7300 if len(self.__dict__) > 1:
7301 d = self.__dict__.copy()
7306 def __setstate__(self, p):
7307 if not hasattr(self,
'this'):
7309 if isinstance(p, tuple):
7311 self.__dict__.update(d)
7312 return self._set_from_binary(p)
7314 __swig_destroy__ = _IMP_core.delete_HierarchyCounter
7317 _IMP_core.HierarchyCounter_swigregister(HierarchyCounter)
7320 r"""get_leaves(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7321 return _IMP_core.get_leaves(mhd)
7324 r"""get_internal(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7325 return _IMP_core.get_internal(mhd)
7328 r"""get_all_descendants(Hierarchy mhd) -> IMP::core::GenericHierarchies"""
7329 return _IMP_core.get_all_descendants(mhd)
7332 r"""get_root(Hierarchy h) -> Hierarchy"""
7333 return _IMP_core.get_root(h)
7336 r"""visit_breadth_first(Hierarchy d, HierarchyVisitor f)"""
7337 return _IMP_core.visit_breadth_first(d, f)
7340 r"""visit_depth_first(Hierarchy d, HierarchyVisitor f)"""
7341 return _IMP_core.visit_depth_first(d, f)
7343 r"""Proxy of C++ IMP::core::LeavesRefiner class."""
7345 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7347 def __init__(self, tr):
7348 r"""__init__(LeavesRefiner self, HierarchyTraits tr) -> LeavesRefiner"""
7349 _IMP_core.LeavesRefiner_swiginit(self, _IMP_core.new_LeavesRefiner(tr))
7351 def do_get_inputs(self, m, pis):
7352 r"""do_get_inputs(LeavesRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7353 return _IMP_core.LeavesRefiner_do_get_inputs(self, m, pis)
7355 def get_version_info(self):
7356 r"""get_version_info(LeavesRefiner self) -> VersionInfo"""
7357 return _IMP_core.LeavesRefiner_get_version_info(self)
7358 __swig_destroy__ = _IMP_core.delete_LeavesRefiner
7361 r"""__str__(LeavesRefiner self) -> std::string"""
7362 return _IMP_core.LeavesRefiner___str__(self)
7365 r"""__repr__(LeavesRefiner self) -> std::string"""
7366 return _IMP_core.LeavesRefiner___repr__(self)
7370 return _object_cast_to_LeavesRefiner(o)
7374 _IMP_core.LeavesRefiner_swigregister(LeavesRefiner)
7376 r"""Proxy of C++ IMP::core::Linear class."""
7378 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7380 def __init__(self, *args):
7382 __init__(Linear self, double offset, double slope) -> Linear
7383 __init__(Linear self) -> Linear
7385 _IMP_core.Linear_swiginit(self, _IMP_core.new_Linear(*args))
7387 def set_slope(self, f):
7388 r"""set_slope(Linear self, double f)"""
7389 return _IMP_core.Linear_set_slope(self, f)
7391 def get_slope(self):
7392 r"""get_slope(Linear self) -> double"""
7393 return _IMP_core.Linear_get_slope(self)
7395 def set_offset(self, f):
7396 r"""set_offset(Linear self, double f)"""
7397 return _IMP_core.Linear_set_offset(self, f)
7399 def get_offset(self):
7400 r"""get_offset(Linear self) -> double"""
7401 return _IMP_core.Linear_get_offset(self)
7403 def get_version_info(self):
7404 r"""get_version_info(Linear self) -> VersionInfo"""
7405 return _IMP_core.Linear_get_version_info(self)
7406 __swig_destroy__ = _IMP_core.delete_Linear
7409 r"""__str__(Linear self) -> std::string"""
7410 return _IMP_core.Linear___str__(self)
7413 r"""__repr__(Linear self) -> std::string"""
7414 return _IMP_core.Linear___repr__(self)
7418 return _object_cast_to_Linear(o)
7421 def _get_as_binary(self):
7422 r"""_get_as_binary(Linear self) -> PyObject *"""
7423 return _IMP_core.Linear__get_as_binary(self)
7425 def _set_from_binary(self, p):
7426 r"""_set_from_binary(Linear self, PyObject * p)"""
7427 return _IMP_core.Linear__set_from_binary(self, p)
7429 def __getstate__(self):
7430 p = self._get_as_binary()
7431 if len(self.__dict__) > 1:
7432 d = self.__dict__.copy()
7437 def __setstate__(self, p):
7438 if not hasattr(self,
'this'):
7440 if isinstance(p, tuple):
7442 self.__dict__.update(d)
7443 return self._set_from_binary(p)
7447 def score(val, slope, offset):
7448 return (val - offset) * slope
7449 return functools.partial(score, slope=self.get_slope(),
7450 offset=self.get_offset())
7454 _IMP_core.Linear_swigregister(Linear)
7455 class LogNormalMover(MonteCarloMover):
7456 r"""Proxy of C++ IMP::core::LogNormalMover class."""
7458 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7460 def __init__(self, *args):
7462 __init__(LogNormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> LogNormalMover
7463 __init__(LogNormalMover self, Model m, ParticleIndex pi, double stddev) -> LogNormalMover
7464 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> LogNormalMover
7465 __init__(LogNormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> LogNormalMover
7466 __init__(LogNormalMover self) -> LogNormalMover
7468 _IMP_core.LogNormalMover_swiginit(self, _IMP_core.new_LogNormalMover(*args))
7470 def set_sigma(self, sigma):
7471 r"""set_sigma(LogNormalMover self, IMP::Float sigma)"""
7472 return _IMP_core.LogNormalMover_set_sigma(self, sigma)
7474 def get_sigma(self):
7475 r"""get_sigma(LogNormalMover self) -> IMP::Float"""
7476 return _IMP_core.LogNormalMover_get_sigma(self)
7478 def get_version_info(self):
7479 r"""get_version_info(LogNormalMover self) -> VersionInfo"""
7480 return _IMP_core.LogNormalMover_get_version_info(self)
7481 __swig_destroy__ = _IMP_core.delete_LogNormalMover
7484 r"""__str__(LogNormalMover self) -> std::string"""
7485 return _IMP_core.LogNormalMover___str__(self)
7488 r"""__repr__(LogNormalMover self) -> std::string"""
7489 return _IMP_core.LogNormalMover___repr__(self)
7493 return _object_cast_to_LogNormalMover(o)
7496 def _get_as_binary(self):
7497 r"""_get_as_binary(LogNormalMover self) -> PyObject *"""
7498 return _IMP_core.LogNormalMover__get_as_binary(self)
7500 def _set_from_binary(self, p):
7501 r"""_set_from_binary(LogNormalMover self, PyObject * p)"""
7502 return _IMP_core.LogNormalMover__set_from_binary(self, p)
7504 def __getstate__(self):
7505 p = self._get_as_binary()
7506 if len(self.__dict__) > 1:
7507 d = self.__dict__.copy()
7512 def __setstate__(self, p):
7513 if not hasattr(self,
'this'):
7515 if isinstance(p, tuple):
7517 self.__dict__.update(d)
7518 return self._set_from_binary(p)
7522 _IMP_core.LogNormalMover_swigregister(LogNormalMover)
7523 IMP_CORE_HAS_MONTE_CARLO_MOVER = _IMP_core.IMP_CORE_HAS_MONTE_CARLO_MOVER
7526 r"""Proxy of C++ IMP::core::MonteCarlo class."""
7528 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7530 def __init__(self, m):
7531 r"""__init__(MonteCarlo self, Model m) -> MonteCarlo"""
7532 _IMP_core.MonteCarlo_swiginit(self, _IMP_core.new_MonteCarlo(m))
7534 def get_version_info(self):
7535 r"""get_version_info(MonteCarlo self) -> VersionInfo"""
7536 return _IMP_core.MonteCarlo_get_version_info(self)
7537 __swig_destroy__ = _IMP_core.delete_MonteCarlo
7539 def set_return_best(self, tf):
7540 r"""set_return_best(MonteCarlo self, bool tf)"""
7541 return _IMP_core.MonteCarlo_set_return_best(self, tf)
7543 def get_return_best(self):
7544 r"""get_return_best(MonteCarlo self) -> bool"""
7545 return _IMP_core.MonteCarlo_get_return_best(self)
7547 def set_score_moved(self, mv):
7548 r"""set_score_moved(MonteCarlo self, bool mv)"""
7549 return _IMP_core.MonteCarlo_set_score_moved(self, mv)
7551 def set_kt(self, t):
7552 r"""set_kt(MonteCarlo self, IMP::Float t)"""
7553 return _IMP_core.MonteCarlo_set_kt(self, t)
7556 r"""get_kt(MonteCarlo self) -> IMP::Float"""
7557 return _IMP_core.MonteCarlo_get_kt(self)
7559 def get_last_accepted_energy(self):
7560 r"""get_last_accepted_energy(MonteCarlo self) -> double"""
7561 return _IMP_core.MonteCarlo_get_last_accepted_energy(self)
7563 def set_last_accepted_energy(self, energy):
7564 r"""set_last_accepted_energy(MonteCarlo self, double energy)"""
7565 return _IMP_core.MonteCarlo_set_last_accepted_energy(self, energy)
7567 def get_best_accepted_energy(self):
7568 r"""get_best_accepted_energy(MonteCarlo self) -> double"""
7569 return _IMP_core.MonteCarlo_get_best_accepted_energy(self)
7571 def set_best_accepted_energy(self, energy):
7572 r"""set_best_accepted_energy(MonteCarlo self, double energy)"""
7573 return _IMP_core.MonteCarlo_set_best_accepted_energy(self, energy)
7575 def get_number_of_downward_steps(self):
7576 r"""get_number_of_downward_steps(MonteCarlo self) -> unsigned int"""
7577 return _IMP_core.MonteCarlo_get_number_of_downward_steps(self)
7579 def get_number_of_upward_steps(self):
7580 r"""get_number_of_upward_steps(MonteCarlo self) -> unsigned int"""
7581 return _IMP_core.MonteCarlo_get_number_of_upward_steps(self)
7583 def get_number_of_proposed_steps(self):
7584 r"""get_number_of_proposed_steps(MonteCarlo self) -> unsigned int"""
7585 return _IMP_core.MonteCarlo_get_number_of_proposed_steps(self)
7587 def get_number_of_accepted_steps(self):
7588 r"""get_number_of_accepted_steps(MonteCarlo self) -> unsigned int"""
7589 return _IMP_core.MonteCarlo_get_number_of_accepted_steps(self)
7591 def set_number_of_downward_steps(self, nsteps):
7592 r"""set_number_of_downward_steps(MonteCarlo self, unsigned int nsteps)"""
7593 return _IMP_core.MonteCarlo_set_number_of_downward_steps(self, nsteps)
7595 def set_number_of_upward_steps(self, nsteps):
7596 r"""set_number_of_upward_steps(MonteCarlo self, unsigned int nsteps)"""
7597 return _IMP_core.MonteCarlo_set_number_of_upward_steps(self, nsteps)
7599 def set_number_of_rejected_steps(self, nsteps):
7600 r"""set_number_of_rejected_steps(MonteCarlo self, unsigned int nsteps)"""
7601 return _IMP_core.MonteCarlo_set_number_of_rejected_steps(self, nsteps)
7603 def reset_statistics(self):
7604 r"""reset_statistics(MonteCarlo self)"""
7605 return _IMP_core.MonteCarlo_reset_statistics(self)
7607 def set_score_threshold(self, s):
7608 r"""set_score_threshold(MonteCarlo self, double s)"""
7609 return _IMP_core.MonteCarlo_set_score_threshold(self, s)
7611 def get_score_threshold(self):
7612 r"""get_score_threshold(MonteCarlo self) -> double"""
7613 return _IMP_core.MonteCarlo_get_score_threshold(self)
7615 def set_maximum_difference(self, d):
7616 r"""set_maximum_difference(MonteCarlo self, double d)"""
7617 return _IMP_core.MonteCarlo_set_maximum_difference(self, d)
7619 def get_maximum_difference(self):
7620 r"""get_maximum_difference(MonteCarlo self) -> double"""
7621 return _IMP_core.MonteCarlo_get_maximum_difference(self)
7622 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)
7623 def __set_movers(self, obj): IMP._list_util.set_varlist(self.movers, obj)
7624 def __del_movers(self): IMP._list_util.del_varlist(self.movers)
7625 movers = property(__get_movers, __set_movers, __del_movers, doc=
"List of ##ucnames")
7627 def remove_mover(self, d):
7628 r"""remove_mover(MonteCarlo self, MonteCarloMover d)"""
7629 return _IMP_core.MonteCarlo_remove_mover(self, d)
7631 def _python_index_mover(self, d, start, stop):
7632 r"""_python_index_mover(MonteCarlo self, MonteCarloMover d, unsigned int start, unsigned int stop) -> unsigned int"""
7633 return _IMP_core.MonteCarlo__python_index_mover(self, d, start, stop)
7635 def remove_movers(self, d):
7636 r"""remove_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & d)"""
7637 return _IMP_core.MonteCarlo_remove_movers(self, d)
7639 def set_movers(self, ps):
7640 r"""set_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & ps)"""
7641 return _IMP_core.MonteCarlo_set_movers(self, ps)
7643 def set_movers_order(self, objs):
7644 r"""set_movers_order(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7645 return _IMP_core.MonteCarlo_set_movers_order(self, objs)
7647 def add_mover(self, obj):
7648 r"""add_mover(MonteCarlo self, MonteCarloMover obj) -> unsigned int"""
7649 return _IMP_core.MonteCarlo_add_mover(self, obj)
7651 def add_movers(self, objs):
7652 r"""add_movers(MonteCarlo self, IMP::core::MonteCarloMovers const & objs)"""
7653 return _IMP_core.MonteCarlo_add_movers(self, objs)
7655 def clear_movers(self):
7656 r"""clear_movers(MonteCarlo self)"""
7657 return _IMP_core.MonteCarlo_clear_movers(self)
7659 def get_number_of_movers(self):
7660 r"""get_number_of_movers(MonteCarlo self) -> unsigned int"""
7661 return _IMP_core.MonteCarlo_get_number_of_movers(self)
7663 def get_has_movers(self):
7664 r"""get_has_movers(MonteCarlo self) -> bool"""
7665 return _IMP_core.MonteCarlo_get_has_movers(self)
7667 def get_mover(self, i):
7668 r"""get_mover(MonteCarlo self, unsigned int i) -> MonteCarloMover"""
7669 return _IMP_core.MonteCarlo_get_mover(self, i)
7671 def get_movers(self):
7672 r"""get_movers(MonteCarlo self) -> IMP::core::MonteCarloMovers"""
7673 return _IMP_core.MonteCarlo_get_movers(self)
7675 def erase_mover(self, i):
7676 r"""erase_mover(MonteCarlo self, unsigned int i)"""
7677 return _IMP_core.MonteCarlo_erase_mover(self, i)
7679 def reserve_movers(self, sz):
7680 r"""reserve_movers(MonteCarlo self, unsigned int sz)"""
7681 return _IMP_core.MonteCarlo_reserve_movers(self, sz)
7684 r"""__str__(MonteCarlo self) -> std::string"""
7685 return _IMP_core.MonteCarlo___str__(self)
7688 r"""__repr__(MonteCarlo self) -> std::string"""
7689 return _IMP_core.MonteCarlo___repr__(self)
7693 return _object_cast_to_MonteCarlo(o)
7697 from IMP.core._jax_util
import _MCJAXInfo
7698 return _MCJAXInfo(self)
7700 def _optimize_jax(self, max_steps):
7701 import IMP.core._jax_util
7702 return IMP.core._jax_util._mc_optimize(self, max_steps)
7706 _IMP_core.MonteCarlo_swigregister(MonteCarlo)
7707 class MonteCarloWithLocalOptimization(MonteCarlo):
7708 r"""Proxy of C++ IMP::core::MonteCarloWithLocalOptimization class."""
7710 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7712 def __init__(self, opt, steps):
7713 r"""__init__(MonteCarloWithLocalOptimization self, Optimizer opt, unsigned int steps) -> MonteCarloWithLocalOptimization"""
7714 _IMP_core.MonteCarloWithLocalOptimization_swiginit(self, _IMP_core.new_MonteCarloWithLocalOptimization(opt, steps))
7716 def get_number_of_steps(self):
7717 r"""get_number_of_steps(MonteCarloWithLocalOptimization self) -> unsigned int"""
7718 return _IMP_core.MonteCarloWithLocalOptimization_get_number_of_steps(self)
7720 def get_local_optimizer(self):
7721 r"""get_local_optimizer(MonteCarloWithLocalOptimization self) -> Optimizer"""
7722 return _IMP_core.MonteCarloWithLocalOptimization_get_local_optimizer(self)
7723 __swig_destroy__ = _IMP_core.delete_MonteCarloWithLocalOptimization
7726 r"""__str__(MonteCarloWithLocalOptimization self) -> std::string"""
7727 return _IMP_core.MonteCarloWithLocalOptimization___str__(self)
7730 r"""__repr__(MonteCarloWithLocalOptimization self) -> std::string"""
7731 return _IMP_core.MonteCarloWithLocalOptimization___repr__(self)
7735 return _object_cast_to_MonteCarloWithLocalOptimization(o)
7739 _IMP_core.MonteCarloWithLocalOptimization_swigregister(MonteCarloWithLocalOptimization)
7740 class MonteCarloWithBasinHopping(MonteCarloWithLocalOptimization):
7741 r"""Proxy of C++ IMP::core::MonteCarloWithBasinHopping class."""
7743 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7745 def __init__(self, opt, ns):
7746 r"""__init__(MonteCarloWithBasinHopping self, Optimizer opt, unsigned int ns) -> MonteCarloWithBasinHopping"""
7747 _IMP_core.MonteCarloWithBasinHopping_swiginit(self, _IMP_core.new_MonteCarloWithBasinHopping(opt, ns))
7748 __swig_destroy__ = _IMP_core.delete_MonteCarloWithBasinHopping
7751 r"""__str__(MonteCarloWithBasinHopping self) -> std::string"""
7752 return _IMP_core.MonteCarloWithBasinHopping___str__(self)
7755 r"""__repr__(MonteCarloWithBasinHopping self) -> std::string"""
7756 return _IMP_core.MonteCarloWithBasinHopping___repr__(self)
7760 return _object_cast_to_MonteCarloWithBasinHopping(o)
7764 _IMP_core.MonteCarloWithBasinHopping_swigregister(MonteCarloWithBasinHopping)
7766 r"""Proxy of C++ IMP::core::NeighborsTable class."""
7768 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7770 def __init__(self, *args):
7771 r"""__init__(NeighborsTable self, PairContainer input, std::string name="CloseNeighborsTable%1%") -> NeighborsTable"""
7772 _IMP_core.NeighborsTable_swiginit(self, _IMP_core.new_NeighborsTable(*args))
7774 def get_neighbors(self, pi):
7775 r"""get_neighbors(NeighborsTable self, ParticleIndex pi) -> IMP::ParticleIndexes const &"""
7776 return _IMP_core.NeighborsTable_get_neighbors(self, pi)
7778 def get_version_info(self):
7779 r"""get_version_info(NeighborsTable self) -> VersionInfo"""
7780 return _IMP_core.NeighborsTable_get_version_info(self)
7781 __swig_destroy__ = _IMP_core.delete_NeighborsTable
7784 r"""__str__(NeighborsTable self) -> std::string"""
7785 return _IMP_core.NeighborsTable___str__(self)
7788 r"""__repr__(NeighborsTable self) -> std::string"""
7789 return _IMP_core.NeighborsTable___repr__(self)
7793 return _object_cast_to_NeighborsTable(o)
7797 _IMP_core.NeighborsTable_swigregister(NeighborsTable)
7798 class NormalMover(MonteCarloMover):
7799 r"""Proxy of C++ IMP::core::NormalMover class."""
7801 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7803 def __init__(self, *args):
7805 __init__(NormalMover self, Model m, ParticleIndex pi, IMP::FloatKeys const & vars, double stddev) -> NormalMover
7806 __init__(NormalMover self, Model m, ParticleIndex pi, double stddev) -> NormalMover
7807 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::FloatKeys const & vars, IMP::Float sigma) -> NormalMover
7808 __init__(NormalMover self, IMP::ParticlesTemp const & sc, IMP::Float radius) -> NormalMover
7809 __init__(NormalMover self) -> NormalMover
7811 _IMP_core.NormalMover_swiginit(self, _IMP_core.new_NormalMover(*args))
7813 def set_sigma(self, sigma):
7814 r"""set_sigma(NormalMover self, IMP::Float sigma)"""
7815 return _IMP_core.NormalMover_set_sigma(self, sigma)
7817 def get_sigma(self):
7818 r"""get_sigma(NormalMover self) -> IMP::Float"""
7819 return _IMP_core.NormalMover_get_sigma(self)
7821 def get_version_info(self):
7822 r"""get_version_info(NormalMover self) -> VersionInfo"""
7823 return _IMP_core.NormalMover_get_version_info(self)
7824 __swig_destroy__ = _IMP_core.delete_NormalMover
7827 r"""__str__(NormalMover self) -> std::string"""
7828 return _IMP_core.NormalMover___str__(self)
7831 r"""__repr__(NormalMover self) -> std::string"""
7832 return _IMP_core.NormalMover___repr__(self)
7836 return _object_cast_to_NormalMover(o)
7839 def _get_as_binary(self):
7840 r"""_get_as_binary(NormalMover self) -> PyObject *"""
7841 return _IMP_core.NormalMover__get_as_binary(self)
7843 def _set_from_binary(self, p):
7844 r"""_set_from_binary(NormalMover self, PyObject * p)"""
7845 return _IMP_core.NormalMover__set_from_binary(self, p)
7847 def __getstate__(self):
7848 p = self._get_as_binary()
7849 if len(self.__dict__) > 1:
7850 d = self.__dict__.copy()
7855 def __setstate__(self, p):
7856 if not hasattr(self,
'this'):
7858 if isinstance(p, tuple):
7860 self.__dict__.update(d)
7861 return self._set_from_binary(p)
7865 _IMP_core.NormalMover_swigregister(NormalMover)
7866 class OpenCubicSpline(_OpenCubicSplineBase):
7867 r"""Proxy of C++ IMP::core::OpenCubicSpline class."""
7869 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7871 def __init__(self, values, minrange, spacing, extend=False):
7872 r"""__init__(OpenCubicSpline self, IMP::Floats const & values, IMP::Float minrange, IMP::Float spacing, bool extend=False) -> OpenCubicSpline"""
7873 _IMP_core.OpenCubicSpline_swiginit(self, _IMP_core.new_OpenCubicSpline(values, minrange, spacing, extend))
7875 def get_minrange(self):
7876 r"""get_minrange(OpenCubicSpline self) -> IMP::Float"""
7877 return _IMP_core.OpenCubicSpline_get_minrange(self)
7879 def get_spacing(self):
7880 r"""get_spacing(OpenCubicSpline self) -> IMP::Float"""
7881 return _IMP_core.OpenCubicSpline_get_spacing(self)
7883 def get_values(self):
7884 r"""get_values(OpenCubicSpline self) -> IMP::Floats"""
7885 return _IMP_core.OpenCubicSpline_get_values(self)
7887 def get_extend(self):
7888 r"""get_extend(OpenCubicSpline self) -> bool"""
7889 return _IMP_core.OpenCubicSpline_get_extend(self)
7891 def get_second_derivatives(self):
7892 r"""get_second_derivatives(OpenCubicSpline self) -> IMP::Floats"""
7893 return _IMP_core.OpenCubicSpline_get_second_derivatives(self)
7896 r"""__str__(OpenCubicSpline self) -> std::string"""
7897 return _IMP_core.OpenCubicSpline___str__(self)
7900 r"""__repr__(OpenCubicSpline self) -> std::string"""
7901 return _IMP_core.OpenCubicSpline___repr__(self)
7905 return _object_cast_to_OpenCubicSpline(o)
7909 import jax.numpy
as jnp
7910 from IMP.core._jax_util
import _spline
7911 def score(feature, minrange, maxrange, spacing, values, second_derivs):
7913 feature = jnp.clip(feature, minrange, maxrange)
7915 lowbin = jnp.array((feature - minrange) / spacing, dtype=int)
7916 return _spline(feature, minrange, lowbin, lowbin + 1, spacing,
7917 values, second_derivs)
7918 spacing = self.get_spacing()
7919 minrange = self.get_minrange()
7920 values = jnp.asarray(self.get_values())
7921 maxrange = minrange + spacing * (len(values) - 1)
7922 return functools.partial(
7923 score, minrange=minrange, maxrange=maxrange,
7924 spacing=spacing, values=values,
7925 second_derivs=jnp.asarray(self.get_second_derivatives()))
7927 __swig_destroy__ = _IMP_core.delete_OpenCubicSpline
7930 _IMP_core.OpenCubicSpline_swigregister(OpenCubicSpline)
7931 class QuadraticClosePairsFinder(ClosePairsFinder):
7932 r"""Proxy of C++ IMP::core::QuadraticClosePairsFinder class."""
7934 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7937 r"""__init__(QuadraticClosePairsFinder self) -> QuadraticClosePairsFinder"""
7938 _IMP_core.QuadraticClosePairsFinder_swiginit(self, _IMP_core.new_QuadraticClosePairsFinder())
7940 def get_are_close_and_filtered(self, *args):
7942 get_are_close_and_filtered(QuadraticClosePairsFinder self, Particle a, Particle b) -> bool
7943 get_are_close_and_filtered(QuadraticClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b) -> bool
7945 return _IMP_core.QuadraticClosePairsFinder_get_are_close_and_filtered(self, *args)
7947 def get_close_pairs(self, *args):
7949 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
7950 get_close_pairs(QuadraticClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
7951 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
7952 get_close_pairs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
7954 return _IMP_core.QuadraticClosePairsFinder_get_close_pairs(self, *args)
7956 def do_get_inputs(self, m, pis):
7957 r"""do_get_inputs(QuadraticClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7958 return _IMP_core.QuadraticClosePairsFinder_do_get_inputs(self, m, pis)
7960 def get_version_info(self):
7961 r"""get_version_info(QuadraticClosePairsFinder self) -> VersionInfo"""
7962 return _IMP_core.QuadraticClosePairsFinder_get_version_info(self)
7963 __swig_destroy__ = _IMP_core.delete_QuadraticClosePairsFinder
7966 r"""__str__(QuadraticClosePairsFinder self) -> std::string"""
7967 return _IMP_core.QuadraticClosePairsFinder___str__(self)
7970 r"""__repr__(QuadraticClosePairsFinder self) -> std::string"""
7971 return _IMP_core.QuadraticClosePairsFinder___repr__(self)
7975 return _object_cast_to_QuadraticClosePairsFinder(o)
7979 _IMP_core.QuadraticClosePairsFinder_swigregister(QuadraticClosePairsFinder)
7981 r"""Proxy of C++ IMP::core::RefinedPairsPairScore class."""
7983 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
7985 def __init__(self, r, f):
7986 r"""__init__(RefinedPairsPairScore self, Refiner r, PairScore f) -> RefinedPairsPairScore"""
7987 _IMP_core.RefinedPairsPairScore_swiginit(self, _IMP_core.new_RefinedPairsPairScore(r, f))
7989 def do_get_inputs(self, m, pis):
7990 r"""do_get_inputs(RefinedPairsPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7991 return _IMP_core.RefinedPairsPairScore_do_get_inputs(self, m, pis)
7993 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
7994 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"""
7995 return _IMP_core.RefinedPairsPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
7997 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
7998 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"""
7999 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
8001 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
8002 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"""
8003 return _IMP_core.RefinedPairsPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
8005 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
8006 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"""
8007 return _IMP_core.RefinedPairsPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
8009 def get_version_info(self):
8010 r"""get_version_info(RefinedPairsPairScore self) -> VersionInfo"""
8011 return _IMP_core.RefinedPairsPairScore_get_version_info(self)
8012 __swig_destroy__ = _IMP_core.delete_RefinedPairsPairScore
8015 r"""__str__(RefinedPairsPairScore self) -> std::string"""
8016 return _IMP_core.RefinedPairsPairScore___str__(self)
8019 r"""__repr__(RefinedPairsPairScore self) -> std::string"""
8020 return _IMP_core.RefinedPairsPairScore___repr__(self)
8024 return _object_cast_to_RefinedPairsPairScore(o)
8028 _IMP_core.RefinedPairsPairScore_swigregister(RefinedPairsPairScore)
8029 class RigidBody(XYZ):
8030 r"""Proxy of C++ IMP::core::RigidBody class."""
8032 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8034 def get_rigid_members(self):
8035 r"""get_rigid_members(RigidBody self) -> IMP::core::RigidMembers"""
8036 return _IMP_core.RigidBody_get_rigid_members(self)
8039 def get_rotation_keys():
8040 r"""get_rotation_keys() -> IMP::FloatKeys"""
8041 return _IMP_core.RigidBody_get_rotation_keys()
8043 def get_member_particle_indexes(self):
8044 r"""get_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
8045 return _IMP_core.RigidBody_get_member_particle_indexes(self)
8047 def get_body_member_particle_indexes(self):
8048 r"""get_body_member_particle_indexes(RigidBody self) -> IMP::ParticleIndexes const &"""
8049 return _IMP_core.RigidBody_get_body_member_particle_indexes(self)
8051 def get_member_indexes(self):
8052 r"""get_member_indexes(RigidBody self) -> IMP::ParticleIndexes"""
8053 return _IMP_core.RigidBody_get_member_indexes(self)
8055 def show(self, *args):
8056 r"""show(RigidBody self, _ostream out=std::cout)"""
8057 return _IMP_core.RigidBody_show(self, *args)
8060 def setup_particle(*args):
8062 setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor ps) -> RigidBody
8063 setup_particle(_ParticleAdaptor pa, _ParticleIndexesAdaptor ps) -> RigidBody
8064 setup_particle(Model m, ParticleIndex pi, ReferenceFrame3D rf) -> RigidBody
8065 setup_particle(_ParticleAdaptor pa, ReferenceFrame3D rf) -> RigidBody
8067 return _IMP_core.RigidBody_setup_particle(*args)
8070 def teardown_particle(rb):
8071 r"""teardown_particle(RigidBody rb)"""
8072 return _IMP_core.RigidBody_teardown_particle(rb)
8074 def __init__(self, *args):
8076 __init__(RigidBody self) -> RigidBody
8077 __init__(RigidBody self, Model m, ParticleIndex id) -> RigidBody
8078 __init__(RigidBody self, _ParticleAdaptor d) -> RigidBody
8079 __init__(RigidBody self, RigidBody arg2) -> RigidBody
8081 _IMP_core.RigidBody_swiginit(self, _IMP_core.new_RigidBody(*args))
8082 __swig_destroy__ = _IMP_core.delete_RigidBody
8085 def get_is_setup(*args):
8087 get_is_setup(_ParticleAdaptor p) -> bool
8088 get_is_setup(Model m, ParticleIndex pi) -> bool
8090 return _IMP_core.RigidBody_get_is_setup(*args)
8092 def get_coordinates(self):
8093 r"""get_coordinates(RigidBody self) -> Vector3D"""
8094 return _IMP_core.RigidBody_get_coordinates(self)
8096 def get_rotation(self):
8097 r"""get_rotation(RigidBody self) -> Rotation3D"""
8098 return _IMP_core.RigidBody_get_rotation(self)
8100 def get_reference_frame(self):
8101 r"""get_reference_frame(RigidBody self) -> ReferenceFrame3D"""
8102 return _IMP_core.RigidBody_get_reference_frame(self)
8104 def set_reference_frame(self, tr):
8105 r"""set_reference_frame(RigidBody self, ReferenceFrame3D tr)"""
8106 return _IMP_core.RigidBody_set_reference_frame(self, tr)
8108 def set_reference_frame_lazy(self, tr):
8109 r"""set_reference_frame_lazy(RigidBody self, ReferenceFrame3D tr)"""
8110 return _IMP_core.RigidBody_set_reference_frame_lazy(self, tr)
8112 def set_reference_frame_from_members(self, members):
8113 r"""set_reference_frame_from_members(RigidBody self, IMP::ParticleIndexes const & members)"""
8114 return _IMP_core.RigidBody_set_reference_frame_from_members(self, members)
8116 def pull_back_members_adjoints(self, da):
8117 r"""pull_back_members_adjoints(RigidBody self, DerivativeAccumulator da)"""
8118 return _IMP_core.RigidBody_pull_back_members_adjoints(self, da)
8120 def pull_back_member_adjoints(self, pi, da):
8121 r"""pull_back_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8122 return _IMP_core.RigidBody_pull_back_member_adjoints(self, pi, da)
8124 def pull_back_body_member_adjoints(self, pi, da):
8125 r"""pull_back_body_member_adjoints(RigidBody self, ParticleIndex pi, DerivativeAccumulator da)"""
8126 return _IMP_core.RigidBody_pull_back_body_member_adjoints(self, pi, da)
8128 def add_to_derivatives(self, *args):
8130 add_to_derivatives(RigidBody self, Vector3D local_derivative, Vector3D local_location, DerivativeAccumulator da)
8131 add_to_derivatives(RigidBody self, Vector3D local_derivative, Vector3D global_derivative, Vector3D local_location, Rotation3D rot_local_to_global, DerivativeAccumulator da)
8133 return _IMP_core.RigidBody_add_to_derivatives(self, *args)
8135 def add_to_rotational_derivatives(self, *args):
8137 add_to_rotational_derivatives(RigidBody self, Vector4D other_qderiv, Rotation3D rot_other_to_local, Rotation3D rot_local_to_global, DerivativeAccumulator da)
8138 add_to_rotational_derivatives(RigidBody self, Vector4D qderiv, DerivativeAccumulator da)
8140 return _IMP_core.RigidBody_add_to_rotational_derivatives(self, *args)
8142 def add_to_torque(self, torque_local, da):
8143 r"""add_to_torque(RigidBody self, Vector3D torque_local, DerivativeAccumulator da)"""
8144 return _IMP_core.RigidBody_add_to_torque(self, torque_local, da)
8146 def get_torque(self):
8147 r"""get_torque(RigidBody self) -> Vector3D"""
8148 return _IMP_core.RigidBody_get_torque(self)
8150 def get_coordinates_are_optimized(self):
8151 r"""get_coordinates_are_optimized(RigidBody self) -> bool"""
8152 return _IMP_core.RigidBody_get_coordinates_are_optimized(self)
8154 def set_coordinates_are_optimized(self, tf):
8155 r"""set_coordinates_are_optimized(RigidBody self, bool tf)"""
8156 return _IMP_core.RigidBody_set_coordinates_are_optimized(self, tf)
8158 def normalize_rotation(self):
8159 r"""normalize_rotation(RigidBody self)"""
8160 return _IMP_core.RigidBody_normalize_rotation(self)
8162 def update_members(self):
8163 r"""update_members(RigidBody self)"""
8164 return _IMP_core.RigidBody_update_members(self)
8166 def get_rotational_derivatives(self):
8167 r"""get_rotational_derivatives(RigidBody self) -> Vector4D"""
8168 return _IMP_core.RigidBody_get_rotational_derivatives(self)
8170 def get_number_of_members(self):
8171 r"""get_number_of_members(RigidBody self) -> unsigned int"""
8172 return _IMP_core.RigidBody_get_number_of_members(self)
8174 def get_member(self, i):
8175 r"""get_member(RigidBody self, unsigned int i) -> RigidBodyMember"""
8176 return _IMP_core.RigidBody_get_member(self, i)
8178 def add_member(self, p):
8179 r"""add_member(RigidBody self, _ParticleIndexAdaptor p)"""
8180 return _IMP_core.RigidBody_add_member(self, p)
8182 def add_non_rigid_member(self, p):
8183 r"""add_non_rigid_member(RigidBody self, _ParticleIndexAdaptor p)"""
8184 return _IMP_core.RigidBody_add_non_rigid_member(self, p)
8186 def set_is_rigid_member(self, pi, tf):
8187 r"""set_is_rigid_member(RigidBody self, ParticleIndex pi, bool tf)"""
8188 return _IMP_core.RigidBody_set_is_rigid_member(self, pi, tf)
8190 def remove_member(self, p):
8191 r"""remove_member(RigidBody self, _ParticleIndexAdaptor p)"""
8192 return _IMP_core.RigidBody_remove_member(self, p)
8194 def add_attribute(self, *args):
8196 add_attribute(RigidBody self, FloatKey k, IMP::Float v, bool opt)
8197 add_attribute(RigidBody self, FloatKey a0, IMP::Float a1)
8198 add_attribute(RigidBody self, IntKey a0, IMP::Int a1)
8199 add_attribute(RigidBody self, FloatsKey a0, IMP::Floats a1)
8200 add_attribute(RigidBody self, IntsKey a0, IMP::Ints a1)
8201 add_attribute(RigidBody self, StringKey a0, IMP::String a1)
8202 add_attribute(RigidBody self, ParticleIndexKey a0, Particle a1)
8203 add_attribute(RigidBody self, ObjectKey a0, Object a1)
8204 add_attribute(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8205 add_attribute(RigidBody self, SparseIntKey a0, IMP::Int a1)
8206 add_attribute(RigidBody self, SparseStringKey a0, IMP::String a1)
8207 add_attribute(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8209 return _IMP_core.RigidBody_add_attribute(self, *args)
8211 def get_value(self, *args):
8213 get_value(RigidBody self, FloatKey a0) -> IMP::Float
8214 get_value(RigidBody self, IntKey a0) -> IMP::Int
8215 get_value(RigidBody self, FloatsKey a0) -> IMP::Floats
8216 get_value(RigidBody self, IntsKey a0) -> IMP::Ints
8217 get_value(RigidBody self, StringKey a0) -> IMP::String
8218 get_value(RigidBody self, ParticleIndexKey a0) -> Particle
8219 get_value(RigidBody self, ObjectKey a0) -> Object
8220 get_value(RigidBody self, SparseFloatKey a0) -> IMP::Float
8221 get_value(RigidBody self, SparseIntKey a0) -> IMP::Int
8222 get_value(RigidBody self, SparseStringKey a0) -> IMP::String
8223 get_value(RigidBody self, SparseParticleIndexKey a0) -> ParticleIndex
8225 return _IMP_core.RigidBody_get_value(self, *args)
8227 def set_value(self, *args):
8229 set_value(RigidBody self, FloatKey a0, IMP::Float a1)
8230 set_value(RigidBody self, IntKey a0, IMP::Int a1)
8231 set_value(RigidBody self, FloatsKey a0, IMP::Floats a1)
8232 set_value(RigidBody self, IntsKey a0, IMP::Ints a1)
8233 set_value(RigidBody self, StringKey a0, IMP::String a1)
8234 set_value(RigidBody self, ParticleIndexKey a0, Particle a1)
8235 set_value(RigidBody self, ObjectKey a0, Object a1)
8236 set_value(RigidBody self, SparseFloatKey a0, IMP::Float a1)
8237 set_value(RigidBody self, SparseIntKey a0, IMP::Int a1)
8238 set_value(RigidBody self, SparseStringKey a0, IMP::String a1)
8239 set_value(RigidBody self, SparseParticleIndexKey a0, ParticleIndex a1)
8241 return _IMP_core.RigidBody_set_value(self, *args)
8243 def remove_attribute(self, *args):
8245 remove_attribute(RigidBody self, FloatKey a0)
8246 remove_attribute(RigidBody self, IntKey a0)
8247 remove_attribute(RigidBody self, FloatsKey a0)
8248 remove_attribute(RigidBody self, IntsKey a0)
8249 remove_attribute(RigidBody self, StringKey a0)
8250 remove_attribute(RigidBody self, ParticleIndexKey a0)
8251 remove_attribute(RigidBody self, ObjectKey a0)
8252 remove_attribute(RigidBody self, SparseFloatKey a0)
8253 remove_attribute(RigidBody self, SparseIntKey a0)
8254 remove_attribute(RigidBody self, SparseStringKey a0)
8255 remove_attribute(RigidBody self, SparseParticleIndexKey a0)
8257 return _IMP_core.RigidBody_remove_attribute(self, *args)
8259 def has_attribute(self, *args):
8261 has_attribute(RigidBody self, FloatKey a0) -> bool
8262 has_attribute(RigidBody self, IntKey a0) -> bool
8263 has_attribute(RigidBody self, FloatsKey a0) -> bool
8264 has_attribute(RigidBody self, IntsKey a0) -> bool
8265 has_attribute(RigidBody self, StringKey a0) -> bool
8266 has_attribute(RigidBody self, ParticleIndexKey a0) -> bool
8267 has_attribute(RigidBody self, ObjectKey a0) -> bool
8268 has_attribute(RigidBody self, SparseFloatKey a0) -> bool
8269 has_attribute(RigidBody self, SparseIntKey a0) -> bool
8270 has_attribute(RigidBody self, SparseStringKey a0) -> bool
8271 has_attribute(RigidBody self, SparseParticleIndexKey a0) -> bool
8273 return _IMP_core.RigidBody_has_attribute(self, *args)
8275 def get_derivative(self, a0):
8276 r"""get_derivative(RigidBody self, FloatKey a0) -> double"""
8277 return _IMP_core.RigidBody_get_derivative(self, a0)
8280 r"""get_name(RigidBody self) -> std::string"""
8281 return _IMP_core.RigidBody_get_name(self)
8283 def clear_caches(self):
8284 r"""clear_caches(RigidBody self)"""
8285 return _IMP_core.RigidBody_clear_caches(self)
8287 def set_name(self, a0):
8288 r"""set_name(RigidBody self, std::string a0)"""
8289 return _IMP_core.RigidBody_set_name(self, a0)
8292 r"""set_check_level(RigidBody self, IMP::CheckLevel a0)"""
8293 return _IMP_core.RigidBody_set_check_level(self, a0)
8295 def add_to_derivative(self, a0, a1, a2):
8296 r"""add_to_derivative(RigidBody self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8297 return _IMP_core.RigidBody_add_to_derivative(self, a0, a1, a2)
8299 def set_is_optimized(self, a0, a1):
8300 r"""set_is_optimized(RigidBody self, FloatKey a0, bool a1)"""
8301 return _IMP_core.RigidBody_set_is_optimized(self, a0, a1)
8303 def get_is_optimized(self, a0):
8304 r"""get_is_optimized(RigidBody self, FloatKey a0) -> bool"""
8305 return _IMP_core.RigidBody_get_is_optimized(self, a0)
8308 r"""get_check_level(RigidBody self) -> IMP::CheckLevel"""
8309 return _IMP_core.RigidBody_get_check_level(self)
8311 def __eq__(self, *args):
8313 __eq__(RigidBody self, RigidBody o) -> bool
8314 __eq__(RigidBody self, Particle d) -> bool
8316 return _IMP_core.RigidBody___eq__(self, *args)
8318 def __ne__(self, *args):
8320 __ne__(RigidBody self, RigidBody o) -> bool
8321 __ne__(RigidBody self, Particle d) -> bool
8323 return _IMP_core.RigidBody___ne__(self, *args)
8325 def __le__(self, *args):
8327 __le__(RigidBody self, RigidBody o) -> bool
8328 __le__(RigidBody self, Particle d) -> bool
8330 return _IMP_core.RigidBody___le__(self, *args)
8332 def __lt__(self, *args):
8334 __lt__(RigidBody self, RigidBody o) -> bool
8335 __lt__(RigidBody self, Particle d) -> bool
8337 return _IMP_core.RigidBody___lt__(self, *args)
8339 def __ge__(self, *args):
8341 __ge__(RigidBody self, RigidBody o) -> bool
8342 __ge__(RigidBody self, Particle d) -> bool
8344 return _IMP_core.RigidBody___ge__(self, *args)
8346 def __gt__(self, *args):
8348 __gt__(RigidBody self, RigidBody o) -> bool
8349 __gt__(RigidBody self, Particle d) -> bool
8351 return _IMP_core.RigidBody___gt__(self, *args)
8354 r"""__hash__(RigidBody self) -> std::size_t"""
8355 return _IMP_core.RigidBody___hash__(self)
8358 r"""__str__(RigidBody self) -> std::string"""
8359 return _IMP_core.RigidBody___str__(self)
8362 r"""__repr__(RigidBody self) -> std::string"""
8363 return _IMP_core.RigidBody___repr__(self)
8365 def _get_as_binary(self):
8366 r"""_get_as_binary(RigidBody self) -> PyObject *"""
8367 return _IMP_core.RigidBody__get_as_binary(self)
8369 def _set_from_binary(self, p):
8370 r"""_set_from_binary(RigidBody self, PyObject * p)"""
8371 return _IMP_core.RigidBody__set_from_binary(self, p)
8373 def __getstate__(self):
8374 p = self._get_as_binary()
8375 if len(self.__dict__) > 1:
8376 d = self.__dict__.copy()
8381 def __setstate__(self, p):
8382 if not hasattr(self,
'this'):
8384 if isinstance(p, tuple):
8386 self.__dict__.update(d)
8387 return self._set_from_binary(p)
8391 _IMP_core.RigidBody_swigregister(RigidBody)
8394 r"""add_rigid_body_cache_key(ObjectKey k)"""
8395 return _IMP_core.add_rigid_body_cache_key(k)
8396 class RigidBodyMember(XYZ):
8397 r"""Proxy of C++ IMP::core::RigidBodyMember class."""
8399 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8401 def show(self, *args):
8402 r"""show(RigidBodyMember self, _ostream out=std::cout)"""
8403 return _IMP_core.RigidBodyMember_show(self, *args)
8405 def get_rigid_body(self):
8406 r"""get_rigid_body(RigidBodyMember self) -> RigidBody"""
8407 return _IMP_core.RigidBodyMember_get_rigid_body(self)
8409 def get_internal_coordinates(self):
8410 r"""get_internal_coordinates(RigidBodyMember self) -> Vector3D"""
8411 return _IMP_core.RigidBodyMember_get_internal_coordinates(self)
8413 def set_internal_coordinates(self, v):
8414 r"""set_internal_coordinates(RigidBodyMember self, Vector3D v)"""
8415 return _IMP_core.RigidBodyMember_set_internal_coordinates(self, v)
8417 def set_internal_transformation(self, v):
8418 r"""set_internal_transformation(RigidBodyMember self, Transformation3D v)"""
8419 return _IMP_core.RigidBodyMember_set_internal_transformation(self, v)
8421 def get_internal_transformation(self):
8422 r"""get_internal_transformation(RigidBodyMember self) -> Transformation3D"""
8423 return _IMP_core.RigidBodyMember_get_internal_transformation(self)
8424 __swig_destroy__ = _IMP_core.delete_RigidBodyMember
8426 def set_coordinates(self, *args):
8428 set_coordinates(RigidBodyMember self, Vector3D center)
8429 set_coordinates(RigidBodyMember self, Transformation3D tr)
8431 return _IMP_core.RigidBodyMember_set_coordinates(self, *args)
8433 def __init__(self, *args):
8435 __init__(RigidBodyMember self) -> RigidBodyMember
8436 __init__(RigidBodyMember self, Model m, ParticleIndex id) -> RigidBodyMember
8437 __init__(RigidBodyMember self, _ParticleAdaptor d) -> RigidBodyMember
8438 __init__(RigidBodyMember self, RigidBodyMember arg2) -> RigidBodyMember
8440 _IMP_core.RigidBodyMember_swiginit(self, _IMP_core.new_RigidBodyMember(*args))
8443 def get_is_setup(*args):
8445 get_is_setup(_ParticleAdaptor p) -> bool
8446 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
8448 return _IMP_core.RigidBodyMember_get_is_setup(*args)
8451 def get_internal_coordinate_keys():
8452 r"""get_internal_coordinate_keys() -> IMP::FloatKeys"""
8453 return _IMP_core.RigidBodyMember_get_internal_coordinate_keys()
8456 def get_internal_rotation_keys():
8457 r"""get_internal_rotation_keys() -> IMP::FloatKeys"""
8458 return _IMP_core.RigidBodyMember_get_internal_rotation_keys()
8460 def add_attribute(self, *args):
8462 add_attribute(RigidBodyMember self, FloatKey k, IMP::Float v, bool opt)
8463 add_attribute(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8464 add_attribute(RigidBodyMember self, IntKey a0, IMP::Int a1)
8465 add_attribute(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8466 add_attribute(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8467 add_attribute(RigidBodyMember self, StringKey a0, IMP::String a1)
8468 add_attribute(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8469 add_attribute(RigidBodyMember self, ObjectKey a0, Object a1)
8470 add_attribute(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8471 add_attribute(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8472 add_attribute(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8473 add_attribute(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8475 return _IMP_core.RigidBodyMember_add_attribute(self, *args)
8477 def get_value(self, *args):
8479 get_value(RigidBodyMember self, FloatKey a0) -> IMP::Float
8480 get_value(RigidBodyMember self, IntKey a0) -> IMP::Int
8481 get_value(RigidBodyMember self, FloatsKey a0) -> IMP::Floats
8482 get_value(RigidBodyMember self, IntsKey a0) -> IMP::Ints
8483 get_value(RigidBodyMember self, StringKey a0) -> IMP::String
8484 get_value(RigidBodyMember self, ParticleIndexKey a0) -> Particle
8485 get_value(RigidBodyMember self, ObjectKey a0) -> Object
8486 get_value(RigidBodyMember self, SparseFloatKey a0) -> IMP::Float
8487 get_value(RigidBodyMember self, SparseIntKey a0) -> IMP::Int
8488 get_value(RigidBodyMember self, SparseStringKey a0) -> IMP::String
8489 get_value(RigidBodyMember self, SparseParticleIndexKey a0) -> ParticleIndex
8491 return _IMP_core.RigidBodyMember_get_value(self, *args)
8493 def set_value(self, *args):
8495 set_value(RigidBodyMember self, FloatKey a0, IMP::Float a1)
8496 set_value(RigidBodyMember self, IntKey a0, IMP::Int a1)
8497 set_value(RigidBodyMember self, FloatsKey a0, IMP::Floats a1)
8498 set_value(RigidBodyMember self, IntsKey a0, IMP::Ints a1)
8499 set_value(RigidBodyMember self, StringKey a0, IMP::String a1)
8500 set_value(RigidBodyMember self, ParticleIndexKey a0, Particle a1)
8501 set_value(RigidBodyMember self, ObjectKey a0, Object a1)
8502 set_value(RigidBodyMember self, SparseFloatKey a0, IMP::Float a1)
8503 set_value(RigidBodyMember self, SparseIntKey a0, IMP::Int a1)
8504 set_value(RigidBodyMember self, SparseStringKey a0, IMP::String a1)
8505 set_value(RigidBodyMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8507 return _IMP_core.RigidBodyMember_set_value(self, *args)
8509 def remove_attribute(self, *args):
8511 remove_attribute(RigidBodyMember self, FloatKey a0)
8512 remove_attribute(RigidBodyMember self, IntKey a0)
8513 remove_attribute(RigidBodyMember self, FloatsKey a0)
8514 remove_attribute(RigidBodyMember self, IntsKey a0)
8515 remove_attribute(RigidBodyMember self, StringKey a0)
8516 remove_attribute(RigidBodyMember self, ParticleIndexKey a0)
8517 remove_attribute(RigidBodyMember self, ObjectKey a0)
8518 remove_attribute(RigidBodyMember self, SparseFloatKey a0)
8519 remove_attribute(RigidBodyMember self, SparseIntKey a0)
8520 remove_attribute(RigidBodyMember self, SparseStringKey a0)
8521 remove_attribute(RigidBodyMember self, SparseParticleIndexKey a0)
8523 return _IMP_core.RigidBodyMember_remove_attribute(self, *args)
8525 def has_attribute(self, *args):
8527 has_attribute(RigidBodyMember self, FloatKey a0) -> bool
8528 has_attribute(RigidBodyMember self, IntKey a0) -> bool
8529 has_attribute(RigidBodyMember self, FloatsKey a0) -> bool
8530 has_attribute(RigidBodyMember self, IntsKey a0) -> bool
8531 has_attribute(RigidBodyMember self, StringKey a0) -> bool
8532 has_attribute(RigidBodyMember self, ParticleIndexKey a0) -> bool
8533 has_attribute(RigidBodyMember self, ObjectKey a0) -> bool
8534 has_attribute(RigidBodyMember self, SparseFloatKey a0) -> bool
8535 has_attribute(RigidBodyMember self, SparseIntKey a0) -> bool
8536 has_attribute(RigidBodyMember self, SparseStringKey a0) -> bool
8537 has_attribute(RigidBodyMember self, SparseParticleIndexKey a0) -> bool
8539 return _IMP_core.RigidBodyMember_has_attribute(self, *args)
8541 def get_derivative(self, a0):
8542 r"""get_derivative(RigidBodyMember self, FloatKey a0) -> double"""
8543 return _IMP_core.RigidBodyMember_get_derivative(self, a0)
8546 r"""get_name(RigidBodyMember self) -> std::string"""
8547 return _IMP_core.RigidBodyMember_get_name(self)
8549 def clear_caches(self):
8550 r"""clear_caches(RigidBodyMember self)"""
8551 return _IMP_core.RigidBodyMember_clear_caches(self)
8553 def set_name(self, a0):
8554 r"""set_name(RigidBodyMember self, std::string a0)"""
8555 return _IMP_core.RigidBodyMember_set_name(self, a0)
8558 r"""set_check_level(RigidBodyMember self, IMP::CheckLevel a0)"""
8559 return _IMP_core.RigidBodyMember_set_check_level(self, a0)
8561 def add_to_derivative(self, a0, a1, a2):
8562 r"""add_to_derivative(RigidBodyMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8563 return _IMP_core.RigidBodyMember_add_to_derivative(self, a0, a1, a2)
8565 def set_is_optimized(self, a0, a1):
8566 r"""set_is_optimized(RigidBodyMember self, FloatKey a0, bool a1)"""
8567 return _IMP_core.RigidBodyMember_set_is_optimized(self, a0, a1)
8569 def get_is_optimized(self, a0):
8570 r"""get_is_optimized(RigidBodyMember self, FloatKey a0) -> bool"""
8571 return _IMP_core.RigidBodyMember_get_is_optimized(self, a0)
8574 r"""get_check_level(RigidBodyMember self) -> IMP::CheckLevel"""
8575 return _IMP_core.RigidBodyMember_get_check_level(self)
8577 def __eq__(self, *args):
8579 __eq__(RigidBodyMember self, RigidBodyMember o) -> bool
8580 __eq__(RigidBodyMember self, Particle d) -> bool
8582 return _IMP_core.RigidBodyMember___eq__(self, *args)
8584 def __ne__(self, *args):
8586 __ne__(RigidBodyMember self, RigidBodyMember o) -> bool
8587 __ne__(RigidBodyMember self, Particle d) -> bool
8589 return _IMP_core.RigidBodyMember___ne__(self, *args)
8591 def __le__(self, *args):
8593 __le__(RigidBodyMember self, RigidBodyMember o) -> bool
8594 __le__(RigidBodyMember self, Particle d) -> bool
8596 return _IMP_core.RigidBodyMember___le__(self, *args)
8598 def __lt__(self, *args):
8600 __lt__(RigidBodyMember self, RigidBodyMember o) -> bool
8601 __lt__(RigidBodyMember self, Particle d) -> bool
8603 return _IMP_core.RigidBodyMember___lt__(self, *args)
8605 def __ge__(self, *args):
8607 __ge__(RigidBodyMember self, RigidBodyMember o) -> bool
8608 __ge__(RigidBodyMember self, Particle d) -> bool
8610 return _IMP_core.RigidBodyMember___ge__(self, *args)
8612 def __gt__(self, *args):
8614 __gt__(RigidBodyMember self, RigidBodyMember o) -> bool
8615 __gt__(RigidBodyMember self, Particle d) -> bool
8617 return _IMP_core.RigidBodyMember___gt__(self, *args)
8620 r"""__hash__(RigidBodyMember self) -> std::size_t"""
8621 return _IMP_core.RigidBodyMember___hash__(self)
8624 r"""__str__(RigidBodyMember self) -> std::string"""
8625 return _IMP_core.RigidBodyMember___str__(self)
8628 r"""__repr__(RigidBodyMember self) -> std::string"""
8629 return _IMP_core.RigidBodyMember___repr__(self)
8631 def _get_as_binary(self):
8632 r"""_get_as_binary(RigidBodyMember self) -> PyObject *"""
8633 return _IMP_core.RigidBodyMember__get_as_binary(self)
8635 def _set_from_binary(self, p):
8636 r"""_set_from_binary(RigidBodyMember self, PyObject * p)"""
8637 return _IMP_core.RigidBodyMember__set_from_binary(self, p)
8639 def __getstate__(self):
8640 p = self._get_as_binary()
8641 if len(self.__dict__) > 1:
8642 d = self.__dict__.copy()
8647 def __setstate__(self, p):
8648 if not hasattr(self,
'this'):
8650 if isinstance(p, tuple):
8652 self.__dict__.update(d)
8653 return self._set_from_binary(p)
8657 _IMP_core.RigidBodyMember_swigregister(RigidBodyMember)
8658 class RigidMember(RigidBodyMember):
8659 r"""Proxy of C++ IMP::core::RigidMember class."""
8661 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8663 def show(self, *args):
8664 r"""show(RigidMember self, _ostream out=std::cout)"""
8665 return _IMP_core.RigidMember_show(self, *args)
8667 def __init__(self, *args):
8669 __init__(RigidMember self) -> RigidMember
8670 __init__(RigidMember self, Model m, ParticleIndex id) -> RigidMember
8671 __init__(RigidMember self, _ParticleAdaptor d) -> RigidMember
8672 __init__(RigidMember self, RigidMember arg2) -> RigidMember
8674 _IMP_core.RigidMember_swiginit(self, _IMP_core.new_RigidMember(*args))
8675 __swig_destroy__ = _IMP_core.delete_RigidMember
8678 def get_is_setup(*args):
8680 get_is_setup(_ParticleAdaptor p) -> bool
8681 get_is_setup(Model m, _ParticleIndexAdaptor p) -> bool
8683 return _IMP_core.RigidMember_get_is_setup(*args)
8685 def add_attribute(self, *args):
8687 add_attribute(RigidMember self, FloatKey k, IMP::Float v, bool opt)
8688 add_attribute(RigidMember self, FloatKey a0, IMP::Float a1)
8689 add_attribute(RigidMember self, IntKey a0, IMP::Int a1)
8690 add_attribute(RigidMember self, FloatsKey a0, IMP::Floats a1)
8691 add_attribute(RigidMember self, IntsKey a0, IMP::Ints a1)
8692 add_attribute(RigidMember self, StringKey a0, IMP::String a1)
8693 add_attribute(RigidMember self, ParticleIndexKey a0, Particle a1)
8694 add_attribute(RigidMember self, ObjectKey a0, Object a1)
8695 add_attribute(RigidMember self, SparseFloatKey a0, IMP::Float a1)
8696 add_attribute(RigidMember self, SparseIntKey a0, IMP::Int a1)
8697 add_attribute(RigidMember self, SparseStringKey a0, IMP::String a1)
8698 add_attribute(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8700 return _IMP_core.RigidMember_add_attribute(self, *args)
8702 def get_value(self, *args):
8704 get_value(RigidMember self, FloatKey a0) -> IMP::Float
8705 get_value(RigidMember self, IntKey a0) -> IMP::Int
8706 get_value(RigidMember self, FloatsKey a0) -> IMP::Floats
8707 get_value(RigidMember self, IntsKey a0) -> IMP::Ints
8708 get_value(RigidMember self, StringKey a0) -> IMP::String
8709 get_value(RigidMember self, ParticleIndexKey a0) -> Particle
8710 get_value(RigidMember self, ObjectKey a0) -> Object
8711 get_value(RigidMember self, SparseFloatKey a0) -> IMP::Float
8712 get_value(RigidMember self, SparseIntKey a0) -> IMP::Int
8713 get_value(RigidMember self, SparseStringKey a0) -> IMP::String
8714 get_value(RigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
8716 return _IMP_core.RigidMember_get_value(self, *args)
8718 def set_value(self, *args):
8720 set_value(RigidMember self, FloatKey a0, IMP::Float a1)
8721 set_value(RigidMember self, IntKey a0, IMP::Int a1)
8722 set_value(RigidMember self, FloatsKey a0, IMP::Floats a1)
8723 set_value(RigidMember self, IntsKey a0, IMP::Ints a1)
8724 set_value(RigidMember self, StringKey a0, IMP::String a1)
8725 set_value(RigidMember self, ParticleIndexKey a0, Particle a1)
8726 set_value(RigidMember self, ObjectKey a0, Object a1)
8727 set_value(RigidMember self, SparseFloatKey a0, IMP::Float a1)
8728 set_value(RigidMember self, SparseIntKey a0, IMP::Int a1)
8729 set_value(RigidMember self, SparseStringKey a0, IMP::String a1)
8730 set_value(RigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8732 return _IMP_core.RigidMember_set_value(self, *args)
8734 def remove_attribute(self, *args):
8736 remove_attribute(RigidMember self, FloatKey a0)
8737 remove_attribute(RigidMember self, IntKey a0)
8738 remove_attribute(RigidMember self, FloatsKey a0)
8739 remove_attribute(RigidMember self, IntsKey a0)
8740 remove_attribute(RigidMember self, StringKey a0)
8741 remove_attribute(RigidMember self, ParticleIndexKey a0)
8742 remove_attribute(RigidMember self, ObjectKey a0)
8743 remove_attribute(RigidMember self, SparseFloatKey a0)
8744 remove_attribute(RigidMember self, SparseIntKey a0)
8745 remove_attribute(RigidMember self, SparseStringKey a0)
8746 remove_attribute(RigidMember self, SparseParticleIndexKey a0)
8748 return _IMP_core.RigidMember_remove_attribute(self, *args)
8750 def has_attribute(self, *args):
8752 has_attribute(RigidMember self, FloatKey a0) -> bool
8753 has_attribute(RigidMember self, IntKey a0) -> bool
8754 has_attribute(RigidMember self, FloatsKey a0) -> bool
8755 has_attribute(RigidMember self, IntsKey a0) -> bool
8756 has_attribute(RigidMember self, StringKey a0) -> bool
8757 has_attribute(RigidMember self, ParticleIndexKey a0) -> bool
8758 has_attribute(RigidMember self, ObjectKey a0) -> bool
8759 has_attribute(RigidMember self, SparseFloatKey a0) -> bool
8760 has_attribute(RigidMember self, SparseIntKey a0) -> bool
8761 has_attribute(RigidMember self, SparseStringKey a0) -> bool
8762 has_attribute(RigidMember self, SparseParticleIndexKey a0) -> bool
8764 return _IMP_core.RigidMember_has_attribute(self, *args)
8766 def get_derivative(self, a0):
8767 r"""get_derivative(RigidMember self, FloatKey a0) -> double"""
8768 return _IMP_core.RigidMember_get_derivative(self, a0)
8771 r"""get_name(RigidMember self) -> std::string"""
8772 return _IMP_core.RigidMember_get_name(self)
8774 def clear_caches(self):
8775 r"""clear_caches(RigidMember self)"""
8776 return _IMP_core.RigidMember_clear_caches(self)
8778 def set_name(self, a0):
8779 r"""set_name(RigidMember self, std::string a0)"""
8780 return _IMP_core.RigidMember_set_name(self, a0)
8783 r"""set_check_level(RigidMember self, IMP::CheckLevel a0)"""
8784 return _IMP_core.RigidMember_set_check_level(self, a0)
8786 def add_to_derivative(self, a0, a1, a2):
8787 r"""add_to_derivative(RigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8788 return _IMP_core.RigidMember_add_to_derivative(self, a0, a1, a2)
8790 def set_is_optimized(self, a0, a1):
8791 r"""set_is_optimized(RigidMember self, FloatKey a0, bool a1)"""
8792 return _IMP_core.RigidMember_set_is_optimized(self, a0, a1)
8794 def get_is_optimized(self, a0):
8795 r"""get_is_optimized(RigidMember self, FloatKey a0) -> bool"""
8796 return _IMP_core.RigidMember_get_is_optimized(self, a0)
8799 r"""get_check_level(RigidMember self) -> IMP::CheckLevel"""
8800 return _IMP_core.RigidMember_get_check_level(self)
8802 def __eq__(self, *args):
8804 __eq__(RigidMember self, RigidMember o) -> bool
8805 __eq__(RigidMember self, Particle d) -> bool
8807 return _IMP_core.RigidMember___eq__(self, *args)
8809 def __ne__(self, *args):
8811 __ne__(RigidMember self, RigidMember o) -> bool
8812 __ne__(RigidMember self, Particle d) -> bool
8814 return _IMP_core.RigidMember___ne__(self, *args)
8816 def __le__(self, *args):
8818 __le__(RigidMember self, RigidMember o) -> bool
8819 __le__(RigidMember self, Particle d) -> bool
8821 return _IMP_core.RigidMember___le__(self, *args)
8823 def __lt__(self, *args):
8825 __lt__(RigidMember self, RigidMember o) -> bool
8826 __lt__(RigidMember self, Particle d) -> bool
8828 return _IMP_core.RigidMember___lt__(self, *args)
8830 def __ge__(self, *args):
8832 __ge__(RigidMember self, RigidMember o) -> bool
8833 __ge__(RigidMember self, Particle d) -> bool
8835 return _IMP_core.RigidMember___ge__(self, *args)
8837 def __gt__(self, *args):
8839 __gt__(RigidMember self, RigidMember o) -> bool
8840 __gt__(RigidMember self, Particle d) -> bool
8842 return _IMP_core.RigidMember___gt__(self, *args)
8845 r"""__hash__(RigidMember self) -> std::size_t"""
8846 return _IMP_core.RigidMember___hash__(self)
8849 r"""__str__(RigidMember self) -> std::string"""
8850 return _IMP_core.RigidMember___str__(self)
8853 r"""__repr__(RigidMember self) -> std::string"""
8854 return _IMP_core.RigidMember___repr__(self)
8856 def _get_as_binary(self):
8857 r"""_get_as_binary(RigidMember self) -> PyObject *"""
8858 return _IMP_core.RigidMember__get_as_binary(self)
8860 def _set_from_binary(self, p):
8861 r"""_set_from_binary(RigidMember self, PyObject * p)"""
8862 return _IMP_core.RigidMember__set_from_binary(self, p)
8864 def __getstate__(self):
8865 p = self._get_as_binary()
8866 if len(self.__dict__) > 1:
8867 d = self.__dict__.copy()
8872 def __setstate__(self, p):
8873 if not hasattr(self,
'this'):
8875 if isinstance(p, tuple):
8877 self.__dict__.update(d)
8878 return self._set_from_binary(p)
8882 _IMP_core.RigidMember_swigregister(RigidMember)
8883 class NonRigidMember(RigidBodyMember):
8884 r"""Proxy of C++ IMP::core::NonRigidMember class."""
8886 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
8888 def show(self, *args):
8889 r"""show(NonRigidMember self, _ostream out=std::cout)"""
8890 return _IMP_core.NonRigidMember_show(self, *args)
8892 def __init__(self, *args):
8894 __init__(NonRigidMember self) -> NonRigidMember
8895 __init__(NonRigidMember self, Model m, ParticleIndex id) -> NonRigidMember
8896 __init__(NonRigidMember self, _ParticleAdaptor d) -> NonRigidMember
8897 __init__(NonRigidMember self, NonRigidMember arg2) -> NonRigidMember
8899 _IMP_core.NonRigidMember_swiginit(self, _IMP_core.new_NonRigidMember(*args))
8900 __swig_destroy__ = _IMP_core.delete_NonRigidMember
8903 def get_is_setup(*args):
8905 get_is_setup(_ParticleAdaptor p) -> bool
8906 get_is_setup(Model m, ParticleIndex p) -> bool
8908 return _IMP_core.NonRigidMember_get_is_setup(*args)
8910 def add_to_internal_derivatives(self, deriv_parent, da):
8911 r"""add_to_internal_derivatives(NonRigidMember self, Vector3D deriv_parent, DerivativeAccumulator da)"""
8912 return _IMP_core.NonRigidMember_add_to_internal_derivatives(self, deriv_parent, da)
8914 def add_to_internal_rotational_derivatives(self, *args):
8916 add_to_internal_rotational_derivatives(NonRigidMember self, Vector4D local_qderiv, Rotation3D rot_local_to_parent, Rotation3D rot_parent_to_global, DerivativeAccumulator da)
8917 add_to_internal_rotational_derivatives(NonRigidMember self, Vector4D qderiv, DerivativeAccumulator da)
8919 return _IMP_core.NonRigidMember_add_to_internal_rotational_derivatives(self, *args)
8921 def get_internal_derivatives(self):
8922 r"""get_internal_derivatives(NonRigidMember self) -> Vector3D"""
8923 return _IMP_core.NonRigidMember_get_internal_derivatives(self)
8925 def get_internal_rotational_derivatives(self):
8926 r"""get_internal_rotational_derivatives(NonRigidMember self) -> Vector4D"""
8927 return _IMP_core.NonRigidMember_get_internal_rotational_derivatives(self)
8929 def add_attribute(self, *args):
8931 add_attribute(NonRigidMember self, FloatKey k, IMP::Float v, bool opt)
8932 add_attribute(NonRigidMember self, FloatKey a0, IMP::Float a1)
8933 add_attribute(NonRigidMember self, IntKey a0, IMP::Int a1)
8934 add_attribute(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
8935 add_attribute(NonRigidMember self, IntsKey a0, IMP::Ints a1)
8936 add_attribute(NonRigidMember self, StringKey a0, IMP::String a1)
8937 add_attribute(NonRigidMember self, ParticleIndexKey a0, Particle a1)
8938 add_attribute(NonRigidMember self, ObjectKey a0, Object a1)
8939 add_attribute(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
8940 add_attribute(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
8941 add_attribute(NonRigidMember self, SparseStringKey a0, IMP::String a1)
8942 add_attribute(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8944 return _IMP_core.NonRigidMember_add_attribute(self, *args)
8946 def get_value(self, *args):
8948 get_value(NonRigidMember self, FloatKey a0) -> IMP::Float
8949 get_value(NonRigidMember self, IntKey a0) -> IMP::Int
8950 get_value(NonRigidMember self, FloatsKey a0) -> IMP::Floats
8951 get_value(NonRigidMember self, IntsKey a0) -> IMP::Ints
8952 get_value(NonRigidMember self, StringKey a0) -> IMP::String
8953 get_value(NonRigidMember self, ParticleIndexKey a0) -> Particle
8954 get_value(NonRigidMember self, ObjectKey a0) -> Object
8955 get_value(NonRigidMember self, SparseFloatKey a0) -> IMP::Float
8956 get_value(NonRigidMember self, SparseIntKey a0) -> IMP::Int
8957 get_value(NonRigidMember self, SparseStringKey a0) -> IMP::String
8958 get_value(NonRigidMember self, SparseParticleIndexKey a0) -> ParticleIndex
8960 return _IMP_core.NonRigidMember_get_value(self, *args)
8962 def set_value(self, *args):
8964 set_value(NonRigidMember self, FloatKey a0, IMP::Float a1)
8965 set_value(NonRigidMember self, IntKey a0, IMP::Int a1)
8966 set_value(NonRigidMember self, FloatsKey a0, IMP::Floats a1)
8967 set_value(NonRigidMember self, IntsKey a0, IMP::Ints a1)
8968 set_value(NonRigidMember self, StringKey a0, IMP::String a1)
8969 set_value(NonRigidMember self, ParticleIndexKey a0, Particle a1)
8970 set_value(NonRigidMember self, ObjectKey a0, Object a1)
8971 set_value(NonRigidMember self, SparseFloatKey a0, IMP::Float a1)
8972 set_value(NonRigidMember self, SparseIntKey a0, IMP::Int a1)
8973 set_value(NonRigidMember self, SparseStringKey a0, IMP::String a1)
8974 set_value(NonRigidMember self, SparseParticleIndexKey a0, ParticleIndex a1)
8976 return _IMP_core.NonRigidMember_set_value(self, *args)
8978 def remove_attribute(self, *args):
8980 remove_attribute(NonRigidMember self, FloatKey a0)
8981 remove_attribute(NonRigidMember self, IntKey a0)
8982 remove_attribute(NonRigidMember self, FloatsKey a0)
8983 remove_attribute(NonRigidMember self, IntsKey a0)
8984 remove_attribute(NonRigidMember self, StringKey a0)
8985 remove_attribute(NonRigidMember self, ParticleIndexKey a0)
8986 remove_attribute(NonRigidMember self, ObjectKey a0)
8987 remove_attribute(NonRigidMember self, SparseFloatKey a0)
8988 remove_attribute(NonRigidMember self, SparseIntKey a0)
8989 remove_attribute(NonRigidMember self, SparseStringKey a0)
8990 remove_attribute(NonRigidMember self, SparseParticleIndexKey a0)
8992 return _IMP_core.NonRigidMember_remove_attribute(self, *args)
8994 def has_attribute(self, *args):
8996 has_attribute(NonRigidMember self, FloatKey a0) -> bool
8997 has_attribute(NonRigidMember self, IntKey a0) -> bool
8998 has_attribute(NonRigidMember self, FloatsKey a0) -> bool
8999 has_attribute(NonRigidMember self, IntsKey a0) -> bool
9000 has_attribute(NonRigidMember self, StringKey a0) -> bool
9001 has_attribute(NonRigidMember self, ParticleIndexKey a0) -> bool
9002 has_attribute(NonRigidMember self, ObjectKey a0) -> bool
9003 has_attribute(NonRigidMember self, SparseFloatKey a0) -> bool
9004 has_attribute(NonRigidMember self, SparseIntKey a0) -> bool
9005 has_attribute(NonRigidMember self, SparseStringKey a0) -> bool
9006 has_attribute(NonRigidMember self, SparseParticleIndexKey a0) -> bool
9008 return _IMP_core.NonRigidMember_has_attribute(self, *args)
9010 def get_derivative(self, a0):
9011 r"""get_derivative(NonRigidMember self, FloatKey a0) -> double"""
9012 return _IMP_core.NonRigidMember_get_derivative(self, a0)
9015 r"""get_name(NonRigidMember self) -> std::string"""
9016 return _IMP_core.NonRigidMember_get_name(self)
9018 def clear_caches(self):
9019 r"""clear_caches(NonRigidMember self)"""
9020 return _IMP_core.NonRigidMember_clear_caches(self)
9022 def set_name(self, a0):
9023 r"""set_name(NonRigidMember self, std::string a0)"""
9024 return _IMP_core.NonRigidMember_set_name(self, a0)
9027 r"""set_check_level(NonRigidMember self, IMP::CheckLevel a0)"""
9028 return _IMP_core.NonRigidMember_set_check_level(self, a0)
9030 def add_to_derivative(self, a0, a1, a2):
9031 r"""add_to_derivative(NonRigidMember self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9032 return _IMP_core.NonRigidMember_add_to_derivative(self, a0, a1, a2)
9034 def set_is_optimized(self, a0, a1):
9035 r"""set_is_optimized(NonRigidMember self, FloatKey a0, bool a1)"""
9036 return _IMP_core.NonRigidMember_set_is_optimized(self, a0, a1)
9038 def get_is_optimized(self, a0):
9039 r"""get_is_optimized(NonRigidMember self, FloatKey a0) -> bool"""
9040 return _IMP_core.NonRigidMember_get_is_optimized(self, a0)
9043 r"""get_check_level(NonRigidMember self) -> IMP::CheckLevel"""
9044 return _IMP_core.NonRigidMember_get_check_level(self)
9046 def __eq__(self, *args):
9048 __eq__(NonRigidMember self, NonRigidMember o) -> bool
9049 __eq__(NonRigidMember self, Particle d) -> bool
9051 return _IMP_core.NonRigidMember___eq__(self, *args)
9053 def __ne__(self, *args):
9055 __ne__(NonRigidMember self, NonRigidMember o) -> bool
9056 __ne__(NonRigidMember self, Particle d) -> bool
9058 return _IMP_core.NonRigidMember___ne__(self, *args)
9060 def __le__(self, *args):
9062 __le__(NonRigidMember self, NonRigidMember o) -> bool
9063 __le__(NonRigidMember self, Particle d) -> bool
9065 return _IMP_core.NonRigidMember___le__(self, *args)
9067 def __lt__(self, *args):
9069 __lt__(NonRigidMember self, NonRigidMember o) -> bool
9070 __lt__(NonRigidMember self, Particle d) -> bool
9072 return _IMP_core.NonRigidMember___lt__(self, *args)
9074 def __ge__(self, *args):
9076 __ge__(NonRigidMember self, NonRigidMember o) -> bool
9077 __ge__(NonRigidMember self, Particle d) -> bool
9079 return _IMP_core.NonRigidMember___ge__(self, *args)
9081 def __gt__(self, *args):
9083 __gt__(NonRigidMember self, NonRigidMember o) -> bool
9084 __gt__(NonRigidMember self, Particle d) -> bool
9086 return _IMP_core.NonRigidMember___gt__(self, *args)
9089 r"""__hash__(NonRigidMember self) -> std::size_t"""
9090 return _IMP_core.NonRigidMember___hash__(self)
9093 r"""__str__(NonRigidMember self) -> std::string"""
9094 return _IMP_core.NonRigidMember___str__(self)
9097 r"""__repr__(NonRigidMember self) -> std::string"""
9098 return _IMP_core.NonRigidMember___repr__(self)
9100 def _get_as_binary(self):
9101 r"""_get_as_binary(NonRigidMember self) -> PyObject *"""
9102 return _IMP_core.NonRigidMember__get_as_binary(self)
9104 def _set_from_binary(self, p):
9105 r"""_set_from_binary(NonRigidMember self, PyObject * p)"""
9106 return _IMP_core.NonRigidMember__set_from_binary(self, p)
9108 def __getstate__(self):
9109 p = self._get_as_binary()
9110 if len(self.__dict__) > 1:
9111 d = self.__dict__.copy()
9116 def __setstate__(self, p):
9117 if not hasattr(self,
'this'):
9119 if isinstance(p, tuple):
9121 self.__dict__.update(d)
9122 return self._set_from_binary(p)
9126 _IMP_core.NonRigidMember_swigregister(NonRigidMember)
9128 r"""Proxy of C++ IMP::core::RigidMembersRefiner class."""
9130 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9132 def __init__(self, *args):
9133 r"""__init__(RigidMembersRefiner self, std::string name="RigidMembersRefiner%d") -> RigidMembersRefiner"""
9134 _IMP_core.RigidMembersRefiner_swiginit(self, _IMP_core.new_RigidMembersRefiner(*args))
9136 def do_get_inputs(self, m, pis):
9137 r"""do_get_inputs(RigidMembersRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9138 return _IMP_core.RigidMembersRefiner_do_get_inputs(self, m, pis)
9140 def get_version_info(self):
9141 r"""get_version_info(RigidMembersRefiner self) -> VersionInfo"""
9142 return _IMP_core.RigidMembersRefiner_get_version_info(self)
9143 __swig_destroy__ = _IMP_core.delete_RigidMembersRefiner
9146 r"""__str__(RigidMembersRefiner self) -> std::string"""
9147 return _IMP_core.RigidMembersRefiner___str__(self)
9150 r"""__repr__(RigidMembersRefiner self) -> std::string"""
9151 return _IMP_core.RigidMembersRefiner___repr__(self)
9155 return _object_cast_to_RigidMembersRefiner(o)
9159 _IMP_core.RigidMembersRefiner_swigregister(RigidMembersRefiner)
9161 def get_rigid_members_refiner():
9162 r"""get_rigid_members_refiner() -> RigidMembersRefiner"""
9163 return _IMP_core.get_rigid_members_refiner()
9167 transform(XYZ a, Transformation3D tr)
9168 transform(RigidBody a, Transformation3D tr)
9170 return _IMP_core.transform(*args)
9174 get_initial_reference_frame(Model m, IMP::ParticleIndexes const & pis) -> ReferenceFrame3D
9175 get_initial_reference_frame(IMP::ParticlesTemp const & ps) -> ReferenceFrame3D
9177 return _IMP_core.get_initial_reference_frame(*args)
9180 r"""create_rigid_bodies(Model m, unsigned int n, bool no_members=False) -> IMP::ParticlesTemp"""
9181 return _IMP_core.create_rigid_bodies(m, n, no_members)
9184 r"""show_rigid_body_hierarchy(RigidBody rb, TextOutput out=IMP::TextOutput(std::cout))"""
9185 return _IMP_core.show_rigid_body_hierarchy(*args)
9188 r"""get_root_rigid_body(RigidMember m) -> ParticleIndex"""
9189 return _IMP_core.get_root_rigid_body(m)
9191 r"""Proxy of C++ IMP::core::RigidBodyHierarchyGeometry class."""
9193 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9195 def __init__(self, rb, constituents):
9196 r"""__init__(RigidBodyHierarchyGeometry self, RigidBody rb, IMP::ParticlesTemp const & constituents) -> RigidBodyHierarchyGeometry"""
9197 _IMP_core.RigidBodyHierarchyGeometry_swiginit(self, _IMP_core.new_RigidBodyHierarchyGeometry(rb, constituents))
9199 def get_version_info(self):
9200 r"""get_version_info(RigidBodyHierarchyGeometry self) -> VersionInfo"""
9201 return _IMP_core.RigidBodyHierarchyGeometry_get_version_info(self)
9202 __swig_destroy__ = _IMP_core.delete_RigidBodyHierarchyGeometry
9205 r"""__str__(RigidBodyHierarchyGeometry self) -> std::string"""
9206 return _IMP_core.RigidBodyHierarchyGeometry___str__(self)
9209 r"""__repr__(RigidBodyHierarchyGeometry self) -> std::string"""
9210 return _IMP_core.RigidBodyHierarchyGeometry___repr__(self)
9214 return _object_cast_to_RigidBodyHierarchyGeometry(o)
9218 _IMP_core.RigidBodyHierarchyGeometry_swigregister(RigidBodyHierarchyGeometry)
9220 r"""Proxy of C++ IMP::core::RigidBodyDerivativeGeometry class."""
9222 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9224 def __init__(self, *args):
9226 __init__(RigidBodyDerivativeGeometry self, Particle p) -> RigidBodyDerivativeGeometry
9227 __init__(RigidBodyDerivativeGeometry self, RigidBody d) -> RigidBodyDerivativeGeometry
9229 _IMP_core.RigidBodyDerivativeGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativeGeometry(*args))
9231 def get_version_info(self):
9232 r"""get_version_info(RigidBodyDerivativeGeometry self) -> VersionInfo"""
9233 return _IMP_core.RigidBodyDerivativeGeometry_get_version_info(self)
9234 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativeGeometry
9237 r"""__str__(RigidBodyDerivativeGeometry self) -> std::string"""
9238 return _IMP_core.RigidBodyDerivativeGeometry___str__(self)
9241 r"""__repr__(RigidBodyDerivativeGeometry self) -> std::string"""
9242 return _IMP_core.RigidBodyDerivativeGeometry___repr__(self)
9246 return _object_cast_to_RigidBodyDerivativeGeometry(o)
9250 _IMP_core.RigidBodyDerivativeGeometry_swigregister(RigidBodyDerivativeGeometry)
9252 r"""Proxy of C++ IMP::core::RigidBodyDerivativesGeometry class."""
9254 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9256 def __init__(self, sc):
9257 r"""__init__(RigidBodyDerivativesGeometry self, SingletonContainer sc) -> RigidBodyDerivativesGeometry"""
9258 _IMP_core.RigidBodyDerivativesGeometry_swiginit(self, _IMP_core.new_RigidBodyDerivativesGeometry(sc))
9260 def get_version_info(self):
9261 r"""get_version_info(RigidBodyDerivativesGeometry self) -> VersionInfo"""
9262 return _IMP_core.RigidBodyDerivativesGeometry_get_version_info(self)
9263 __swig_destroy__ = _IMP_core.delete_RigidBodyDerivativesGeometry
9266 r"""__str__(RigidBodyDerivativesGeometry self) -> std::string"""
9267 return _IMP_core.RigidBodyDerivativesGeometry___str__(self)
9270 r"""__repr__(RigidBodyDerivativesGeometry self) -> std::string"""
9271 return _IMP_core.RigidBodyDerivativesGeometry___repr__(self)
9275 return _object_cast_to_RigidBodyDerivativesGeometry(o)
9279 _IMP_core.RigidBodyDerivativesGeometry_swigregister(RigidBodyDerivativesGeometry)
9281 r"""Proxy of C++ IMP::core::RigidBodyFrameGeometry class."""
9283 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9285 def __init__(self, *args):
9287 __init__(RigidBodyFrameGeometry self, Particle p) -> RigidBodyFrameGeometry
9288 __init__(RigidBodyFrameGeometry self, RigidBody d) -> RigidBodyFrameGeometry
9290 _IMP_core.RigidBodyFrameGeometry_swiginit(self, _IMP_core.new_RigidBodyFrameGeometry(*args))
9292 def get_version_info(self):
9293 r"""get_version_info(RigidBodyFrameGeometry self) -> VersionInfo"""
9294 return _IMP_core.RigidBodyFrameGeometry_get_version_info(self)
9295 __swig_destroy__ = _IMP_core.delete_RigidBodyFrameGeometry
9298 r"""__str__(RigidBodyFrameGeometry self) -> std::string"""
9299 return _IMP_core.RigidBodyFrameGeometry___str__(self)
9302 r"""__repr__(RigidBodyFrameGeometry self) -> std::string"""
9303 return _IMP_core.RigidBodyFrameGeometry___repr__(self)
9307 return _object_cast_to_RigidBodyFrameGeometry(o)
9311 _IMP_core.RigidBodyFrameGeometry_swigregister(RigidBodyFrameGeometry)
9313 r"""Proxy of C++ IMP::core::RigidBodyFramesGeometry class."""
9315 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9317 def __init__(self, sc):
9318 r"""__init__(RigidBodyFramesGeometry self, SingletonContainer sc) -> RigidBodyFramesGeometry"""
9319 _IMP_core.RigidBodyFramesGeometry_swiginit(self, _IMP_core.new_RigidBodyFramesGeometry(sc))
9321 def get_version_info(self):
9322 r"""get_version_info(RigidBodyFramesGeometry self) -> VersionInfo"""
9323 return _IMP_core.RigidBodyFramesGeometry_get_version_info(self)
9324 __swig_destroy__ = _IMP_core.delete_RigidBodyFramesGeometry
9327 r"""__str__(RigidBodyFramesGeometry self) -> std::string"""
9328 return _IMP_core.RigidBodyFramesGeometry___str__(self)
9331 r"""__repr__(RigidBodyFramesGeometry self) -> std::string"""
9332 return _IMP_core.RigidBodyFramesGeometry___repr__(self)
9336 return _object_cast_to_RigidBodyFramesGeometry(o)
9340 _IMP_core.RigidBodyFramesGeometry_swigregister(RigidBodyFramesGeometry)
9342 r"""Proxy of C++ IMP::core::RigidBodyTorque class."""
9344 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9346 def __init__(self, p):
9347 r"""__init__(RigidBodyTorque self, Particle p) -> RigidBodyTorque"""
9348 _IMP_core.RigidBodyTorque_swiginit(self, _IMP_core.new_RigidBodyTorque(p))
9351 r"""__str__(RigidBodyTorque self) -> std::string"""
9352 return _IMP_core.RigidBodyTorque___str__(self)
9355 r"""__repr__(RigidBodyTorque self) -> std::string"""
9356 return _IMP_core.RigidBodyTorque___repr__(self)
9360 return _object_cast_to_RigidBodyTorque(o)
9362 __swig_destroy__ = _IMP_core.delete_RigidBodyTorque
9365 _IMP_core.RigidBodyTorque_swigregister(RigidBodyTorque)
9366 class NearestNeighborsClosePairsFinder(ClosePairsFinder):
9367 r"""Proxy of C++ IMP::core::NearestNeighborsClosePairsFinder class."""
9369 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9372 r"""__init__(NearestNeighborsClosePairsFinder self) -> NearestNeighborsClosePairsFinder"""
9373 _IMP_core.NearestNeighborsClosePairsFinder_swiginit(self, _IMP_core.new_NearestNeighborsClosePairsFinder())
9375 def get_close_pairs(self, *args):
9377 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9378 get_close_pairs(NearestNeighborsClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9379 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
9380 get_close_pairs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
9382 return _IMP_core.NearestNeighborsClosePairsFinder_get_close_pairs(self, *args)
9384 def do_get_inputs(self, m, pis):
9385 r"""do_get_inputs(NearestNeighborsClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9386 return _IMP_core.NearestNeighborsClosePairsFinder_do_get_inputs(self, m, pis)
9388 def get_version_info(self):
9389 r"""get_version_info(NearestNeighborsClosePairsFinder self) -> VersionInfo"""
9390 return _IMP_core.NearestNeighborsClosePairsFinder_get_version_info(self)
9391 __swig_destroy__ = _IMP_core.delete_NearestNeighborsClosePairsFinder
9394 r"""__str__(NearestNeighborsClosePairsFinder self) -> std::string"""
9395 return _IMP_core.NearestNeighborsClosePairsFinder___str__(self)
9398 r"""__repr__(NearestNeighborsClosePairsFinder self) -> std::string"""
9399 return _IMP_core.NearestNeighborsClosePairsFinder___repr__(self)
9403 return _object_cast_to_NearestNeighborsClosePairsFinder(o)
9407 _IMP_core.NearestNeighborsClosePairsFinder_swigregister(NearestNeighborsClosePairsFinder)
9409 r"""Proxy of C++ IMP::core::RestraintsScoringFunction class."""
9411 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9413 def __init__(self, *args):
9415 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, double weight=1.0, double max=NO_MAX, std::string name="RestraintsScoringFunction%1%") -> RestraintsScoringFunction
9416 __init__(RestraintsScoringFunction self, _RestraintsAdaptor rs, std::string name) -> RestraintsScoringFunction
9417 __init__(RestraintsScoringFunction self) -> RestraintsScoringFunction
9419 _IMP_core.RestraintsScoringFunction_swiginit(self, _IMP_core.new_RestraintsScoringFunction(*args))
9421 def do_add_score_and_derivatives(self, sa, ss):
9422 r"""do_add_score_and_derivatives(RestraintsScoringFunction self, ScoreAccumulator sa, IMP::ScoreStatesTemp const & ss)"""
9423 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives(self, sa, ss)
9425 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss):
9426 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)"""
9427 return _IMP_core.RestraintsScoringFunction_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis, ss)
9429 def do_get_inputs(self):
9430 r"""do_get_inputs(RestraintsScoringFunction self) -> IMP::ModelObjectsTemp"""
9431 return _IMP_core.RestraintsScoringFunction_do_get_inputs(self)
9433 def get_restraints(self):
9434 r"""get_restraints(RestraintsScoringFunction self) -> IMP::Restraints"""
9435 return _IMP_core.RestraintsScoringFunction_get_restraints(self)
9437 def set_restraints(self, d):
9438 r"""set_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9439 return _IMP_core.RestraintsScoringFunction_set_restraints(self, d)
9441 def get_number_of_restraints(self):
9442 r"""get_number_of_restraints(RestraintsScoringFunction self) -> unsigned int"""
9443 return _IMP_core.RestraintsScoringFunction_get_number_of_restraints(self)
9445 def clear_restraints(self):
9446 r"""clear_restraints(RestraintsScoringFunction self)"""
9447 return _IMP_core.RestraintsScoringFunction_clear_restraints(self)
9449 def get_restraint(self, i):
9450 r"""get_restraint(RestraintsScoringFunction self, unsigned int i) -> Restraint"""
9451 return _IMP_core.RestraintsScoringFunction_get_restraint(self, i)
9453 def erase_restraint(self, i):
9454 r"""erase_restraint(RestraintsScoringFunction self, unsigned int i)"""
9455 return _IMP_core.RestraintsScoringFunction_erase_restraint(self, i)
9458 r"""add_restraint(RestraintsScoringFunction self, Restraint d) -> unsigned int"""
9459 return _IMP_core.RestraintsScoringFunction_add_restraint(self, d)
9462 r"""add_restraints(RestraintsScoringFunction self, IMP::Restraints const & d)"""
9463 return _IMP_core.RestraintsScoringFunction_add_restraints(self, d)
9465 def _python_index_restraint(self, r, start, stop):
9466 r"""_python_index_restraint(RestraintsScoringFunction self, Restraint r, unsigned int start, unsigned int stop) -> unsigned int"""
9467 return _IMP_core.RestraintsScoringFunction__python_index_restraint(self, r, start, stop)
9468 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)
9469 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
9470 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
9471 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##Restraints")
9473 def get_version_info(self):
9474 r"""get_version_info(RestraintsScoringFunction self) -> VersionInfo"""
9475 return _IMP_core.RestraintsScoringFunction_get_version_info(self)
9476 __swig_destroy__ = _IMP_core.delete_RestraintsScoringFunction
9479 r"""__str__(RestraintsScoringFunction self) -> std::string"""
9480 return _IMP_core.RestraintsScoringFunction___str__(self)
9483 r"""__repr__(RestraintsScoringFunction self) -> std::string"""
9484 return _IMP_core.RestraintsScoringFunction___repr__(self)
9488 return _object_cast_to_RestraintsScoringFunction(o)
9491 def _get_as_binary(self):
9492 r"""_get_as_binary(RestraintsScoringFunction self) -> PyObject *"""
9493 return _IMP_core.RestraintsScoringFunction__get_as_binary(self)
9495 def _set_from_binary(self, p):
9496 r"""_set_from_binary(RestraintsScoringFunction self, PyObject * p)"""
9497 return _IMP_core.RestraintsScoringFunction__set_from_binary(self, p)
9499 def __getstate__(self):
9500 p = self._get_as_binary()
9501 if len(self.__dict__) > 1:
9502 d = self.__dict__.copy()
9507 def __setstate__(self, p):
9508 if not hasattr(self,
'this'):
9510 if isinstance(p, tuple):
9512 self.__dict__.update(d)
9513 return self._set_from_binary(p)
9517 import IMP._jax_util
9518 jis = [r.get_derived_object()._get_jax()
for r
in self.restraints]
9519 funcs = [j.score_func
for j
in jis]
9520 keys = frozenset(x
for j
in jis
for x
in j._keys)
9522 return sum(f(jm)
for f
in funcs)
9523 return IMP._jax_util.JAXRestraintInfo(
9524 m=self.get_model(), score_func=jax_sf, weight=1.0, keys=keys)
9528 _IMP_core.RestraintsScoringFunction_swigregister(RestraintsScoringFunction)
9529 class RigidClosePairsFinder(ClosePairsFinder):
9530 r"""Proxy of C++ IMP::core::RigidClosePairsFinder class."""
9532 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9534 def __init__(self, cpf=None):
9535 r"""__init__(RigidClosePairsFinder self, ClosePairsFinder cpf=None) -> RigidClosePairsFinder"""
9536 _IMP_core.RigidClosePairsFinder_swiginit(self, _IMP_core.new_RigidClosePairsFinder(cpf))
9538 def do_get_inputs(self, m, pis):
9539 r"""do_get_inputs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9540 return _IMP_core.RigidClosePairsFinder_do_get_inputs(self, m, pis)
9542 def get_close_pairs(self, *args):
9544 get_close_pairs(RigidClosePairsFinder self, Model m, ParticleIndex a, ParticleIndex b, IMP::ParticleIndexes const & pa, IMP::ParticleIndexes const & pb) -> IMP::ParticleIndexPairs
9545 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9546 get_close_pairs(RigidClosePairsFinder self, IMP::algebra::BoundingBox3Ds const & bas, IMP::algebra::BoundingBox3Ds const & bbs) -> IMP::IntPairs
9547 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pc) -> IMP::ParticleIndexPairs
9548 get_close_pairs(RigidClosePairsFinder self, Model m, IMP::ParticleIndexes const & pca, IMP::ParticleIndexes const & pcb) -> IMP::ParticleIndexPairs
9550 return _IMP_core.RigidClosePairsFinder_get_close_pairs(self, *args)
9552 def get_version_info(self):
9553 r"""get_version_info(RigidClosePairsFinder self) -> VersionInfo"""
9554 return _IMP_core.RigidClosePairsFinder_get_version_info(self)
9555 __swig_destroy__ = _IMP_core.delete_RigidClosePairsFinder
9558 r"""__str__(RigidClosePairsFinder self) -> std::string"""
9559 return _IMP_core.RigidClosePairsFinder___str__(self)
9562 r"""__repr__(RigidClosePairsFinder self) -> std::string"""
9563 return _IMP_core.RigidClosePairsFinder___repr__(self)
9567 return _object_cast_to_RigidClosePairsFinder(o)
9570 def _get_as_binary(self):
9571 r"""_get_as_binary(RigidClosePairsFinder self) -> PyObject *"""
9572 return _IMP_core.RigidClosePairsFinder__get_as_binary(self)
9574 def _set_from_binary(self, p):
9575 r"""_set_from_binary(RigidClosePairsFinder self, PyObject * p)"""
9576 return _IMP_core.RigidClosePairsFinder__set_from_binary(self, p)
9578 def __getstate__(self):
9579 p = self._get_as_binary()
9580 if len(self.__dict__) > 1:
9581 d = self.__dict__.copy()
9586 def __setstate__(self, p):
9587 if not hasattr(self,
'this'):
9589 if isinstance(p, tuple):
9591 self.__dict__.update(d)
9592 return self._set_from_binary(p)
9596 _IMP_core.RigidClosePairsFinder_swigregister(RigidClosePairsFinder)
9598 r"""Proxy of C++ IMP::core::SphereDistancePairScore class."""
9600 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9601 __repr__ = _swig_repr
9603 def __init__(self, *args):
9605 SphereDistancePairScore(UnaryFunction uf, std::string name="SphereDistancePairScore%1%") -> _SphereDistancePairScore
9606 __init__(_SphereDistancePairScore self) -> _SphereDistancePairScore
9608 _IMP_core._SphereDistancePairScore_swiginit(self, _IMP_core.new__SphereDistancePairScore(*args))
9610 def do_get_inputs(self, m, pis):
9611 r"""do_get_inputs(_SphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9612 return _IMP_core._SphereDistancePairScore_do_get_inputs(self, m, pis)
9614 def get_score_functor(self, *args):
9616 get_score_functor(_SphereDistancePairScore self) -> IMP::core::SphereDistanceScore
9617 get_score_functor(_SphereDistancePairScore self) -> IMP::core::SphereDistanceScore const &
9619 return _IMP_core._SphereDistancePairScore_get_score_functor(self, *args)
9621 def get_version_info(self):
9622 r"""get_version_info(_SphereDistancePairScore self) -> VersionInfo"""
9623 return _IMP_core._SphereDistancePairScore_get_version_info(self)
9624 __swig_destroy__ = _IMP_core.delete__SphereDistancePairScore
9628 return _object_cast_to__SphereDistancePairScore(o)
9631 def _get_as_binary(self):
9632 r"""_get_as_binary(_SphereDistancePairScore self) -> PyObject *"""
9633 return _IMP_core._SphereDistancePairScore__get_as_binary(self)
9635 def _set_from_binary(self, p):
9636 r"""_set_from_binary(_SphereDistancePairScore self, PyObject * p)"""
9637 return _IMP_core._SphereDistancePairScore__set_from_binary(self, p)
9639 def __getstate__(self):
9640 p = self._get_as_binary()
9641 if len(self.__dict__) > 1:
9642 d = self.__dict__.copy()
9647 def __setstate__(self, p):
9648 if not hasattr(self,
'this'):
9650 if isinstance(p, tuple):
9652 self.__dict__.update(d)
9653 return self._set_from_binary(p)
9657 _IMP_core._SphereDistancePairScore_swigregister(_SphereDistancePairScore)
9658 class HarmonicUpperBoundSphereDistancePairScore(
IMP.PairScore):
9659 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDistancePairScore class."""
9661 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9663 def __init__(self, *args):
9665 __init__(HarmonicUpperBoundSphereDistancePairScore self, double x0, double k, std::string name="HarmonicUpperBoundSphereDistancePairScore%1%") -> HarmonicUpperBoundSphereDistancePairScore
9666 __init__(HarmonicUpperBoundSphereDistancePairScore self) -> HarmonicUpperBoundSphereDistancePairScore
9668 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDistancePairScore(*args))
9670 def do_get_inputs(self, m, pis):
9671 r"""do_get_inputs(HarmonicUpperBoundSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9672 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_do_get_inputs(self, m, pis)
9674 def get_score_functor(self, *args):
9676 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore
9677 get_score_functor(HarmonicUpperBoundSphereDistancePairScore self) -> IMP::core::HarmonicUpperBoundSphereDistanceScore const &
9679 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_score_functor(self, *args)
9681 def get_version_info(self):
9682 r"""get_version_info(HarmonicUpperBoundSphereDistancePairScore self) -> VersionInfo"""
9683 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore_get_version_info(self)
9684 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDistancePairScore
9687 r"""__str__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
9688 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___str__(self)
9691 r"""__repr__(HarmonicUpperBoundSphereDistancePairScore self) -> std::string"""
9692 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore___repr__(self)
9696 return _object_cast_to_HarmonicUpperBoundSphereDistancePairScore(o)
9699 def _get_as_binary(self):
9700 r"""_get_as_binary(HarmonicUpperBoundSphereDistancePairScore self) -> PyObject *"""
9701 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__get_as_binary(self)
9703 def _set_from_binary(self, p):
9704 r"""_set_from_binary(HarmonicUpperBoundSphereDistancePairScore self, PyObject * p)"""
9705 return _IMP_core.HarmonicUpperBoundSphereDistancePairScore__set_from_binary(self, p)
9707 def __getstate__(self):
9708 p = self._get_as_binary()
9709 if len(self.__dict__) > 1:
9710 d = self.__dict__.copy()
9715 def __setstate__(self, p):
9716 if not hasattr(self,
'this'):
9718 if isinstance(p, tuple):
9720 self.__dict__.update(d)
9721 return self._set_from_binary(p)
9725 _IMP_core.HarmonicUpperBoundSphereDistancePairScore_swigregister(HarmonicUpperBoundSphereDistancePairScore)
9726 class HarmonicUpperBoundSphereDiameterPairScore(
IMP.PairScore):
9727 r"""Proxy of C++ IMP::core::HarmonicUpperBoundSphereDiameterPairScore class."""
9729 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9731 def __init__(self, d0, k):
9732 r"""__init__(HarmonicUpperBoundSphereDiameterPairScore self, double d0, double k) -> HarmonicUpperBoundSphereDiameterPairScore"""
9733 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swiginit(self, _IMP_core.new_HarmonicUpperBoundSphereDiameterPairScore(d0, k))
9735 def get_rest_length(self):
9736 r"""get_rest_length(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
9737 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_rest_length(self)
9739 def get_stiffness(self):
9740 r"""get_stiffness(HarmonicUpperBoundSphereDiameterPairScore self) -> double"""
9741 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_stiffness(self)
9743 def do_get_inputs(self, m, pis):
9744 r"""do_get_inputs(HarmonicUpperBoundSphereDiameterPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9745 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_do_get_inputs(self, m, pis)
9747 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
9748 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"""
9749 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
9751 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
9752 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"""
9753 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
9755 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
9756 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"""
9757 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
9759 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9760 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"""
9761 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
9763 def get_version_info(self):
9764 r"""get_version_info(HarmonicUpperBoundSphereDiameterPairScore self) -> VersionInfo"""
9765 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_get_version_info(self)
9766 __swig_destroy__ = _IMP_core.delete_HarmonicUpperBoundSphereDiameterPairScore
9769 r"""__str__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
9770 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___str__(self)
9773 r"""__repr__(HarmonicUpperBoundSphereDiameterPairScore self) -> std::string"""
9774 return _IMP_core.HarmonicUpperBoundSphereDiameterPairScore___repr__(self)
9778 return _object_cast_to_HarmonicUpperBoundSphereDiameterPairScore(o)
9782 _IMP_core.HarmonicUpperBoundSphereDiameterPairScore_swigregister(HarmonicUpperBoundSphereDiameterPairScore)
9784 r"""Proxy of C++ IMP::core::HarmonicSphereDistancePairScore class."""
9786 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9788 def __init__(self, *args):
9790 __init__(HarmonicSphereDistancePairScore self, double x0, double k, std::string name="HarmonicSphereDistancePairScore%1%") -> HarmonicSphereDistancePairScore
9791 __init__(HarmonicSphereDistancePairScore self) -> HarmonicSphereDistancePairScore
9793 _IMP_core.HarmonicSphereDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSphereDistancePairScore(*args))
9795 def do_get_inputs(self, m, pis):
9796 r"""do_get_inputs(HarmonicSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9797 return _IMP_core.HarmonicSphereDistancePairScore_do_get_inputs(self, m, pis)
9799 def get_score_functor(self, *args):
9801 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore
9802 get_score_functor(HarmonicSphereDistancePairScore self) -> IMP::core::HarmonicSphereDistanceScore const &
9804 return _IMP_core.HarmonicSphereDistancePairScore_get_score_functor(self, *args)
9807 r"""get_x0(HarmonicSphereDistancePairScore self) -> double"""
9808 return _IMP_core.HarmonicSphereDistancePairScore_get_x0(self)
9811 r"""get_k(HarmonicSphereDistancePairScore self) -> double"""
9812 return _IMP_core.HarmonicSphereDistancePairScore_get_k(self)
9814 def get_version_info(self):
9815 r"""get_version_info(HarmonicSphereDistancePairScore self) -> VersionInfo"""
9816 return _IMP_core.HarmonicSphereDistancePairScore_get_version_info(self)
9817 __swig_destroy__ = _IMP_core.delete_HarmonicSphereDistancePairScore
9820 r"""__str__(HarmonicSphereDistancePairScore self) -> std::string"""
9821 return _IMP_core.HarmonicSphereDistancePairScore___str__(self)
9824 r"""__repr__(HarmonicSphereDistancePairScore self) -> std::string"""
9825 return _IMP_core.HarmonicSphereDistancePairScore___repr__(self)
9829 return _object_cast_to_HarmonicSphereDistancePairScore(o)
9832 def _get_as_binary(self):
9833 r"""_get_as_binary(HarmonicSphereDistancePairScore self) -> PyObject *"""
9834 return _IMP_core.HarmonicSphereDistancePairScore__get_as_binary(self)
9836 def _set_from_binary(self, p):
9837 r"""_set_from_binary(HarmonicSphereDistancePairScore self, PyObject * p)"""
9838 return _IMP_core.HarmonicSphereDistancePairScore__set_from_binary(self, p)
9840 def __getstate__(self):
9841 p = self._get_as_binary()
9842 if len(self.__dict__) > 1:
9843 d = self.__dict__.copy()
9848 def __setstate__(self, p):
9849 if not hasattr(self,
'this'):
9851 if isinstance(p, tuple):
9853 self.__dict__.update(d)
9854 return self._set_from_binary(p)
9857 def _get_jax(self, m, indexes):
9858 import jax.numpy
as jnp
9859 def jax_score(jm, d, k):
9860 xyzs = jm[
'xyz'][indexes]
9861 rs = jm[
'r'][indexes]
9862 diff = xyzs[:,0] - xyzs[:,1]
9863 drs = jnp.linalg.norm(diff, axis=1) - rs.sum(axis=1)
9864 return 0.5 * k * (d - drs)**2
9865 f = functools.partial(jax_score, d=self.get_x0(), k=self.get_k())
9866 return self._wrap_jax(m, f)
9870 _IMP_core.HarmonicSphereDistancePairScore_swigregister(HarmonicSphereDistancePairScore)
9872 r"""Proxy of C++ IMP::core::NormalizedSphereDistancePairScore class."""
9874 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9876 def __init__(self, *args):
9877 r"""__init__(NormalizedSphereDistancePairScore self, UnaryFunction f, FloatKey radius=IMP::FloatKey("radius")) -> NormalizedSphereDistancePairScore"""
9878 _IMP_core.NormalizedSphereDistancePairScore_swiginit(self, _IMP_core.new_NormalizedSphereDistancePairScore(*args))
9880 def do_get_inputs(self, m, pis):
9881 r"""do_get_inputs(NormalizedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9882 return _IMP_core.NormalizedSphereDistancePairScore_do_get_inputs(self, m, pis)
9884 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
9885 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"""
9886 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
9888 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
9889 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"""
9890 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
9892 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
9893 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"""
9894 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
9896 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9897 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"""
9898 return _IMP_core.NormalizedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
9900 def get_version_info(self):
9901 r"""get_version_info(NormalizedSphereDistancePairScore self) -> VersionInfo"""
9902 return _IMP_core.NormalizedSphereDistancePairScore_get_version_info(self)
9903 __swig_destroy__ = _IMP_core.delete_NormalizedSphereDistancePairScore
9906 r"""__str__(NormalizedSphereDistancePairScore self) -> std::string"""
9907 return _IMP_core.NormalizedSphereDistancePairScore___str__(self)
9910 r"""__repr__(NormalizedSphereDistancePairScore self) -> std::string"""
9911 return _IMP_core.NormalizedSphereDistancePairScore___repr__(self)
9915 return _object_cast_to_NormalizedSphereDistancePairScore(o)
9919 _IMP_core.NormalizedSphereDistancePairScore_swigregister(NormalizedSphereDistancePairScore)
9921 r"""Proxy of C++ IMP::core::WeightedSphereDistancePairScore class."""
9923 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9925 def __init__(self, *args):
9926 r"""__init__(WeightedSphereDistancePairScore self, UnaryFunction f, FloatKey weight, FloatKey radius=IMP::FloatKey("radius")) -> WeightedSphereDistancePairScore"""
9927 _IMP_core.WeightedSphereDistancePairScore_swiginit(self, _IMP_core.new_WeightedSphereDistancePairScore(*args))
9929 def do_get_inputs(self, m, pis):
9930 r"""do_get_inputs(WeightedSphereDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9931 return _IMP_core.WeightedSphereDistancePairScore_do_get_inputs(self, m, pis)
9933 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
9934 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"""
9935 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
9937 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
9938 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"""
9939 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
9941 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
9942 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"""
9943 return _IMP_core.WeightedSphereDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
9945 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
9946 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"""
9947 return _IMP_core.WeightedSphereDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
9949 def get_version_info(self):
9950 r"""get_version_info(WeightedSphereDistancePairScore self) -> VersionInfo"""
9951 return _IMP_core.WeightedSphereDistancePairScore_get_version_info(self)
9952 __swig_destroy__ = _IMP_core.delete_WeightedSphereDistancePairScore
9955 r"""__str__(WeightedSphereDistancePairScore self) -> std::string"""
9956 return _IMP_core.WeightedSphereDistancePairScore___str__(self)
9959 r"""__repr__(WeightedSphereDistancePairScore self) -> std::string"""
9960 return _IMP_core.WeightedSphereDistancePairScore___repr__(self)
9964 return _object_cast_to_WeightedSphereDistancePairScore(o)
9968 _IMP_core.WeightedSphereDistancePairScore_swigregister(WeightedSphereDistancePairScore)
9970 r"""Proxy of C++ IMP::core::SoftSpherePairScore class."""
9972 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
9974 def __init__(self, *args):
9976 __init__(SoftSpherePairScore self, double k, std::string name="SoftSpherePairScore%1%") -> SoftSpherePairScore
9977 __init__(SoftSpherePairScore self) -> SoftSpherePairScore
9979 _IMP_core.SoftSpherePairScore_swiginit(self, _IMP_core.new_SoftSpherePairScore(*args))
9981 def do_get_inputs(self, m, pis):
9982 r"""do_get_inputs(SoftSpherePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
9983 return _IMP_core.SoftSpherePairScore_do_get_inputs(self, m, pis)
9985 def get_score_functor(self, *args):
9987 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore
9988 get_score_functor(SoftSpherePairScore self) -> IMP::core::SoftSphereDistanceScore const &
9990 return _IMP_core.SoftSpherePairScore_get_score_functor(self, *args)
9992 def get_version_info(self):
9993 r"""get_version_info(SoftSpherePairScore self) -> VersionInfo"""
9994 return _IMP_core.SoftSpherePairScore_get_version_info(self)
9995 __swig_destroy__ = _IMP_core.delete_SoftSpherePairScore
9998 r"""__str__(SoftSpherePairScore self) -> std::string"""
9999 return _IMP_core.SoftSpherePairScore___str__(self)
10001 def __repr__(self):
10002 r"""__repr__(SoftSpherePairScore self) -> std::string"""
10003 return _IMP_core.SoftSpherePairScore___repr__(self)
10007 return _object_cast_to_SoftSpherePairScore(o)
10010 def _get_as_binary(self):
10011 r"""_get_as_binary(SoftSpherePairScore self) -> PyObject *"""
10012 return _IMP_core.SoftSpherePairScore__get_as_binary(self)
10014 def _set_from_binary(self, p):
10015 r"""_set_from_binary(SoftSpherePairScore self, PyObject * p)"""
10016 return _IMP_core.SoftSpherePairScore__set_from_binary(self, p)
10018 def __getstate__(self):
10019 p = self._get_as_binary()
10020 if len(self.__dict__) > 1:
10021 d = self.__dict__.copy()
10026 def __setstate__(self, p):
10027 if not hasattr(self,
'this'):
10029 if isinstance(p, tuple):
10031 self.__dict__.update(d)
10032 return self._set_from_binary(p)
10036 _IMP_core.SoftSpherePairScore_swigregister(SoftSpherePairScore)
10038 r"""Proxy of C++ IMP::core::SurfaceDistancePairScore class."""
10040 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10042 def __init__(self, *args):
10043 r"""__init__(SurfaceDistancePairScore self, UnaryFunction uf, std::string name="SurfaceDistancePairScore%1%") -> SurfaceDistancePairScore"""
10044 _IMP_core.SurfaceDistancePairScore_swiginit(self, _IMP_core.new_SurfaceDistancePairScore(*args))
10046 def do_get_inputs(self, m, pis):
10047 r"""do_get_inputs(SurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10048 return _IMP_core.SurfaceDistancePairScore_do_get_inputs(self, m, pis)
10050 def get_version_info(self):
10051 r"""get_version_info(SurfaceDistancePairScore self) -> VersionInfo"""
10052 return _IMP_core.SurfaceDistancePairScore_get_version_info(self)
10053 __swig_destroy__ = _IMP_core.delete_SurfaceDistancePairScore
10056 r"""__str__(SurfaceDistancePairScore self) -> std::string"""
10057 return _IMP_core.SurfaceDistancePairScore___str__(self)
10059 def __repr__(self):
10060 r"""__repr__(SurfaceDistancePairScore self) -> std::string"""
10061 return _IMP_core.SurfaceDistancePairScore___repr__(self)
10065 return _object_cast_to_SurfaceDistancePairScore(o)
10069 _IMP_core.SurfaceDistancePairScore_swigregister(SurfaceDistancePairScore)
10071 r"""Proxy of C++ IMP::core::SurfaceHeightPairScore class."""
10073 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10075 def __init__(self, *args):
10076 r"""__init__(SurfaceHeightPairScore self, UnaryFunction uf, std::string name="SurfaceHeightPairScore%1%") -> SurfaceHeightPairScore"""
10077 _IMP_core.SurfaceHeightPairScore_swiginit(self, _IMP_core.new_SurfaceHeightPairScore(*args))
10079 def do_get_inputs(self, m, pis):
10080 r"""do_get_inputs(SurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10081 return _IMP_core.SurfaceHeightPairScore_do_get_inputs(self, m, pis)
10083 def get_version_info(self):
10084 r"""get_version_info(SurfaceHeightPairScore self) -> VersionInfo"""
10085 return _IMP_core.SurfaceHeightPairScore_get_version_info(self)
10086 __swig_destroy__ = _IMP_core.delete_SurfaceHeightPairScore
10089 r"""__str__(SurfaceHeightPairScore self) -> std::string"""
10090 return _IMP_core.SurfaceHeightPairScore___str__(self)
10092 def __repr__(self):
10093 r"""__repr__(SurfaceHeightPairScore self) -> std::string"""
10094 return _IMP_core.SurfaceHeightPairScore___repr__(self)
10098 return _object_cast_to_SurfaceHeightPairScore(o)
10102 _IMP_core.SurfaceHeightPairScore_swigregister(SurfaceHeightPairScore)
10104 r"""Proxy of C++ IMP::core::SurfaceDepthPairScore class."""
10106 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10108 def __init__(self, *args):
10109 r"""__init__(SurfaceDepthPairScore self, UnaryFunction uf, std::string name="SurfaceDepthPairScore%1%") -> SurfaceDepthPairScore"""
10110 _IMP_core.SurfaceDepthPairScore_swiginit(self, _IMP_core.new_SurfaceDepthPairScore(*args))
10112 def do_get_inputs(self, m, pis):
10113 r"""do_get_inputs(SurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10114 return _IMP_core.SurfaceDepthPairScore_do_get_inputs(self, m, pis)
10116 def get_version_info(self):
10117 r"""get_version_info(SurfaceDepthPairScore self) -> VersionInfo"""
10118 return _IMP_core.SurfaceDepthPairScore_get_version_info(self)
10119 __swig_destroy__ = _IMP_core.delete_SurfaceDepthPairScore
10122 r"""__str__(SurfaceDepthPairScore self) -> std::string"""
10123 return _IMP_core.SurfaceDepthPairScore___str__(self)
10125 def __repr__(self):
10126 r"""__repr__(SurfaceDepthPairScore self) -> std::string"""
10127 return _IMP_core.SurfaceDepthPairScore___repr__(self)
10131 return _object_cast_to_SurfaceDepthPairScore(o)
10135 _IMP_core.SurfaceDepthPairScore_swigregister(SurfaceDepthPairScore)
10137 r"""Proxy of C++ IMP::core::HarmonicSurfaceDistancePairScore class."""
10139 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10141 def __init__(self, *args):
10142 r"""__init__(HarmonicSurfaceDistancePairScore self, double x0, double k, std::string name="HarmonicSurfaceDistancePairScore%1%") -> HarmonicSurfaceDistancePairScore"""
10143 _IMP_core.HarmonicSurfaceDistancePairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDistancePairScore(*args))
10145 def do_get_inputs(self, m, pis):
10146 r"""do_get_inputs(HarmonicSurfaceDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10147 return _IMP_core.HarmonicSurfaceDistancePairScore_do_get_inputs(self, m, pis)
10149 def get_version_info(self):
10150 r"""get_version_info(HarmonicSurfaceDistancePairScore self) -> VersionInfo"""
10151 return _IMP_core.HarmonicSurfaceDistancePairScore_get_version_info(self)
10152 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDistancePairScore
10155 r"""__str__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10156 return _IMP_core.HarmonicSurfaceDistancePairScore___str__(self)
10158 def __repr__(self):
10159 r"""__repr__(HarmonicSurfaceDistancePairScore self) -> std::string"""
10160 return _IMP_core.HarmonicSurfaceDistancePairScore___repr__(self)
10164 return _object_cast_to_HarmonicSurfaceDistancePairScore(o)
10168 _IMP_core.HarmonicSurfaceDistancePairScore_swigregister(HarmonicSurfaceDistancePairScore)
10170 r"""Proxy of C++ IMP::core::HarmonicSurfaceHeightPairScore class."""
10172 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10174 def __init__(self, *args):
10175 r"""__init__(HarmonicSurfaceHeightPairScore self, double x0, double k, std::string name="HarmonicSurfaceHeightPairScore%1%") -> HarmonicSurfaceHeightPairScore"""
10176 _IMP_core.HarmonicSurfaceHeightPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceHeightPairScore(*args))
10178 def do_get_inputs(self, m, pis):
10179 r"""do_get_inputs(HarmonicSurfaceHeightPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10180 return _IMP_core.HarmonicSurfaceHeightPairScore_do_get_inputs(self, m, pis)
10182 def get_version_info(self):
10183 r"""get_version_info(HarmonicSurfaceHeightPairScore self) -> VersionInfo"""
10184 return _IMP_core.HarmonicSurfaceHeightPairScore_get_version_info(self)
10185 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceHeightPairScore
10188 r"""__str__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10189 return _IMP_core.HarmonicSurfaceHeightPairScore___str__(self)
10191 def __repr__(self):
10192 r"""__repr__(HarmonicSurfaceHeightPairScore self) -> std::string"""
10193 return _IMP_core.HarmonicSurfaceHeightPairScore___repr__(self)
10197 return _object_cast_to_HarmonicSurfaceHeightPairScore(o)
10201 _IMP_core.HarmonicSurfaceHeightPairScore_swigregister(HarmonicSurfaceHeightPairScore)
10203 r"""Proxy of C++ IMP::core::HarmonicSurfaceDepthPairScore class."""
10205 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10207 def __init__(self, *args):
10208 r"""__init__(HarmonicSurfaceDepthPairScore self, double x0, double k, std::string name="HarmonicSurfaceDepthPairScore%1%") -> HarmonicSurfaceDepthPairScore"""
10209 _IMP_core.HarmonicSurfaceDepthPairScore_swiginit(self, _IMP_core.new_HarmonicSurfaceDepthPairScore(*args))
10211 def do_get_inputs(self, m, pis):
10212 r"""do_get_inputs(HarmonicSurfaceDepthPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10213 return _IMP_core.HarmonicSurfaceDepthPairScore_do_get_inputs(self, m, pis)
10215 def get_version_info(self):
10216 r"""get_version_info(HarmonicSurfaceDepthPairScore self) -> VersionInfo"""
10217 return _IMP_core.HarmonicSurfaceDepthPairScore_get_version_info(self)
10218 __swig_destroy__ = _IMP_core.delete_HarmonicSurfaceDepthPairScore
10221 r"""__str__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10222 return _IMP_core.HarmonicSurfaceDepthPairScore___str__(self)
10224 def __repr__(self):
10225 r"""__repr__(HarmonicSurfaceDepthPairScore self) -> std::string"""
10226 return _IMP_core.HarmonicSurfaceDepthPairScore___repr__(self)
10230 return _object_cast_to_HarmonicSurfaceDepthPairScore(o)
10234 _IMP_core.HarmonicSurfaceDepthPairScore_swigregister(HarmonicSurfaceDepthPairScore)
10236 r"""Proxy of C++ IMP::core::SoftSuperSurfacePairScore class."""
10238 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10240 def __init__(self, *args):
10241 r"""__init__(SoftSuperSurfacePairScore self, double k, std::string name="SoftSuperSurfacePairScore%1%") -> SoftSuperSurfacePairScore"""
10242 _IMP_core.SoftSuperSurfacePairScore_swiginit(self, _IMP_core.new_SoftSuperSurfacePairScore(*args))
10244 def do_get_inputs(self, m, pis):
10245 r"""do_get_inputs(SoftSuperSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10246 return _IMP_core.SoftSuperSurfacePairScore_do_get_inputs(self, m, pis)
10248 def get_version_info(self):
10249 r"""get_version_info(SoftSuperSurfacePairScore self) -> VersionInfo"""
10250 return _IMP_core.SoftSuperSurfacePairScore_get_version_info(self)
10251 __swig_destroy__ = _IMP_core.delete_SoftSuperSurfacePairScore
10254 r"""__str__(SoftSuperSurfacePairScore self) -> std::string"""
10255 return _IMP_core.SoftSuperSurfacePairScore___str__(self)
10257 def __repr__(self):
10258 r"""__repr__(SoftSuperSurfacePairScore self) -> std::string"""
10259 return _IMP_core.SoftSuperSurfacePairScore___repr__(self)
10263 return _object_cast_to_SoftSuperSurfacePairScore(o)
10267 _IMP_core.SoftSuperSurfacePairScore_swigregister(SoftSuperSurfacePairScore)
10269 r"""Proxy of C++ IMP::core::SoftSubSurfacePairScore class."""
10271 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10273 def __init__(self, *args):
10274 r"""__init__(SoftSubSurfacePairScore self, double k, std::string name="SoftSubSurfacePairScore%1%") -> SoftSubSurfacePairScore"""
10275 _IMP_core.SoftSubSurfacePairScore_swiginit(self, _IMP_core.new_SoftSubSurfacePairScore(*args))
10277 def do_get_inputs(self, m, pis):
10278 r"""do_get_inputs(SoftSubSurfacePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10279 return _IMP_core.SoftSubSurfacePairScore_do_get_inputs(self, m, pis)
10281 def get_version_info(self):
10282 r"""get_version_info(SoftSubSurfacePairScore self) -> VersionInfo"""
10283 return _IMP_core.SoftSubSurfacePairScore_get_version_info(self)
10284 __swig_destroy__ = _IMP_core.delete_SoftSubSurfacePairScore
10287 r"""__str__(SoftSubSurfacePairScore self) -> std::string"""
10288 return _IMP_core.SoftSubSurfacePairScore___str__(self)
10290 def __repr__(self):
10291 r"""__repr__(SoftSubSurfacePairScore self) -> std::string"""
10292 return _IMP_core.SoftSubSurfacePairScore___repr__(self)
10296 return _object_cast_to_SoftSubSurfacePairScore(o)
10300 _IMP_core.SoftSubSurfacePairScore_swigregister(SoftSubSurfacePairScore)
10302 r"""Proxy of C++ IMP::core::SurfaceTetheredChain class."""
10304 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10306 def __init__(self, link_num, link_length):
10307 r"""__init__(SurfaceTetheredChain self, int link_num, double link_length) -> SurfaceTetheredChain"""
10308 _IMP_core.SurfaceTetheredChain_swiginit(self, _IMP_core.new_SurfaceTetheredChain(link_num, link_length))
10310 def get_version_info(self):
10311 r"""get_version_info(SurfaceTetheredChain self) -> VersionInfo"""
10312 return _IMP_core.SurfaceTetheredChain_get_version_info(self)
10313 __swig_destroy__ = _IMP_core.delete_SurfaceTetheredChain
10315 def get_link_number(self):
10316 r"""get_link_number(SurfaceTetheredChain self) -> int"""
10317 return _IMP_core.SurfaceTetheredChain_get_link_number(self)
10319 def get_link_length(self):
10320 r"""get_link_length(SurfaceTetheredChain self) -> double"""
10321 return _IMP_core.SurfaceTetheredChain_get_link_length(self)
10323 def set_link_number(self, N):
10324 r"""set_link_number(SurfaceTetheredChain self, int N)"""
10325 return _IMP_core.SurfaceTetheredChain_set_link_number(self, N)
10327 def set_link_length(self, b):
10328 r"""set_link_length(SurfaceTetheredChain self, double b)"""
10329 return _IMP_core.SurfaceTetheredChain_set_link_length(self, b)
10331 def get_distance_at_minimum(self):
10332 r"""get_distance_at_minimum(SurfaceTetheredChain self) -> double"""
10333 return _IMP_core.SurfaceTetheredChain_get_distance_at_minimum(self)
10335 def get_average_distance(self):
10336 r"""get_average_distance(SurfaceTetheredChain self) -> double"""
10337 return _IMP_core.SurfaceTetheredChain_get_average_distance(self)
10340 r"""__str__(SurfaceTetheredChain self) -> std::string"""
10341 return _IMP_core.SurfaceTetheredChain___str__(self)
10343 def __repr__(self):
10344 r"""__repr__(SurfaceTetheredChain self) -> std::string"""
10345 return _IMP_core.SurfaceTetheredChain___repr__(self)
10349 return _object_cast_to_SurfaceTetheredChain(o)
10353 _IMP_core.SurfaceTetheredChain_swigregister(SurfaceTetheredChain)
10355 r"""Proxy of C++ IMP::core::SurfaceSymmetryConstraint class."""
10357 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10359 def __init__(self, m, ss, rbs):
10360 r"""__init__(SurfaceSymmetryConstraint self, Model m, IMP::ParticleIndexPair const & ss, IMP::ParticleIndexPair const & rbs) -> SurfaceSymmetryConstraint"""
10361 _IMP_core.SurfaceSymmetryConstraint_swiginit(self, _IMP_core.new_SurfaceSymmetryConstraint(m, ss, rbs))
10363 def do_get_inputs(self):
10364 r"""do_get_inputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10365 return _IMP_core.SurfaceSymmetryConstraint_do_get_inputs(self)
10367 def do_get_outputs(self):
10368 r"""do_get_outputs(SurfaceSymmetryConstraint self) -> IMP::ModelObjectsTemp"""
10369 return _IMP_core.SurfaceSymmetryConstraint_do_get_outputs(self)
10371 def get_version_info(self):
10372 r"""get_version_info(SurfaceSymmetryConstraint self) -> VersionInfo"""
10373 return _IMP_core.SurfaceSymmetryConstraint_get_version_info(self)
10374 __swig_destroy__ = _IMP_core.delete_SurfaceSymmetryConstraint
10377 r"""__str__(SurfaceSymmetryConstraint self) -> std::string"""
10378 return _IMP_core.SurfaceSymmetryConstraint___str__(self)
10380 def __repr__(self):
10381 r"""__repr__(SurfaceSymmetryConstraint self) -> std::string"""
10382 return _IMP_core.SurfaceSymmetryConstraint___repr__(self)
10386 return _object_cast_to_SurfaceSymmetryConstraint(o)
10390 _IMP_core.SurfaceSymmetryConstraint_swigregister(SurfaceSymmetryConstraint)
10392 r"""Proxy of C++ IMP::core::SteepestDescent class."""
10394 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10396 def __init__(self, *args):
10397 r"""__init__(SteepestDescent self, Model m, std::string name="SteepestDescent%1%") -> SteepestDescent"""
10398 _IMP_core.SteepestDescent_swiginit(self, _IMP_core.new_SteepestDescent(*args))
10400 def do_optimize(self, max_steps):
10401 r"""do_optimize(SteepestDescent self, unsigned int max_steps) -> IMP::Float"""
10402 return _IMP_core.SteepestDescent_do_optimize(self, max_steps)
10404 def get_version_info(self):
10405 r"""get_version_info(SteepestDescent self) -> VersionInfo"""
10406 return _IMP_core.SteepestDescent_get_version_info(self)
10407 __swig_destroy__ = _IMP_core.delete_SteepestDescent
10409 def set_threshold(self, t):
10410 r"""set_threshold(SteepestDescent self, IMP::Float t)"""
10411 return _IMP_core.SteepestDescent_set_threshold(self, t)
10413 def set_step_size(self, t):
10414 r"""set_step_size(SteepestDescent self, IMP::Float t)"""
10415 return _IMP_core.SteepestDescent_set_step_size(self, t)
10417 def set_maximum_step_size(self, t):
10418 r"""set_maximum_step_size(SteepestDescent self, IMP::Float t)"""
10419 return _IMP_core.SteepestDescent_set_maximum_step_size(self, t)
10422 r"""__str__(SteepestDescent self) -> std::string"""
10423 return _IMP_core.SteepestDescent___str__(self)
10425 def __repr__(self):
10426 r"""__repr__(SteepestDescent self) -> std::string"""
10427 return _IMP_core.SteepestDescent___repr__(self)
10431 return _object_cast_to_SteepestDescent(o)
10435 _IMP_core.SteepestDescent_swigregister(SteepestDescent)
10437 r"""Proxy of C++ IMP::core::TransformedDistancePairScore class."""
10439 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10441 def __init__(self, f, transformation):
10442 r"""__init__(TransformedDistancePairScore self, UnaryFunction f, Transformation3D transformation) -> TransformedDistancePairScore"""
10443 _IMP_core.TransformedDistancePairScore_swiginit(self, _IMP_core.new_TransformedDistancePairScore(f, transformation))
10445 def set_transformation(self, rot):
10446 r"""set_transformation(TransformedDistancePairScore self, Transformation3D rot)"""
10447 return _IMP_core.TransformedDistancePairScore_set_transformation(self, rot)
10449 def do_get_inputs(self, m, pis):
10450 r"""do_get_inputs(TransformedDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10451 return _IMP_core.TransformedDistancePairScore_do_get_inputs(self, m, pis)
10453 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10454 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"""
10455 return _IMP_core.TransformedDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10457 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10458 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"""
10459 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10461 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10462 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"""
10463 return _IMP_core.TransformedDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10465 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10466 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"""
10467 return _IMP_core.TransformedDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10469 def get_version_info(self):
10470 r"""get_version_info(TransformedDistancePairScore self) -> VersionInfo"""
10471 return _IMP_core.TransformedDistancePairScore_get_version_info(self)
10472 __swig_destroy__ = _IMP_core.delete_TransformedDistancePairScore
10475 r"""__str__(TransformedDistancePairScore self) -> std::string"""
10476 return _IMP_core.TransformedDistancePairScore___str__(self)
10478 def __repr__(self):
10479 r"""__repr__(TransformedDistancePairScore self) -> std::string"""
10480 return _IMP_core.TransformedDistancePairScore___repr__(self)
10484 return _object_cast_to_TransformedDistancePairScore(o)
10488 _IMP_core.TransformedDistancePairScore_swigregister(TransformedDistancePairScore)
10490 r"""Proxy of C++ IMP::core::TypedPairScore class."""
10492 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10494 def __init__(self, typekey, allow_invalid_types=True):
10495 r"""__init__(TypedPairScore self, IntKey typekey, bool allow_invalid_types=True) -> TypedPairScore"""
10496 _IMP_core.TypedPairScore_swiginit(self, _IMP_core.new_TypedPairScore(typekey, allow_invalid_types))
10498 def set_particle_type(self, arg2):
10499 r"""set_particle_type(TypedPairScore self, Particle arg2)"""
10500 return _IMP_core.TypedPairScore_set_particle_type(self, arg2)
10502 def set_pair_score(self, ps, atype, btype):
10503 r"""set_pair_score(TypedPairScore self, PairScore ps, IMP::Int atype, IMP::Int btype)"""
10504 return _IMP_core.TypedPairScore_set_pair_score(self, ps, atype, btype)
10506 def do_get_inputs(self, m, pis):
10507 r"""do_get_inputs(TypedPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10508 return _IMP_core.TypedPairScore_do_get_inputs(self, m, pis)
10510 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10511 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"""
10512 return _IMP_core.TypedPairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10514 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10515 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"""
10516 return _IMP_core.TypedPairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10518 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10519 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"""
10520 return _IMP_core.TypedPairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10522 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10523 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"""
10524 return _IMP_core.TypedPairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10526 def get_version_info(self):
10527 r"""get_version_info(TypedPairScore self) -> VersionInfo"""
10528 return _IMP_core.TypedPairScore_get_version_info(self)
10529 __swig_destroy__ = _IMP_core.delete_TypedPairScore
10532 r"""__str__(TypedPairScore self) -> std::string"""
10533 return _IMP_core.TypedPairScore___str__(self)
10535 def __repr__(self):
10536 r"""__repr__(TypedPairScore self) -> std::string"""
10537 return _IMP_core.TypedPairScore___repr__(self)
10541 return _object_cast_to_TypedPairScore(o)
10545 _IMP_core.TypedPairScore_swigregister(TypedPairScore)
10546 class RigidBodyDistancePairScore(KClosePairsPairScore):
10547 r"""Proxy of C++ IMP::core::RigidBodyDistancePairScore class."""
10549 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10551 def __init__(self, ps, r):
10552 r"""__init__(RigidBodyDistancePairScore self, PairScore ps, Refiner r) -> RigidBodyDistancePairScore"""
10553 _IMP_core.RigidBodyDistancePairScore_swiginit(self, _IMP_core.new_RigidBodyDistancePairScore(ps, r))
10556 r"""__str__(RigidBodyDistancePairScore self) -> std::string"""
10557 return _IMP_core.RigidBodyDistancePairScore___str__(self)
10559 def __repr__(self):
10560 r"""__repr__(RigidBodyDistancePairScore self) -> std::string"""
10561 return _IMP_core.RigidBodyDistancePairScore___repr__(self)
10565 return _object_cast_to_RigidBodyDistancePairScore(o)
10567 __swig_destroy__ = _IMP_core.delete_RigidBodyDistancePairScore
10570 _IMP_core.RigidBodyDistancePairScore_swigregister(RigidBodyDistancePairScore)
10572 r"""Proxy of C++ IMP::core::RigidBodyAnglePairScore class."""
10574 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10576 def __init__(self, f):
10577 r"""__init__(RigidBodyAnglePairScore self, UnaryFunction f) -> RigidBodyAnglePairScore"""
10578 _IMP_core.RigidBodyAnglePairScore_swiginit(self, _IMP_core.new_RigidBodyAnglePairScore(f))
10580 def do_get_inputs(self, m, pis):
10581 r"""do_get_inputs(RigidBodyAnglePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10582 return _IMP_core.RigidBodyAnglePairScore_do_get_inputs(self, m, pis)
10584 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
10585 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"""
10586 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
10588 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
10589 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"""
10590 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
10592 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
10593 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"""
10594 return _IMP_core.RigidBodyAnglePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
10596 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
10597 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"""
10598 return _IMP_core.RigidBodyAnglePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
10600 def get_version_info(self):
10601 r"""get_version_info(RigidBodyAnglePairScore self) -> VersionInfo"""
10602 return _IMP_core.RigidBodyAnglePairScore_get_version_info(self)
10603 __swig_destroy__ = _IMP_core.delete_RigidBodyAnglePairScore
10606 r"""__str__(RigidBodyAnglePairScore self) -> std::string"""
10607 return _IMP_core.RigidBodyAnglePairScore___str__(self)
10609 def __repr__(self):
10610 r"""__repr__(RigidBodyAnglePairScore self) -> std::string"""
10611 return _IMP_core.RigidBodyAnglePairScore___repr__(self)
10615 return _object_cast_to_RigidBodyAnglePairScore(o)
10619 _IMP_core.RigidBodyAnglePairScore_swigregister(RigidBodyAnglePairScore)
10621 r"""Proxy of C++ IMP::core::TableRefiner class."""
10623 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10625 def __init__(self):
10626 r"""__init__(TableRefiner self) -> TableRefiner"""
10627 _IMP_core.TableRefiner_swiginit(self, _IMP_core.new_TableRefiner())
10630 r"""add_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
10631 return _IMP_core.TableRefiner_add_particle(self, p, ps)
10633 def remove_particle(self, p):
10634 r"""remove_particle(TableRefiner self, Particle p)"""
10635 return _IMP_core.TableRefiner_remove_particle(self, p)
10637 def set_particle(self, p, ps):
10638 r"""set_particle(TableRefiner self, Particle p, IMP::ParticlesTemp const & ps)"""
10639 return _IMP_core.TableRefiner_set_particle(self, p, ps)
10641 def do_get_inputs(self, m, pis):
10642 r"""do_get_inputs(TableRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
10643 return _IMP_core.TableRefiner_do_get_inputs(self, m, pis)
10645 def get_version_info(self):
10646 r"""get_version_info(TableRefiner self) -> VersionInfo"""
10647 return _IMP_core.TableRefiner_get_version_info(self)
10648 __swig_destroy__ = _IMP_core.delete_TableRefiner
10651 r"""__str__(TableRefiner self) -> std::string"""
10652 return _IMP_core.TableRefiner___str__(self)
10654 def __repr__(self):
10655 r"""__repr__(TableRefiner self) -> std::string"""
10656 return _IMP_core.TableRefiner___repr__(self)
10660 return _object_cast_to_TableRefiner(o)
10664 _IMP_core.TableRefiner_swigregister(TableRefiner)
10665 LOWER = _IMP_core.LOWER
10667 BOTH = _IMP_core.BOTH
10669 UPPER = _IMP_core.UPPER
10672 r"""Proxy of C++ IMP::core::MCCGSampler class."""
10674 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10676 def __init__(self, *args):
10677 r"""__init__(MCCGSampler self, Model m, std::string name="MCCG Sampler %1%") -> MCCGSampler"""
10678 _IMP_core.MCCGSampler_swiginit(self, _IMP_core.new_MCCGSampler(*args))
10680 def set_bounding_box(self, bb):
10681 r"""set_bounding_box(MCCGSampler self, BoundingBox3D bb)"""
10682 return _IMP_core.MCCGSampler_set_bounding_box(self, bb)
10684 def set_number_of_attempts(self, att):
10685 r"""set_number_of_attempts(MCCGSampler self, unsigned int att)"""
10686 return _IMP_core.MCCGSampler_set_number_of_attempts(self, att)
10688 def set_number_of_monte_carlo_steps(self, cg):
10689 r"""set_number_of_monte_carlo_steps(MCCGSampler self, unsigned int cg)"""
10690 return _IMP_core.MCCGSampler_set_number_of_monte_carlo_steps(self, cg)
10692 def set_number_of_conjugate_gradient_steps(self, cg):
10693 r"""set_number_of_conjugate_gradient_steps(MCCGSampler self, unsigned int cg)"""
10694 return _IMP_core.MCCGSampler_set_number_of_conjugate_gradient_steps(self, cg)
10696 def set_max_monte_carlo_step_size(self, *args):
10698 set_max_monte_carlo_step_size(MCCGSampler self, double d)
10699 set_max_monte_carlo_step_size(MCCGSampler self, FloatKey k, double d)
10701 return _IMP_core.MCCGSampler_set_max_monte_carlo_step_size(self, *args)
10703 def set_is_refining(self, tf):
10704 r"""set_is_refining(MCCGSampler self, bool tf)"""
10705 return _IMP_core.MCCGSampler_set_is_refining(self, tf)
10707 def set_local_optimizer(self, opt):
10708 r"""set_local_optimizer(MCCGSampler self, Optimizer opt)"""
10709 return _IMP_core.MCCGSampler_set_local_optimizer(self, opt)
10711 def set_save_rejected_configurations(self, tf):
10712 r"""set_save_rejected_configurations(MCCGSampler self, bool tf)"""
10713 return _IMP_core.MCCGSampler_set_save_rejected_configurations(self, tf)
10715 def get_rejected_configurations(self):
10716 r"""get_rejected_configurations(MCCGSampler self) -> ConfigurationSet"""
10717 return _IMP_core.MCCGSampler_get_rejected_configurations(self)
10718 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)
10719 def __set_optimizer_states(self, obj): IMP._list_util.set_varlist(self.optimizer_states, obj)
10720 def __del_optimizer_states(self): IMP._list_util.del_varlist(self.optimizer_states)
10721 optimizer_states = property(__get_optimizer_states, __set_optimizer_states, __del_optimizer_states, doc=
"List of ##ucnames")
10723 def remove_optimizer_state(self, d):
10724 r"""remove_optimizer_state(MCCGSampler self, OptimizerState d)"""
10725 return _IMP_core.MCCGSampler_remove_optimizer_state(self, d)
10727 def _python_index_optimizer_state(self, d, start, stop):
10728 r"""_python_index_optimizer_state(MCCGSampler self, OptimizerState d, unsigned int start, unsigned int stop) -> unsigned int"""
10729 return _IMP_core.MCCGSampler__python_index_optimizer_state(self, d, start, stop)
10731 def remove_optimizer_states(self, d):
10732 r"""remove_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & d)"""
10733 return _IMP_core.MCCGSampler_remove_optimizer_states(self, d)
10735 def set_optimizer_states(self, ps):
10736 r"""set_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & ps)"""
10737 return _IMP_core.MCCGSampler_set_optimizer_states(self, ps)
10739 def set_optimizer_states_order(self, objs):
10740 r"""set_optimizer_states_order(MCCGSampler self, IMP::OptimizerStates const & objs)"""
10741 return _IMP_core.MCCGSampler_set_optimizer_states_order(self, objs)
10743 def add_optimizer_state(self, obj):
10744 r"""add_optimizer_state(MCCGSampler self, OptimizerState obj) -> unsigned int"""
10745 return _IMP_core.MCCGSampler_add_optimizer_state(self, obj)
10747 def add_optimizer_states(self, objs):
10748 r"""add_optimizer_states(MCCGSampler self, IMP::OptimizerStates const & objs)"""
10749 return _IMP_core.MCCGSampler_add_optimizer_states(self, objs)
10751 def clear_optimizer_states(self):
10752 r"""clear_optimizer_states(MCCGSampler self)"""
10753 return _IMP_core.MCCGSampler_clear_optimizer_states(self)
10755 def get_number_of_optimizer_states(self):
10756 r"""get_number_of_optimizer_states(MCCGSampler self) -> unsigned int"""
10757 return _IMP_core.MCCGSampler_get_number_of_optimizer_states(self)
10759 def get_has_optimizer_states(self):
10760 r"""get_has_optimizer_states(MCCGSampler self) -> bool"""
10761 return _IMP_core.MCCGSampler_get_has_optimizer_states(self)
10763 def get_optimizer_state(self, i):
10764 r"""get_optimizer_state(MCCGSampler self, unsigned int i) -> OptimizerState"""
10765 return _IMP_core.MCCGSampler_get_optimizer_state(self, i)
10767 def get_optimizer_states(self):
10768 r"""get_optimizer_states(MCCGSampler self) -> IMP::OptimizerStates"""
10769 return _IMP_core.MCCGSampler_get_optimizer_states(self)
10771 def erase_optimizer_state(self, i):
10772 r"""erase_optimizer_state(MCCGSampler self, unsigned int i)"""
10773 return _IMP_core.MCCGSampler_erase_optimizer_state(self, i)
10775 def reserve_optimizer_states(self, sz):
10776 r"""reserve_optimizer_states(MCCGSampler self, unsigned int sz)"""
10777 return _IMP_core.MCCGSampler_reserve_optimizer_states(self, sz)
10779 def do_sample(self):
10780 r"""do_sample(MCCGSampler self) -> ConfigurationSet"""
10781 return _IMP_core.MCCGSampler_do_sample(self)
10783 def get_version_info(self):
10784 r"""get_version_info(MCCGSampler self) -> VersionInfo"""
10785 return _IMP_core.MCCGSampler_get_version_info(self)
10786 __swig_destroy__ = _IMP_core.delete_MCCGSampler
10789 r"""__str__(MCCGSampler self) -> std::string"""
10790 return _IMP_core.MCCGSampler___str__(self)
10792 def __repr__(self):
10793 r"""__repr__(MCCGSampler self) -> std::string"""
10794 return _IMP_core.MCCGSampler___repr__(self)
10798 return _object_cast_to_MCCGSampler(o)
10802 _IMP_core.MCCGSampler_swigregister(MCCGSampler)
10804 r"""Proxy of C++ IMP::core::MinimumRestraint class."""
10806 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10808 def __init__(self, *args):
10809 r"""__init__(MinimumRestraint self, unsigned int num, IMP::Restraints const & rs=IMP::Restraints(), std::string name="MinimumRestraint %1%") -> MinimumRestraint"""
10810 _IMP_core.MinimumRestraint_swiginit(self, _IMP_core.new_MinimumRestraint(*args))
10812 def do_get_inputs(self):
10813 r"""do_get_inputs(MinimumRestraint self) -> IMP::ModelObjectsTemp"""
10814 return _IMP_core.MinimumRestraint_do_get_inputs(self)
10816 def get_version_info(self):
10817 r"""get_version_info(MinimumRestraint self) -> VersionInfo"""
10818 return _IMP_core.MinimumRestraint_get_version_info(self)
10819 __swig_destroy__ = _IMP_core.delete_MinimumRestraint
10820 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)
10821 def __set_restraints(self, obj): IMP._list_util.set_varlist(self.restraints, obj)
10822 def __del_restraints(self): IMP._list_util.del_varlist(self.restraints)
10823 restraints = property(__get_restraints, __set_restraints, __del_restraints, doc=
"List of ##ucnames")
10825 def remove_restraint(self, d):
10826 r"""remove_restraint(MinimumRestraint self, Restraint d)"""
10827 return _IMP_core.MinimumRestraint_remove_restraint(self, d)
10829 def _python_index_restraint(self, d, start, stop):
10830 r"""_python_index_restraint(MinimumRestraint self, Restraint d, unsigned int start, unsigned int stop) -> unsigned int"""
10831 return _IMP_core.MinimumRestraint__python_index_restraint(self, d, start, stop)
10833 def remove_restraints(self, d):
10834 r"""remove_restraints(MinimumRestraint self, IMP::Restraints const & d)"""
10835 return _IMP_core.MinimumRestraint_remove_restraints(self, d)
10837 def set_restraints(self, ps):
10838 r"""set_restraints(MinimumRestraint self, IMP::Restraints const & ps)"""
10839 return _IMP_core.MinimumRestraint_set_restraints(self, ps)
10841 def set_restraints_order(self, objs):
10842 r"""set_restraints_order(MinimumRestraint self, IMP::Restraints const & objs)"""
10843 return _IMP_core.MinimumRestraint_set_restraints_order(self, objs)
10846 r"""add_restraint(MinimumRestraint self, Restraint obj) -> unsigned int"""
10847 return _IMP_core.MinimumRestraint_add_restraint(self, obj)
10850 r"""add_restraints(MinimumRestraint self, IMP::Restraints const & objs)"""
10851 return _IMP_core.MinimumRestraint_add_restraints(self, objs)
10853 def clear_restraints(self):
10854 r"""clear_restraints(MinimumRestraint self)"""
10855 return _IMP_core.MinimumRestraint_clear_restraints(self)
10857 def get_number_of_restraints(self):
10858 r"""get_number_of_restraints(MinimumRestraint self) -> unsigned int"""
10859 return _IMP_core.MinimumRestraint_get_number_of_restraints(self)
10861 def get_has_restraints(self):
10862 r"""get_has_restraints(MinimumRestraint self) -> bool"""
10863 return _IMP_core.MinimumRestraint_get_has_restraints(self)
10865 def get_restraint(self, i):
10866 r"""get_restraint(MinimumRestraint self, unsigned int i) -> Restraint"""
10867 return _IMP_core.MinimumRestraint_get_restraint(self, i)
10869 def get_restraints(self):
10870 r"""get_restraints(MinimumRestraint self) -> IMP::Restraints"""
10871 return _IMP_core.MinimumRestraint_get_restraints(self)
10873 def erase_restraint(self, i):
10874 r"""erase_restraint(MinimumRestraint self, unsigned int i)"""
10875 return _IMP_core.MinimumRestraint_erase_restraint(self, i)
10877 def reserve_restraints(self, sz):
10878 r"""reserve_restraints(MinimumRestraint self, unsigned int sz)"""
10879 return _IMP_core.MinimumRestraint_reserve_restraints(self, sz)
10882 r"""__str__(MinimumRestraint self) -> std::string"""
10883 return _IMP_core.MinimumRestraint___str__(self)
10885 def __repr__(self):
10886 r"""__repr__(MinimumRestraint self) -> std::string"""
10887 return _IMP_core.MinimumRestraint___repr__(self)
10891 return _object_cast_to_MinimumRestraint(o)
10895 _IMP_core.MinimumRestraint_swigregister(MinimumRestraint)
10896 class Gaussian(RigidBody):
10897 r"""Proxy of C++ IMP::core::Gaussian class."""
10899 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
10901 def __init__(self, *args):
10903 __init__(Gaussian self) -> Gaussian
10904 __init__(Gaussian self, Model m, ParticleIndex id) -> Gaussian
10905 __init__(Gaussian self, _ParticleAdaptor d) -> Gaussian
10907 _IMP_core.Gaussian_swiginit(self, _IMP_core.new_Gaussian(*args))
10909 def show(self, *args):
10910 r"""show(Gaussian self, _ostream out=std::cout)"""
10911 return _IMP_core.Gaussian_show(self, *args)
10914 def setup_particle(*args):
10916 setup_particle(Model m, ParticleIndex pi) -> Gaussian
10917 setup_particle(_ParticleAdaptor pa) -> Gaussian
10918 setup_particle(Model m, ParticleIndex pi, Gaussian3D g) -> Gaussian
10919 setup_particle(_ParticleAdaptor pa, Gaussian3D g) -> Gaussian
10921 return _IMP_core.Gaussian_setup_particle(*args)
10924 def get_local_covariance_key():
10925 r"""get_local_covariance_key() -> ObjectKey"""
10926 return _IMP_core.Gaussian_get_local_covariance_key()
10929 def get_global_covariance_key():
10930 r"""get_global_covariance_key() -> ObjectKey"""
10931 return _IMP_core.Gaussian_get_global_covariance_key()
10934 def get_is_setup(*args):
10936 get_is_setup(_ParticleAdaptor p) -> bool
10937 get_is_setup(Model m, ParticleIndex pi) -> bool
10939 return _IMP_core.Gaussian_get_is_setup(*args)
10941 def get_local_covariance(self):
10942 r"""get_local_covariance(Gaussian self) -> Eigen::Matrix3d"""
10943 return _IMP_core.Gaussian_get_local_covariance(self)
10945 def get_variances(self):
10946 r"""get_variances(Gaussian self) -> Vector3D"""
10947 return _IMP_core.Gaussian_get_variances(self)
10949 def get_global_covariance(self):
10950 r"""get_global_covariance(Gaussian self) -> Eigen::Matrix3d"""
10951 return _IMP_core.Gaussian_get_global_covariance(self)
10953 def get_gaussian(self):
10954 r"""get_gaussian(Gaussian self) -> Gaussian3D"""
10955 return _IMP_core.Gaussian_get_gaussian(self)
10957 def set_gaussian(self, g):
10958 r"""set_gaussian(Gaussian self, Gaussian3D g)"""
10959 return _IMP_core.Gaussian_set_gaussian(self, g)
10961 def set_local_covariance(self, covar):
10962 r"""set_local_covariance(Gaussian self, Eigen::Vector3d const covar)"""
10963 return _IMP_core.Gaussian_set_local_covariance(self, covar)
10965 def set_variances(self, v):
10966 r"""set_variances(Gaussian self, Vector3D v)"""
10967 return _IMP_core.Gaussian_set_variances(self, v)
10969 def set_global_covariance(self, covar):
10970 r"""set_global_covariance(Gaussian self, Eigen::Matrix3d covar)"""
10971 return _IMP_core.Gaussian_set_global_covariance(self, covar)
10973 def update_global_covariance(self):
10974 r"""update_global_covariance(Gaussian self)"""
10975 return _IMP_core.Gaussian_update_global_covariance(self)
10977 def add_attribute(self, *args):
10979 add_attribute(Gaussian self, FloatKey k, IMP::Float v, bool opt)
10980 add_attribute(Gaussian self, FloatKey a0, IMP::Float a1)
10981 add_attribute(Gaussian self, IntKey a0, IMP::Int a1)
10982 add_attribute(Gaussian self, FloatsKey a0, IMP::Floats a1)
10983 add_attribute(Gaussian self, IntsKey a0, IMP::Ints a1)
10984 add_attribute(Gaussian self, StringKey a0, IMP::String a1)
10985 add_attribute(Gaussian self, ParticleIndexKey a0, Particle a1)
10986 add_attribute(Gaussian self, ObjectKey a0, Object a1)
10987 add_attribute(Gaussian self, SparseFloatKey a0, IMP::Float a1)
10988 add_attribute(Gaussian self, SparseIntKey a0, IMP::Int a1)
10989 add_attribute(Gaussian self, SparseStringKey a0, IMP::String a1)
10990 add_attribute(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
10992 return _IMP_core.Gaussian_add_attribute(self, *args)
10994 def get_value(self, *args):
10996 get_value(Gaussian self, FloatKey a0) -> IMP::Float
10997 get_value(Gaussian self, IntKey a0) -> IMP::Int
10998 get_value(Gaussian self, FloatsKey a0) -> IMP::Floats
10999 get_value(Gaussian self, IntsKey a0) -> IMP::Ints
11000 get_value(Gaussian self, StringKey a0) -> IMP::String
11001 get_value(Gaussian self, ParticleIndexKey a0) -> Particle
11002 get_value(Gaussian self, ObjectKey a0) -> Object
11003 get_value(Gaussian self, SparseFloatKey a0) -> IMP::Float
11004 get_value(Gaussian self, SparseIntKey a0) -> IMP::Int
11005 get_value(Gaussian self, SparseStringKey a0) -> IMP::String
11006 get_value(Gaussian self, SparseParticleIndexKey a0) -> ParticleIndex
11008 return _IMP_core.Gaussian_get_value(self, *args)
11010 def set_value(self, *args):
11012 set_value(Gaussian self, FloatKey a0, IMP::Float a1)
11013 set_value(Gaussian self, IntKey a0, IMP::Int a1)
11014 set_value(Gaussian self, FloatsKey a0, IMP::Floats a1)
11015 set_value(Gaussian self, IntsKey a0, IMP::Ints a1)
11016 set_value(Gaussian self, StringKey a0, IMP::String a1)
11017 set_value(Gaussian self, ParticleIndexKey a0, Particle a1)
11018 set_value(Gaussian self, ObjectKey a0, Object a1)
11019 set_value(Gaussian self, SparseFloatKey a0, IMP::Float a1)
11020 set_value(Gaussian self, SparseIntKey a0, IMP::Int a1)
11021 set_value(Gaussian self, SparseStringKey a0, IMP::String a1)
11022 set_value(Gaussian self, SparseParticleIndexKey a0, ParticleIndex a1)
11024 return _IMP_core.Gaussian_set_value(self, *args)
11026 def remove_attribute(self, *args):
11028 remove_attribute(Gaussian self, FloatKey a0)
11029 remove_attribute(Gaussian self, IntKey a0)
11030 remove_attribute(Gaussian self, FloatsKey a0)
11031 remove_attribute(Gaussian self, IntsKey a0)
11032 remove_attribute(Gaussian self, StringKey a0)
11033 remove_attribute(Gaussian self, ParticleIndexKey a0)
11034 remove_attribute(Gaussian self, ObjectKey a0)
11035 remove_attribute(Gaussian self, SparseFloatKey a0)
11036 remove_attribute(Gaussian self, SparseIntKey a0)
11037 remove_attribute(Gaussian self, SparseStringKey a0)
11038 remove_attribute(Gaussian self, SparseParticleIndexKey a0)
11040 return _IMP_core.Gaussian_remove_attribute(self, *args)
11042 def has_attribute(self, *args):
11044 has_attribute(Gaussian self, FloatKey a0) -> bool
11045 has_attribute(Gaussian self, IntKey a0) -> bool
11046 has_attribute(Gaussian self, FloatsKey a0) -> bool
11047 has_attribute(Gaussian self, IntsKey a0) -> bool
11048 has_attribute(Gaussian self, StringKey a0) -> bool
11049 has_attribute(Gaussian self, ParticleIndexKey a0) -> bool
11050 has_attribute(Gaussian self, ObjectKey a0) -> bool
11051 has_attribute(Gaussian self, SparseFloatKey a0) -> bool
11052 has_attribute(Gaussian self, SparseIntKey a0) -> bool
11053 has_attribute(Gaussian self, SparseStringKey a0) -> bool
11054 has_attribute(Gaussian self, SparseParticleIndexKey a0) -> bool
11056 return _IMP_core.Gaussian_has_attribute(self, *args)
11058 def get_derivative(self, a0):
11059 r"""get_derivative(Gaussian self, FloatKey a0) -> double"""
11060 return _IMP_core.Gaussian_get_derivative(self, a0)
11062 def get_name(self):
11063 r"""get_name(Gaussian self) -> std::string"""
11064 return _IMP_core.Gaussian_get_name(self)
11066 def clear_caches(self):
11067 r"""clear_caches(Gaussian self)"""
11068 return _IMP_core.Gaussian_clear_caches(self)
11070 def set_name(self, a0):
11071 r"""set_name(Gaussian self, std::string a0)"""
11072 return _IMP_core.Gaussian_set_name(self, a0)
11075 r"""set_check_level(Gaussian self, IMP::CheckLevel a0)"""
11076 return _IMP_core.Gaussian_set_check_level(self, a0)
11078 def add_to_derivative(self, a0, a1, a2):
11079 r"""add_to_derivative(Gaussian self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
11080 return _IMP_core.Gaussian_add_to_derivative(self, a0, a1, a2)
11082 def set_is_optimized(self, a0, a1):
11083 r"""set_is_optimized(Gaussian self, FloatKey a0, bool a1)"""
11084 return _IMP_core.Gaussian_set_is_optimized(self, a0, a1)
11086 def get_is_optimized(self, a0):
11087 r"""get_is_optimized(Gaussian self, FloatKey a0) -> bool"""
11088 return _IMP_core.Gaussian_get_is_optimized(self, a0)
11091 r"""get_check_level(Gaussian self) -> IMP::CheckLevel"""
11092 return _IMP_core.Gaussian_get_check_level(self)
11094 def __eq__(self, *args):
11096 __eq__(Gaussian self, Gaussian o) -> bool
11097 __eq__(Gaussian self, Particle d) -> bool
11099 return _IMP_core.Gaussian___eq__(self, *args)
11101 def __ne__(self, *args):
11103 __ne__(Gaussian self, Gaussian o) -> bool
11104 __ne__(Gaussian self, Particle d) -> bool
11106 return _IMP_core.Gaussian___ne__(self, *args)
11108 def __le__(self, *args):
11110 __le__(Gaussian self, Gaussian o) -> bool
11111 __le__(Gaussian self, Particle d) -> bool
11113 return _IMP_core.Gaussian___le__(self, *args)
11115 def __lt__(self, *args):
11117 __lt__(Gaussian self, Gaussian o) -> bool
11118 __lt__(Gaussian self, Particle d) -> bool
11120 return _IMP_core.Gaussian___lt__(self, *args)
11122 def __ge__(self, *args):
11124 __ge__(Gaussian self, Gaussian o) -> bool
11125 __ge__(Gaussian self, Particle d) -> bool
11127 return _IMP_core.Gaussian___ge__(self, *args)
11129 def __gt__(self, *args):
11131 __gt__(Gaussian self, Gaussian o) -> bool
11132 __gt__(Gaussian self, Particle d) -> bool
11134 return _IMP_core.Gaussian___gt__(self, *args)
11136 def __hash__(self):
11137 r"""__hash__(Gaussian self) -> std::size_t"""
11138 return _IMP_core.Gaussian___hash__(self)
11141 r"""__str__(Gaussian self) -> std::string"""
11142 return _IMP_core.Gaussian___str__(self)
11144 def __repr__(self):
11145 r"""__repr__(Gaussian self) -> std::string"""
11146 return _IMP_core.Gaussian___repr__(self)
11148 def _get_as_binary(self):
11149 r"""_get_as_binary(Gaussian self) -> PyObject *"""
11150 return _IMP_core.Gaussian__get_as_binary(self)
11152 def _set_from_binary(self, p):
11153 r"""_set_from_binary(Gaussian self, PyObject * p)"""
11154 return _IMP_core.Gaussian__set_from_binary(self, p)
11156 def __getstate__(self):
11157 p = self._get_as_binary()
11158 if len(self.__dict__) > 1:
11159 d = self.__dict__.copy()
11164 def __setstate__(self, p):
11165 if not hasattr(self,
'this'):
11167 if isinstance(p, tuple):
11169 self.__dict__.update(d)
11170 return self._set_from_binary(p)
11172 __swig_destroy__ = _IMP_core.delete_Gaussian
11175 _IMP_core.Gaussian_swigregister(Gaussian)
11177 r"""Proxy of C++ IMP::core::PairRestraint class."""
11179 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11181 def __init__(self, *args):
11183 __init__(PairRestraint self, Model m, PairScore ss, IMP::ParticleIndexPair const & vt, std::string name="PairRestraint %1%") -> PairRestraint
11184 __init__(PairRestraint self) -> PairRestraint
11186 _IMP_core.PairRestraint_swiginit(self, _IMP_core.new_PairRestraint(*args))
11188 def get_score_object(self):
11189 r"""get_score_object(PairRestraint self) -> PairScore"""
11190 return _IMP_core.PairRestraint_get_score_object(self)
11193 r"""get_index(PairRestraint self) -> IMP::PairScore::IndexArgument"""
11194 return _IMP_core.PairRestraint_get_index(self)
11196 def get_version_info(self):
11197 r"""get_version_info(PairRestraint self) -> VersionInfo"""
11198 return _IMP_core.PairRestraint_get_version_info(self)
11199 __swig_destroy__ = _IMP_core.delete_PairRestraint
11202 r"""__str__(PairRestraint self) -> std::string"""
11203 return _IMP_core.PairRestraint___str__(self)
11205 def __repr__(self):
11206 r"""__repr__(PairRestraint self) -> std::string"""
11207 return _IMP_core.PairRestraint___repr__(self)
11211 return _object_cast_to_PairRestraint(o)
11214 def _get_as_binary(self):
11215 r"""_get_as_binary(PairRestraint self) -> PyObject *"""
11216 return _IMP_core.PairRestraint__get_as_binary(self)
11218 def _set_from_binary(self, p):
11219 r"""_set_from_binary(PairRestraint self, PyObject * p)"""
11220 return _IMP_core.PairRestraint__set_from_binary(self, p)
11222 def __getstate__(self):
11223 p = self._get_as_binary()
11224 if len(self.__dict__) > 1:
11225 d = self.__dict__.copy()
11230 def __setstate__(self, p):
11231 if not hasattr(self,
'this'):
11233 if isinstance(p, tuple):
11235 self.__dict__.update(d)
11236 return self._set_from_binary(p)
11239 def _get_jax(self):
11240 from .
import _jax_util
11241 return _jax_util._get_jax_restraint(self)
11245 _IMP_core.PairRestraint_swigregister(PairRestraint)
11247 r"""Proxy of C++ IMP::core::SingletonRestraint class."""
11249 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11251 def __init__(self, *args):
11253 __init__(SingletonRestraint self, Model m, SingletonScore ss, ParticleIndex vt, std::string name="SingletonRestraint %1%") -> SingletonRestraint
11254 __init__(SingletonRestraint self) -> SingletonRestraint
11256 _IMP_core.SingletonRestraint_swiginit(self, _IMP_core.new_SingletonRestraint(*args))
11258 def get_score_object(self):
11259 r"""get_score_object(SingletonRestraint self) -> SingletonScore"""
11260 return _IMP_core.SingletonRestraint_get_score_object(self)
11263 r"""get_index(SingletonRestraint self) -> ParticleIndex"""
11264 return _IMP_core.SingletonRestraint_get_index(self)
11266 def get_version_info(self):
11267 r"""get_version_info(SingletonRestraint self) -> VersionInfo"""
11268 return _IMP_core.SingletonRestraint_get_version_info(self)
11269 __swig_destroy__ = _IMP_core.delete_SingletonRestraint
11272 r"""__str__(SingletonRestraint self) -> std::string"""
11273 return _IMP_core.SingletonRestraint___str__(self)
11275 def __repr__(self):
11276 r"""__repr__(SingletonRestraint self) -> std::string"""
11277 return _IMP_core.SingletonRestraint___repr__(self)
11281 return _object_cast_to_SingletonRestraint(o)
11284 def _get_as_binary(self):
11285 r"""_get_as_binary(SingletonRestraint self) -> PyObject *"""
11286 return _IMP_core.SingletonRestraint__get_as_binary(self)
11288 def _set_from_binary(self, p):
11289 r"""_set_from_binary(SingletonRestraint self, PyObject * p)"""
11290 return _IMP_core.SingletonRestraint__set_from_binary(self, p)
11292 def __getstate__(self):
11293 p = self._get_as_binary()
11294 if len(self.__dict__) > 1:
11295 d = self.__dict__.copy()
11300 def __setstate__(self, p):
11301 if not hasattr(self,
'this'):
11303 if isinstance(p, tuple):
11305 self.__dict__.update(d)
11306 return self._set_from_binary(p)
11309 def _get_jax(self):
11310 from .
import _jax_util
11311 return _jax_util._get_jax_restraint(self)
11315 _IMP_core.SingletonRestraint_swigregister(SingletonRestraint)
11317 r"""Proxy of C++ IMP::core::TripletRestraint class."""
11319 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11321 def __init__(self, *args):
11323 __init__(TripletRestraint self, Model m, TripletScore ss, IMP::ParticleIndexTriplet const & vt, std::string name="TripletRestraint %1%") -> TripletRestraint
11324 __init__(TripletRestraint self) -> TripletRestraint
11326 _IMP_core.TripletRestraint_swiginit(self, _IMP_core.new_TripletRestraint(*args))
11328 def get_score_object(self):
11329 r"""get_score_object(TripletRestraint self) -> TripletScore"""
11330 return _IMP_core.TripletRestraint_get_score_object(self)
11333 r"""get_index(TripletRestraint self) -> IMP::TripletScore::IndexArgument"""
11334 return _IMP_core.TripletRestraint_get_index(self)
11336 def get_version_info(self):
11337 r"""get_version_info(TripletRestraint self) -> VersionInfo"""
11338 return _IMP_core.TripletRestraint_get_version_info(self)
11339 __swig_destroy__ = _IMP_core.delete_TripletRestraint
11342 r"""__str__(TripletRestraint self) -> std::string"""
11343 return _IMP_core.TripletRestraint___str__(self)
11345 def __repr__(self):
11346 r"""__repr__(TripletRestraint self) -> std::string"""
11347 return _IMP_core.TripletRestraint___repr__(self)
11351 return _object_cast_to_TripletRestraint(o)
11354 def _get_as_binary(self):
11355 r"""_get_as_binary(TripletRestraint self) -> PyObject *"""
11356 return _IMP_core.TripletRestraint__get_as_binary(self)
11358 def _set_from_binary(self, p):
11359 r"""_set_from_binary(TripletRestraint self, PyObject * p)"""
11360 return _IMP_core.TripletRestraint__set_from_binary(self, p)
11362 def __getstate__(self):
11363 p = self._get_as_binary()
11364 if len(self.__dict__) > 1:
11365 d = self.__dict__.copy()
11370 def __setstate__(self, p):
11371 if not hasattr(self,
'this'):
11373 if isinstance(p, tuple):
11375 self.__dict__.update(d)
11376 return self._set_from_binary(p)
11380 _IMP_core.TripletRestraint_swigregister(TripletRestraint)
11382 r"""Proxy of C++ IMP::core::QuadRestraint class."""
11384 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11386 def __init__(self, *args):
11388 __init__(QuadRestraint self, Model m, QuadScore ss, IMP::ParticleIndexQuad const & vt, std::string name="QuadRestraint %1%") -> QuadRestraint
11389 __init__(QuadRestraint self) -> QuadRestraint
11391 _IMP_core.QuadRestraint_swiginit(self, _IMP_core.new_QuadRestraint(*args))
11393 def get_score_object(self):
11394 r"""get_score_object(QuadRestraint self) -> QuadScore"""
11395 return _IMP_core.QuadRestraint_get_score_object(self)
11398 r"""get_index(QuadRestraint self) -> IMP::QuadScore::IndexArgument"""
11399 return _IMP_core.QuadRestraint_get_index(self)
11401 def get_version_info(self):
11402 r"""get_version_info(QuadRestraint self) -> VersionInfo"""
11403 return _IMP_core.QuadRestraint_get_version_info(self)
11404 __swig_destroy__ = _IMP_core.delete_QuadRestraint
11407 r"""__str__(QuadRestraint self) -> std::string"""
11408 return _IMP_core.QuadRestraint___str__(self)
11410 def __repr__(self):
11411 r"""__repr__(QuadRestraint self) -> std::string"""
11412 return _IMP_core.QuadRestraint___repr__(self)
11416 return _object_cast_to_QuadRestraint(o)
11419 def _get_as_binary(self):
11420 r"""_get_as_binary(QuadRestraint self) -> PyObject *"""
11421 return _IMP_core.QuadRestraint__get_as_binary(self)
11423 def _set_from_binary(self, p):
11424 r"""_set_from_binary(QuadRestraint self, PyObject * p)"""
11425 return _IMP_core.QuadRestraint__set_from_binary(self, p)
11427 def __getstate__(self):
11428 p = self._get_as_binary()
11429 if len(self.__dict__) > 1:
11430 d = self.__dict__.copy()
11435 def __setstate__(self, p):
11436 if not hasattr(self,
'this'):
11438 if isinstance(p, tuple):
11440 self.__dict__.update(d)
11441 return self._set_from_binary(p)
11445 _IMP_core.QuadRestraint_swigregister(QuadRestraint)
11447 r"""Proxy of C++ IMP::core::SingletonConstraint class."""
11449 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11451 def __init__(self, *args):
11453 __init__(SingletonConstraint self, SingletonModifier before, SingletonModifier after, Model m, ParticleIndex vt, std::string name="SingletonConstraint %1%", bool can_skip=False) -> SingletonConstraint
11454 __init__(SingletonConstraint self) -> SingletonConstraint
11456 _IMP_core.SingletonConstraint_swiginit(self, _IMP_core.new_SingletonConstraint(*args))
11458 def get_before_modifier(self):
11459 r"""get_before_modifier(SingletonConstraint self) -> SingletonModifier"""
11460 return _IMP_core.SingletonConstraint_get_before_modifier(self)
11463 r"""get_index(SingletonConstraint self) -> ParticleIndex"""
11464 return _IMP_core.SingletonConstraint_get_index(self)
11466 def get_version_info(self):
11467 r"""get_version_info(SingletonConstraint self) -> VersionInfo"""
11468 return _IMP_core.SingletonConstraint_get_version_info(self)
11469 __swig_destroy__ = _IMP_core.delete_SingletonConstraint
11472 r"""__str__(SingletonConstraint self) -> std::string"""
11473 return _IMP_core.SingletonConstraint___str__(self)
11475 def __repr__(self):
11476 r"""__repr__(SingletonConstraint self) -> std::string"""
11477 return _IMP_core.SingletonConstraint___repr__(self)
11481 return _object_cast_to_SingletonConstraint(o)
11484 def _get_as_binary(self):
11485 r"""_get_as_binary(SingletonConstraint self) -> PyObject *"""
11486 return _IMP_core.SingletonConstraint__get_as_binary(self)
11488 def _set_from_binary(self, p):
11489 r"""_set_from_binary(SingletonConstraint self, PyObject * p)"""
11490 return _IMP_core.SingletonConstraint__set_from_binary(self, p)
11492 def __getstate__(self):
11493 p = self._get_as_binary()
11494 if len(self.__dict__) > 1:
11495 d = self.__dict__.copy()
11500 def __setstate__(self, p):
11501 if not hasattr(self,
'this'):
11503 if isinstance(p, tuple):
11505 self.__dict__.update(d)
11506 return self._set_from_binary(p)
11509 def _get_jax(self):
11510 import jax.numpy
as jnp
11511 indexes = jnp.array([self.get_index()])
11512 mod = self.get_before_modifier().get_derived_object()
11513 ji = mod._get_jax(self.get_model(), indexes)
11514 return self._wrap_jax(ji.apply_func, keys=ji._keys)
11518 _IMP_core.SingletonConstraint_swigregister(SingletonConstraint)
11520 r"""Proxy of C++ IMP::core::PairConstraint class."""
11522 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11524 def __init__(self, *args):
11526 __init__(PairConstraint self, PairModifier before, PairModifier after, Model m, IMP::ParticleIndexPair const & vt, std::string name="PairConstraint %1%", bool can_skip=False) -> PairConstraint
11527 __init__(PairConstraint self) -> PairConstraint
11529 _IMP_core.PairConstraint_swiginit(self, _IMP_core.new_PairConstraint(*args))
11531 def get_before_modifier(self):
11532 r"""get_before_modifier(PairConstraint self) -> PairModifier"""
11533 return _IMP_core.PairConstraint_get_before_modifier(self)
11536 r"""get_index(PairConstraint self) -> IMP::PairModifier::IndexArgument"""
11537 return _IMP_core.PairConstraint_get_index(self)
11539 def get_version_info(self):
11540 r"""get_version_info(PairConstraint self) -> VersionInfo"""
11541 return _IMP_core.PairConstraint_get_version_info(self)
11542 __swig_destroy__ = _IMP_core.delete_PairConstraint
11545 r"""__str__(PairConstraint self) -> std::string"""
11546 return _IMP_core.PairConstraint___str__(self)
11548 def __repr__(self):
11549 r"""__repr__(PairConstraint self) -> std::string"""
11550 return _IMP_core.PairConstraint___repr__(self)
11554 return _object_cast_to_PairConstraint(o)
11557 def _get_as_binary(self):
11558 r"""_get_as_binary(PairConstraint self) -> PyObject *"""
11559 return _IMP_core.PairConstraint__get_as_binary(self)
11561 def _set_from_binary(self, p):
11562 r"""_set_from_binary(PairConstraint self, PyObject * p)"""
11563 return _IMP_core.PairConstraint__set_from_binary(self, p)
11565 def __getstate__(self):
11566 p = self._get_as_binary()
11567 if len(self.__dict__) > 1:
11568 d = self.__dict__.copy()
11573 def __setstate__(self, p):
11574 if not hasattr(self,
'this'):
11576 if isinstance(p, tuple):
11578 self.__dict__.update(d)
11579 return self._set_from_binary(p)
11583 _IMP_core.PairConstraint_swigregister(PairConstraint)
11585 r"""Proxy of C++ IMP::core::TripletConstraint class."""
11587 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11589 def __init__(self, *args):
11591 __init__(TripletConstraint self, TripletModifier before, TripletModifier after, Model m, IMP::ParticleIndexTriplet const & vt, std::string name="TripletConstraint %1%", bool can_skip=False) -> TripletConstraint
11592 __init__(TripletConstraint self) -> TripletConstraint
11594 _IMP_core.TripletConstraint_swiginit(self, _IMP_core.new_TripletConstraint(*args))
11596 def get_before_modifier(self):
11597 r"""get_before_modifier(TripletConstraint self) -> TripletModifier"""
11598 return _IMP_core.TripletConstraint_get_before_modifier(self)
11601 r"""get_index(TripletConstraint self) -> IMP::TripletModifier::IndexArgument"""
11602 return _IMP_core.TripletConstraint_get_index(self)
11604 def get_version_info(self):
11605 r"""get_version_info(TripletConstraint self) -> VersionInfo"""
11606 return _IMP_core.TripletConstraint_get_version_info(self)
11607 __swig_destroy__ = _IMP_core.delete_TripletConstraint
11610 r"""__str__(TripletConstraint self) -> std::string"""
11611 return _IMP_core.TripletConstraint___str__(self)
11613 def __repr__(self):
11614 r"""__repr__(TripletConstraint self) -> std::string"""
11615 return _IMP_core.TripletConstraint___repr__(self)
11619 return _object_cast_to_TripletConstraint(o)
11622 def _get_as_binary(self):
11623 r"""_get_as_binary(TripletConstraint self) -> PyObject *"""
11624 return _IMP_core.TripletConstraint__get_as_binary(self)
11626 def _set_from_binary(self, p):
11627 r"""_set_from_binary(TripletConstraint self, PyObject * p)"""
11628 return _IMP_core.TripletConstraint__set_from_binary(self, p)
11630 def __getstate__(self):
11631 p = self._get_as_binary()
11632 if len(self.__dict__) > 1:
11633 d = self.__dict__.copy()
11638 def __setstate__(self, p):
11639 if not hasattr(self,
'this'):
11641 if isinstance(p, tuple):
11643 self.__dict__.update(d)
11644 return self._set_from_binary(p)
11648 _IMP_core.TripletConstraint_swigregister(TripletConstraint)
11650 r"""Proxy of C++ IMP::core::QuadConstraint class."""
11652 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11654 def __init__(self, *args):
11656 __init__(QuadConstraint self, QuadModifier before, QuadModifier after, Model m, IMP::ParticleIndexQuad const & vt, std::string name="QuadConstraint %1%", bool can_skip=False) -> QuadConstraint
11657 __init__(QuadConstraint self) -> QuadConstraint
11659 _IMP_core.QuadConstraint_swiginit(self, _IMP_core.new_QuadConstraint(*args))
11661 def get_before_modifier(self):
11662 r"""get_before_modifier(QuadConstraint self) -> QuadModifier"""
11663 return _IMP_core.QuadConstraint_get_before_modifier(self)
11666 r"""get_index(QuadConstraint self) -> IMP::QuadModifier::IndexArgument"""
11667 return _IMP_core.QuadConstraint_get_index(self)
11669 def get_version_info(self):
11670 r"""get_version_info(QuadConstraint self) -> VersionInfo"""
11671 return _IMP_core.QuadConstraint_get_version_info(self)
11672 __swig_destroy__ = _IMP_core.delete_QuadConstraint
11675 r"""__str__(QuadConstraint self) -> std::string"""
11676 return _IMP_core.QuadConstraint___str__(self)
11678 def __repr__(self):
11679 r"""__repr__(QuadConstraint self) -> std::string"""
11680 return _IMP_core.QuadConstraint___repr__(self)
11684 return _object_cast_to_QuadConstraint(o)
11687 def _get_as_binary(self):
11688 r"""_get_as_binary(QuadConstraint self) -> PyObject *"""
11689 return _IMP_core.QuadConstraint__get_as_binary(self)
11691 def _set_from_binary(self, p):
11692 r"""_set_from_binary(QuadConstraint self, PyObject * p)"""
11693 return _IMP_core.QuadConstraint__set_from_binary(self, p)
11695 def __getstate__(self):
11696 p = self._get_as_binary()
11697 if len(self.__dict__) > 1:
11698 d = self.__dict__.copy()
11703 def __setstate__(self, p):
11704 if not hasattr(self,
'this'):
11706 if isinstance(p, tuple):
11708 self.__dict__.update(d)
11709 return self._set_from_binary(p)
11713 _IMP_core.QuadConstraint_swigregister(QuadConstraint)
11715 r"""Proxy of C++ IMP::core::ConstantSingletonPredicate class."""
11717 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11719 def __init__(self, *args):
11721 __init__(ConstantSingletonPredicate self, int v, std::string name="ConstSingletonPredicate%1%") -> ConstantSingletonPredicate
11722 __init__(ConstantSingletonPredicate self) -> ConstantSingletonPredicate
11724 _IMP_core.ConstantSingletonPredicate_swiginit(self, _IMP_core.new_ConstantSingletonPredicate(*args))
11726 def do_get_inputs(self, arg2, arg3):
11727 r"""do_get_inputs(ConstantSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
11728 return _IMP_core.ConstantSingletonPredicate_do_get_inputs(self, arg2, arg3)
11730 def get_value(self, *args):
11732 get_value(ConstantSingletonPredicate self, Particle a) -> int
11733 get_value(ConstantSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
11735 return _IMP_core.ConstantSingletonPredicate_get_value(self, *args)
11737 def get_value_index(self, *args):
11739 get_value_index(ConstantSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
11740 get_value_index(ConstantSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
11742 return _IMP_core.ConstantSingletonPredicate_get_value_index(self, *args)
11744 def get_version_info(self):
11745 r"""get_version_info(ConstantSingletonPredicate self) -> VersionInfo"""
11746 return _IMP_core.ConstantSingletonPredicate_get_version_info(self)
11747 __swig_destroy__ = _IMP_core.delete_ConstantSingletonPredicate
11750 r"""__str__(ConstantSingletonPredicate self) -> std::string"""
11751 return _IMP_core.ConstantSingletonPredicate___str__(self)
11753 def __repr__(self):
11754 r"""__repr__(ConstantSingletonPredicate self) -> std::string"""
11755 return _IMP_core.ConstantSingletonPredicate___repr__(self)
11759 return _object_cast_to_ConstantSingletonPredicate(o)
11762 def _get_as_binary(self):
11763 r"""_get_as_binary(ConstantSingletonPredicate self) -> PyObject *"""
11764 return _IMP_core.ConstantSingletonPredicate__get_as_binary(self)
11766 def _set_from_binary(self, p):
11767 r"""_set_from_binary(ConstantSingletonPredicate self, PyObject * p)"""
11768 return _IMP_core.ConstantSingletonPredicate__set_from_binary(self, p)
11770 def __getstate__(self):
11771 p = self._get_as_binary()
11772 if len(self.__dict__) > 1:
11773 d = self.__dict__.copy()
11778 def __setstate__(self, p):
11779 if not hasattr(self,
'this'):
11781 if isinstance(p, tuple):
11783 self.__dict__.update(d)
11784 return self._set_from_binary(p)
11788 _IMP_core.ConstantSingletonPredicate_swigregister(ConstantSingletonPredicate)
11790 r"""Proxy of C++ IMP::core::UnorderedTypeSingletonPredicate class."""
11792 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11794 def __init__(self, *args):
11795 r"""__init__(UnorderedTypeSingletonPredicate self, std::string name="UnorderedTypeSingletonPredicate%1%") -> UnorderedTypeSingletonPredicate"""
11796 _IMP_core.UnorderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_UnorderedTypeSingletonPredicate(*args))
11798 def do_get_inputs(self, m, pis):
11799 r"""do_get_inputs(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
11800 return _IMP_core.UnorderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
11802 def get_value(self, *args):
11804 get_value(UnorderedTypeSingletonPredicate self, Particle a) -> int
11805 get_value(UnorderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
11807 return _IMP_core.UnorderedTypeSingletonPredicate_get_value(self, *args)
11809 def get_value_index(self, *args):
11811 get_value_index(UnorderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
11812 get_value_index(UnorderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
11814 return _IMP_core.UnorderedTypeSingletonPredicate_get_value_index(self, *args)
11816 def get_version_info(self):
11817 r"""get_version_info(UnorderedTypeSingletonPredicate self) -> VersionInfo"""
11818 return _IMP_core.UnorderedTypeSingletonPredicate_get_version_info(self)
11819 __swig_destroy__ = _IMP_core.delete_UnorderedTypeSingletonPredicate
11822 r"""__str__(UnorderedTypeSingletonPredicate self) -> std::string"""
11823 return _IMP_core.UnorderedTypeSingletonPredicate___str__(self)
11825 def __repr__(self):
11826 r"""__repr__(UnorderedTypeSingletonPredicate self) -> std::string"""
11827 return _IMP_core.UnorderedTypeSingletonPredicate___repr__(self)
11831 return _object_cast_to_UnorderedTypeSingletonPredicate(o)
11834 def _get_as_binary(self):
11835 r"""_get_as_binary(UnorderedTypeSingletonPredicate self) -> PyObject *"""
11836 return _IMP_core.UnorderedTypeSingletonPredicate__get_as_binary(self)
11838 def _set_from_binary(self, p):
11839 r"""_set_from_binary(UnorderedTypeSingletonPredicate self, PyObject * p)"""
11840 return _IMP_core.UnorderedTypeSingletonPredicate__set_from_binary(self, p)
11842 def __getstate__(self):
11843 p = self._get_as_binary()
11844 if len(self.__dict__) > 1:
11845 d = self.__dict__.copy()
11850 def __setstate__(self, p):
11851 if not hasattr(self,
'this'):
11853 if isinstance(p, tuple):
11855 self.__dict__.update(d)
11856 return self._set_from_binary(p)
11860 _IMP_core.UnorderedTypeSingletonPredicate_swigregister(UnorderedTypeSingletonPredicate)
11862 r"""Proxy of C++ IMP::core::OrderedTypeSingletonPredicate class."""
11864 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11866 def __init__(self, *args):
11867 r"""__init__(OrderedTypeSingletonPredicate self, std::string name="OrderedTypeSingletonPredicate%1%") -> OrderedTypeSingletonPredicate"""
11868 _IMP_core.OrderedTypeSingletonPredicate_swiginit(self, _IMP_core.new_OrderedTypeSingletonPredicate(*args))
11870 def do_get_inputs(self, m, pis):
11871 r"""do_get_inputs(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
11872 return _IMP_core.OrderedTypeSingletonPredicate_do_get_inputs(self, m, pis)
11874 def get_value(self, *args):
11876 get_value(OrderedTypeSingletonPredicate self, IMP::core::ParticleTypes const & types) -> int
11877 get_value(OrderedTypeSingletonPredicate self, Particle a) -> int
11878 get_value(OrderedTypeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
11880 return _IMP_core.OrderedTypeSingletonPredicate_get_value(self, *args)
11882 def get_value_index(self, *args):
11884 get_value_index(OrderedTypeSingletonPredicate self, Model m, ParticleIndex pi) -> int
11885 get_value_index(OrderedTypeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
11887 return _IMP_core.OrderedTypeSingletonPredicate_get_value_index(self, *args)
11889 def get_version_info(self):
11890 r"""get_version_info(OrderedTypeSingletonPredicate self) -> VersionInfo"""
11891 return _IMP_core.OrderedTypeSingletonPredicate_get_version_info(self)
11892 __swig_destroy__ = _IMP_core.delete_OrderedTypeSingletonPredicate
11895 r"""__str__(OrderedTypeSingletonPredicate self) -> std::string"""
11896 return _IMP_core.OrderedTypeSingletonPredicate___str__(self)
11898 def __repr__(self):
11899 r"""__repr__(OrderedTypeSingletonPredicate self) -> std::string"""
11900 return _IMP_core.OrderedTypeSingletonPredicate___repr__(self)
11904 return _object_cast_to_OrderedTypeSingletonPredicate(o)
11908 _IMP_core.OrderedTypeSingletonPredicate_swigregister(OrderedTypeSingletonPredicate)
11910 r"""Proxy of C++ IMP::core::AllSameSingletonPredicate class."""
11912 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11914 def __init__(self, *args):
11915 r"""__init__(AllSameSingletonPredicate self, std::string name="AllSameSingletonPredicate%1%") -> AllSameSingletonPredicate"""
11916 _IMP_core.AllSameSingletonPredicate_swiginit(self, _IMP_core.new_AllSameSingletonPredicate(*args))
11918 def do_get_inputs(self, arg2, arg3):
11919 r"""do_get_inputs(AllSameSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
11920 return _IMP_core.AllSameSingletonPredicate_do_get_inputs(self, arg2, arg3)
11922 def get_value(self, *args):
11924 get_value(AllSameSingletonPredicate self, Particle a) -> int
11925 get_value(AllSameSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
11927 return _IMP_core.AllSameSingletonPredicate_get_value(self, *args)
11929 def get_value_index(self, *args):
11931 get_value_index(AllSameSingletonPredicate self, Model m, ParticleIndex pi) -> int
11932 get_value_index(AllSameSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
11934 return _IMP_core.AllSameSingletonPredicate_get_value_index(self, *args)
11936 def get_version_info(self):
11937 r"""get_version_info(AllSameSingletonPredicate self) -> VersionInfo"""
11938 return _IMP_core.AllSameSingletonPredicate_get_version_info(self)
11939 __swig_destroy__ = _IMP_core.delete_AllSameSingletonPredicate
11942 r"""__str__(AllSameSingletonPredicate self) -> std::string"""
11943 return _IMP_core.AllSameSingletonPredicate___str__(self)
11945 def __repr__(self):
11946 r"""__repr__(AllSameSingletonPredicate self) -> std::string"""
11947 return _IMP_core.AllSameSingletonPredicate___repr__(self)
11951 return _object_cast_to_AllSameSingletonPredicate(o)
11954 def _get_as_binary(self):
11955 r"""_get_as_binary(AllSameSingletonPredicate self) -> PyObject *"""
11956 return _IMP_core.AllSameSingletonPredicate__get_as_binary(self)
11958 def _set_from_binary(self, p):
11959 r"""_set_from_binary(AllSameSingletonPredicate self, PyObject * p)"""
11960 return _IMP_core.AllSameSingletonPredicate__set_from_binary(self, p)
11962 def __getstate__(self):
11963 p = self._get_as_binary()
11964 if len(self.__dict__) > 1:
11965 d = self.__dict__.copy()
11970 def __setstate__(self, p):
11971 if not hasattr(self,
'this'):
11973 if isinstance(p, tuple):
11975 self.__dict__.update(d)
11976 return self._set_from_binary(p)
11980 _IMP_core.AllSameSingletonPredicate_swigregister(AllSameSingletonPredicate)
11982 r"""Proxy of C++ IMP::core::CoinFlipSingletonPredicate class."""
11984 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
11986 def __init__(self, *args):
11987 r"""__init__(CoinFlipSingletonPredicate self, double p, std::string name="CoinFlipSingletonPredicate%1%") -> CoinFlipSingletonPredicate"""
11988 _IMP_core.CoinFlipSingletonPredicate_swiginit(self, _IMP_core.new_CoinFlipSingletonPredicate(*args))
11990 def do_get_inputs(self, arg2, arg3):
11991 r"""do_get_inputs(CoinFlipSingletonPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
11992 return _IMP_core.CoinFlipSingletonPredicate_do_get_inputs(self, arg2, arg3)
11994 def get_value(self, *args):
11996 get_value(CoinFlipSingletonPredicate self, Particle a) -> int
11997 get_value(CoinFlipSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
11999 return _IMP_core.CoinFlipSingletonPredicate_get_value(self, *args)
12001 def get_value_index(self, *args):
12003 get_value_index(CoinFlipSingletonPredicate self, Model arg2, ParticleIndex arg3) -> int
12004 get_value_index(CoinFlipSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12006 return _IMP_core.CoinFlipSingletonPredicate_get_value_index(self, *args)
12008 def get_version_info(self):
12009 r"""get_version_info(CoinFlipSingletonPredicate self) -> VersionInfo"""
12010 return _IMP_core.CoinFlipSingletonPredicate_get_version_info(self)
12011 __swig_destroy__ = _IMP_core.delete_CoinFlipSingletonPredicate
12014 r"""__str__(CoinFlipSingletonPredicate self) -> std::string"""
12015 return _IMP_core.CoinFlipSingletonPredicate___str__(self)
12017 def __repr__(self):
12018 r"""__repr__(CoinFlipSingletonPredicate self) -> std::string"""
12019 return _IMP_core.CoinFlipSingletonPredicate___repr__(self)
12023 return _object_cast_to_CoinFlipSingletonPredicate(o)
12027 _IMP_core.CoinFlipSingletonPredicate_swigregister(CoinFlipSingletonPredicate)
12029 r"""Proxy of C++ IMP::core::ConstantPairPredicate class."""
12031 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12033 def __init__(self, *args):
12035 __init__(ConstantPairPredicate self, int v, std::string name="ConstPairPredicate%1%") -> ConstantPairPredicate
12036 __init__(ConstantPairPredicate self) -> ConstantPairPredicate
12038 _IMP_core.ConstantPairPredicate_swiginit(self, _IMP_core.new_ConstantPairPredicate(*args))
12040 def do_get_inputs(self, arg2, arg3):
12041 r"""do_get_inputs(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12042 return _IMP_core.ConstantPairPredicate_do_get_inputs(self, arg2, arg3)
12044 def get_value(self, *args):
12046 get_value(ConstantPairPredicate self, IMP::ParticlePair const & a) -> int
12047 get_value(ConstantPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12049 return _IMP_core.ConstantPairPredicate_get_value(self, *args)
12051 def get_value_index(self, *args):
12053 get_value_index(ConstantPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
12054 get_value_index(ConstantPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12056 return _IMP_core.ConstantPairPredicate_get_value_index(self, *args)
12058 def get_version_info(self):
12059 r"""get_version_info(ConstantPairPredicate self) -> VersionInfo"""
12060 return _IMP_core.ConstantPairPredicate_get_version_info(self)
12061 __swig_destroy__ = _IMP_core.delete_ConstantPairPredicate
12064 r"""__str__(ConstantPairPredicate self) -> std::string"""
12065 return _IMP_core.ConstantPairPredicate___str__(self)
12067 def __repr__(self):
12068 r"""__repr__(ConstantPairPredicate self) -> std::string"""
12069 return _IMP_core.ConstantPairPredicate___repr__(self)
12073 return _object_cast_to_ConstantPairPredicate(o)
12076 def _get_as_binary(self):
12077 r"""_get_as_binary(ConstantPairPredicate self) -> PyObject *"""
12078 return _IMP_core.ConstantPairPredicate__get_as_binary(self)
12080 def _set_from_binary(self, p):
12081 r"""_set_from_binary(ConstantPairPredicate self, PyObject * p)"""
12082 return _IMP_core.ConstantPairPredicate__set_from_binary(self, p)
12084 def __getstate__(self):
12085 p = self._get_as_binary()
12086 if len(self.__dict__) > 1:
12087 d = self.__dict__.copy()
12092 def __setstate__(self, p):
12093 if not hasattr(self,
'this'):
12095 if isinstance(p, tuple):
12097 self.__dict__.update(d)
12098 return self._set_from_binary(p)
12102 _IMP_core.ConstantPairPredicate_swigregister(ConstantPairPredicate)
12104 r"""Proxy of C++ IMP::core::UnorderedTypePairPredicate class."""
12106 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12108 def __init__(self, *args):
12109 r"""__init__(UnorderedTypePairPredicate self, std::string name="UnorderedTypePairPredicate%1%") -> UnorderedTypePairPredicate"""
12110 _IMP_core.UnorderedTypePairPredicate_swiginit(self, _IMP_core.new_UnorderedTypePairPredicate(*args))
12112 def do_get_inputs(self, m, pis):
12113 r"""do_get_inputs(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12114 return _IMP_core.UnorderedTypePairPredicate_do_get_inputs(self, m, pis)
12116 def get_value(self, *args):
12118 get_value(UnorderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12119 get_value(UnorderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12121 return _IMP_core.UnorderedTypePairPredicate_get_value(self, *args)
12123 def get_value_index(self, *args):
12125 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12126 get_value_index(UnorderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12128 return _IMP_core.UnorderedTypePairPredicate_get_value_index(self, *args)
12130 def get_version_info(self):
12131 r"""get_version_info(UnorderedTypePairPredicate self) -> VersionInfo"""
12132 return _IMP_core.UnorderedTypePairPredicate_get_version_info(self)
12133 __swig_destroy__ = _IMP_core.delete_UnorderedTypePairPredicate
12136 r"""__str__(UnorderedTypePairPredicate self) -> std::string"""
12137 return _IMP_core.UnorderedTypePairPredicate___str__(self)
12139 def __repr__(self):
12140 r"""__repr__(UnorderedTypePairPredicate self) -> std::string"""
12141 return _IMP_core.UnorderedTypePairPredicate___repr__(self)
12145 return _object_cast_to_UnorderedTypePairPredicate(o)
12148 def _get_as_binary(self):
12149 r"""_get_as_binary(UnorderedTypePairPredicate self) -> PyObject *"""
12150 return _IMP_core.UnorderedTypePairPredicate__get_as_binary(self)
12152 def _set_from_binary(self, p):
12153 r"""_set_from_binary(UnorderedTypePairPredicate self, PyObject * p)"""
12154 return _IMP_core.UnorderedTypePairPredicate__set_from_binary(self, p)
12156 def __getstate__(self):
12157 p = self._get_as_binary()
12158 if len(self.__dict__) > 1:
12159 d = self.__dict__.copy()
12164 def __setstate__(self, p):
12165 if not hasattr(self,
'this'):
12167 if isinstance(p, tuple):
12169 self.__dict__.update(d)
12170 return self._set_from_binary(p)
12174 _IMP_core.UnorderedTypePairPredicate_swigregister(UnorderedTypePairPredicate)
12176 r"""Proxy of C++ IMP::core::OrderedTypePairPredicate class."""
12178 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12180 def __init__(self, *args):
12181 r"""__init__(OrderedTypePairPredicate self, std::string name="OrderedTypePairPredicate%1%") -> OrderedTypePairPredicate"""
12182 _IMP_core.OrderedTypePairPredicate_swiginit(self, _IMP_core.new_OrderedTypePairPredicate(*args))
12184 def do_get_inputs(self, m, pis):
12185 r"""do_get_inputs(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12186 return _IMP_core.OrderedTypePairPredicate_do_get_inputs(self, m, pis)
12188 def get_value(self, *args):
12190 get_value(OrderedTypePairPredicate self, IMP::core::ParticleTypes const & types) -> int
12191 get_value(OrderedTypePairPredicate self, IMP::ParticlePair const & a) -> int
12192 get_value(OrderedTypePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12194 return _IMP_core.OrderedTypePairPredicate_get_value(self, *args)
12196 def get_value_index(self, *args):
12198 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12199 get_value_index(OrderedTypePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12201 return _IMP_core.OrderedTypePairPredicate_get_value_index(self, *args)
12203 def get_version_info(self):
12204 r"""get_version_info(OrderedTypePairPredicate self) -> VersionInfo"""
12205 return _IMP_core.OrderedTypePairPredicate_get_version_info(self)
12206 __swig_destroy__ = _IMP_core.delete_OrderedTypePairPredicate
12209 r"""__str__(OrderedTypePairPredicate self) -> std::string"""
12210 return _IMP_core.OrderedTypePairPredicate___str__(self)
12212 def __repr__(self):
12213 r"""__repr__(OrderedTypePairPredicate self) -> std::string"""
12214 return _IMP_core.OrderedTypePairPredicate___repr__(self)
12218 return _object_cast_to_OrderedTypePairPredicate(o)
12222 _IMP_core.OrderedTypePairPredicate_swigregister(OrderedTypePairPredicate)
12224 r"""Proxy of C++ IMP::core::AllSamePairPredicate class."""
12226 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12228 def __init__(self, *args):
12229 r"""__init__(AllSamePairPredicate self, std::string name="AllSamePairPredicate%1%") -> AllSamePairPredicate"""
12230 _IMP_core.AllSamePairPredicate_swiginit(self, _IMP_core.new_AllSamePairPredicate(*args))
12232 def do_get_inputs(self, arg2, arg3):
12233 r"""do_get_inputs(AllSamePairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12234 return _IMP_core.AllSamePairPredicate_do_get_inputs(self, arg2, arg3)
12236 def get_value(self, *args):
12238 get_value(AllSamePairPredicate self, IMP::ParticlePair const & a) -> int
12239 get_value(AllSamePairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12241 return _IMP_core.AllSamePairPredicate_get_value(self, *args)
12243 def get_value_index(self, *args):
12245 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
12246 get_value_index(AllSamePairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12248 return _IMP_core.AllSamePairPredicate_get_value_index(self, *args)
12250 def get_version_info(self):
12251 r"""get_version_info(AllSamePairPredicate self) -> VersionInfo"""
12252 return _IMP_core.AllSamePairPredicate_get_version_info(self)
12253 __swig_destroy__ = _IMP_core.delete_AllSamePairPredicate
12256 r"""__str__(AllSamePairPredicate self) -> std::string"""
12257 return _IMP_core.AllSamePairPredicate___str__(self)
12259 def __repr__(self):
12260 r"""__repr__(AllSamePairPredicate self) -> std::string"""
12261 return _IMP_core.AllSamePairPredicate___repr__(self)
12265 return _object_cast_to_AllSamePairPredicate(o)
12268 def _get_as_binary(self):
12269 r"""_get_as_binary(AllSamePairPredicate self) -> PyObject *"""
12270 return _IMP_core.AllSamePairPredicate__get_as_binary(self)
12272 def _set_from_binary(self, p):
12273 r"""_set_from_binary(AllSamePairPredicate self, PyObject * p)"""
12274 return _IMP_core.AllSamePairPredicate__set_from_binary(self, p)
12276 def __getstate__(self):
12277 p = self._get_as_binary()
12278 if len(self.__dict__) > 1:
12279 d = self.__dict__.copy()
12284 def __setstate__(self, p):
12285 if not hasattr(self,
'this'):
12287 if isinstance(p, tuple):
12289 self.__dict__.update(d)
12290 return self._set_from_binary(p)
12294 _IMP_core.AllSamePairPredicate_swigregister(AllSamePairPredicate)
12296 r"""Proxy of C++ IMP::core::CoinFlipPairPredicate class."""
12298 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12300 def __init__(self, *args):
12301 r"""__init__(CoinFlipPairPredicate self, double p, std::string name="CoinFlipPairPredicate%1%") -> CoinFlipPairPredicate"""
12302 _IMP_core.CoinFlipPairPredicate_swiginit(self, _IMP_core.new_CoinFlipPairPredicate(*args))
12304 def do_get_inputs(self, arg2, arg3):
12305 r"""do_get_inputs(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12306 return _IMP_core.CoinFlipPairPredicate_do_get_inputs(self, arg2, arg3)
12308 def get_value(self, *args):
12310 get_value(CoinFlipPairPredicate self, IMP::ParticlePair const & a) -> int
12311 get_value(CoinFlipPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12313 return _IMP_core.CoinFlipPairPredicate_get_value(self, *args)
12315 def get_value_index(self, *args):
12317 get_value_index(CoinFlipPairPredicate self, Model arg2, IMP::ParticleIndexPair const & arg3) -> int
12318 get_value_index(CoinFlipPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12320 return _IMP_core.CoinFlipPairPredicate_get_value_index(self, *args)
12322 def get_version_info(self):
12323 r"""get_version_info(CoinFlipPairPredicate self) -> VersionInfo"""
12324 return _IMP_core.CoinFlipPairPredicate_get_version_info(self)
12325 __swig_destroy__ = _IMP_core.delete_CoinFlipPairPredicate
12328 r"""__str__(CoinFlipPairPredicate self) -> std::string"""
12329 return _IMP_core.CoinFlipPairPredicate___str__(self)
12331 def __repr__(self):
12332 r"""__repr__(CoinFlipPairPredicate self) -> std::string"""
12333 return _IMP_core.CoinFlipPairPredicate___repr__(self)
12337 return _object_cast_to_CoinFlipPairPredicate(o)
12341 _IMP_core.CoinFlipPairPredicate_swigregister(CoinFlipPairPredicate)
12343 r"""Proxy of C++ IMP::core::ConstantTripletPredicate class."""
12345 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12347 def __init__(self, *args):
12349 __init__(ConstantTripletPredicate self, int v, std::string name="ConstTripletPredicate%1%") -> ConstantTripletPredicate
12350 __init__(ConstantTripletPredicate self) -> ConstantTripletPredicate
12352 _IMP_core.ConstantTripletPredicate_swiginit(self, _IMP_core.new_ConstantTripletPredicate(*args))
12354 def do_get_inputs(self, arg2, arg3):
12355 r"""do_get_inputs(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12356 return _IMP_core.ConstantTripletPredicate_do_get_inputs(self, arg2, arg3)
12358 def get_value(self, *args):
12360 get_value(ConstantTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12361 get_value(ConstantTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12363 return _IMP_core.ConstantTripletPredicate_get_value(self, *args)
12365 def get_value_index(self, *args):
12367 get_value_index(ConstantTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
12368 get_value_index(ConstantTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12370 return _IMP_core.ConstantTripletPredicate_get_value_index(self, *args)
12372 def get_version_info(self):
12373 r"""get_version_info(ConstantTripletPredicate self) -> VersionInfo"""
12374 return _IMP_core.ConstantTripletPredicate_get_version_info(self)
12375 __swig_destroy__ = _IMP_core.delete_ConstantTripletPredicate
12378 r"""__str__(ConstantTripletPredicate self) -> std::string"""
12379 return _IMP_core.ConstantTripletPredicate___str__(self)
12381 def __repr__(self):
12382 r"""__repr__(ConstantTripletPredicate self) -> std::string"""
12383 return _IMP_core.ConstantTripletPredicate___repr__(self)
12387 return _object_cast_to_ConstantTripletPredicate(o)
12390 def _get_as_binary(self):
12391 r"""_get_as_binary(ConstantTripletPredicate self) -> PyObject *"""
12392 return _IMP_core.ConstantTripletPredicate__get_as_binary(self)
12394 def _set_from_binary(self, p):
12395 r"""_set_from_binary(ConstantTripletPredicate self, PyObject * p)"""
12396 return _IMP_core.ConstantTripletPredicate__set_from_binary(self, p)
12398 def __getstate__(self):
12399 p = self._get_as_binary()
12400 if len(self.__dict__) > 1:
12401 d = self.__dict__.copy()
12406 def __setstate__(self, p):
12407 if not hasattr(self,
'this'):
12409 if isinstance(p, tuple):
12411 self.__dict__.update(d)
12412 return self._set_from_binary(p)
12416 _IMP_core.ConstantTripletPredicate_swigregister(ConstantTripletPredicate)
12418 r"""Proxy of C++ IMP::core::UnorderedTypeTripletPredicate class."""
12420 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12422 def __init__(self, *args):
12423 r"""__init__(UnorderedTypeTripletPredicate self, std::string name="UnorderedTypeTripletPredicate%1%") -> UnorderedTypeTripletPredicate"""
12424 _IMP_core.UnorderedTypeTripletPredicate_swiginit(self, _IMP_core.new_UnorderedTypeTripletPredicate(*args))
12426 def do_get_inputs(self, m, pis):
12427 r"""do_get_inputs(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12428 return _IMP_core.UnorderedTypeTripletPredicate_do_get_inputs(self, m, pis)
12430 def get_value(self, *args):
12432 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12433 get_value(UnorderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12435 return _IMP_core.UnorderedTypeTripletPredicate_get_value(self, *args)
12437 def get_value_index(self, *args):
12439 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12440 get_value_index(UnorderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12442 return _IMP_core.UnorderedTypeTripletPredicate_get_value_index(self, *args)
12444 def get_version_info(self):
12445 r"""get_version_info(UnorderedTypeTripletPredicate self) -> VersionInfo"""
12446 return _IMP_core.UnorderedTypeTripletPredicate_get_version_info(self)
12447 __swig_destroy__ = _IMP_core.delete_UnorderedTypeTripletPredicate
12450 r"""__str__(UnorderedTypeTripletPredicate self) -> std::string"""
12451 return _IMP_core.UnorderedTypeTripletPredicate___str__(self)
12453 def __repr__(self):
12454 r"""__repr__(UnorderedTypeTripletPredicate self) -> std::string"""
12455 return _IMP_core.UnorderedTypeTripletPredicate___repr__(self)
12459 return _object_cast_to_UnorderedTypeTripletPredicate(o)
12462 def _get_as_binary(self):
12463 r"""_get_as_binary(UnorderedTypeTripletPredicate self) -> PyObject *"""
12464 return _IMP_core.UnorderedTypeTripletPredicate__get_as_binary(self)
12466 def _set_from_binary(self, p):
12467 r"""_set_from_binary(UnorderedTypeTripletPredicate self, PyObject * p)"""
12468 return _IMP_core.UnorderedTypeTripletPredicate__set_from_binary(self, p)
12470 def __getstate__(self):
12471 p = self._get_as_binary()
12472 if len(self.__dict__) > 1:
12473 d = self.__dict__.copy()
12478 def __setstate__(self, p):
12479 if not hasattr(self,
'this'):
12481 if isinstance(p, tuple):
12483 self.__dict__.update(d)
12484 return self._set_from_binary(p)
12488 _IMP_core.UnorderedTypeTripletPredicate_swigregister(UnorderedTypeTripletPredicate)
12490 r"""Proxy of C++ IMP::core::OrderedTypeTripletPredicate class."""
12492 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12494 def __init__(self, *args):
12495 r"""__init__(OrderedTypeTripletPredicate self, std::string name="OrderedTypeTripletPredicate%1%") -> OrderedTypeTripletPredicate"""
12496 _IMP_core.OrderedTypeTripletPredicate_swiginit(self, _IMP_core.new_OrderedTypeTripletPredicate(*args))
12498 def do_get_inputs(self, m, pis):
12499 r"""do_get_inputs(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12500 return _IMP_core.OrderedTypeTripletPredicate_do_get_inputs(self, m, pis)
12502 def get_value(self, *args):
12504 get_value(OrderedTypeTripletPredicate self, IMP::core::ParticleTypes const & types) -> int
12505 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12506 get_value(OrderedTypeTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12508 return _IMP_core.OrderedTypeTripletPredicate_get_value(self, *args)
12510 def get_value_index(self, *args):
12512 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12513 get_value_index(OrderedTypeTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12515 return _IMP_core.OrderedTypeTripletPredicate_get_value_index(self, *args)
12517 def get_version_info(self):
12518 r"""get_version_info(OrderedTypeTripletPredicate self) -> VersionInfo"""
12519 return _IMP_core.OrderedTypeTripletPredicate_get_version_info(self)
12520 __swig_destroy__ = _IMP_core.delete_OrderedTypeTripletPredicate
12523 r"""__str__(OrderedTypeTripletPredicate self) -> std::string"""
12524 return _IMP_core.OrderedTypeTripletPredicate___str__(self)
12526 def __repr__(self):
12527 r"""__repr__(OrderedTypeTripletPredicate self) -> std::string"""
12528 return _IMP_core.OrderedTypeTripletPredicate___repr__(self)
12532 return _object_cast_to_OrderedTypeTripletPredicate(o)
12536 _IMP_core.OrderedTypeTripletPredicate_swigregister(OrderedTypeTripletPredicate)
12538 r"""Proxy of C++ IMP::core::AllSameTripletPredicate class."""
12540 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12542 def __init__(self, *args):
12543 r"""__init__(AllSameTripletPredicate self, std::string name="AllSameTripletPredicate%1%") -> AllSameTripletPredicate"""
12544 _IMP_core.AllSameTripletPredicate_swiginit(self, _IMP_core.new_AllSameTripletPredicate(*args))
12546 def do_get_inputs(self, arg2, arg3):
12547 r"""do_get_inputs(AllSameTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12548 return _IMP_core.AllSameTripletPredicate_do_get_inputs(self, arg2, arg3)
12550 def get_value(self, *args):
12552 get_value(AllSameTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12553 get_value(AllSameTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12555 return _IMP_core.AllSameTripletPredicate_get_value(self, *args)
12557 def get_value_index(self, *args):
12559 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplet const & pi) -> int
12560 get_value_index(AllSameTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12562 return _IMP_core.AllSameTripletPredicate_get_value_index(self, *args)
12564 def get_version_info(self):
12565 r"""get_version_info(AllSameTripletPredicate self) -> VersionInfo"""
12566 return _IMP_core.AllSameTripletPredicate_get_version_info(self)
12567 __swig_destroy__ = _IMP_core.delete_AllSameTripletPredicate
12570 r"""__str__(AllSameTripletPredicate self) -> std::string"""
12571 return _IMP_core.AllSameTripletPredicate___str__(self)
12573 def __repr__(self):
12574 r"""__repr__(AllSameTripletPredicate self) -> std::string"""
12575 return _IMP_core.AllSameTripletPredicate___repr__(self)
12579 return _object_cast_to_AllSameTripletPredicate(o)
12582 def _get_as_binary(self):
12583 r"""_get_as_binary(AllSameTripletPredicate self) -> PyObject *"""
12584 return _IMP_core.AllSameTripletPredicate__get_as_binary(self)
12586 def _set_from_binary(self, p):
12587 r"""_set_from_binary(AllSameTripletPredicate self, PyObject * p)"""
12588 return _IMP_core.AllSameTripletPredicate__set_from_binary(self, p)
12590 def __getstate__(self):
12591 p = self._get_as_binary()
12592 if len(self.__dict__) > 1:
12593 d = self.__dict__.copy()
12598 def __setstate__(self, p):
12599 if not hasattr(self,
'this'):
12601 if isinstance(p, tuple):
12603 self.__dict__.update(d)
12604 return self._set_from_binary(p)
12608 _IMP_core.AllSameTripletPredicate_swigregister(AllSameTripletPredicate)
12610 r"""Proxy of C++ IMP::core::CoinFlipTripletPredicate class."""
12612 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12614 def __init__(self, *args):
12615 r"""__init__(CoinFlipTripletPredicate self, double p, std::string name="CoinFlipTripletPredicate%1%") -> CoinFlipTripletPredicate"""
12616 _IMP_core.CoinFlipTripletPredicate_swiginit(self, _IMP_core.new_CoinFlipTripletPredicate(*args))
12618 def do_get_inputs(self, arg2, arg3):
12619 r"""do_get_inputs(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12620 return _IMP_core.CoinFlipTripletPredicate_do_get_inputs(self, arg2, arg3)
12622 def get_value(self, *args):
12624 get_value(CoinFlipTripletPredicate self, IMP::ParticleTriplet const & a) -> int
12625 get_value(CoinFlipTripletPredicate self, IMP::ParticleTripletsTemp const & o) -> IMP::Ints
12627 return _IMP_core.CoinFlipTripletPredicate_get_value(self, *args)
12629 def get_value_index(self, *args):
12631 get_value_index(CoinFlipTripletPredicate self, Model arg2, IMP::ParticleIndexTriplet const & arg3) -> int
12632 get_value_index(CoinFlipTripletPredicate self, Model m, IMP::ParticleIndexTriplets const & o) -> IMP::Ints
12634 return _IMP_core.CoinFlipTripletPredicate_get_value_index(self, *args)
12636 def get_version_info(self):
12637 r"""get_version_info(CoinFlipTripletPredicate self) -> VersionInfo"""
12638 return _IMP_core.CoinFlipTripletPredicate_get_version_info(self)
12639 __swig_destroy__ = _IMP_core.delete_CoinFlipTripletPredicate
12642 r"""__str__(CoinFlipTripletPredicate self) -> std::string"""
12643 return _IMP_core.CoinFlipTripletPredicate___str__(self)
12645 def __repr__(self):
12646 r"""__repr__(CoinFlipTripletPredicate self) -> std::string"""
12647 return _IMP_core.CoinFlipTripletPredicate___repr__(self)
12651 return _object_cast_to_CoinFlipTripletPredicate(o)
12655 _IMP_core.CoinFlipTripletPredicate_swigregister(CoinFlipTripletPredicate)
12657 r"""Proxy of C++ IMP::core::ConstantQuadPredicate class."""
12659 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12661 def __init__(self, *args):
12663 __init__(ConstantQuadPredicate self, int v, std::string name="ConstQuadPredicate%1%") -> ConstantQuadPredicate
12664 __init__(ConstantQuadPredicate self) -> ConstantQuadPredicate
12666 _IMP_core.ConstantQuadPredicate_swiginit(self, _IMP_core.new_ConstantQuadPredicate(*args))
12668 def do_get_inputs(self, arg2, arg3):
12669 r"""do_get_inputs(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12670 return _IMP_core.ConstantQuadPredicate_do_get_inputs(self, arg2, arg3)
12672 def get_value(self, *args):
12674 get_value(ConstantQuadPredicate self, IMP::ParticleQuad const & a) -> int
12675 get_value(ConstantQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
12677 return _IMP_core.ConstantQuadPredicate_get_value(self, *args)
12679 def get_value_index(self, *args):
12681 get_value_index(ConstantQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
12682 get_value_index(ConstantQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
12684 return _IMP_core.ConstantQuadPredicate_get_value_index(self, *args)
12686 def get_version_info(self):
12687 r"""get_version_info(ConstantQuadPredicate self) -> VersionInfo"""
12688 return _IMP_core.ConstantQuadPredicate_get_version_info(self)
12689 __swig_destroy__ = _IMP_core.delete_ConstantQuadPredicate
12692 r"""__str__(ConstantQuadPredicate self) -> std::string"""
12693 return _IMP_core.ConstantQuadPredicate___str__(self)
12695 def __repr__(self):
12696 r"""__repr__(ConstantQuadPredicate self) -> std::string"""
12697 return _IMP_core.ConstantQuadPredicate___repr__(self)
12701 return _object_cast_to_ConstantQuadPredicate(o)
12704 def _get_as_binary(self):
12705 r"""_get_as_binary(ConstantQuadPredicate self) -> PyObject *"""
12706 return _IMP_core.ConstantQuadPredicate__get_as_binary(self)
12708 def _set_from_binary(self, p):
12709 r"""_set_from_binary(ConstantQuadPredicate self, PyObject * p)"""
12710 return _IMP_core.ConstantQuadPredicate__set_from_binary(self, p)
12712 def __getstate__(self):
12713 p = self._get_as_binary()
12714 if len(self.__dict__) > 1:
12715 d = self.__dict__.copy()
12720 def __setstate__(self, p):
12721 if not hasattr(self,
'this'):
12723 if isinstance(p, tuple):
12725 self.__dict__.update(d)
12726 return self._set_from_binary(p)
12730 _IMP_core.ConstantQuadPredicate_swigregister(ConstantQuadPredicate)
12732 r"""Proxy of C++ IMP::core::UnorderedTypeQuadPredicate class."""
12734 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12736 def __init__(self, *args):
12737 r"""__init__(UnorderedTypeQuadPredicate self, std::string name="UnorderedTypeQuadPredicate%1%") -> UnorderedTypeQuadPredicate"""
12738 _IMP_core.UnorderedTypeQuadPredicate_swiginit(self, _IMP_core.new_UnorderedTypeQuadPredicate(*args))
12740 def do_get_inputs(self, m, pis):
12741 r"""do_get_inputs(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12742 return _IMP_core.UnorderedTypeQuadPredicate_do_get_inputs(self, m, pis)
12744 def get_value(self, *args):
12746 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
12747 get_value(UnorderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
12749 return _IMP_core.UnorderedTypeQuadPredicate_get_value(self, *args)
12751 def get_value_index(self, *args):
12753 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
12754 get_value_index(UnorderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
12756 return _IMP_core.UnorderedTypeQuadPredicate_get_value_index(self, *args)
12758 def get_version_info(self):
12759 r"""get_version_info(UnorderedTypeQuadPredicate self) -> VersionInfo"""
12760 return _IMP_core.UnorderedTypeQuadPredicate_get_version_info(self)
12761 __swig_destroy__ = _IMP_core.delete_UnorderedTypeQuadPredicate
12764 r"""__str__(UnorderedTypeQuadPredicate self) -> std::string"""
12765 return _IMP_core.UnorderedTypeQuadPredicate___str__(self)
12767 def __repr__(self):
12768 r"""__repr__(UnorderedTypeQuadPredicate self) -> std::string"""
12769 return _IMP_core.UnorderedTypeQuadPredicate___repr__(self)
12773 return _object_cast_to_UnorderedTypeQuadPredicate(o)
12776 def _get_as_binary(self):
12777 r"""_get_as_binary(UnorderedTypeQuadPredicate self) -> PyObject *"""
12778 return _IMP_core.UnorderedTypeQuadPredicate__get_as_binary(self)
12780 def _set_from_binary(self, p):
12781 r"""_set_from_binary(UnorderedTypeQuadPredicate self, PyObject * p)"""
12782 return _IMP_core.UnorderedTypeQuadPredicate__set_from_binary(self, p)
12784 def __getstate__(self):
12785 p = self._get_as_binary()
12786 if len(self.__dict__) > 1:
12787 d = self.__dict__.copy()
12792 def __setstate__(self, p):
12793 if not hasattr(self,
'this'):
12795 if isinstance(p, tuple):
12797 self.__dict__.update(d)
12798 return self._set_from_binary(p)
12802 _IMP_core.UnorderedTypeQuadPredicate_swigregister(UnorderedTypeQuadPredicate)
12804 r"""Proxy of C++ IMP::core::OrderedTypeQuadPredicate class."""
12806 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12808 def __init__(self, *args):
12809 r"""__init__(OrderedTypeQuadPredicate self, std::string name="OrderedTypeQuadPredicate%1%") -> OrderedTypeQuadPredicate"""
12810 _IMP_core.OrderedTypeQuadPredicate_swiginit(self, _IMP_core.new_OrderedTypeQuadPredicate(*args))
12812 def do_get_inputs(self, m, pis):
12813 r"""do_get_inputs(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12814 return _IMP_core.OrderedTypeQuadPredicate_do_get_inputs(self, m, pis)
12816 def get_value(self, *args):
12818 get_value(OrderedTypeQuadPredicate self, IMP::core::ParticleTypes const & types) -> int
12819 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuad const & a) -> int
12820 get_value(OrderedTypeQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
12822 return _IMP_core.OrderedTypeQuadPredicate_get_value(self, *args)
12824 def get_value_index(self, *args):
12826 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
12827 get_value_index(OrderedTypeQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
12829 return _IMP_core.OrderedTypeQuadPredicate_get_value_index(self, *args)
12831 def get_version_info(self):
12832 r"""get_version_info(OrderedTypeQuadPredicate self) -> VersionInfo"""
12833 return _IMP_core.OrderedTypeQuadPredicate_get_version_info(self)
12834 __swig_destroy__ = _IMP_core.delete_OrderedTypeQuadPredicate
12837 r"""__str__(OrderedTypeQuadPredicate self) -> std::string"""
12838 return _IMP_core.OrderedTypeQuadPredicate___str__(self)
12840 def __repr__(self):
12841 r"""__repr__(OrderedTypeQuadPredicate self) -> std::string"""
12842 return _IMP_core.OrderedTypeQuadPredicate___repr__(self)
12846 return _object_cast_to_OrderedTypeQuadPredicate(o)
12850 _IMP_core.OrderedTypeQuadPredicate_swigregister(OrderedTypeQuadPredicate)
12852 r"""Proxy of C++ IMP::core::AllSameQuadPredicate class."""
12854 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12856 def __init__(self, *args):
12857 r"""__init__(AllSameQuadPredicate self, std::string name="AllSameQuadPredicate%1%") -> AllSameQuadPredicate"""
12858 _IMP_core.AllSameQuadPredicate_swiginit(self, _IMP_core.new_AllSameQuadPredicate(*args))
12860 def do_get_inputs(self, arg2, arg3):
12861 r"""do_get_inputs(AllSameQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12862 return _IMP_core.AllSameQuadPredicate_do_get_inputs(self, arg2, arg3)
12864 def get_value(self, *args):
12866 get_value(AllSameQuadPredicate self, IMP::ParticleQuad const & a) -> int
12867 get_value(AllSameQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
12869 return _IMP_core.AllSameQuadPredicate_get_value(self, *args)
12871 def get_value_index(self, *args):
12873 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuad const & pi) -> int
12874 get_value_index(AllSameQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
12876 return _IMP_core.AllSameQuadPredicate_get_value_index(self, *args)
12878 def get_version_info(self):
12879 r"""get_version_info(AllSameQuadPredicate self) -> VersionInfo"""
12880 return _IMP_core.AllSameQuadPredicate_get_version_info(self)
12881 __swig_destroy__ = _IMP_core.delete_AllSameQuadPredicate
12884 r"""__str__(AllSameQuadPredicate self) -> std::string"""
12885 return _IMP_core.AllSameQuadPredicate___str__(self)
12887 def __repr__(self):
12888 r"""__repr__(AllSameQuadPredicate self) -> std::string"""
12889 return _IMP_core.AllSameQuadPredicate___repr__(self)
12893 return _object_cast_to_AllSameQuadPredicate(o)
12896 def _get_as_binary(self):
12897 r"""_get_as_binary(AllSameQuadPredicate self) -> PyObject *"""
12898 return _IMP_core.AllSameQuadPredicate__get_as_binary(self)
12900 def _set_from_binary(self, p):
12901 r"""_set_from_binary(AllSameQuadPredicate self, PyObject * p)"""
12902 return _IMP_core.AllSameQuadPredicate__set_from_binary(self, p)
12904 def __getstate__(self):
12905 p = self._get_as_binary()
12906 if len(self.__dict__) > 1:
12907 d = self.__dict__.copy()
12912 def __setstate__(self, p):
12913 if not hasattr(self,
'this'):
12915 if isinstance(p, tuple):
12917 self.__dict__.update(d)
12918 return self._set_from_binary(p)
12922 _IMP_core.AllSameQuadPredicate_swigregister(AllSameQuadPredicate)
12924 r"""Proxy of C++ IMP::core::CoinFlipQuadPredicate class."""
12926 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12928 def __init__(self, *args):
12929 r"""__init__(CoinFlipQuadPredicate self, double p, std::string name="CoinFlipQuadPredicate%1%") -> CoinFlipQuadPredicate"""
12930 _IMP_core.CoinFlipQuadPredicate_swiginit(self, _IMP_core.new_CoinFlipQuadPredicate(*args))
12932 def do_get_inputs(self, arg2, arg3):
12933 r"""do_get_inputs(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexes const & arg3) -> IMP::ModelObjectsTemp"""
12934 return _IMP_core.CoinFlipQuadPredicate_do_get_inputs(self, arg2, arg3)
12936 def get_value(self, *args):
12938 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuad const & a) -> int
12939 get_value(CoinFlipQuadPredicate self, IMP::ParticleQuadsTemp const & o) -> IMP::Ints
12941 return _IMP_core.CoinFlipQuadPredicate_get_value(self, *args)
12943 def get_value_index(self, *args):
12945 get_value_index(CoinFlipQuadPredicate self, Model arg2, IMP::ParticleIndexQuad const & arg3) -> int
12946 get_value_index(CoinFlipQuadPredicate self, Model m, IMP::ParticleIndexQuads const & o) -> IMP::Ints
12948 return _IMP_core.CoinFlipQuadPredicate_get_value_index(self, *args)
12950 def get_version_info(self):
12951 r"""get_version_info(CoinFlipQuadPredicate self) -> VersionInfo"""
12952 return _IMP_core.CoinFlipQuadPredicate_get_version_info(self)
12953 __swig_destroy__ = _IMP_core.delete_CoinFlipQuadPredicate
12956 r"""__str__(CoinFlipQuadPredicate self) -> std::string"""
12957 return _IMP_core.CoinFlipQuadPredicate___str__(self)
12959 def __repr__(self):
12960 r"""__repr__(CoinFlipQuadPredicate self) -> std::string"""
12961 return _IMP_core.CoinFlipQuadPredicate___repr__(self)
12965 return _object_cast_to_CoinFlipQuadPredicate(o)
12969 _IMP_core.CoinFlipQuadPredicate_swigregister(CoinFlipQuadPredicate)
12971 r"""Proxy of C++ IMP::core::InBoundingBox3DSingletonPredicate class."""
12973 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
12975 def __init__(self, *args):
12976 r"""__init__(InBoundingBox3DSingletonPredicate self, BoundingBox3D bb, std::string name="InBoundingBox3DSingletonPredicate%1%") -> InBoundingBox3DSingletonPredicate"""
12977 _IMP_core.InBoundingBox3DSingletonPredicate_swiginit(self, _IMP_core.new_InBoundingBox3DSingletonPredicate(*args))
12979 def do_get_inputs(self, m, pi):
12980 r"""do_get_inputs(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
12981 return _IMP_core.InBoundingBox3DSingletonPredicate_do_get_inputs(self, m, pi)
12983 def get_value(self, *args):
12985 get_value(InBoundingBox3DSingletonPredicate self, Particle a) -> int
12986 get_value(InBoundingBox3DSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
12988 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value(self, *args)
12990 def get_value_index(self, *args):
12992 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, ParticleIndex pi) -> int
12993 get_value_index(InBoundingBox3DSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
12995 return _IMP_core.InBoundingBox3DSingletonPredicate_get_value_index(self, *args)
12997 def get_version_info(self):
12998 r"""get_version_info(InBoundingBox3DSingletonPredicate self) -> VersionInfo"""
12999 return _IMP_core.InBoundingBox3DSingletonPredicate_get_version_info(self)
13000 __swig_destroy__ = _IMP_core.delete_InBoundingBox3DSingletonPredicate
13003 r"""__str__(InBoundingBox3DSingletonPredicate self) -> std::string"""
13004 return _IMP_core.InBoundingBox3DSingletonPredicate___str__(self)
13006 def __repr__(self):
13007 r"""__repr__(InBoundingBox3DSingletonPredicate self) -> std::string"""
13008 return _IMP_core.InBoundingBox3DSingletonPredicate___repr__(self)
13012 return _object_cast_to_InBoundingBox3DSingletonPredicate(o)
13016 _IMP_core.InBoundingBox3DSingletonPredicate_swigregister(InBoundingBox3DSingletonPredicate)
13018 r"""Proxy of C++ IMP::core::AttributeSingletonPredicate class."""
13020 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13022 def __init__(self, *args):
13023 r"""__init__(AttributeSingletonPredicate self, IntKey bb, std::string name="AttributeSingletonPredicate%1%") -> AttributeSingletonPredicate"""
13024 _IMP_core.AttributeSingletonPredicate_swiginit(self, _IMP_core.new_AttributeSingletonPredicate(*args))
13026 def do_get_inputs(self, m, pi):
13027 r"""do_get_inputs(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13028 return _IMP_core.AttributeSingletonPredicate_do_get_inputs(self, m, pi)
13030 def get_value(self, *args):
13032 get_value(AttributeSingletonPredicate self, Particle a) -> int
13033 get_value(AttributeSingletonPredicate self, IMP::ParticlesTemp const & o) -> IMP::Ints
13035 return _IMP_core.AttributeSingletonPredicate_get_value(self, *args)
13037 def get_value_index(self, *args):
13039 get_value_index(AttributeSingletonPredicate self, Model m, ParticleIndex pi) -> int
13040 get_value_index(AttributeSingletonPredicate self, Model m, IMP::ParticleIndexes const & o) -> IMP::Ints
13042 return _IMP_core.AttributeSingletonPredicate_get_value_index(self, *args)
13044 def get_version_info(self):
13045 r"""get_version_info(AttributeSingletonPredicate self) -> VersionInfo"""
13046 return _IMP_core.AttributeSingletonPredicate_get_version_info(self)
13047 __swig_destroy__ = _IMP_core.delete_AttributeSingletonPredicate
13050 r"""__str__(AttributeSingletonPredicate self) -> std::string"""
13051 return _IMP_core.AttributeSingletonPredicate___str__(self)
13053 def __repr__(self):
13054 r"""__repr__(AttributeSingletonPredicate self) -> std::string"""
13055 return _IMP_core.AttributeSingletonPredicate___repr__(self)
13059 return _object_cast_to_AttributeSingletonPredicate(o)
13063 _IMP_core.AttributeSingletonPredicate_swigregister(AttributeSingletonPredicate)
13065 r"""Proxy of C++ IMP::core::IsCollisionPairPredicate class."""
13067 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13069 def __init__(self, *args):
13070 r"""__init__(IsCollisionPairPredicate self, std::string name="CollisionPairPredicate%1%") -> IsCollisionPairPredicate"""
13071 _IMP_core.IsCollisionPairPredicate_swiginit(self, _IMP_core.new_IsCollisionPairPredicate(*args))
13073 def do_get_inputs(self, m, pi):
13074 r"""do_get_inputs(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexes const & pi) -> IMP::ModelObjectsTemp"""
13075 return _IMP_core.IsCollisionPairPredicate_do_get_inputs(self, m, pi)
13077 def get_value(self, *args):
13079 get_value(IsCollisionPairPredicate self, IMP::ParticlePair const & a) -> int
13080 get_value(IsCollisionPairPredicate self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
13082 return _IMP_core.IsCollisionPairPredicate_get_value(self, *args)
13084 def get_value_index(self, *args):
13086 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPair const & pi) -> int
13087 get_value_index(IsCollisionPairPredicate self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
13089 return _IMP_core.IsCollisionPairPredicate_get_value_index(self, *args)
13091 def get_version_info(self):
13092 r"""get_version_info(IsCollisionPairPredicate self) -> VersionInfo"""
13093 return _IMP_core.IsCollisionPairPredicate_get_version_info(self)
13094 __swig_destroy__ = _IMP_core.delete_IsCollisionPairPredicate
13097 r"""__str__(IsCollisionPairPredicate self) -> std::string"""
13098 return _IMP_core.IsCollisionPairPredicate___str__(self)
13100 def __repr__(self):
13101 r"""__repr__(IsCollisionPairPredicate self) -> std::string"""
13102 return _IMP_core.IsCollisionPairPredicate___repr__(self)
13106 return _object_cast_to_IsCollisionPairPredicate(o)
13110 _IMP_core.IsCollisionPairPredicate_swigregister(IsCollisionPairPredicate)
13111 class AngleRestraint(TripletRestraint):
13112 r"""Proxy of C++ IMP::core::AngleRestraint class."""
13114 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13116 def __init__(self, *args):
13118 __init__(AngleRestraint self, Model m, UnaryFunction score_func, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3) -> AngleRestraint
13119 __init__(AngleRestraint self) -> AngleRestraint
13121 _IMP_core.AngleRestraint_swiginit(self, _IMP_core.new_AngleRestraint(*args))
13122 __swig_destroy__ = _IMP_core.delete_AngleRestraint
13125 r"""__str__(AngleRestraint self) -> std::string"""
13126 return _IMP_core.AngleRestraint___str__(self)
13128 def __repr__(self):
13129 r"""__repr__(AngleRestraint self) -> std::string"""
13130 return _IMP_core.AngleRestraint___repr__(self)
13134 return _object_cast_to_AngleRestraint(o)
13137 def _get_as_binary(self):
13138 r"""_get_as_binary(AngleRestraint self) -> PyObject *"""
13139 return _IMP_core.AngleRestraint__get_as_binary(self)
13141 def _set_from_binary(self, p):
13142 r"""_set_from_binary(AngleRestraint self, PyObject * p)"""
13143 return _IMP_core.AngleRestraint__set_from_binary(self, p)
13145 def __getstate__(self):
13146 p = self._get_as_binary()
13147 if len(self.__dict__) > 1:
13148 d = self.__dict__.copy()
13153 def __setstate__(self, p):
13154 if not hasattr(self,
'this'):
13156 if isinstance(p, tuple):
13158 self.__dict__.update(d)
13159 return self._set_from_binary(p)
13163 _IMP_core.AngleRestraint_swigregister(AngleRestraint)
13164 class RigidBodyMover(MonteCarloMover):
13165 r"""Proxy of C++ IMP::core::RigidBodyMover class."""
13167 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13169 def __init__(self, *args):
13171 __init__(RigidBodyMover self, Model m, ParticleIndex pi, IMP::Float max_translation, IMP::Float max_rotation) -> RigidBodyMover
13172 __init__(RigidBodyMover self) -> RigidBodyMover
13174 _IMP_core.RigidBodyMover_swiginit(self, _IMP_core.new_RigidBodyMover(*args))
13176 def set_maximum_translation(self, mt):
13177 r"""set_maximum_translation(RigidBodyMover self, IMP::Float mt)"""
13178 return _IMP_core.RigidBodyMover_set_maximum_translation(self, mt)
13180 def set_maximum_rotation(self, mr):
13181 r"""set_maximum_rotation(RigidBodyMover self, IMP::Float mr)"""
13182 return _IMP_core.RigidBodyMover_set_maximum_rotation(self, mr)
13184 def get_maximum_translation(self):
13185 r"""get_maximum_translation(RigidBodyMover self) -> IMP::Float"""
13186 return _IMP_core.RigidBodyMover_get_maximum_translation(self)
13188 def get_maximum_rotation(self):
13189 r"""get_maximum_rotation(RigidBodyMover self) -> IMP::Float"""
13190 return _IMP_core.RigidBodyMover_get_maximum_rotation(self)
13192 def get_version_info(self):
13193 r"""get_version_info(RigidBodyMover self) -> VersionInfo"""
13194 return _IMP_core.RigidBodyMover_get_version_info(self)
13195 __swig_destroy__ = _IMP_core.delete_RigidBodyMover
13198 r"""__str__(RigidBodyMover self) -> std::string"""
13199 return _IMP_core.RigidBodyMover___str__(self)
13201 def __repr__(self):
13202 r"""__repr__(RigidBodyMover self) -> std::string"""
13203 return _IMP_core.RigidBodyMover___repr__(self)
13207 return _object_cast_to_RigidBodyMover(o)
13210 def _get_as_binary(self):
13211 r"""_get_as_binary(RigidBodyMover self) -> PyObject *"""
13212 return _IMP_core.RigidBodyMover__get_as_binary(self)
13214 def _set_from_binary(self, p):
13215 r"""_set_from_binary(RigidBodyMover self, PyObject * p)"""
13216 return _IMP_core.RigidBodyMover__set_from_binary(self, p)
13218 def __getstate__(self):
13219 p = self._get_as_binary()
13220 if len(self.__dict__) > 1:
13221 d = self.__dict__.copy()
13226 def __setstate__(self, p):
13227 if not hasattr(self,
'this'):
13229 if isinstance(p, tuple):
13231 self.__dict__.update(d)
13232 return self._set_from_binary(p)
13236 _IMP_core.RigidBodyMover_swigregister(RigidBodyMover)
13237 class RigidBodyTunneler(MonteCarloMover):
13238 r"""Proxy of C++ IMP::core::RigidBodyTunneler class."""
13240 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13242 def __init__(self, m, pis, ref, k, move_probability=1.):
13243 r"""__init__(RigidBodyTunneler self, Model m, IMP::ParticleIndexes pis, ParticleIndex ref, double k, double move_probability=1.) -> RigidBodyTunneler"""
13244 _IMP_core.RigidBodyTunneler_swiginit(self, _IMP_core.new_RigidBodyTunneler(m, pis, ref, k, move_probability))
13246 def add_entry_point(self, fl):
13247 r"""add_entry_point(RigidBodyTunneler self, IMP::Floats fl)"""
13248 return _IMP_core.RigidBodyTunneler_add_entry_point(self, fl)
13250 def reset_stats(self):
13251 r"""reset_stats(RigidBodyTunneler self)"""
13252 return _IMP_core.RigidBodyTunneler_reset_stats(self)
13254 def get_number_of_rejected_moves(self):
13255 r"""get_number_of_rejected_moves(RigidBodyTunneler self) -> unsigned int"""
13256 return _IMP_core.RigidBodyTunneler_get_number_of_rejected_moves(self)
13258 def get_number_of_proposed_moves(self):
13259 r"""get_number_of_proposed_moves(RigidBodyTunneler self) -> unsigned int"""
13260 return _IMP_core.RigidBodyTunneler_get_number_of_proposed_moves(self)
13262 def get_number_of_impossible_moves(self):
13263 r"""get_number_of_impossible_moves(RigidBodyTunneler self) -> unsigned int"""
13264 return _IMP_core.RigidBodyTunneler_get_number_of_impossible_moves(self)
13266 def get_number_of_calls(self):
13267 r"""get_number_of_calls(RigidBodyTunneler self) -> unsigned int"""
13268 return _IMP_core.RigidBodyTunneler_get_number_of_calls(self)
13271 def get_reduced_coordinates(*args):
13273 get_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref) -> IMP::Floats
13274 get_reduced_coordinates(Model m, ParticleIndex pi) -> IMP::Floats
13276 return _IMP_core.RigidBodyTunneler_get_reduced_coordinates(*args)
13279 def set_reduced_coordinates(m, target, ref, coords):
13280 r"""set_reduced_coordinates(Model m, ParticleIndex target, ParticleIndex ref, IMP::Floats coords)"""
13281 return _IMP_core.RigidBodyTunneler_set_reduced_coordinates(m, target, ref, coords)
13283 def get_version_info(self):
13284 r"""get_version_info(RigidBodyTunneler self) -> VersionInfo"""
13285 return _IMP_core.RigidBodyTunneler_get_version_info(self)
13286 __swig_destroy__ = _IMP_core.delete_RigidBodyTunneler
13289 r"""__str__(RigidBodyTunneler self) -> std::string"""
13290 return _IMP_core.RigidBodyTunneler___str__(self)
13292 def __repr__(self):
13293 r"""__repr__(RigidBodyTunneler self) -> std::string"""
13294 return _IMP_core.RigidBodyTunneler___repr__(self)
13298 return _object_cast_to_RigidBodyTunneler(o)
13302 _IMP_core.RigidBodyTunneler_swigregister(RigidBodyTunneler)
13304 r"""Proxy of C++ IMP::core::RigidBodyUmbrella class."""
13306 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13308 def __init__(self, *args):
13310 __init__(RigidBodyUmbrella self, Model m, ParticleIndex pi, ParticleIndex ref, IMP::Floats x0, double alpha, double k, std::string name="RigidBodyUmbrella %1%") -> RigidBodyUmbrella
13311 __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
13313 _IMP_core.RigidBodyUmbrella_swiginit(self, _IMP_core.new_RigidBodyUmbrella(*args))
13315 def set_x0(self, *args):
13317 set_x0(RigidBodyUmbrella self, IMP::Floats x0)
13318 set_x0(RigidBodyUmbrella self, double _lambda, IMP::Floats x1, IMP::Floats x2)
13320 return _IMP_core.RigidBodyUmbrella_set_x0(self, *args)
13323 r"""get_x0(RigidBodyUmbrella self) -> IMP::Floats"""
13324 return _IMP_core.RigidBodyUmbrella_get_x0(self)
13327 r"""get_x(RigidBodyUmbrella self) -> IMP::Floats"""
13328 return _IMP_core.RigidBodyUmbrella_get_x(self)
13330 def set_alpha(self, alpha):
13331 r"""set_alpha(RigidBodyUmbrella self, double alpha)"""
13332 return _IMP_core.RigidBodyUmbrella_set_alpha(self, alpha)
13334 def set_k(self, k):
13335 r"""set_k(RigidBodyUmbrella self, double k)"""
13336 return _IMP_core.RigidBodyUmbrella_set_k(self, k)
13338 def get_version_info(self):
13339 r"""get_version_info(RigidBodyUmbrella self) -> VersionInfo"""
13340 return _IMP_core.RigidBodyUmbrella_get_version_info(self)
13341 __swig_destroy__ = _IMP_core.delete_RigidBodyUmbrella
13344 r"""__str__(RigidBodyUmbrella self) -> std::string"""
13345 return _IMP_core.RigidBodyUmbrella___str__(self)
13347 def __repr__(self):
13348 r"""__repr__(RigidBodyUmbrella self) -> std::string"""
13349 return _IMP_core.RigidBodyUmbrella___repr__(self)
13353 return _object_cast_to_RigidBodyUmbrella(o)
13357 _IMP_core.RigidBodyUmbrella_swigregister(RigidBodyUmbrella)
13359 r"""Proxy of C++ IMP::core::VolumeRestraint class."""
13361 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13363 def __init__(self, f, sc, volume):
13364 r"""__init__(VolumeRestraint self, UnaryFunction f, SingletonContainer sc, double volume) -> VolumeRestraint"""
13365 _IMP_core.VolumeRestraint_swiginit(self, _IMP_core.new_VolumeRestraint(f, sc, volume))
13367 def do_get_inputs(self):
13368 r"""do_get_inputs(VolumeRestraint self) -> IMP::ModelObjectsTemp"""
13369 return _IMP_core.VolumeRestraint_do_get_inputs(self)
13371 def get_version_info(self):
13372 r"""get_version_info(VolumeRestraint self) -> VersionInfo"""
13373 return _IMP_core.VolumeRestraint_get_version_info(self)
13374 __swig_destroy__ = _IMP_core.delete_VolumeRestraint
13377 r"""__str__(VolumeRestraint self) -> std::string"""
13378 return _IMP_core.VolumeRestraint___str__(self)
13380 def __repr__(self):
13381 r"""__repr__(VolumeRestraint self) -> std::string"""
13382 return _IMP_core.VolumeRestraint___repr__(self)
13386 return _object_cast_to_VolumeRestraint(o)
13390 _IMP_core.VolumeRestraint_swigregister(VolumeRestraint)
13393 r"""get_centroid(IMP::core::XYZs const & ps) -> Vector3D"""
13394 return _IMP_core.get_centroid(ps)
13397 r"""get_bounding_box(IMP::core::XYZRs const & ps) -> BoundingBox3D"""
13398 return _IMP_core.get_bounding_box(ps)
13400 r"""Proxy of C++ IMP::core::MoveStatisticsScoreState class."""
13402 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13404 def __init__(self, ps):
13405 r"""__init__(MoveStatisticsScoreState self, IMP::ParticlesTemp const & ps) -> MoveStatisticsScoreState"""
13406 _IMP_core.MoveStatisticsScoreState_swiginit(self, _IMP_core.new_MoveStatisticsScoreState(ps))
13408 def show_statistics(self, *args):
13409 r"""show_statistics(MoveStatisticsScoreState self, _ostream out=std::cout)"""
13410 return _IMP_core.MoveStatisticsScoreState_show_statistics(self, *args)
13413 r"""reset(MoveStatisticsScoreState self)"""
13414 return _IMP_core.MoveStatisticsScoreState_reset(self)
13416 def do_before_evaluate(self):
13417 r"""do_before_evaluate(MoveStatisticsScoreState self)"""
13418 return _IMP_core.MoveStatisticsScoreState_do_before_evaluate(self)
13420 def do_after_evaluate(self, da):
13421 r"""do_after_evaluate(MoveStatisticsScoreState self, DerivativeAccumulator da)"""
13422 return _IMP_core.MoveStatisticsScoreState_do_after_evaluate(self, da)
13424 def do_get_inputs(self):
13425 r"""do_get_inputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
13426 return _IMP_core.MoveStatisticsScoreState_do_get_inputs(self)
13428 def do_get_outputs(self):
13429 r"""do_get_outputs(MoveStatisticsScoreState self) -> IMP::ModelObjectsTemp"""
13430 return _IMP_core.MoveStatisticsScoreState_do_get_outputs(self)
13432 def get_version_info(self):
13433 r"""get_version_info(MoveStatisticsScoreState self) -> VersionInfo"""
13434 return _IMP_core.MoveStatisticsScoreState_get_version_info(self)
13435 __swig_destroy__ = _IMP_core.delete_MoveStatisticsScoreState
13438 r"""__str__(MoveStatisticsScoreState self) -> std::string"""
13439 return _IMP_core.MoveStatisticsScoreState___str__(self)
13441 def __repr__(self):
13442 r"""__repr__(MoveStatisticsScoreState self) -> std::string"""
13443 return _IMP_core.MoveStatisticsScoreState___repr__(self)
13447 return _object_cast_to_MoveStatisticsScoreState(o)
13451 _IMP_core.MoveStatisticsScoreState_swigregister(MoveStatisticsScoreState)
13452 IMP_PARTICLE_TYPE_INDEX = _IMP_core.IMP_PARTICLE_TYPE_INDEX
13455 r"""Proxy of C++ IMP::core::Typed class."""
13457 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13460 def get_type_key():
13461 r"""get_type_key() -> IntKey"""
13462 return _IMP_core.Typed_get_type_key()
13464 def __init__(self, *args):
13466 __init__(Typed self) -> Typed
13467 __init__(Typed self, Model m, ParticleIndex id) -> Typed
13468 __init__(Typed self, _ParticleAdaptor d) -> Typed
13470 _IMP_core.Typed_swiginit(self, _IMP_core.new_Typed(*args))
13472 def show(self, *args):
13473 r"""show(Typed self, _ostream out=std::cout)"""
13474 return _IMP_core.Typed_show(self, *args)
13477 def setup_particle(*args):
13479 setup_particle(Model m, ParticleIndex pi, ParticleType t) -> Typed
13480 setup_particle(_ParticleAdaptor pa, ParticleType t) -> Typed
13482 return _IMP_core.Typed_setup_particle(*args)
13485 def get_is_setup(*args):
13487 get_is_setup(_ParticleAdaptor p) -> bool
13488 get_is_setup(Model m, ParticleIndex pi) -> bool
13490 return _IMP_core.Typed_get_is_setup(*args)
13492 def get_type(self):
13493 r"""get_type(Typed self) -> ParticleType"""
13494 return _IMP_core.Typed_get_type(self)
13496 def set_type(self, pt):
13497 r"""set_type(Typed self, ParticleType pt)"""
13498 return _IMP_core.Typed_set_type(self, pt)
13500 def add_attribute(self, *args):
13502 add_attribute(Typed self, FloatKey k, IMP::Float v, bool opt)
13503 add_attribute(Typed self, FloatKey a0, IMP::Float a1)
13504 add_attribute(Typed self, IntKey a0, IMP::Int a1)
13505 add_attribute(Typed self, FloatsKey a0, IMP::Floats a1)
13506 add_attribute(Typed self, IntsKey a0, IMP::Ints a1)
13507 add_attribute(Typed self, StringKey a0, IMP::String a1)
13508 add_attribute(Typed self, ParticleIndexKey a0, Particle a1)
13509 add_attribute(Typed self, ObjectKey a0, Object a1)
13510 add_attribute(Typed self, SparseFloatKey a0, IMP::Float a1)
13511 add_attribute(Typed self, SparseIntKey a0, IMP::Int a1)
13512 add_attribute(Typed self, SparseStringKey a0, IMP::String a1)
13513 add_attribute(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
13515 return _IMP_core.Typed_add_attribute(self, *args)
13517 def get_value(self, *args):
13519 get_value(Typed self, FloatKey a0) -> IMP::Float
13520 get_value(Typed self, IntKey a0) -> IMP::Int
13521 get_value(Typed self, FloatsKey a0) -> IMP::Floats
13522 get_value(Typed self, IntsKey a0) -> IMP::Ints
13523 get_value(Typed self, StringKey a0) -> IMP::String
13524 get_value(Typed self, ParticleIndexKey a0) -> Particle
13525 get_value(Typed self, ObjectKey a0) -> Object
13526 get_value(Typed self, SparseFloatKey a0) -> IMP::Float
13527 get_value(Typed self, SparseIntKey a0) -> IMP::Int
13528 get_value(Typed self, SparseStringKey a0) -> IMP::String
13529 get_value(Typed self, SparseParticleIndexKey a0) -> ParticleIndex
13531 return _IMP_core.Typed_get_value(self, *args)
13533 def set_value(self, *args):
13535 set_value(Typed self, FloatKey a0, IMP::Float a1)
13536 set_value(Typed self, IntKey a0, IMP::Int a1)
13537 set_value(Typed self, FloatsKey a0, IMP::Floats a1)
13538 set_value(Typed self, IntsKey a0, IMP::Ints a1)
13539 set_value(Typed self, StringKey a0, IMP::String a1)
13540 set_value(Typed self, ParticleIndexKey a0, Particle a1)
13541 set_value(Typed self, ObjectKey a0, Object a1)
13542 set_value(Typed self, SparseFloatKey a0, IMP::Float a1)
13543 set_value(Typed self, SparseIntKey a0, IMP::Int a1)
13544 set_value(Typed self, SparseStringKey a0, IMP::String a1)
13545 set_value(Typed self, SparseParticleIndexKey a0, ParticleIndex a1)
13547 return _IMP_core.Typed_set_value(self, *args)
13549 def remove_attribute(self, *args):
13551 remove_attribute(Typed self, FloatKey a0)
13552 remove_attribute(Typed self, IntKey a0)
13553 remove_attribute(Typed self, FloatsKey a0)
13554 remove_attribute(Typed self, IntsKey a0)
13555 remove_attribute(Typed self, StringKey a0)
13556 remove_attribute(Typed self, ParticleIndexKey a0)
13557 remove_attribute(Typed self, ObjectKey a0)
13558 remove_attribute(Typed self, SparseFloatKey a0)
13559 remove_attribute(Typed self, SparseIntKey a0)
13560 remove_attribute(Typed self, SparseStringKey a0)
13561 remove_attribute(Typed self, SparseParticleIndexKey a0)
13563 return _IMP_core.Typed_remove_attribute(self, *args)
13565 def has_attribute(self, *args):
13567 has_attribute(Typed self, FloatKey a0) -> bool
13568 has_attribute(Typed self, IntKey a0) -> bool
13569 has_attribute(Typed self, FloatsKey a0) -> bool
13570 has_attribute(Typed self, IntsKey a0) -> bool
13571 has_attribute(Typed self, StringKey a0) -> bool
13572 has_attribute(Typed self, ParticleIndexKey a0) -> bool
13573 has_attribute(Typed self, ObjectKey a0) -> bool
13574 has_attribute(Typed self, SparseFloatKey a0) -> bool
13575 has_attribute(Typed self, SparseIntKey a0) -> bool
13576 has_attribute(Typed self, SparseStringKey a0) -> bool
13577 has_attribute(Typed self, SparseParticleIndexKey a0) -> bool
13579 return _IMP_core.Typed_has_attribute(self, *args)
13581 def get_derivative(self, a0):
13582 r"""get_derivative(Typed self, FloatKey a0) -> double"""
13583 return _IMP_core.Typed_get_derivative(self, a0)
13585 def get_name(self):
13586 r"""get_name(Typed self) -> std::string"""
13587 return _IMP_core.Typed_get_name(self)
13589 def clear_caches(self):
13590 r"""clear_caches(Typed self)"""
13591 return _IMP_core.Typed_clear_caches(self)
13593 def set_name(self, a0):
13594 r"""set_name(Typed self, std::string a0)"""
13595 return _IMP_core.Typed_set_name(self, a0)
13598 r"""set_check_level(Typed self, IMP::CheckLevel a0)"""
13599 return _IMP_core.Typed_set_check_level(self, a0)
13601 def add_to_derivative(self, a0, a1, a2):
13602 r"""add_to_derivative(Typed self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
13603 return _IMP_core.Typed_add_to_derivative(self, a0, a1, a2)
13605 def set_is_optimized(self, a0, a1):
13606 r"""set_is_optimized(Typed self, FloatKey a0, bool a1)"""
13607 return _IMP_core.Typed_set_is_optimized(self, a0, a1)
13609 def get_is_optimized(self, a0):
13610 r"""get_is_optimized(Typed self, FloatKey a0) -> bool"""
13611 return _IMP_core.Typed_get_is_optimized(self, a0)
13614 r"""get_check_level(Typed self) -> IMP::CheckLevel"""
13615 return _IMP_core.Typed_get_check_level(self)
13617 def __eq__(self, *args):
13619 __eq__(Typed self, Typed o) -> bool
13620 __eq__(Typed self, Particle d) -> bool
13622 return _IMP_core.Typed___eq__(self, *args)
13624 def __ne__(self, *args):
13626 __ne__(Typed self, Typed o) -> bool
13627 __ne__(Typed self, Particle d) -> bool
13629 return _IMP_core.Typed___ne__(self, *args)
13631 def __le__(self, *args):
13633 __le__(Typed self, Typed o) -> bool
13634 __le__(Typed self, Particle d) -> bool
13636 return _IMP_core.Typed___le__(self, *args)
13638 def __lt__(self, *args):
13640 __lt__(Typed self, Typed o) -> bool
13641 __lt__(Typed self, Particle d) -> bool
13643 return _IMP_core.Typed___lt__(self, *args)
13645 def __ge__(self, *args):
13647 __ge__(Typed self, Typed o) -> bool
13648 __ge__(Typed self, Particle d) -> bool
13650 return _IMP_core.Typed___ge__(self, *args)
13652 def __gt__(self, *args):
13654 __gt__(Typed self, Typed o) -> bool
13655 __gt__(Typed self, Particle d) -> bool
13657 return _IMP_core.Typed___gt__(self, *args)
13659 def __hash__(self):
13660 r"""__hash__(Typed self) -> std::size_t"""
13661 return _IMP_core.Typed___hash__(self)
13664 r"""__str__(Typed self) -> std::string"""
13665 return _IMP_core.Typed___str__(self)
13667 def __repr__(self):
13668 r"""__repr__(Typed self) -> std::string"""
13669 return _IMP_core.Typed___repr__(self)
13671 def _get_as_binary(self):
13672 r"""_get_as_binary(Typed self) -> PyObject *"""
13673 return _IMP_core.Typed__get_as_binary(self)
13675 def _set_from_binary(self, p):
13676 r"""_set_from_binary(Typed self, PyObject * p)"""
13677 return _IMP_core.Typed__set_from_binary(self, p)
13679 def __getstate__(self):
13680 p = self._get_as_binary()
13681 if len(self.__dict__) > 1:
13682 d = self.__dict__.copy()
13687 def __setstate__(self, p):
13688 if not hasattr(self,
'this'):
13690 if isinstance(p, tuple):
13692 self.__dict__.update(d)
13693 return self._set_from_binary(p)
13695 __swig_destroy__ = _IMP_core.delete_Typed
13698 _IMP_core.Typed_swigregister(Typed)
13700 def __lshift__(*args):
13702 __lshift__(_ostream out, XYZ n) -> _ostream
13703 __lshift__(_ostream out, XYZR n) -> _ostream
13704 __lshift__(_ostream out, Direction n) -> _ostream
13705 __lshift__(_ostream out, DirectionAngle n) -> _ostream
13706 __lshift__(_ostream out, Surface n) -> _ostream
13707 __lshift__(_ostream out, Centroid n) -> _ostream
13708 __lshift__(_ostream out, Cover n) -> _ostream
13709 __lshift__(_ostream out, Reference n) -> _ostream
13710 __lshift__(_ostream out, RigidMember n) -> _ostream
13711 __lshift__(_ostream out, RigidBody n) -> _ostream
13712 __lshift__(_ostream out, Gaussian n) -> _ostream
13713 __lshift__(_ostream out, Typed n) -> _ostream
13715 return _IMP_core.__lshift__(*args)
13717 r"""Proxy of C++ IMP::core::WriteRestraintScoresOptimizerState class."""
13719 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13721 def __init__(self, rs, out):
13722 r"""__init__(WriteRestraintScoresOptimizerState self, IMP::Restraints const & rs, TextOutput out) -> WriteRestraintScoresOptimizerState"""
13723 _IMP_core.WriteRestraintScoresOptimizerState_swiginit(self, _IMP_core.new_WriteRestraintScoresOptimizerState(rs, out))
13725 def get_version_info(self):
13726 r"""get_version_info(WriteRestraintScoresOptimizerState self) -> VersionInfo"""
13727 return _IMP_core.WriteRestraintScoresOptimizerState_get_version_info(self)
13728 __swig_destroy__ = _IMP_core.delete_WriteRestraintScoresOptimizerState
13731 r"""__str__(WriteRestraintScoresOptimizerState self) -> std::string"""
13732 return _IMP_core.WriteRestraintScoresOptimizerState___str__(self)
13734 def __repr__(self):
13735 r"""__repr__(WriteRestraintScoresOptimizerState self) -> std::string"""
13736 return _IMP_core.WriteRestraintScoresOptimizerState___repr__(self)
13740 return _object_cast_to_WriteRestraintScoresOptimizerState(o)
13744 _IMP_core.WriteRestraintScoresOptimizerState_swigregister(WriteRestraintScoresOptimizerState)
13747 r"""assign_blame(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, FloatKey attribute)"""
13748 return _IMP_core.assign_blame(rs, ps, attribute)
13751 r"""create_blame_geometries(IMP::RestraintsTemp const & rs, IMP::ParticlesTemp const & ps, double max=NO_MAX, std::string name=std::string()) -> IMP::display::Geometries"""
13752 return _IMP_core.create_blame_geometries(*args)
13754 r"""Proxy of C++ IMP::core::MultipleBinormalRestraint class."""
13756 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13758 def __init__(self, m, q1, q2):
13759 r"""__init__(MultipleBinormalRestraint self, Model m, IMP::ParticleIndexQuad const & q1, IMP::ParticleIndexQuad const & q2) -> MultipleBinormalRestraint"""
13760 _IMP_core.MultipleBinormalRestraint_swiginit(self, _IMP_core.new_MultipleBinormalRestraint(m, q1, q2))
13762 def add_term(self, term):
13763 r"""add_term(MultipleBinormalRestraint self, BinormalTerm term)"""
13764 return _IMP_core.MultipleBinormalRestraint_add_term(self, term)
13766 def do_get_inputs(self):
13767 r"""do_get_inputs(MultipleBinormalRestraint self) -> IMP::ModelObjectsTemp"""
13768 return _IMP_core.MultipleBinormalRestraint_do_get_inputs(self)
13770 def get_version_info(self):
13771 r"""get_version_info(MultipleBinormalRestraint self) -> VersionInfo"""
13772 return _IMP_core.MultipleBinormalRestraint_get_version_info(self)
13773 __swig_destroy__ = _IMP_core.delete_MultipleBinormalRestraint
13776 r"""__str__(MultipleBinormalRestraint self) -> std::string"""
13777 return _IMP_core.MultipleBinormalRestraint___str__(self)
13779 def __repr__(self):
13780 r"""__repr__(MultipleBinormalRestraint self) -> std::string"""
13781 return _IMP_core.MultipleBinormalRestraint___repr__(self)
13785 return _object_cast_to_MultipleBinormalRestraint(o)
13789 _IMP_core.MultipleBinormalRestraint_swigregister(MultipleBinormalRestraint)
13790 class BinormalTerm(object):
13791 r"""Proxy of C++ IMP::core::BinormalTerm class."""
13793 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13795 def __init__(self):
13796 r"""__init__(BinormalTerm self) -> BinormalTerm"""
13797 _IMP_core.BinormalTerm_swiginit(self, _IMP_core.new_BinormalTerm())
13799 def set_correlation(self, correlation):
13800 r"""set_correlation(BinormalTerm self, double correlation)"""
13801 return _IMP_core.BinormalTerm_set_correlation(self, correlation)
13803 def set_weight(self, weight):
13804 r"""set_weight(BinormalTerm self, double weight)"""
13805 return _IMP_core.BinormalTerm_set_weight(self, weight)
13807 def set_means(self, means):
13808 r"""set_means(BinormalTerm self, IMP::FloatPair means)"""
13809 return _IMP_core.BinormalTerm_set_means(self, means)
13811 def set_standard_deviations(self, stdevs):
13812 r"""set_standard_deviations(BinormalTerm self, IMP::FloatPair stdevs)"""
13813 return _IMP_core.BinormalTerm_set_standard_deviations(self, stdevs)
13815 def show(self, *args):
13816 r"""show(BinormalTerm self, _ostream out=std::cout)"""
13817 return _IMP_core.BinormalTerm_show(self, *args)
13820 r"""__str__(BinormalTerm self) -> std::string"""
13821 return _IMP_core.BinormalTerm___str__(self)
13823 def __repr__(self):
13824 r"""__repr__(BinormalTerm self) -> std::string"""
13825 return _IMP_core.BinormalTerm___repr__(self)
13827 def _get_as_binary(self):
13828 r"""_get_as_binary(BinormalTerm self) -> PyObject *"""
13829 return _IMP_core.BinormalTerm__get_as_binary(self)
13831 def _set_from_binary(self, p):
13832 r"""_set_from_binary(BinormalTerm self, PyObject * p)"""
13833 return _IMP_core.BinormalTerm__set_from_binary(self, p)
13835 def __getstate__(self):
13836 p = self._get_as_binary()
13837 if len(self.__dict__) > 1:
13838 d = self.__dict__.copy()
13843 def __setstate__(self, p):
13844 if not hasattr(self,
'this'):
13846 if isinstance(p, tuple):
13848 self.__dict__.update(d)
13849 return self._set_from_binary(p)
13851 __swig_destroy__ = _IMP_core.delete_BinormalTerm
13854 _IMP_core.BinormalTerm_swigregister(BinormalTerm)
13856 r"""Proxy of C++ IMP::core::Provenance class."""
13858 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
13860 def get_previous(self):
13861 r"""get_previous(Provenance self) -> Provenance"""
13862 return _IMP_core.Provenance_get_previous(self)
13864 def set_previous(self, p):
13865 r"""set_previous(Provenance self, Provenance p)"""
13866 return _IMP_core.Provenance_set_previous(self, p)
13868 def __init__(self, *args):
13870 __init__(Provenance self) -> Provenance
13871 __init__(Provenance self, Model m, ParticleIndex id) -> Provenance
13872 __init__(Provenance self, _ParticleAdaptor d) -> Provenance
13874 _IMP_core.Provenance_swiginit(self, _IMP_core.new_Provenance(*args))
13877 def get_is_setup(*args):
13879 get_is_setup(Model m, ParticleIndex pi) -> bool
13880 get_is_setup(_ParticleAdaptor p) -> bool
13882 return _IMP_core.Provenance_get_is_setup(*args)
13884 def show(self, *args):
13885 r"""show(Provenance self, _ostream out=std::cout)"""
13886 return _IMP_core.Provenance_show(self, *args)
13889 def setup_particle(*args):
13891 setup_particle(Model m, ParticleIndex pi) -> Provenance
13892 setup_particle(_ParticleAdaptor pa) -> Provenance
13894 return _IMP_core.Provenance_setup_particle(*args)
13896 def add_attribute(self, *args):
13898 add_attribute(Provenance self, FloatKey k, IMP::Float v, bool opt)
13899 add_attribute(Provenance self, FloatKey a0, IMP::Float a1)
13900 add_attribute(Provenance self, IntKey a0, IMP::Int a1)
13901 add_attribute(Provenance self, FloatsKey a0, IMP::Floats a1)
13902 add_attribute(Provenance self, IntsKey a0, IMP::Ints a1)
13903 add_attribute(Provenance self, StringKey a0, IMP::String a1)
13904 add_attribute(Provenance self, ParticleIndexKey a0, Particle a1)
13905 add_attribute(Provenance self, ObjectKey a0, Object a1)
13906 add_attribute(Provenance self, SparseFloatKey a0, IMP::Float a1)
13907 add_attribute(Provenance self, SparseIntKey a0, IMP::Int a1)
13908 add_attribute(Provenance self, SparseStringKey a0, IMP::String a1)
13909 add_attribute(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
13911 return _IMP_core.Provenance_add_attribute(self, *args)
13913 def get_value(self, *args):
13915 get_value(Provenance self, FloatKey a0) -> IMP::Float
13916 get_value(Provenance self, IntKey a0) -> IMP::Int
13917 get_value(Provenance self, FloatsKey a0) -> IMP::Floats
13918 get_value(Provenance self, IntsKey a0) -> IMP::Ints
13919 get_value(Provenance self, StringKey a0) -> IMP::String
13920 get_value(Provenance self, ParticleIndexKey a0) -> Particle
13921 get_value(Provenance self, ObjectKey a0) -> Object
13922 get_value(Provenance self, SparseFloatKey a0) -> IMP::Float
13923 get_value(Provenance self, SparseIntKey a0) -> IMP::Int
13924 get_value(Provenance self, SparseStringKey a0) -> IMP::String
13925 get_value(Provenance self, SparseParticleIndexKey a0) -> ParticleIndex
13927 return _IMP_core.Provenance_get_value(self, *args)
13929 def set_value(self, *args):
13931 set_value(Provenance self, FloatKey a0, IMP::Float a1)
13932 set_value(Provenance self, IntKey a0, IMP::Int a1)
13933 set_value(Provenance self, FloatsKey a0, IMP::Floats a1)
13934 set_value(Provenance self, IntsKey a0, IMP::Ints a1)
13935 set_value(Provenance self, StringKey a0, IMP::String a1)
13936 set_value(Provenance self, ParticleIndexKey a0, Particle a1)
13937 set_value(Provenance self, ObjectKey a0, Object a1)
13938 set_value(Provenance self, SparseFloatKey a0, IMP::Float a1)
13939 set_value(Provenance self, SparseIntKey a0, IMP::Int a1)
13940 set_value(Provenance self, SparseStringKey a0, IMP::String a1)
13941 set_value(Provenance self, SparseParticleIndexKey a0, ParticleIndex a1)
13943 return _IMP_core.Provenance_set_value(self, *args)
13945 def remove_attribute(self, *args):
13947 remove_attribute(Provenance self, FloatKey a0)
13948 remove_attribute(Provenance self, IntKey a0)
13949 remove_attribute(Provenance self, FloatsKey a0)
13950 remove_attribute(Provenance self, IntsKey a0)
13951 remove_attribute(Provenance self, StringKey a0)
13952 remove_attribute(Provenance self, ParticleIndexKey a0)
13953 remove_attribute(Provenance self, ObjectKey a0)
13954 remove_attribute(Provenance self, SparseFloatKey a0)
13955 remove_attribute(Provenance self, SparseIntKey a0)
13956 remove_attribute(Provenance self, SparseStringKey a0)
13957 remove_attribute(Provenance self, SparseParticleIndexKey a0)
13959 return _IMP_core.Provenance_remove_attribute(self, *args)
13961 def has_attribute(self, *args):
13963 has_attribute(Provenance self, FloatKey a0) -> bool
13964 has_attribute(Provenance self, IntKey a0) -> bool
13965 has_attribute(Provenance self, FloatsKey a0) -> bool
13966 has_attribute(Provenance self, IntsKey a0) -> bool
13967 has_attribute(Provenance self, StringKey a0) -> bool
13968 has_attribute(Provenance self, ParticleIndexKey a0) -> bool
13969 has_attribute(Provenance self, ObjectKey a0) -> bool
13970 has_attribute(Provenance self, SparseFloatKey a0) -> bool
13971 has_attribute(Provenance self, SparseIntKey a0) -> bool
13972 has_attribute(Provenance self, SparseStringKey a0) -> bool
13973 has_attribute(Provenance self, SparseParticleIndexKey a0) -> bool
13975 return _IMP_core.Provenance_has_attribute(self, *args)
13977 def get_derivative(self, a0):
13978 r"""get_derivative(Provenance self, FloatKey a0) -> double"""
13979 return _IMP_core.Provenance_get_derivative(self, a0)
13981 def get_name(self):
13982 r"""get_name(Provenance self) -> std::string"""
13983 return _IMP_core.Provenance_get_name(self)
13985 def clear_caches(self):
13986 r"""clear_caches(Provenance self)"""
13987 return _IMP_core.Provenance_clear_caches(self)
13989 def set_name(self, a0):
13990 r"""set_name(Provenance self, std::string a0)"""
13991 return _IMP_core.Provenance_set_name(self, a0)
13994 r"""set_check_level(Provenance self, IMP::CheckLevel a0)"""
13995 return _IMP_core.Provenance_set_check_level(self, a0)
13997 def add_to_derivative(self, a0, a1, a2):
13998 r"""add_to_derivative(Provenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
13999 return _IMP_core.Provenance_add_to_derivative(self, a0, a1, a2)
14001 def set_is_optimized(self, a0, a1):
14002 r"""set_is_optimized(Provenance self, FloatKey a0, bool a1)"""
14003 return _IMP_core.Provenance_set_is_optimized(self, a0, a1)
14005 def get_is_optimized(self, a0):
14006 r"""get_is_optimized(Provenance self, FloatKey a0) -> bool"""
14007 return _IMP_core.Provenance_get_is_optimized(self, a0)
14010 r"""get_check_level(Provenance self) -> IMP::CheckLevel"""
14011 return _IMP_core.Provenance_get_check_level(self)
14013 def __eq__(self, *args):
14015 __eq__(Provenance self, Provenance o) -> bool
14016 __eq__(Provenance self, Particle d) -> bool
14018 return _IMP_core.Provenance___eq__(self, *args)
14020 def __ne__(self, *args):
14022 __ne__(Provenance self, Provenance o) -> bool
14023 __ne__(Provenance self, Particle d) -> bool
14025 return _IMP_core.Provenance___ne__(self, *args)
14027 def __le__(self, *args):
14029 __le__(Provenance self, Provenance o) -> bool
14030 __le__(Provenance self, Particle d) -> bool
14032 return _IMP_core.Provenance___le__(self, *args)
14034 def __lt__(self, *args):
14036 __lt__(Provenance self, Provenance o) -> bool
14037 __lt__(Provenance self, Particle d) -> bool
14039 return _IMP_core.Provenance___lt__(self, *args)
14041 def __ge__(self, *args):
14043 __ge__(Provenance self, Provenance o) -> bool
14044 __ge__(Provenance self, Particle d) -> bool
14046 return _IMP_core.Provenance___ge__(self, *args)
14048 def __gt__(self, *args):
14050 __gt__(Provenance self, Provenance o) -> bool
14051 __gt__(Provenance self, Particle d) -> bool
14053 return _IMP_core.Provenance___gt__(self, *args)
14055 def __hash__(self):
14056 r"""__hash__(Provenance self) -> std::size_t"""
14057 return _IMP_core.Provenance___hash__(self)
14060 r"""__str__(Provenance self) -> std::string"""
14061 return _IMP_core.Provenance___str__(self)
14063 def __repr__(self):
14064 r"""__repr__(Provenance self) -> std::string"""
14065 return _IMP_core.Provenance___repr__(self)
14067 def _get_as_binary(self):
14068 r"""_get_as_binary(Provenance self) -> PyObject *"""
14069 return _IMP_core.Provenance__get_as_binary(self)
14071 def _set_from_binary(self, p):
14072 r"""_set_from_binary(Provenance self, PyObject * p)"""
14073 return _IMP_core.Provenance__set_from_binary(self, p)
14075 def __getstate__(self):
14076 p = self._get_as_binary()
14077 if len(self.__dict__) > 1:
14078 d = self.__dict__.copy()
14083 def __setstate__(self, p):
14084 if not hasattr(self,
'this'):
14086 if isinstance(p, tuple):
14088 self.__dict__.update(d)
14089 return self._set_from_binary(p)
14091 __swig_destroy__ = _IMP_core.delete_Provenance
14094 _IMP_core.Provenance_swigregister(Provenance)
14095 class StructureProvenance(Provenance):
14096 r"""Proxy of C++ IMP::core::StructureProvenance class."""
14098 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14100 def set_filename(self, filename):
14101 r"""set_filename(StructureProvenance self, std::string filename)"""
14102 return _IMP_core.StructureProvenance_set_filename(self, filename)
14104 def get_filename(self):
14105 r"""get_filename(StructureProvenance self) -> std::string"""
14106 return _IMP_core.StructureProvenance_get_filename(self)
14108 def set_chain_id(self, chain_id):
14109 r"""set_chain_id(StructureProvenance self, std::string chain_id)"""
14110 return _IMP_core.StructureProvenance_set_chain_id(self, chain_id)
14113 r"""get_chain_id(StructureProvenance self) -> std::string"""
14114 return _IMP_core.StructureProvenance_get_chain_id(self)
14116 def set_residue_offset(self, residue_offset):
14117 r"""set_residue_offset(StructureProvenance self, int residue_offset)"""
14118 return _IMP_core.StructureProvenance_set_residue_offset(self, residue_offset)
14120 def get_residue_offset(self):
14121 r"""get_residue_offset(StructureProvenance self) -> int"""
14122 return _IMP_core.StructureProvenance_get_residue_offset(self)
14124 def __init__(self, *args):
14126 __init__(StructureProvenance self) -> StructureProvenance
14127 __init__(StructureProvenance self, Model m, ParticleIndex id) -> StructureProvenance
14128 __init__(StructureProvenance self, _ParticleAdaptor d) -> StructureProvenance
14130 _IMP_core.StructureProvenance_swiginit(self, _IMP_core.new_StructureProvenance(*args))
14133 def get_is_setup(*args):
14135 get_is_setup(Model m, ParticleIndex pi) -> bool
14136 get_is_setup(_ParticleAdaptor p) -> bool
14138 return _IMP_core.StructureProvenance_get_is_setup(*args)
14140 def show(self, *args):
14141 r"""show(StructureProvenance self, _ostream out=std::cout)"""
14142 return _IMP_core.StructureProvenance_show(self, *args)
14145 def setup_particle(*args):
14147 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14148 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id, int residue_offset) -> StructureProvenance
14149 setup_particle(Model m, ParticleIndex pi, std::string filename, std::string chain_id) -> StructureProvenance
14150 setup_particle(_ParticleAdaptor pa, std::string filename, std::string chain_id) -> StructureProvenance
14151 setup_particle(Model m, ParticleIndex pi, StructureProvenance o) -> StructureProvenance
14152 setup_particle(_ParticleAdaptor pa, StructureProvenance o) -> StructureProvenance
14154 return _IMP_core.StructureProvenance_setup_particle(*args)
14156 def add_attribute(self, *args):
14158 add_attribute(StructureProvenance self, FloatKey k, IMP::Float v, bool opt)
14159 add_attribute(StructureProvenance self, FloatKey a0, IMP::Float a1)
14160 add_attribute(StructureProvenance self, IntKey a0, IMP::Int a1)
14161 add_attribute(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14162 add_attribute(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14163 add_attribute(StructureProvenance self, StringKey a0, IMP::String a1)
14164 add_attribute(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14165 add_attribute(StructureProvenance self, ObjectKey a0, Object a1)
14166 add_attribute(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14167 add_attribute(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14168 add_attribute(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14169 add_attribute(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14171 return _IMP_core.StructureProvenance_add_attribute(self, *args)
14173 def get_value(self, *args):
14175 get_value(StructureProvenance self, FloatKey a0) -> IMP::Float
14176 get_value(StructureProvenance self, IntKey a0) -> IMP::Int
14177 get_value(StructureProvenance self, FloatsKey a0) -> IMP::Floats
14178 get_value(StructureProvenance self, IntsKey a0) -> IMP::Ints
14179 get_value(StructureProvenance self, StringKey a0) -> IMP::String
14180 get_value(StructureProvenance self, ParticleIndexKey a0) -> Particle
14181 get_value(StructureProvenance self, ObjectKey a0) -> Object
14182 get_value(StructureProvenance self, SparseFloatKey a0) -> IMP::Float
14183 get_value(StructureProvenance self, SparseIntKey a0) -> IMP::Int
14184 get_value(StructureProvenance self, SparseStringKey a0) -> IMP::String
14185 get_value(StructureProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14187 return _IMP_core.StructureProvenance_get_value(self, *args)
14189 def set_value(self, *args):
14191 set_value(StructureProvenance self, FloatKey a0, IMP::Float a1)
14192 set_value(StructureProvenance self, IntKey a0, IMP::Int a1)
14193 set_value(StructureProvenance self, FloatsKey a0, IMP::Floats a1)
14194 set_value(StructureProvenance self, IntsKey a0, IMP::Ints a1)
14195 set_value(StructureProvenance self, StringKey a0, IMP::String a1)
14196 set_value(StructureProvenance self, ParticleIndexKey a0, Particle a1)
14197 set_value(StructureProvenance self, ObjectKey a0, Object a1)
14198 set_value(StructureProvenance self, SparseFloatKey a0, IMP::Float a1)
14199 set_value(StructureProvenance self, SparseIntKey a0, IMP::Int a1)
14200 set_value(StructureProvenance self, SparseStringKey a0, IMP::String a1)
14201 set_value(StructureProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14203 return _IMP_core.StructureProvenance_set_value(self, *args)
14205 def remove_attribute(self, *args):
14207 remove_attribute(StructureProvenance self, FloatKey a0)
14208 remove_attribute(StructureProvenance self, IntKey a0)
14209 remove_attribute(StructureProvenance self, FloatsKey a0)
14210 remove_attribute(StructureProvenance self, IntsKey a0)
14211 remove_attribute(StructureProvenance self, StringKey a0)
14212 remove_attribute(StructureProvenance self, ParticleIndexKey a0)
14213 remove_attribute(StructureProvenance self, ObjectKey a0)
14214 remove_attribute(StructureProvenance self, SparseFloatKey a0)
14215 remove_attribute(StructureProvenance self, SparseIntKey a0)
14216 remove_attribute(StructureProvenance self, SparseStringKey a0)
14217 remove_attribute(StructureProvenance self, SparseParticleIndexKey a0)
14219 return _IMP_core.StructureProvenance_remove_attribute(self, *args)
14221 def has_attribute(self, *args):
14223 has_attribute(StructureProvenance self, FloatKey a0) -> bool
14224 has_attribute(StructureProvenance self, IntKey a0) -> bool
14225 has_attribute(StructureProvenance self, FloatsKey a0) -> bool
14226 has_attribute(StructureProvenance self, IntsKey a0) -> bool
14227 has_attribute(StructureProvenance self, StringKey a0) -> bool
14228 has_attribute(StructureProvenance self, ParticleIndexKey a0) -> bool
14229 has_attribute(StructureProvenance self, ObjectKey a0) -> bool
14230 has_attribute(StructureProvenance self, SparseFloatKey a0) -> bool
14231 has_attribute(StructureProvenance self, SparseIntKey a0) -> bool
14232 has_attribute(StructureProvenance self, SparseStringKey a0) -> bool
14233 has_attribute(StructureProvenance self, SparseParticleIndexKey a0) -> bool
14235 return _IMP_core.StructureProvenance_has_attribute(self, *args)
14237 def get_derivative(self, a0):
14238 r"""get_derivative(StructureProvenance self, FloatKey a0) -> double"""
14239 return _IMP_core.StructureProvenance_get_derivative(self, a0)
14241 def get_name(self):
14242 r"""get_name(StructureProvenance self) -> std::string"""
14243 return _IMP_core.StructureProvenance_get_name(self)
14245 def clear_caches(self):
14246 r"""clear_caches(StructureProvenance self)"""
14247 return _IMP_core.StructureProvenance_clear_caches(self)
14249 def set_name(self, a0):
14250 r"""set_name(StructureProvenance self, std::string a0)"""
14251 return _IMP_core.StructureProvenance_set_name(self, a0)
14254 r"""set_check_level(StructureProvenance self, IMP::CheckLevel a0)"""
14255 return _IMP_core.StructureProvenance_set_check_level(self, a0)
14257 def add_to_derivative(self, a0, a1, a2):
14258 r"""add_to_derivative(StructureProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14259 return _IMP_core.StructureProvenance_add_to_derivative(self, a0, a1, a2)
14261 def set_is_optimized(self, a0, a1):
14262 r"""set_is_optimized(StructureProvenance self, FloatKey a0, bool a1)"""
14263 return _IMP_core.StructureProvenance_set_is_optimized(self, a0, a1)
14265 def get_is_optimized(self, a0):
14266 r"""get_is_optimized(StructureProvenance self, FloatKey a0) -> bool"""
14267 return _IMP_core.StructureProvenance_get_is_optimized(self, a0)
14270 r"""get_check_level(StructureProvenance self) -> IMP::CheckLevel"""
14271 return _IMP_core.StructureProvenance_get_check_level(self)
14273 def __eq__(self, *args):
14275 __eq__(StructureProvenance self, StructureProvenance o) -> bool
14276 __eq__(StructureProvenance self, Particle d) -> bool
14278 return _IMP_core.StructureProvenance___eq__(self, *args)
14280 def __ne__(self, *args):
14282 __ne__(StructureProvenance self, StructureProvenance o) -> bool
14283 __ne__(StructureProvenance self, Particle d) -> bool
14285 return _IMP_core.StructureProvenance___ne__(self, *args)
14287 def __le__(self, *args):
14289 __le__(StructureProvenance self, StructureProvenance o) -> bool
14290 __le__(StructureProvenance self, Particle d) -> bool
14292 return _IMP_core.StructureProvenance___le__(self, *args)
14294 def __lt__(self, *args):
14296 __lt__(StructureProvenance self, StructureProvenance o) -> bool
14297 __lt__(StructureProvenance self, Particle d) -> bool
14299 return _IMP_core.StructureProvenance___lt__(self, *args)
14301 def __ge__(self, *args):
14303 __ge__(StructureProvenance self, StructureProvenance o) -> bool
14304 __ge__(StructureProvenance self, Particle d) -> bool
14306 return _IMP_core.StructureProvenance___ge__(self, *args)
14308 def __gt__(self, *args):
14310 __gt__(StructureProvenance self, StructureProvenance o) -> bool
14311 __gt__(StructureProvenance self, Particle d) -> bool
14313 return _IMP_core.StructureProvenance___gt__(self, *args)
14315 def __hash__(self):
14316 r"""__hash__(StructureProvenance self) -> std::size_t"""
14317 return _IMP_core.StructureProvenance___hash__(self)
14320 r"""__str__(StructureProvenance self) -> std::string"""
14321 return _IMP_core.StructureProvenance___str__(self)
14323 def __repr__(self):
14324 r"""__repr__(StructureProvenance self) -> std::string"""
14325 return _IMP_core.StructureProvenance___repr__(self)
14327 def _get_as_binary(self):
14328 r"""_get_as_binary(StructureProvenance self) -> PyObject *"""
14329 return _IMP_core.StructureProvenance__get_as_binary(self)
14331 def _set_from_binary(self, p):
14332 r"""_set_from_binary(StructureProvenance self, PyObject * p)"""
14333 return _IMP_core.StructureProvenance__set_from_binary(self, p)
14335 def __getstate__(self):
14336 p = self._get_as_binary()
14337 if len(self.__dict__) > 1:
14338 d = self.__dict__.copy()
14343 def __setstate__(self, p):
14344 if not hasattr(self,
'this'):
14346 if isinstance(p, tuple):
14348 self.__dict__.update(d)
14349 return self._set_from_binary(p)
14351 __swig_destroy__ = _IMP_core.delete_StructureProvenance
14354 _IMP_core.StructureProvenance_swigregister(StructureProvenance)
14355 class SampleProvenance(Provenance):
14356 r"""Proxy of C++ IMP::core::SampleProvenance class."""
14358 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14360 def set_method(self, method):
14361 r"""set_method(SampleProvenance self, std::string method)"""
14362 return _IMP_core.SampleProvenance_set_method(self, method)
14364 def get_method(self):
14365 r"""get_method(SampleProvenance self) -> std::string"""
14366 return _IMP_core.SampleProvenance_get_method(self)
14368 def set_number_of_frames(self, frames):
14369 r"""set_number_of_frames(SampleProvenance self, int frames)"""
14370 return _IMP_core.SampleProvenance_set_number_of_frames(self, frames)
14373 r"""get_number_of_frames(SampleProvenance self) -> int"""
14374 return _IMP_core.SampleProvenance_get_number_of_frames(self)
14376 def set_number_of_iterations(self, iterations):
14377 r"""set_number_of_iterations(SampleProvenance self, int iterations)"""
14378 return _IMP_core.SampleProvenance_set_number_of_iterations(self, iterations)
14380 def get_number_of_iterations(self):
14381 r"""get_number_of_iterations(SampleProvenance self) -> int"""
14382 return _IMP_core.SampleProvenance_get_number_of_iterations(self)
14384 def set_number_of_replicas(self, replicas):
14385 r"""set_number_of_replicas(SampleProvenance self, int replicas)"""
14386 return _IMP_core.SampleProvenance_set_number_of_replicas(self, replicas)
14388 def get_number_of_replicas(self):
14389 r"""get_number_of_replicas(SampleProvenance self) -> int"""
14390 return _IMP_core.SampleProvenance_get_number_of_replicas(self)
14392 def __init__(self, *args):
14394 __init__(SampleProvenance self) -> SampleProvenance
14395 __init__(SampleProvenance self, Model m, ParticleIndex id) -> SampleProvenance
14396 __init__(SampleProvenance self, _ParticleAdaptor d) -> SampleProvenance
14398 _IMP_core.SampleProvenance_swiginit(self, _IMP_core.new_SampleProvenance(*args))
14401 def get_is_setup(*args):
14403 get_is_setup(Model m, ParticleIndex pi) -> bool
14404 get_is_setup(_ParticleAdaptor p) -> bool
14406 return _IMP_core.SampleProvenance_get_is_setup(*args)
14408 def show(self, *args):
14409 r"""show(SampleProvenance self, _ostream out=std::cout)"""
14410 return _IMP_core.SampleProvenance_show(self, *args)
14413 def setup_particle(*args):
14415 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
14416 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations, int replicas) -> SampleProvenance
14417 setup_particle(Model m, ParticleIndex pi, std::string method, int frames, int iterations) -> SampleProvenance
14418 setup_particle(_ParticleAdaptor pa, std::string method, int frames, int iterations) -> SampleProvenance
14419 setup_particle(Model m, ParticleIndex pi, SampleProvenance o) -> SampleProvenance
14420 setup_particle(_ParticleAdaptor pa, SampleProvenance o) -> SampleProvenance
14422 return _IMP_core.SampleProvenance_setup_particle(*args)
14424 def add_attribute(self, *args):
14426 add_attribute(SampleProvenance self, FloatKey k, IMP::Float v, bool opt)
14427 add_attribute(SampleProvenance self, FloatKey a0, IMP::Float a1)
14428 add_attribute(SampleProvenance self, IntKey a0, IMP::Int a1)
14429 add_attribute(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
14430 add_attribute(SampleProvenance self, IntsKey a0, IMP::Ints a1)
14431 add_attribute(SampleProvenance self, StringKey a0, IMP::String a1)
14432 add_attribute(SampleProvenance self, ParticleIndexKey a0, Particle a1)
14433 add_attribute(SampleProvenance self, ObjectKey a0, Object a1)
14434 add_attribute(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
14435 add_attribute(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
14436 add_attribute(SampleProvenance self, SparseStringKey a0, IMP::String a1)
14437 add_attribute(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14439 return _IMP_core.SampleProvenance_add_attribute(self, *args)
14441 def get_value(self, *args):
14443 get_value(SampleProvenance self, FloatKey a0) -> IMP::Float
14444 get_value(SampleProvenance self, IntKey a0) -> IMP::Int
14445 get_value(SampleProvenance self, FloatsKey a0) -> IMP::Floats
14446 get_value(SampleProvenance self, IntsKey a0) -> IMP::Ints
14447 get_value(SampleProvenance self, StringKey a0) -> IMP::String
14448 get_value(SampleProvenance self, ParticleIndexKey a0) -> Particle
14449 get_value(SampleProvenance self, ObjectKey a0) -> Object
14450 get_value(SampleProvenance self, SparseFloatKey a0) -> IMP::Float
14451 get_value(SampleProvenance self, SparseIntKey a0) -> IMP::Int
14452 get_value(SampleProvenance self, SparseStringKey a0) -> IMP::String
14453 get_value(SampleProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14455 return _IMP_core.SampleProvenance_get_value(self, *args)
14457 def set_value(self, *args):
14459 set_value(SampleProvenance self, FloatKey a0, IMP::Float a1)
14460 set_value(SampleProvenance self, IntKey a0, IMP::Int a1)
14461 set_value(SampleProvenance self, FloatsKey a0, IMP::Floats a1)
14462 set_value(SampleProvenance self, IntsKey a0, IMP::Ints a1)
14463 set_value(SampleProvenance self, StringKey a0, IMP::String a1)
14464 set_value(SampleProvenance self, ParticleIndexKey a0, Particle a1)
14465 set_value(SampleProvenance self, ObjectKey a0, Object a1)
14466 set_value(SampleProvenance self, SparseFloatKey a0, IMP::Float a1)
14467 set_value(SampleProvenance self, SparseIntKey a0, IMP::Int a1)
14468 set_value(SampleProvenance self, SparseStringKey a0, IMP::String a1)
14469 set_value(SampleProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14471 return _IMP_core.SampleProvenance_set_value(self, *args)
14473 def remove_attribute(self, *args):
14475 remove_attribute(SampleProvenance self, FloatKey a0)
14476 remove_attribute(SampleProvenance self, IntKey a0)
14477 remove_attribute(SampleProvenance self, FloatsKey a0)
14478 remove_attribute(SampleProvenance self, IntsKey a0)
14479 remove_attribute(SampleProvenance self, StringKey a0)
14480 remove_attribute(SampleProvenance self, ParticleIndexKey a0)
14481 remove_attribute(SampleProvenance self, ObjectKey a0)
14482 remove_attribute(SampleProvenance self, SparseFloatKey a0)
14483 remove_attribute(SampleProvenance self, SparseIntKey a0)
14484 remove_attribute(SampleProvenance self, SparseStringKey a0)
14485 remove_attribute(SampleProvenance self, SparseParticleIndexKey a0)
14487 return _IMP_core.SampleProvenance_remove_attribute(self, *args)
14489 def has_attribute(self, *args):
14491 has_attribute(SampleProvenance self, FloatKey a0) -> bool
14492 has_attribute(SampleProvenance self, IntKey a0) -> bool
14493 has_attribute(SampleProvenance self, FloatsKey a0) -> bool
14494 has_attribute(SampleProvenance self, IntsKey a0) -> bool
14495 has_attribute(SampleProvenance self, StringKey a0) -> bool
14496 has_attribute(SampleProvenance self, ParticleIndexKey a0) -> bool
14497 has_attribute(SampleProvenance self, ObjectKey a0) -> bool
14498 has_attribute(SampleProvenance self, SparseFloatKey a0) -> bool
14499 has_attribute(SampleProvenance self, SparseIntKey a0) -> bool
14500 has_attribute(SampleProvenance self, SparseStringKey a0) -> bool
14501 has_attribute(SampleProvenance self, SparseParticleIndexKey a0) -> bool
14503 return _IMP_core.SampleProvenance_has_attribute(self, *args)
14505 def get_derivative(self, a0):
14506 r"""get_derivative(SampleProvenance self, FloatKey a0) -> double"""
14507 return _IMP_core.SampleProvenance_get_derivative(self, a0)
14509 def get_name(self):
14510 r"""get_name(SampleProvenance self) -> std::string"""
14511 return _IMP_core.SampleProvenance_get_name(self)
14513 def clear_caches(self):
14514 r"""clear_caches(SampleProvenance self)"""
14515 return _IMP_core.SampleProvenance_clear_caches(self)
14517 def set_name(self, a0):
14518 r"""set_name(SampleProvenance self, std::string a0)"""
14519 return _IMP_core.SampleProvenance_set_name(self, a0)
14522 r"""set_check_level(SampleProvenance self, IMP::CheckLevel a0)"""
14523 return _IMP_core.SampleProvenance_set_check_level(self, a0)
14525 def add_to_derivative(self, a0, a1, a2):
14526 r"""add_to_derivative(SampleProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14527 return _IMP_core.SampleProvenance_add_to_derivative(self, a0, a1, a2)
14529 def set_is_optimized(self, a0, a1):
14530 r"""set_is_optimized(SampleProvenance self, FloatKey a0, bool a1)"""
14531 return _IMP_core.SampleProvenance_set_is_optimized(self, a0, a1)
14533 def get_is_optimized(self, a0):
14534 r"""get_is_optimized(SampleProvenance self, FloatKey a0) -> bool"""
14535 return _IMP_core.SampleProvenance_get_is_optimized(self, a0)
14538 r"""get_check_level(SampleProvenance self) -> IMP::CheckLevel"""
14539 return _IMP_core.SampleProvenance_get_check_level(self)
14541 def __eq__(self, *args):
14543 __eq__(SampleProvenance self, SampleProvenance o) -> bool
14544 __eq__(SampleProvenance self, Particle d) -> bool
14546 return _IMP_core.SampleProvenance___eq__(self, *args)
14548 def __ne__(self, *args):
14550 __ne__(SampleProvenance self, SampleProvenance o) -> bool
14551 __ne__(SampleProvenance self, Particle d) -> bool
14553 return _IMP_core.SampleProvenance___ne__(self, *args)
14555 def __le__(self, *args):
14557 __le__(SampleProvenance self, SampleProvenance o) -> bool
14558 __le__(SampleProvenance self, Particle d) -> bool
14560 return _IMP_core.SampleProvenance___le__(self, *args)
14562 def __lt__(self, *args):
14564 __lt__(SampleProvenance self, SampleProvenance o) -> bool
14565 __lt__(SampleProvenance self, Particle d) -> bool
14567 return _IMP_core.SampleProvenance___lt__(self, *args)
14569 def __ge__(self, *args):
14571 __ge__(SampleProvenance self, SampleProvenance o) -> bool
14572 __ge__(SampleProvenance self, Particle d) -> bool
14574 return _IMP_core.SampleProvenance___ge__(self, *args)
14576 def __gt__(self, *args):
14578 __gt__(SampleProvenance self, SampleProvenance o) -> bool
14579 __gt__(SampleProvenance self, Particle d) -> bool
14581 return _IMP_core.SampleProvenance___gt__(self, *args)
14583 def __hash__(self):
14584 r"""__hash__(SampleProvenance self) -> std::size_t"""
14585 return _IMP_core.SampleProvenance___hash__(self)
14588 r"""__str__(SampleProvenance self) -> std::string"""
14589 return _IMP_core.SampleProvenance___str__(self)
14591 def __repr__(self):
14592 r"""__repr__(SampleProvenance self) -> std::string"""
14593 return _IMP_core.SampleProvenance___repr__(self)
14595 def _get_as_binary(self):
14596 r"""_get_as_binary(SampleProvenance self) -> PyObject *"""
14597 return _IMP_core.SampleProvenance__get_as_binary(self)
14599 def _set_from_binary(self, p):
14600 r"""_set_from_binary(SampleProvenance self, PyObject * p)"""
14601 return _IMP_core.SampleProvenance__set_from_binary(self, p)
14603 def __getstate__(self):
14604 p = self._get_as_binary()
14605 if len(self.__dict__) > 1:
14606 d = self.__dict__.copy()
14611 def __setstate__(self, p):
14612 if not hasattr(self,
'this'):
14614 if isinstance(p, tuple):
14616 self.__dict__.update(d)
14617 return self._set_from_binary(p)
14619 __swig_destroy__ = _IMP_core.delete_SampleProvenance
14622 _IMP_core.SampleProvenance_swigregister(SampleProvenance)
14623 class CombineProvenance(Provenance):
14624 r"""Proxy of C++ IMP::core::CombineProvenance class."""
14626 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14628 def set_number_of_frames(self, frames):
14629 r"""set_number_of_frames(CombineProvenance self, int frames)"""
14630 return _IMP_core.CombineProvenance_set_number_of_frames(self, frames)
14633 r"""get_number_of_frames(CombineProvenance self) -> int"""
14634 return _IMP_core.CombineProvenance_get_number_of_frames(self)
14636 def set_number_of_runs(self, runs):
14637 r"""set_number_of_runs(CombineProvenance self, int runs)"""
14638 return _IMP_core.CombineProvenance_set_number_of_runs(self, runs)
14640 def get_number_of_runs(self):
14641 r"""get_number_of_runs(CombineProvenance self) -> int"""
14642 return _IMP_core.CombineProvenance_get_number_of_runs(self)
14644 def __init__(self, *args):
14646 __init__(CombineProvenance self) -> CombineProvenance
14647 __init__(CombineProvenance self, Model m, ParticleIndex id) -> CombineProvenance
14648 __init__(CombineProvenance self, _ParticleAdaptor d) -> CombineProvenance
14650 _IMP_core.CombineProvenance_swiginit(self, _IMP_core.new_CombineProvenance(*args))
14653 def get_is_setup(*args):
14655 get_is_setup(Model m, ParticleIndex pi) -> bool
14656 get_is_setup(_ParticleAdaptor p) -> bool
14658 return _IMP_core.CombineProvenance_get_is_setup(*args)
14660 def show(self, *args):
14661 r"""show(CombineProvenance self, _ostream out=std::cout)"""
14662 return _IMP_core.CombineProvenance_show(self, *args)
14665 def setup_particle(*args):
14667 setup_particle(Model m, ParticleIndex pi, int runs, int frames) -> CombineProvenance
14668 setup_particle(_ParticleAdaptor pa, int runs, int frames) -> CombineProvenance
14669 setup_particle(Model m, ParticleIndex pi, CombineProvenance o) -> CombineProvenance
14670 setup_particle(_ParticleAdaptor pa, CombineProvenance o) -> CombineProvenance
14672 return _IMP_core.CombineProvenance_setup_particle(*args)
14674 def add_attribute(self, *args):
14676 add_attribute(CombineProvenance self, FloatKey k, IMP::Float v, bool opt)
14677 add_attribute(CombineProvenance self, FloatKey a0, IMP::Float a1)
14678 add_attribute(CombineProvenance self, IntKey a0, IMP::Int a1)
14679 add_attribute(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
14680 add_attribute(CombineProvenance self, IntsKey a0, IMP::Ints a1)
14681 add_attribute(CombineProvenance self, StringKey a0, IMP::String a1)
14682 add_attribute(CombineProvenance self, ParticleIndexKey a0, Particle a1)
14683 add_attribute(CombineProvenance self, ObjectKey a0, Object a1)
14684 add_attribute(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
14685 add_attribute(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
14686 add_attribute(CombineProvenance self, SparseStringKey a0, IMP::String a1)
14687 add_attribute(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14689 return _IMP_core.CombineProvenance_add_attribute(self, *args)
14691 def get_value(self, *args):
14693 get_value(CombineProvenance self, FloatKey a0) -> IMP::Float
14694 get_value(CombineProvenance self, IntKey a0) -> IMP::Int
14695 get_value(CombineProvenance self, FloatsKey a0) -> IMP::Floats
14696 get_value(CombineProvenance self, IntsKey a0) -> IMP::Ints
14697 get_value(CombineProvenance self, StringKey a0) -> IMP::String
14698 get_value(CombineProvenance self, ParticleIndexKey a0) -> Particle
14699 get_value(CombineProvenance self, ObjectKey a0) -> Object
14700 get_value(CombineProvenance self, SparseFloatKey a0) -> IMP::Float
14701 get_value(CombineProvenance self, SparseIntKey a0) -> IMP::Int
14702 get_value(CombineProvenance self, SparseStringKey a0) -> IMP::String
14703 get_value(CombineProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14705 return _IMP_core.CombineProvenance_get_value(self, *args)
14707 def set_value(self, *args):
14709 set_value(CombineProvenance self, FloatKey a0, IMP::Float a1)
14710 set_value(CombineProvenance self, IntKey a0, IMP::Int a1)
14711 set_value(CombineProvenance self, FloatsKey a0, IMP::Floats a1)
14712 set_value(CombineProvenance self, IntsKey a0, IMP::Ints a1)
14713 set_value(CombineProvenance self, StringKey a0, IMP::String a1)
14714 set_value(CombineProvenance self, ParticleIndexKey a0, Particle a1)
14715 set_value(CombineProvenance self, ObjectKey a0, Object a1)
14716 set_value(CombineProvenance self, SparseFloatKey a0, IMP::Float a1)
14717 set_value(CombineProvenance self, SparseIntKey a0, IMP::Int a1)
14718 set_value(CombineProvenance self, SparseStringKey a0, IMP::String a1)
14719 set_value(CombineProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14721 return _IMP_core.CombineProvenance_set_value(self, *args)
14723 def remove_attribute(self, *args):
14725 remove_attribute(CombineProvenance self, FloatKey a0)
14726 remove_attribute(CombineProvenance self, IntKey a0)
14727 remove_attribute(CombineProvenance self, FloatsKey a0)
14728 remove_attribute(CombineProvenance self, IntsKey a0)
14729 remove_attribute(CombineProvenance self, StringKey a0)
14730 remove_attribute(CombineProvenance self, ParticleIndexKey a0)
14731 remove_attribute(CombineProvenance self, ObjectKey a0)
14732 remove_attribute(CombineProvenance self, SparseFloatKey a0)
14733 remove_attribute(CombineProvenance self, SparseIntKey a0)
14734 remove_attribute(CombineProvenance self, SparseStringKey a0)
14735 remove_attribute(CombineProvenance self, SparseParticleIndexKey a0)
14737 return _IMP_core.CombineProvenance_remove_attribute(self, *args)
14739 def has_attribute(self, *args):
14741 has_attribute(CombineProvenance self, FloatKey a0) -> bool
14742 has_attribute(CombineProvenance self, IntKey a0) -> bool
14743 has_attribute(CombineProvenance self, FloatsKey a0) -> bool
14744 has_attribute(CombineProvenance self, IntsKey a0) -> bool
14745 has_attribute(CombineProvenance self, StringKey a0) -> bool
14746 has_attribute(CombineProvenance self, ParticleIndexKey a0) -> bool
14747 has_attribute(CombineProvenance self, ObjectKey a0) -> bool
14748 has_attribute(CombineProvenance self, SparseFloatKey a0) -> bool
14749 has_attribute(CombineProvenance self, SparseIntKey a0) -> bool
14750 has_attribute(CombineProvenance self, SparseStringKey a0) -> bool
14751 has_attribute(CombineProvenance self, SparseParticleIndexKey a0) -> bool
14753 return _IMP_core.CombineProvenance_has_attribute(self, *args)
14755 def get_derivative(self, a0):
14756 r"""get_derivative(CombineProvenance self, FloatKey a0) -> double"""
14757 return _IMP_core.CombineProvenance_get_derivative(self, a0)
14759 def get_name(self):
14760 r"""get_name(CombineProvenance self) -> std::string"""
14761 return _IMP_core.CombineProvenance_get_name(self)
14763 def clear_caches(self):
14764 r"""clear_caches(CombineProvenance self)"""
14765 return _IMP_core.CombineProvenance_clear_caches(self)
14767 def set_name(self, a0):
14768 r"""set_name(CombineProvenance self, std::string a0)"""
14769 return _IMP_core.CombineProvenance_set_name(self, a0)
14772 r"""set_check_level(CombineProvenance self, IMP::CheckLevel a0)"""
14773 return _IMP_core.CombineProvenance_set_check_level(self, a0)
14775 def add_to_derivative(self, a0, a1, a2):
14776 r"""add_to_derivative(CombineProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14777 return _IMP_core.CombineProvenance_add_to_derivative(self, a0, a1, a2)
14779 def set_is_optimized(self, a0, a1):
14780 r"""set_is_optimized(CombineProvenance self, FloatKey a0, bool a1)"""
14781 return _IMP_core.CombineProvenance_set_is_optimized(self, a0, a1)
14783 def get_is_optimized(self, a0):
14784 r"""get_is_optimized(CombineProvenance self, FloatKey a0) -> bool"""
14785 return _IMP_core.CombineProvenance_get_is_optimized(self, a0)
14788 r"""get_check_level(CombineProvenance self) -> IMP::CheckLevel"""
14789 return _IMP_core.CombineProvenance_get_check_level(self)
14791 def __eq__(self, *args):
14793 __eq__(CombineProvenance self, CombineProvenance o) -> bool
14794 __eq__(CombineProvenance self, Particle d) -> bool
14796 return _IMP_core.CombineProvenance___eq__(self, *args)
14798 def __ne__(self, *args):
14800 __ne__(CombineProvenance self, CombineProvenance o) -> bool
14801 __ne__(CombineProvenance self, Particle d) -> bool
14803 return _IMP_core.CombineProvenance___ne__(self, *args)
14805 def __le__(self, *args):
14807 __le__(CombineProvenance self, CombineProvenance o) -> bool
14808 __le__(CombineProvenance self, Particle d) -> bool
14810 return _IMP_core.CombineProvenance___le__(self, *args)
14812 def __lt__(self, *args):
14814 __lt__(CombineProvenance self, CombineProvenance o) -> bool
14815 __lt__(CombineProvenance self, Particle d) -> bool
14817 return _IMP_core.CombineProvenance___lt__(self, *args)
14819 def __ge__(self, *args):
14821 __ge__(CombineProvenance self, CombineProvenance o) -> bool
14822 __ge__(CombineProvenance self, Particle d) -> bool
14824 return _IMP_core.CombineProvenance___ge__(self, *args)
14826 def __gt__(self, *args):
14828 __gt__(CombineProvenance self, CombineProvenance o) -> bool
14829 __gt__(CombineProvenance self, Particle d) -> bool
14831 return _IMP_core.CombineProvenance___gt__(self, *args)
14833 def __hash__(self):
14834 r"""__hash__(CombineProvenance self) -> std::size_t"""
14835 return _IMP_core.CombineProvenance___hash__(self)
14838 r"""__str__(CombineProvenance self) -> std::string"""
14839 return _IMP_core.CombineProvenance___str__(self)
14841 def __repr__(self):
14842 r"""__repr__(CombineProvenance self) -> std::string"""
14843 return _IMP_core.CombineProvenance___repr__(self)
14845 def _get_as_binary(self):
14846 r"""_get_as_binary(CombineProvenance self) -> PyObject *"""
14847 return _IMP_core.CombineProvenance__get_as_binary(self)
14849 def _set_from_binary(self, p):
14850 r"""_set_from_binary(CombineProvenance self, PyObject * p)"""
14851 return _IMP_core.CombineProvenance__set_from_binary(self, p)
14853 def __getstate__(self):
14854 p = self._get_as_binary()
14855 if len(self.__dict__) > 1:
14856 d = self.__dict__.copy()
14861 def __setstate__(self, p):
14862 if not hasattr(self,
'this'):
14864 if isinstance(p, tuple):
14866 self.__dict__.update(d)
14867 return self._set_from_binary(p)
14869 __swig_destroy__ = _IMP_core.delete_CombineProvenance
14872 _IMP_core.CombineProvenance_swigregister(CombineProvenance)
14873 class FilterProvenance(Provenance):
14874 r"""Proxy of C++ IMP::core::FilterProvenance class."""
14876 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
14878 def set_method(self, method):
14879 r"""set_method(FilterProvenance self, std::string method)"""
14880 return _IMP_core.FilterProvenance_set_method(self, method)
14882 def get_method(self):
14883 r"""get_method(FilterProvenance self) -> std::string"""
14884 return _IMP_core.FilterProvenance_get_method(self)
14886 def set_number_of_frames(self, frames):
14887 r"""set_number_of_frames(FilterProvenance self, int frames)"""
14888 return _IMP_core.FilterProvenance_set_number_of_frames(self, frames)
14891 r"""get_number_of_frames(FilterProvenance self) -> int"""
14892 return _IMP_core.FilterProvenance_get_number_of_frames(self)
14894 def set_threshold(self, threshold):
14895 r"""set_threshold(FilterProvenance self, double threshold)"""
14896 return _IMP_core.FilterProvenance_set_threshold(self, threshold)
14898 def get_threshold(self):
14899 r"""get_threshold(FilterProvenance self) -> double"""
14900 return _IMP_core.FilterProvenance_get_threshold(self)
14902 def __init__(self, *args):
14904 __init__(FilterProvenance self) -> FilterProvenance
14905 __init__(FilterProvenance self, Model m, ParticleIndex id) -> FilterProvenance
14906 __init__(FilterProvenance self, _ParticleAdaptor d) -> FilterProvenance
14908 _IMP_core.FilterProvenance_swiginit(self, _IMP_core.new_FilterProvenance(*args))
14911 def get_is_setup(*args):
14913 get_is_setup(Model m, ParticleIndex pi) -> bool
14914 get_is_setup(_ParticleAdaptor p) -> bool
14916 return _IMP_core.FilterProvenance_get_is_setup(*args)
14918 def show(self, *args):
14919 r"""show(FilterProvenance self, _ostream out=std::cout)"""
14920 return _IMP_core.FilterProvenance_show(self, *args)
14923 def setup_particle(*args):
14925 setup_particle(Model m, ParticleIndex pi, std::string method, double threshold, int frames) -> FilterProvenance
14926 setup_particle(_ParticleAdaptor pa, std::string method, double threshold, int frames) -> FilterProvenance
14927 setup_particle(Model m, ParticleIndex pi, FilterProvenance o) -> FilterProvenance
14928 setup_particle(_ParticleAdaptor pa, FilterProvenance o) -> FilterProvenance
14930 return _IMP_core.FilterProvenance_setup_particle(*args)
14932 def add_attribute(self, *args):
14934 add_attribute(FilterProvenance self, FloatKey k, IMP::Float v, bool opt)
14935 add_attribute(FilterProvenance self, FloatKey a0, IMP::Float a1)
14936 add_attribute(FilterProvenance self, IntKey a0, IMP::Int a1)
14937 add_attribute(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
14938 add_attribute(FilterProvenance self, IntsKey a0, IMP::Ints a1)
14939 add_attribute(FilterProvenance self, StringKey a0, IMP::String a1)
14940 add_attribute(FilterProvenance self, ParticleIndexKey a0, Particle a1)
14941 add_attribute(FilterProvenance self, ObjectKey a0, Object a1)
14942 add_attribute(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
14943 add_attribute(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
14944 add_attribute(FilterProvenance self, SparseStringKey a0, IMP::String a1)
14945 add_attribute(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14947 return _IMP_core.FilterProvenance_add_attribute(self, *args)
14949 def get_value(self, *args):
14951 get_value(FilterProvenance self, FloatKey a0) -> IMP::Float
14952 get_value(FilterProvenance self, IntKey a0) -> IMP::Int
14953 get_value(FilterProvenance self, FloatsKey a0) -> IMP::Floats
14954 get_value(FilterProvenance self, IntsKey a0) -> IMP::Ints
14955 get_value(FilterProvenance self, StringKey a0) -> IMP::String
14956 get_value(FilterProvenance self, ParticleIndexKey a0) -> Particle
14957 get_value(FilterProvenance self, ObjectKey a0) -> Object
14958 get_value(FilterProvenance self, SparseFloatKey a0) -> IMP::Float
14959 get_value(FilterProvenance self, SparseIntKey a0) -> IMP::Int
14960 get_value(FilterProvenance self, SparseStringKey a0) -> IMP::String
14961 get_value(FilterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
14963 return _IMP_core.FilterProvenance_get_value(self, *args)
14965 def set_value(self, *args):
14967 set_value(FilterProvenance self, FloatKey a0, IMP::Float a1)
14968 set_value(FilterProvenance self, IntKey a0, IMP::Int a1)
14969 set_value(FilterProvenance self, FloatsKey a0, IMP::Floats a1)
14970 set_value(FilterProvenance self, IntsKey a0, IMP::Ints a1)
14971 set_value(FilterProvenance self, StringKey a0, IMP::String a1)
14972 set_value(FilterProvenance self, ParticleIndexKey a0, Particle a1)
14973 set_value(FilterProvenance self, ObjectKey a0, Object a1)
14974 set_value(FilterProvenance self, SparseFloatKey a0, IMP::Float a1)
14975 set_value(FilterProvenance self, SparseIntKey a0, IMP::Int a1)
14976 set_value(FilterProvenance self, SparseStringKey a0, IMP::String a1)
14977 set_value(FilterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
14979 return _IMP_core.FilterProvenance_set_value(self, *args)
14981 def remove_attribute(self, *args):
14983 remove_attribute(FilterProvenance self, FloatKey a0)
14984 remove_attribute(FilterProvenance self, IntKey a0)
14985 remove_attribute(FilterProvenance self, FloatsKey a0)
14986 remove_attribute(FilterProvenance self, IntsKey a0)
14987 remove_attribute(FilterProvenance self, StringKey a0)
14988 remove_attribute(FilterProvenance self, ParticleIndexKey a0)
14989 remove_attribute(FilterProvenance self, ObjectKey a0)
14990 remove_attribute(FilterProvenance self, SparseFloatKey a0)
14991 remove_attribute(FilterProvenance self, SparseIntKey a0)
14992 remove_attribute(FilterProvenance self, SparseStringKey a0)
14993 remove_attribute(FilterProvenance self, SparseParticleIndexKey a0)
14995 return _IMP_core.FilterProvenance_remove_attribute(self, *args)
14997 def has_attribute(self, *args):
14999 has_attribute(FilterProvenance self, FloatKey a0) -> bool
15000 has_attribute(FilterProvenance self, IntKey a0) -> bool
15001 has_attribute(FilterProvenance self, FloatsKey a0) -> bool
15002 has_attribute(FilterProvenance self, IntsKey a0) -> bool
15003 has_attribute(FilterProvenance self, StringKey a0) -> bool
15004 has_attribute(FilterProvenance self, ParticleIndexKey a0) -> bool
15005 has_attribute(FilterProvenance self, ObjectKey a0) -> bool
15006 has_attribute(FilterProvenance self, SparseFloatKey a0) -> bool
15007 has_attribute(FilterProvenance self, SparseIntKey a0) -> bool
15008 has_attribute(FilterProvenance self, SparseStringKey a0) -> bool
15009 has_attribute(FilterProvenance self, SparseParticleIndexKey a0) -> bool
15011 return _IMP_core.FilterProvenance_has_attribute(self, *args)
15013 def get_derivative(self, a0):
15014 r"""get_derivative(FilterProvenance self, FloatKey a0) -> double"""
15015 return _IMP_core.FilterProvenance_get_derivative(self, a0)
15017 def get_name(self):
15018 r"""get_name(FilterProvenance self) -> std::string"""
15019 return _IMP_core.FilterProvenance_get_name(self)
15021 def clear_caches(self):
15022 r"""clear_caches(FilterProvenance self)"""
15023 return _IMP_core.FilterProvenance_clear_caches(self)
15025 def set_name(self, a0):
15026 r"""set_name(FilterProvenance self, std::string a0)"""
15027 return _IMP_core.FilterProvenance_set_name(self, a0)
15030 r"""set_check_level(FilterProvenance self, IMP::CheckLevel a0)"""
15031 return _IMP_core.FilterProvenance_set_check_level(self, a0)
15033 def add_to_derivative(self, a0, a1, a2):
15034 r"""add_to_derivative(FilterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15035 return _IMP_core.FilterProvenance_add_to_derivative(self, a0, a1, a2)
15037 def set_is_optimized(self, a0, a1):
15038 r"""set_is_optimized(FilterProvenance self, FloatKey a0, bool a1)"""
15039 return _IMP_core.FilterProvenance_set_is_optimized(self, a0, a1)
15041 def get_is_optimized(self, a0):
15042 r"""get_is_optimized(FilterProvenance self, FloatKey a0) -> bool"""
15043 return _IMP_core.FilterProvenance_get_is_optimized(self, a0)
15046 r"""get_check_level(FilterProvenance self) -> IMP::CheckLevel"""
15047 return _IMP_core.FilterProvenance_get_check_level(self)
15049 def __eq__(self, *args):
15051 __eq__(FilterProvenance self, FilterProvenance o) -> bool
15052 __eq__(FilterProvenance self, Particle d) -> bool
15054 return _IMP_core.FilterProvenance___eq__(self, *args)
15056 def __ne__(self, *args):
15058 __ne__(FilterProvenance self, FilterProvenance o) -> bool
15059 __ne__(FilterProvenance self, Particle d) -> bool
15061 return _IMP_core.FilterProvenance___ne__(self, *args)
15063 def __le__(self, *args):
15065 __le__(FilterProvenance self, FilterProvenance o) -> bool
15066 __le__(FilterProvenance self, Particle d) -> bool
15068 return _IMP_core.FilterProvenance___le__(self, *args)
15070 def __lt__(self, *args):
15072 __lt__(FilterProvenance self, FilterProvenance o) -> bool
15073 __lt__(FilterProvenance self, Particle d) -> bool
15075 return _IMP_core.FilterProvenance___lt__(self, *args)
15077 def __ge__(self, *args):
15079 __ge__(FilterProvenance self, FilterProvenance o) -> bool
15080 __ge__(FilterProvenance self, Particle d) -> bool
15082 return _IMP_core.FilterProvenance___ge__(self, *args)
15084 def __gt__(self, *args):
15086 __gt__(FilterProvenance self, FilterProvenance o) -> bool
15087 __gt__(FilterProvenance self, Particle d) -> bool
15089 return _IMP_core.FilterProvenance___gt__(self, *args)
15091 def __hash__(self):
15092 r"""__hash__(FilterProvenance self) -> std::size_t"""
15093 return _IMP_core.FilterProvenance___hash__(self)
15096 r"""__str__(FilterProvenance self) -> std::string"""
15097 return _IMP_core.FilterProvenance___str__(self)
15099 def __repr__(self):
15100 r"""__repr__(FilterProvenance self) -> std::string"""
15101 return _IMP_core.FilterProvenance___repr__(self)
15103 def _get_as_binary(self):
15104 r"""_get_as_binary(FilterProvenance self) -> PyObject *"""
15105 return _IMP_core.FilterProvenance__get_as_binary(self)
15107 def _set_from_binary(self, p):
15108 r"""_set_from_binary(FilterProvenance self, PyObject * p)"""
15109 return _IMP_core.FilterProvenance__set_from_binary(self, p)
15111 def __getstate__(self):
15112 p = self._get_as_binary()
15113 if len(self.__dict__) > 1:
15114 d = self.__dict__.copy()
15119 def __setstate__(self, p):
15120 if not hasattr(self,
'this'):
15122 if isinstance(p, tuple):
15124 self.__dict__.update(d)
15125 return self._set_from_binary(p)
15127 __swig_destroy__ = _IMP_core.delete_FilterProvenance
15130 _IMP_core.FilterProvenance_swigregister(FilterProvenance)
15131 class ClusterProvenance(Provenance):
15132 r"""Proxy of C++ IMP::core::ClusterProvenance class."""
15134 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15136 def set_number_of_members(self, members):
15137 r"""set_number_of_members(ClusterProvenance self, int members)"""
15138 return _IMP_core.ClusterProvenance_set_number_of_members(self, members)
15140 def get_number_of_members(self):
15141 r"""get_number_of_members(ClusterProvenance self) -> int"""
15142 return _IMP_core.ClusterProvenance_get_number_of_members(self)
15144 def set_precision(self, precision):
15145 r"""set_precision(ClusterProvenance self, double precision)"""
15146 return _IMP_core.ClusterProvenance_set_precision(self, precision)
15148 def get_precision(self):
15149 r"""get_precision(ClusterProvenance self) -> double"""
15150 return _IMP_core.ClusterProvenance_get_precision(self)
15152 def set_density(self, density):
15153 r"""set_density(ClusterProvenance self, std::string density)"""
15154 return _IMP_core.ClusterProvenance_set_density(self, density)
15156 def get_density(self):
15157 r"""get_density(ClusterProvenance self) -> std::string"""
15158 return _IMP_core.ClusterProvenance_get_density(self)
15160 def __init__(self, *args):
15162 __init__(ClusterProvenance self) -> ClusterProvenance
15163 __init__(ClusterProvenance self, Model m, ParticleIndex id) -> ClusterProvenance
15164 __init__(ClusterProvenance self, _ParticleAdaptor d) -> ClusterProvenance
15166 _IMP_core.ClusterProvenance_swiginit(self, _IMP_core.new_ClusterProvenance(*args))
15169 def get_is_setup(*args):
15171 get_is_setup(Model m, ParticleIndex pi) -> bool
15172 get_is_setup(_ParticleAdaptor p) -> bool
15174 return _IMP_core.ClusterProvenance_get_is_setup(*args)
15176 def show(self, *args):
15177 r"""show(ClusterProvenance self, _ostream out=std::cout)"""
15178 return _IMP_core.ClusterProvenance_show(self, *args)
15181 def setup_particle(*args):
15183 setup_particle(Model m, ParticleIndex pi, int members) -> ClusterProvenance
15184 setup_particle(_ParticleAdaptor pa, int members) -> ClusterProvenance
15185 setup_particle(Model m, ParticleIndex pi, int members, double precision) -> ClusterProvenance
15186 setup_particle(_ParticleAdaptor pa, int members, double precision) -> ClusterProvenance
15187 setup_particle(Model m, ParticleIndex pi, int members, double precision, std::string density) -> ClusterProvenance
15188 setup_particle(_ParticleAdaptor pa, int members, double precision, std::string density) -> ClusterProvenance
15189 setup_particle(Model m, ParticleIndex pi, ClusterProvenance o) -> ClusterProvenance
15190 setup_particle(_ParticleAdaptor pa, ClusterProvenance o) -> ClusterProvenance
15192 return _IMP_core.ClusterProvenance_setup_particle(*args)
15194 def add_attribute(self, *args):
15196 add_attribute(ClusterProvenance self, FloatKey k, IMP::Float v, bool opt)
15197 add_attribute(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15198 add_attribute(ClusterProvenance self, IntKey a0, IMP::Int a1)
15199 add_attribute(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15200 add_attribute(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15201 add_attribute(ClusterProvenance self, StringKey a0, IMP::String a1)
15202 add_attribute(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15203 add_attribute(ClusterProvenance self, ObjectKey a0, Object a1)
15204 add_attribute(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15205 add_attribute(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15206 add_attribute(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15207 add_attribute(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15209 return _IMP_core.ClusterProvenance_add_attribute(self, *args)
15211 def get_value(self, *args):
15213 get_value(ClusterProvenance self, FloatKey a0) -> IMP::Float
15214 get_value(ClusterProvenance self, IntKey a0) -> IMP::Int
15215 get_value(ClusterProvenance self, FloatsKey a0) -> IMP::Floats
15216 get_value(ClusterProvenance self, IntsKey a0) -> IMP::Ints
15217 get_value(ClusterProvenance self, StringKey a0) -> IMP::String
15218 get_value(ClusterProvenance self, ParticleIndexKey a0) -> Particle
15219 get_value(ClusterProvenance self, ObjectKey a0) -> Object
15220 get_value(ClusterProvenance self, SparseFloatKey a0) -> IMP::Float
15221 get_value(ClusterProvenance self, SparseIntKey a0) -> IMP::Int
15222 get_value(ClusterProvenance self, SparseStringKey a0) -> IMP::String
15223 get_value(ClusterProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15225 return _IMP_core.ClusterProvenance_get_value(self, *args)
15227 def set_value(self, *args):
15229 set_value(ClusterProvenance self, FloatKey a0, IMP::Float a1)
15230 set_value(ClusterProvenance self, IntKey a0, IMP::Int a1)
15231 set_value(ClusterProvenance self, FloatsKey a0, IMP::Floats a1)
15232 set_value(ClusterProvenance self, IntsKey a0, IMP::Ints a1)
15233 set_value(ClusterProvenance self, StringKey a0, IMP::String a1)
15234 set_value(ClusterProvenance self, ParticleIndexKey a0, Particle a1)
15235 set_value(ClusterProvenance self, ObjectKey a0, Object a1)
15236 set_value(ClusterProvenance self, SparseFloatKey a0, IMP::Float a1)
15237 set_value(ClusterProvenance self, SparseIntKey a0, IMP::Int a1)
15238 set_value(ClusterProvenance self, SparseStringKey a0, IMP::String a1)
15239 set_value(ClusterProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15241 return _IMP_core.ClusterProvenance_set_value(self, *args)
15243 def remove_attribute(self, *args):
15245 remove_attribute(ClusterProvenance self, FloatKey a0)
15246 remove_attribute(ClusterProvenance self, IntKey a0)
15247 remove_attribute(ClusterProvenance self, FloatsKey a0)
15248 remove_attribute(ClusterProvenance self, IntsKey a0)
15249 remove_attribute(ClusterProvenance self, StringKey a0)
15250 remove_attribute(ClusterProvenance self, ParticleIndexKey a0)
15251 remove_attribute(ClusterProvenance self, ObjectKey a0)
15252 remove_attribute(ClusterProvenance self, SparseFloatKey a0)
15253 remove_attribute(ClusterProvenance self, SparseIntKey a0)
15254 remove_attribute(ClusterProvenance self, SparseStringKey a0)
15255 remove_attribute(ClusterProvenance self, SparseParticleIndexKey a0)
15257 return _IMP_core.ClusterProvenance_remove_attribute(self, *args)
15259 def has_attribute(self, *args):
15261 has_attribute(ClusterProvenance self, FloatKey a0) -> bool
15262 has_attribute(ClusterProvenance self, IntKey a0) -> bool
15263 has_attribute(ClusterProvenance self, FloatsKey a0) -> bool
15264 has_attribute(ClusterProvenance self, IntsKey a0) -> bool
15265 has_attribute(ClusterProvenance self, StringKey a0) -> bool
15266 has_attribute(ClusterProvenance self, ParticleIndexKey a0) -> bool
15267 has_attribute(ClusterProvenance self, ObjectKey a0) -> bool
15268 has_attribute(ClusterProvenance self, SparseFloatKey a0) -> bool
15269 has_attribute(ClusterProvenance self, SparseIntKey a0) -> bool
15270 has_attribute(ClusterProvenance self, SparseStringKey a0) -> bool
15271 has_attribute(ClusterProvenance self, SparseParticleIndexKey a0) -> bool
15273 return _IMP_core.ClusterProvenance_has_attribute(self, *args)
15275 def get_derivative(self, a0):
15276 r"""get_derivative(ClusterProvenance self, FloatKey a0) -> double"""
15277 return _IMP_core.ClusterProvenance_get_derivative(self, a0)
15279 def get_name(self):
15280 r"""get_name(ClusterProvenance self) -> std::string"""
15281 return _IMP_core.ClusterProvenance_get_name(self)
15283 def clear_caches(self):
15284 r"""clear_caches(ClusterProvenance self)"""
15285 return _IMP_core.ClusterProvenance_clear_caches(self)
15287 def set_name(self, a0):
15288 r"""set_name(ClusterProvenance self, std::string a0)"""
15289 return _IMP_core.ClusterProvenance_set_name(self, a0)
15292 r"""set_check_level(ClusterProvenance self, IMP::CheckLevel a0)"""
15293 return _IMP_core.ClusterProvenance_set_check_level(self, a0)
15295 def add_to_derivative(self, a0, a1, a2):
15296 r"""add_to_derivative(ClusterProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15297 return _IMP_core.ClusterProvenance_add_to_derivative(self, a0, a1, a2)
15299 def set_is_optimized(self, a0, a1):
15300 r"""set_is_optimized(ClusterProvenance self, FloatKey a0, bool a1)"""
15301 return _IMP_core.ClusterProvenance_set_is_optimized(self, a0, a1)
15303 def get_is_optimized(self, a0):
15304 r"""get_is_optimized(ClusterProvenance self, FloatKey a0) -> bool"""
15305 return _IMP_core.ClusterProvenance_get_is_optimized(self, a0)
15308 r"""get_check_level(ClusterProvenance self) -> IMP::CheckLevel"""
15309 return _IMP_core.ClusterProvenance_get_check_level(self)
15311 def __eq__(self, *args):
15313 __eq__(ClusterProvenance self, ClusterProvenance o) -> bool
15314 __eq__(ClusterProvenance self, Particle d) -> bool
15316 return _IMP_core.ClusterProvenance___eq__(self, *args)
15318 def __ne__(self, *args):
15320 __ne__(ClusterProvenance self, ClusterProvenance o) -> bool
15321 __ne__(ClusterProvenance self, Particle d) -> bool
15323 return _IMP_core.ClusterProvenance___ne__(self, *args)
15325 def __le__(self, *args):
15327 __le__(ClusterProvenance self, ClusterProvenance o) -> bool
15328 __le__(ClusterProvenance self, Particle d) -> bool
15330 return _IMP_core.ClusterProvenance___le__(self, *args)
15332 def __lt__(self, *args):
15334 __lt__(ClusterProvenance self, ClusterProvenance o) -> bool
15335 __lt__(ClusterProvenance self, Particle d) -> bool
15337 return _IMP_core.ClusterProvenance___lt__(self, *args)
15339 def __ge__(self, *args):
15341 __ge__(ClusterProvenance self, ClusterProvenance o) -> bool
15342 __ge__(ClusterProvenance self, Particle d) -> bool
15344 return _IMP_core.ClusterProvenance___ge__(self, *args)
15346 def __gt__(self, *args):
15348 __gt__(ClusterProvenance self, ClusterProvenance o) -> bool
15349 __gt__(ClusterProvenance self, Particle d) -> bool
15351 return _IMP_core.ClusterProvenance___gt__(self, *args)
15353 def __hash__(self):
15354 r"""__hash__(ClusterProvenance self) -> std::size_t"""
15355 return _IMP_core.ClusterProvenance___hash__(self)
15358 r"""__str__(ClusterProvenance self) -> std::string"""
15359 return _IMP_core.ClusterProvenance___str__(self)
15361 def __repr__(self):
15362 r"""__repr__(ClusterProvenance self) -> std::string"""
15363 return _IMP_core.ClusterProvenance___repr__(self)
15365 def _get_as_binary(self):
15366 r"""_get_as_binary(ClusterProvenance self) -> PyObject *"""
15367 return _IMP_core.ClusterProvenance__get_as_binary(self)
15369 def _set_from_binary(self, p):
15370 r"""_set_from_binary(ClusterProvenance self, PyObject * p)"""
15371 return _IMP_core.ClusterProvenance__set_from_binary(self, p)
15373 def __getstate__(self):
15374 p = self._get_as_binary()
15375 if len(self.__dict__) > 1:
15376 d = self.__dict__.copy()
15381 def __setstate__(self, p):
15382 if not hasattr(self,
'this'):
15384 if isinstance(p, tuple):
15386 self.__dict__.update(d)
15387 return self._set_from_binary(p)
15389 __swig_destroy__ = _IMP_core.delete_ClusterProvenance
15392 _IMP_core.ClusterProvenance_swigregister(ClusterProvenance)
15393 class ScriptProvenance(Provenance):
15394 r"""Proxy of C++ IMP::core::ScriptProvenance class."""
15396 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15398 def set_filename(self, filename):
15399 r"""set_filename(ScriptProvenance self, std::string filename)"""
15400 return _IMP_core.ScriptProvenance_set_filename(self, filename)
15402 def get_filename(self):
15403 r"""get_filename(ScriptProvenance self) -> std::string"""
15404 return _IMP_core.ScriptProvenance_get_filename(self)
15406 def __init__(self, *args):
15408 __init__(ScriptProvenance self) -> ScriptProvenance
15409 __init__(ScriptProvenance self, Model m, ParticleIndex id) -> ScriptProvenance
15410 __init__(ScriptProvenance self, _ParticleAdaptor d) -> ScriptProvenance
15412 _IMP_core.ScriptProvenance_swiginit(self, _IMP_core.new_ScriptProvenance(*args))
15415 def get_is_setup(*args):
15417 get_is_setup(Model m, ParticleIndex pi) -> bool
15418 get_is_setup(_ParticleAdaptor p) -> bool
15420 return _IMP_core.ScriptProvenance_get_is_setup(*args)
15422 def show(self, *args):
15423 r"""show(ScriptProvenance self, _ostream out=std::cout)"""
15424 return _IMP_core.ScriptProvenance_show(self, *args)
15427 def setup_particle(*args):
15429 setup_particle(Model m, ParticleIndex pi, std::string filename) -> ScriptProvenance
15430 setup_particle(_ParticleAdaptor pa, std::string filename) -> ScriptProvenance
15431 setup_particle(Model m, ParticleIndex pi, ScriptProvenance o) -> ScriptProvenance
15432 setup_particle(_ParticleAdaptor pa, ScriptProvenance o) -> ScriptProvenance
15434 return _IMP_core.ScriptProvenance_setup_particle(*args)
15436 def add_attribute(self, *args):
15438 add_attribute(ScriptProvenance self, FloatKey k, IMP::Float v, bool opt)
15439 add_attribute(ScriptProvenance self, FloatKey a0, IMP::Float a1)
15440 add_attribute(ScriptProvenance self, IntKey a0, IMP::Int a1)
15441 add_attribute(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
15442 add_attribute(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
15443 add_attribute(ScriptProvenance self, StringKey a0, IMP::String a1)
15444 add_attribute(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
15445 add_attribute(ScriptProvenance self, ObjectKey a0, Object a1)
15446 add_attribute(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
15447 add_attribute(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
15448 add_attribute(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
15449 add_attribute(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15451 return _IMP_core.ScriptProvenance_add_attribute(self, *args)
15453 def get_value(self, *args):
15455 get_value(ScriptProvenance self, FloatKey a0) -> IMP::Float
15456 get_value(ScriptProvenance self, IntKey a0) -> IMP::Int
15457 get_value(ScriptProvenance self, FloatsKey a0) -> IMP::Floats
15458 get_value(ScriptProvenance self, IntsKey a0) -> IMP::Ints
15459 get_value(ScriptProvenance self, StringKey a0) -> IMP::String
15460 get_value(ScriptProvenance self, ParticleIndexKey a0) -> Particle
15461 get_value(ScriptProvenance self, ObjectKey a0) -> Object
15462 get_value(ScriptProvenance self, SparseFloatKey a0) -> IMP::Float
15463 get_value(ScriptProvenance self, SparseIntKey a0) -> IMP::Int
15464 get_value(ScriptProvenance self, SparseStringKey a0) -> IMP::String
15465 get_value(ScriptProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15467 return _IMP_core.ScriptProvenance_get_value(self, *args)
15469 def set_value(self, *args):
15471 set_value(ScriptProvenance self, FloatKey a0, IMP::Float a1)
15472 set_value(ScriptProvenance self, IntKey a0, IMP::Int a1)
15473 set_value(ScriptProvenance self, FloatsKey a0, IMP::Floats a1)
15474 set_value(ScriptProvenance self, IntsKey a0, IMP::Ints a1)
15475 set_value(ScriptProvenance self, StringKey a0, IMP::String a1)
15476 set_value(ScriptProvenance self, ParticleIndexKey a0, Particle a1)
15477 set_value(ScriptProvenance self, ObjectKey a0, Object a1)
15478 set_value(ScriptProvenance self, SparseFloatKey a0, IMP::Float a1)
15479 set_value(ScriptProvenance self, SparseIntKey a0, IMP::Int a1)
15480 set_value(ScriptProvenance self, SparseStringKey a0, IMP::String a1)
15481 set_value(ScriptProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15483 return _IMP_core.ScriptProvenance_set_value(self, *args)
15485 def remove_attribute(self, *args):
15487 remove_attribute(ScriptProvenance self, FloatKey a0)
15488 remove_attribute(ScriptProvenance self, IntKey a0)
15489 remove_attribute(ScriptProvenance self, FloatsKey a0)
15490 remove_attribute(ScriptProvenance self, IntsKey a0)
15491 remove_attribute(ScriptProvenance self, StringKey a0)
15492 remove_attribute(ScriptProvenance self, ParticleIndexKey a0)
15493 remove_attribute(ScriptProvenance self, ObjectKey a0)
15494 remove_attribute(ScriptProvenance self, SparseFloatKey a0)
15495 remove_attribute(ScriptProvenance self, SparseIntKey a0)
15496 remove_attribute(ScriptProvenance self, SparseStringKey a0)
15497 remove_attribute(ScriptProvenance self, SparseParticleIndexKey a0)
15499 return _IMP_core.ScriptProvenance_remove_attribute(self, *args)
15501 def has_attribute(self, *args):
15503 has_attribute(ScriptProvenance self, FloatKey a0) -> bool
15504 has_attribute(ScriptProvenance self, IntKey a0) -> bool
15505 has_attribute(ScriptProvenance self, FloatsKey a0) -> bool
15506 has_attribute(ScriptProvenance self, IntsKey a0) -> bool
15507 has_attribute(ScriptProvenance self, StringKey a0) -> bool
15508 has_attribute(ScriptProvenance self, ParticleIndexKey a0) -> bool
15509 has_attribute(ScriptProvenance self, ObjectKey a0) -> bool
15510 has_attribute(ScriptProvenance self, SparseFloatKey a0) -> bool
15511 has_attribute(ScriptProvenance self, SparseIntKey a0) -> bool
15512 has_attribute(ScriptProvenance self, SparseStringKey a0) -> bool
15513 has_attribute(ScriptProvenance self, SparseParticleIndexKey a0) -> bool
15515 return _IMP_core.ScriptProvenance_has_attribute(self, *args)
15517 def get_derivative(self, a0):
15518 r"""get_derivative(ScriptProvenance self, FloatKey a0) -> double"""
15519 return _IMP_core.ScriptProvenance_get_derivative(self, a0)
15521 def get_name(self):
15522 r"""get_name(ScriptProvenance self) -> std::string"""
15523 return _IMP_core.ScriptProvenance_get_name(self)
15525 def clear_caches(self):
15526 r"""clear_caches(ScriptProvenance self)"""
15527 return _IMP_core.ScriptProvenance_clear_caches(self)
15529 def set_name(self, a0):
15530 r"""set_name(ScriptProvenance self, std::string a0)"""
15531 return _IMP_core.ScriptProvenance_set_name(self, a0)
15534 r"""set_check_level(ScriptProvenance self, IMP::CheckLevel a0)"""
15535 return _IMP_core.ScriptProvenance_set_check_level(self, a0)
15537 def add_to_derivative(self, a0, a1, a2):
15538 r"""add_to_derivative(ScriptProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15539 return _IMP_core.ScriptProvenance_add_to_derivative(self, a0, a1, a2)
15541 def set_is_optimized(self, a0, a1):
15542 r"""set_is_optimized(ScriptProvenance self, FloatKey a0, bool a1)"""
15543 return _IMP_core.ScriptProvenance_set_is_optimized(self, a0, a1)
15545 def get_is_optimized(self, a0):
15546 r"""get_is_optimized(ScriptProvenance self, FloatKey a0) -> bool"""
15547 return _IMP_core.ScriptProvenance_get_is_optimized(self, a0)
15550 r"""get_check_level(ScriptProvenance self) -> IMP::CheckLevel"""
15551 return _IMP_core.ScriptProvenance_get_check_level(self)
15553 def __eq__(self, *args):
15555 __eq__(ScriptProvenance self, ScriptProvenance o) -> bool
15556 __eq__(ScriptProvenance self, Particle d) -> bool
15558 return _IMP_core.ScriptProvenance___eq__(self, *args)
15560 def __ne__(self, *args):
15562 __ne__(ScriptProvenance self, ScriptProvenance o) -> bool
15563 __ne__(ScriptProvenance self, Particle d) -> bool
15565 return _IMP_core.ScriptProvenance___ne__(self, *args)
15567 def __le__(self, *args):
15569 __le__(ScriptProvenance self, ScriptProvenance o) -> bool
15570 __le__(ScriptProvenance self, Particle d) -> bool
15572 return _IMP_core.ScriptProvenance___le__(self, *args)
15574 def __lt__(self, *args):
15576 __lt__(ScriptProvenance self, ScriptProvenance o) -> bool
15577 __lt__(ScriptProvenance self, Particle d) -> bool
15579 return _IMP_core.ScriptProvenance___lt__(self, *args)
15581 def __ge__(self, *args):
15583 __ge__(ScriptProvenance self, ScriptProvenance o) -> bool
15584 __ge__(ScriptProvenance self, Particle d) -> bool
15586 return _IMP_core.ScriptProvenance___ge__(self, *args)
15588 def __gt__(self, *args):
15590 __gt__(ScriptProvenance self, ScriptProvenance o) -> bool
15591 __gt__(ScriptProvenance self, Particle d) -> bool
15593 return _IMP_core.ScriptProvenance___gt__(self, *args)
15595 def __hash__(self):
15596 r"""__hash__(ScriptProvenance self) -> std::size_t"""
15597 return _IMP_core.ScriptProvenance___hash__(self)
15600 r"""__str__(ScriptProvenance self) -> std::string"""
15601 return _IMP_core.ScriptProvenance___str__(self)
15603 def __repr__(self):
15604 r"""__repr__(ScriptProvenance self) -> std::string"""
15605 return _IMP_core.ScriptProvenance___repr__(self)
15607 def _get_as_binary(self):
15608 r"""_get_as_binary(ScriptProvenance self) -> PyObject *"""
15609 return _IMP_core.ScriptProvenance__get_as_binary(self)
15611 def _set_from_binary(self, p):
15612 r"""_set_from_binary(ScriptProvenance self, PyObject * p)"""
15613 return _IMP_core.ScriptProvenance__set_from_binary(self, p)
15615 def __getstate__(self):
15616 p = self._get_as_binary()
15617 if len(self.__dict__) > 1:
15618 d = self.__dict__.copy()
15623 def __setstate__(self, p):
15624 if not hasattr(self,
'this'):
15626 if isinstance(p, tuple):
15628 self.__dict__.update(d)
15629 return self._set_from_binary(p)
15631 __swig_destroy__ = _IMP_core.delete_ScriptProvenance
15634 _IMP_core.ScriptProvenance_swigregister(ScriptProvenance)
15635 class SoftwareProvenance(Provenance):
15636 r"""Proxy of C++ IMP::core::SoftwareProvenance class."""
15638 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15640 def set_software_name(self, name):
15641 r"""set_software_name(SoftwareProvenance self, std::string name)"""
15642 return _IMP_core.SoftwareProvenance_set_software_name(self, name)
15644 def get_software_name(self):
15645 r"""get_software_name(SoftwareProvenance self) -> std::string"""
15646 return _IMP_core.SoftwareProvenance_get_software_name(self)
15648 def set_version(self, version):
15649 r"""set_version(SoftwareProvenance self, std::string version)"""
15650 return _IMP_core.SoftwareProvenance_set_version(self, version)
15652 def get_version(self):
15653 r"""get_version(SoftwareProvenance self) -> std::string"""
15654 return _IMP_core.SoftwareProvenance_get_version(self)
15656 def set_location(self, location):
15657 r"""set_location(SoftwareProvenance self, std::string location)"""
15658 return _IMP_core.SoftwareProvenance_set_location(self, location)
15660 def get_location(self):
15661 r"""get_location(SoftwareProvenance self) -> std::string"""
15662 return _IMP_core.SoftwareProvenance_get_location(self)
15664 def __init__(self, *args):
15666 __init__(SoftwareProvenance self) -> SoftwareProvenance
15667 __init__(SoftwareProvenance self, Model m, ParticleIndex id) -> SoftwareProvenance
15668 __init__(SoftwareProvenance self, _ParticleAdaptor d) -> SoftwareProvenance
15670 _IMP_core.SoftwareProvenance_swiginit(self, _IMP_core.new_SoftwareProvenance(*args))
15673 def get_is_setup(*args):
15675 get_is_setup(Model m, ParticleIndex pi) -> bool
15676 get_is_setup(_ParticleAdaptor p) -> bool
15678 return _IMP_core.SoftwareProvenance_get_is_setup(*args)
15680 def show(self, *args):
15681 r"""show(SoftwareProvenance self, _ostream out=std::cout)"""
15682 return _IMP_core.SoftwareProvenance_show(self, *args)
15685 def setup_particle(*args):
15687 setup_particle(Model m, ParticleIndex pi, std::string name, std::string version, std::string location) -> SoftwareProvenance
15688 setup_particle(_ParticleAdaptor pa, std::string name, std::string version, std::string location) -> SoftwareProvenance
15689 setup_particle(Model m, ParticleIndex pi, SoftwareProvenance o) -> SoftwareProvenance
15690 setup_particle(_ParticleAdaptor pa, SoftwareProvenance o) -> SoftwareProvenance
15692 return _IMP_core.SoftwareProvenance_setup_particle(*args)
15694 def add_attribute(self, *args):
15696 add_attribute(SoftwareProvenance self, FloatKey k, IMP::Float v, bool opt)
15697 add_attribute(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
15698 add_attribute(SoftwareProvenance self, IntKey a0, IMP::Int a1)
15699 add_attribute(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
15700 add_attribute(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
15701 add_attribute(SoftwareProvenance self, StringKey a0, IMP::String a1)
15702 add_attribute(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
15703 add_attribute(SoftwareProvenance self, ObjectKey a0, Object a1)
15704 add_attribute(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
15705 add_attribute(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
15706 add_attribute(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
15707 add_attribute(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15709 return _IMP_core.SoftwareProvenance_add_attribute(self, *args)
15711 def get_value(self, *args):
15713 get_value(SoftwareProvenance self, FloatKey a0) -> IMP::Float
15714 get_value(SoftwareProvenance self, IntKey a0) -> IMP::Int
15715 get_value(SoftwareProvenance self, FloatsKey a0) -> IMP::Floats
15716 get_value(SoftwareProvenance self, IntsKey a0) -> IMP::Ints
15717 get_value(SoftwareProvenance self, StringKey a0) -> IMP::String
15718 get_value(SoftwareProvenance self, ParticleIndexKey a0) -> Particle
15719 get_value(SoftwareProvenance self, ObjectKey a0) -> Object
15720 get_value(SoftwareProvenance self, SparseFloatKey a0) -> IMP::Float
15721 get_value(SoftwareProvenance self, SparseIntKey a0) -> IMP::Int
15722 get_value(SoftwareProvenance self, SparseStringKey a0) -> IMP::String
15723 get_value(SoftwareProvenance self, SparseParticleIndexKey a0) -> ParticleIndex
15725 return _IMP_core.SoftwareProvenance_get_value(self, *args)
15727 def set_value(self, *args):
15729 set_value(SoftwareProvenance self, FloatKey a0, IMP::Float a1)
15730 set_value(SoftwareProvenance self, IntKey a0, IMP::Int a1)
15731 set_value(SoftwareProvenance self, FloatsKey a0, IMP::Floats a1)
15732 set_value(SoftwareProvenance self, IntsKey a0, IMP::Ints a1)
15733 set_value(SoftwareProvenance self, StringKey a0, IMP::String a1)
15734 set_value(SoftwareProvenance self, ParticleIndexKey a0, Particle a1)
15735 set_value(SoftwareProvenance self, ObjectKey a0, Object a1)
15736 set_value(SoftwareProvenance self, SparseFloatKey a0, IMP::Float a1)
15737 set_value(SoftwareProvenance self, SparseIntKey a0, IMP::Int a1)
15738 set_value(SoftwareProvenance self, SparseStringKey a0, IMP::String a1)
15739 set_value(SoftwareProvenance self, SparseParticleIndexKey a0, ParticleIndex a1)
15741 return _IMP_core.SoftwareProvenance_set_value(self, *args)
15743 def remove_attribute(self, *args):
15745 remove_attribute(SoftwareProvenance self, FloatKey a0)
15746 remove_attribute(SoftwareProvenance self, IntKey a0)
15747 remove_attribute(SoftwareProvenance self, FloatsKey a0)
15748 remove_attribute(SoftwareProvenance self, IntsKey a0)
15749 remove_attribute(SoftwareProvenance self, StringKey a0)
15750 remove_attribute(SoftwareProvenance self, ParticleIndexKey a0)
15751 remove_attribute(SoftwareProvenance self, ObjectKey a0)
15752 remove_attribute(SoftwareProvenance self, SparseFloatKey a0)
15753 remove_attribute(SoftwareProvenance self, SparseIntKey a0)
15754 remove_attribute(SoftwareProvenance self, SparseStringKey a0)
15755 remove_attribute(SoftwareProvenance self, SparseParticleIndexKey a0)
15757 return _IMP_core.SoftwareProvenance_remove_attribute(self, *args)
15759 def has_attribute(self, *args):
15761 has_attribute(SoftwareProvenance self, FloatKey a0) -> bool
15762 has_attribute(SoftwareProvenance self, IntKey a0) -> bool
15763 has_attribute(SoftwareProvenance self, FloatsKey a0) -> bool
15764 has_attribute(SoftwareProvenance self, IntsKey a0) -> bool
15765 has_attribute(SoftwareProvenance self, StringKey a0) -> bool
15766 has_attribute(SoftwareProvenance self, ParticleIndexKey a0) -> bool
15767 has_attribute(SoftwareProvenance self, ObjectKey a0) -> bool
15768 has_attribute(SoftwareProvenance self, SparseFloatKey a0) -> bool
15769 has_attribute(SoftwareProvenance self, SparseIntKey a0) -> bool
15770 has_attribute(SoftwareProvenance self, SparseStringKey a0) -> bool
15771 has_attribute(SoftwareProvenance self, SparseParticleIndexKey a0) -> bool
15773 return _IMP_core.SoftwareProvenance_has_attribute(self, *args)
15775 def get_derivative(self, a0):
15776 r"""get_derivative(SoftwareProvenance self, FloatKey a0) -> double"""
15777 return _IMP_core.SoftwareProvenance_get_derivative(self, a0)
15779 def get_name(self):
15780 r"""get_name(SoftwareProvenance self) -> std::string"""
15781 return _IMP_core.SoftwareProvenance_get_name(self)
15783 def clear_caches(self):
15784 r"""clear_caches(SoftwareProvenance self)"""
15785 return _IMP_core.SoftwareProvenance_clear_caches(self)
15787 def set_name(self, a0):
15788 r"""set_name(SoftwareProvenance self, std::string a0)"""
15789 return _IMP_core.SoftwareProvenance_set_name(self, a0)
15792 r"""set_check_level(SoftwareProvenance self, IMP::CheckLevel a0)"""
15793 return _IMP_core.SoftwareProvenance_set_check_level(self, a0)
15795 def add_to_derivative(self, a0, a1, a2):
15796 r"""add_to_derivative(SoftwareProvenance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
15797 return _IMP_core.SoftwareProvenance_add_to_derivative(self, a0, a1, a2)
15799 def set_is_optimized(self, a0, a1):
15800 r"""set_is_optimized(SoftwareProvenance self, FloatKey a0, bool a1)"""
15801 return _IMP_core.SoftwareProvenance_set_is_optimized(self, a0, a1)
15803 def get_is_optimized(self, a0):
15804 r"""get_is_optimized(SoftwareProvenance self, FloatKey a0) -> bool"""
15805 return _IMP_core.SoftwareProvenance_get_is_optimized(self, a0)
15808 r"""get_check_level(SoftwareProvenance self) -> IMP::CheckLevel"""
15809 return _IMP_core.SoftwareProvenance_get_check_level(self)
15811 def __eq__(self, *args):
15813 __eq__(SoftwareProvenance self, SoftwareProvenance o) -> bool
15814 __eq__(SoftwareProvenance self, Particle d) -> bool
15816 return _IMP_core.SoftwareProvenance___eq__(self, *args)
15818 def __ne__(self, *args):
15820 __ne__(SoftwareProvenance self, SoftwareProvenance o) -> bool
15821 __ne__(SoftwareProvenance self, Particle d) -> bool
15823 return _IMP_core.SoftwareProvenance___ne__(self, *args)
15825 def __le__(self, *args):
15827 __le__(SoftwareProvenance self, SoftwareProvenance o) -> bool
15828 __le__(SoftwareProvenance self, Particle d) -> bool
15830 return _IMP_core.SoftwareProvenance___le__(self, *args)
15832 def __lt__(self, *args):
15834 __lt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
15835 __lt__(SoftwareProvenance self, Particle d) -> bool
15837 return _IMP_core.SoftwareProvenance___lt__(self, *args)
15839 def __ge__(self, *args):
15841 __ge__(SoftwareProvenance self, SoftwareProvenance o) -> bool
15842 __ge__(SoftwareProvenance self, Particle d) -> bool
15844 return _IMP_core.SoftwareProvenance___ge__(self, *args)
15846 def __gt__(self, *args):
15848 __gt__(SoftwareProvenance self, SoftwareProvenance o) -> bool
15849 __gt__(SoftwareProvenance self, Particle d) -> bool
15851 return _IMP_core.SoftwareProvenance___gt__(self, *args)
15853 def __hash__(self):
15854 r"""__hash__(SoftwareProvenance self) -> std::size_t"""
15855 return _IMP_core.SoftwareProvenance___hash__(self)
15858 r"""__str__(SoftwareProvenance self) -> std::string"""
15859 return _IMP_core.SoftwareProvenance___str__(self)
15861 def __repr__(self):
15862 r"""__repr__(SoftwareProvenance self) -> std::string"""
15863 return _IMP_core.SoftwareProvenance___repr__(self)
15865 def _get_as_binary(self):
15866 r"""_get_as_binary(SoftwareProvenance self) -> PyObject *"""
15867 return _IMP_core.SoftwareProvenance__get_as_binary(self)
15869 def _set_from_binary(self, p):
15870 r"""_set_from_binary(SoftwareProvenance self, PyObject * p)"""
15871 return _IMP_core.SoftwareProvenance__set_from_binary(self, p)
15873 def __getstate__(self):
15874 p = self._get_as_binary()
15875 if len(self.__dict__) > 1:
15876 d = self.__dict__.copy()
15881 def __setstate__(self, p):
15882 if not hasattr(self,
'this'):
15884 if isinstance(p, tuple):
15886 self.__dict__.update(d)
15887 return self._set_from_binary(p)
15889 __swig_destroy__ = _IMP_core.delete_SoftwareProvenance
15892 _IMP_core.SoftwareProvenance_swigregister(SoftwareProvenance)
15894 r"""Proxy of C++ IMP::core::Provenanced class."""
15896 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
15898 def get_provenance(self):
15899 r"""get_provenance(Provenanced self) -> Provenance"""
15900 return _IMP_core.Provenanced_get_provenance(self)
15902 def set_provenance(self, p):
15903 r"""set_provenance(Provenanced self, Provenance p)"""
15904 return _IMP_core.Provenanced_set_provenance(self, p)
15906 def __init__(self, *args):
15908 __init__(Provenanced self) -> Provenanced
15909 __init__(Provenanced self, Model m, ParticleIndex id) -> Provenanced
15910 __init__(Provenanced self, _ParticleAdaptor d) -> Provenanced
15912 _IMP_core.Provenanced_swiginit(self, _IMP_core.new_Provenanced(*args))
15915 def get_is_setup(*args):
15917 get_is_setup(Model m, ParticleIndex pi) -> bool
15918 get_is_setup(_ParticleAdaptor p) -> bool
15920 return _IMP_core.Provenanced_get_is_setup(*args)
15922 def show(self, *args):
15923 r"""show(Provenanced self, _ostream out=std::cout)"""
15924 return _IMP_core.Provenanced_show(self, *args)
15927 def setup_particle(*args):
15929 setup_particle(Model m, ParticleIndex pi, Provenance p) -> Provenanced
15930 setup_particle(_ParticleAdaptor pa, Provenance p) -> Provenanced
15932 return _IMP_core.Provenanced_setup_particle(*args)
15934 def add_attribute(self, *args):
15936 add_attribute(Provenanced self, FloatKey k, IMP::Float v, bool opt)
15937 add_attribute(Provenanced self, FloatKey a0, IMP::Float a1)
15938 add_attribute(Provenanced self, IntKey a0, IMP::Int a1)
15939 add_attribute(Provenanced self, FloatsKey a0, IMP::Floats a1)
15940 add_attribute(Provenanced self, IntsKey a0, IMP::Ints a1)
15941 add_attribute(Provenanced self, StringKey a0, IMP::String a1)
15942 add_attribute(Provenanced self, ParticleIndexKey a0, Particle a1)
15943 add_attribute(Provenanced self, ObjectKey a0, Object a1)
15944 add_attribute(Provenanced self, SparseFloatKey a0, IMP::Float a1)
15945 add_attribute(Provenanced self, SparseIntKey a0, IMP::Int a1)
15946 add_attribute(Provenanced self, SparseStringKey a0, IMP::String a1)
15947 add_attribute(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
15949 return _IMP_core.Provenanced_add_attribute(self, *args)
15951 def get_value(self, *args):
15953 get_value(Provenanced self, FloatKey a0) -> IMP::Float
15954 get_value(Provenanced self, IntKey a0) -> IMP::Int
15955 get_value(Provenanced self, FloatsKey a0) -> IMP::Floats
15956 get_value(Provenanced self, IntsKey a0) -> IMP::Ints
15957 get_value(Provenanced self, StringKey a0) -> IMP::String
15958 get_value(Provenanced self, ParticleIndexKey a0) -> Particle
15959 get_value(Provenanced self, ObjectKey a0) -> Object
15960 get_value(Provenanced self, SparseFloatKey a0) -> IMP::Float
15961 get_value(Provenanced self, SparseIntKey a0) -> IMP::Int
15962 get_value(Provenanced self, SparseStringKey a0) -> IMP::String
15963 get_value(Provenanced self, SparseParticleIndexKey a0) -> ParticleIndex
15965 return _IMP_core.Provenanced_get_value(self, *args)
15967 def set_value(self, *args):
15969 set_value(Provenanced self, FloatKey a0, IMP::Float a1)
15970 set_value(Provenanced self, IntKey a0, IMP::Int a1)
15971 set_value(Provenanced self, FloatsKey a0, IMP::Floats a1)
15972 set_value(Provenanced self, IntsKey a0, IMP::Ints a1)
15973 set_value(Provenanced self, StringKey a0, IMP::String a1)
15974 set_value(Provenanced self, ParticleIndexKey a0, Particle a1)
15975 set_value(Provenanced self, ObjectKey a0, Object a1)
15976 set_value(Provenanced self, SparseFloatKey a0, IMP::Float a1)
15977 set_value(Provenanced self, SparseIntKey a0, IMP::Int a1)
15978 set_value(Provenanced self, SparseStringKey a0, IMP::String a1)
15979 set_value(Provenanced self, SparseParticleIndexKey a0, ParticleIndex a1)
15981 return _IMP_core.Provenanced_set_value(self, *args)
15983 def remove_attribute(self, *args):
15985 remove_attribute(Provenanced self, FloatKey a0)
15986 remove_attribute(Provenanced self, IntKey a0)
15987 remove_attribute(Provenanced self, FloatsKey a0)
15988 remove_attribute(Provenanced self, IntsKey a0)
15989 remove_attribute(Provenanced self, StringKey a0)
15990 remove_attribute(Provenanced self, ParticleIndexKey a0)
15991 remove_attribute(Provenanced self, ObjectKey a0)
15992 remove_attribute(Provenanced self, SparseFloatKey a0)
15993 remove_attribute(Provenanced self, SparseIntKey a0)
15994 remove_attribute(Provenanced self, SparseStringKey a0)
15995 remove_attribute(Provenanced self, SparseParticleIndexKey a0)
15997 return _IMP_core.Provenanced_remove_attribute(self, *args)
15999 def has_attribute(self, *args):
16001 has_attribute(Provenanced self, FloatKey a0) -> bool
16002 has_attribute(Provenanced self, IntKey a0) -> bool
16003 has_attribute(Provenanced self, FloatsKey a0) -> bool
16004 has_attribute(Provenanced self, IntsKey a0) -> bool
16005 has_attribute(Provenanced self, StringKey a0) -> bool
16006 has_attribute(Provenanced self, ParticleIndexKey a0) -> bool
16007 has_attribute(Provenanced self, ObjectKey a0) -> bool
16008 has_attribute(Provenanced self, SparseFloatKey a0) -> bool
16009 has_attribute(Provenanced self, SparseIntKey a0) -> bool
16010 has_attribute(Provenanced self, SparseStringKey a0) -> bool
16011 has_attribute(Provenanced self, SparseParticleIndexKey a0) -> bool
16013 return _IMP_core.Provenanced_has_attribute(self, *args)
16015 def get_derivative(self, a0):
16016 r"""get_derivative(Provenanced self, FloatKey a0) -> double"""
16017 return _IMP_core.Provenanced_get_derivative(self, a0)
16019 def get_name(self):
16020 r"""get_name(Provenanced self) -> std::string"""
16021 return _IMP_core.Provenanced_get_name(self)
16023 def clear_caches(self):
16024 r"""clear_caches(Provenanced self)"""
16025 return _IMP_core.Provenanced_clear_caches(self)
16027 def set_name(self, a0):
16028 r"""set_name(Provenanced self, std::string a0)"""
16029 return _IMP_core.Provenanced_set_name(self, a0)
16032 r"""set_check_level(Provenanced self, IMP::CheckLevel a0)"""
16033 return _IMP_core.Provenanced_set_check_level(self, a0)
16035 def add_to_derivative(self, a0, a1, a2):
16036 r"""add_to_derivative(Provenanced self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
16037 return _IMP_core.Provenanced_add_to_derivative(self, a0, a1, a2)
16039 def set_is_optimized(self, a0, a1):
16040 r"""set_is_optimized(Provenanced self, FloatKey a0, bool a1)"""
16041 return _IMP_core.Provenanced_set_is_optimized(self, a0, a1)
16043 def get_is_optimized(self, a0):
16044 r"""get_is_optimized(Provenanced self, FloatKey a0) -> bool"""
16045 return _IMP_core.Provenanced_get_is_optimized(self, a0)
16048 r"""get_check_level(Provenanced self) -> IMP::CheckLevel"""
16049 return _IMP_core.Provenanced_get_check_level(self)
16051 def __eq__(self, *args):
16053 __eq__(Provenanced self, Provenanced o) -> bool
16054 __eq__(Provenanced self, Particle d) -> bool
16056 return _IMP_core.Provenanced___eq__(self, *args)
16058 def __ne__(self, *args):
16060 __ne__(Provenanced self, Provenanced o) -> bool
16061 __ne__(Provenanced self, Particle d) -> bool
16063 return _IMP_core.Provenanced___ne__(self, *args)
16065 def __le__(self, *args):
16067 __le__(Provenanced self, Provenanced o) -> bool
16068 __le__(Provenanced self, Particle d) -> bool
16070 return _IMP_core.Provenanced___le__(self, *args)
16072 def __lt__(self, *args):
16074 __lt__(Provenanced self, Provenanced o) -> bool
16075 __lt__(Provenanced self, Particle d) -> bool
16077 return _IMP_core.Provenanced___lt__(self, *args)
16079 def __ge__(self, *args):
16081 __ge__(Provenanced self, Provenanced o) -> bool
16082 __ge__(Provenanced self, Particle d) -> bool
16084 return _IMP_core.Provenanced___ge__(self, *args)
16086 def __gt__(self, *args):
16088 __gt__(Provenanced self, Provenanced o) -> bool
16089 __gt__(Provenanced self, Particle d) -> bool
16091 return _IMP_core.Provenanced___gt__(self, *args)
16093 def __hash__(self):
16094 r"""__hash__(Provenanced self) -> std::size_t"""
16095 return _IMP_core.Provenanced___hash__(self)
16098 r"""__str__(Provenanced self) -> std::string"""
16099 return _IMP_core.Provenanced___str__(self)
16101 def __repr__(self):
16102 r"""__repr__(Provenanced self) -> std::string"""
16103 return _IMP_core.Provenanced___repr__(self)
16105 def _get_as_binary(self):
16106 r"""_get_as_binary(Provenanced self) -> PyObject *"""
16107 return _IMP_core.Provenanced__get_as_binary(self)
16109 def _set_from_binary(self, p):
16110 r"""_set_from_binary(Provenanced self, PyObject * p)"""
16111 return _IMP_core.Provenanced__set_from_binary(self, p)
16113 def __getstate__(self):
16114 p = self._get_as_binary()
16115 if len(self.__dict__) > 1:
16116 d = self.__dict__.copy()
16121 def __setstate__(self, p):
16122 if not hasattr(self,
'this'):
16124 if isinstance(p, tuple):
16126 self.__dict__.update(d)
16127 return self._set_from_binary(p)
16129 __swig_destroy__ = _IMP_core.delete_Provenanced
16132 _IMP_core.Provenanced_swigregister(Provenanced)
16135 r"""add_provenance(Model m, ParticleIndex pi, Provenance p)"""
16136 return _IMP_core.add_provenance(m, pi, p)
16139 r"""create_clone(Provenance p) -> Provenance"""
16140 return _IMP_core.create_clone(p)
16144 get_transformation_aligning_first_to_second(IMP::ParticlesTemp const & a, IMP::ParticlesTemp const & b) -> Transformation3D
16145 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
16146 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
16148 return _IMP_core.get_transformation_aligning_first_to_second(*args)
16151 r"""create_restraint(PairScore ps, IMP::ParticlePair pp) -> Restraint"""
16152 return _IMP_core.create_restraint(ps, pp)
16154 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::LOWER > class."""
16156 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16158 def __init__(self, *args):
16160 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicLowerBound
16161 __init__(TruncatedHarmonicLowerBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicLowerBound
16163 _IMP_core.TruncatedHarmonicLowerBound_swiginit(self, _IMP_core.new_TruncatedHarmonicLowerBound(*args))
16165 def get_version_info(self):
16166 r"""get_version_info(TruncatedHarmonicLowerBound self) -> VersionInfo"""
16167 return _IMP_core.TruncatedHarmonicLowerBound_get_version_info(self)
16168 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicLowerBound
16171 r"""__str__(TruncatedHarmonicLowerBound self) -> std::string"""
16172 return _IMP_core.TruncatedHarmonicLowerBound___str__(self)
16174 def __repr__(self):
16175 r"""__repr__(TruncatedHarmonicLowerBound self) -> std::string"""
16176 return _IMP_core.TruncatedHarmonicLowerBound___repr__(self)
16180 return _object_cast_to_TruncatedHarmonic(o)
16184 _IMP_core.TruncatedHarmonicLowerBound_swigregister(TruncatedHarmonicLowerBound)
16186 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::UPPER > class."""
16188 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16190 def __init__(self, *args):
16192 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicUpperBound
16193 __init__(TruncatedHarmonicUpperBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicUpperBound
16195 _IMP_core.TruncatedHarmonicUpperBound_swiginit(self, _IMP_core.new_TruncatedHarmonicUpperBound(*args))
16197 def get_version_info(self):
16198 r"""get_version_info(TruncatedHarmonicUpperBound self) -> VersionInfo"""
16199 return _IMP_core.TruncatedHarmonicUpperBound_get_version_info(self)
16200 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicUpperBound
16203 r"""__str__(TruncatedHarmonicUpperBound self) -> std::string"""
16204 return _IMP_core.TruncatedHarmonicUpperBound___str__(self)
16206 def __repr__(self):
16207 r"""__repr__(TruncatedHarmonicUpperBound self) -> std::string"""
16208 return _IMP_core.TruncatedHarmonicUpperBound___repr__(self)
16212 return _object_cast_to_TruncatedHarmonic(o)
16216 _IMP_core.TruncatedHarmonicUpperBound_swigregister(TruncatedHarmonicUpperBound)
16218 r"""Proxy of C++ IMP::core::TruncatedHarmonic< IMP::core::BOTH > class."""
16220 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16222 def __init__(self, *args):
16224 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold, IMP::Float limit) -> TruncatedHarmonicBound
16225 __init__(TruncatedHarmonicBound self, IMP::Float center, IMP::Float k, IMP::Float threshold) -> TruncatedHarmonicBound
16227 _IMP_core.TruncatedHarmonicBound_swiginit(self, _IMP_core.new_TruncatedHarmonicBound(*args))
16229 def get_version_info(self):
16230 r"""get_version_info(TruncatedHarmonicBound self) -> VersionInfo"""
16231 return _IMP_core.TruncatedHarmonicBound_get_version_info(self)
16232 __swig_destroy__ = _IMP_core.delete_TruncatedHarmonicBound
16235 r"""__str__(TruncatedHarmonicBound self) -> std::string"""
16236 return _IMP_core.TruncatedHarmonicBound___str__(self)
16238 def __repr__(self):
16239 r"""__repr__(TruncatedHarmonicBound self) -> std::string"""
16240 return _IMP_core.TruncatedHarmonicBound___repr__(self)
16244 return _object_cast_to_TruncatedHarmonic(o)
16248 _IMP_core.TruncatedHarmonicBound_swigregister(TruncatedHarmonicBound)
16250 r"""Proxy of C++ IMP::Key< 34897493 > class."""
16252 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16254 def __init__(self, *args):
16256 __init__(ParticleType self) -> ParticleType
16257 __init__(ParticleType self, std::string const & c, bool is_implicit_add_permitted=True) -> ParticleType
16258 __init__(ParticleType self, unsigned int i) -> ParticleType
16260 _IMP_core.ParticleType_swiginit(self, _IMP_core.new_ParticleType(*args))
16264 r"""add_key(std::string sc) -> unsigned int"""
16265 return _IMP_core.ParticleType_add_key(sc)
16268 def get_key_exists(sc):
16269 r"""get_key_exists(std::string sc) -> bool"""
16270 return _IMP_core.ParticleType_get_key_exists(sc)
16272 def get_string(self):
16273 r"""get_string(ParticleType self) -> std::string const"""
16274 return _IMP_core.ParticleType_get_string(self)
16276 def __cmp__(self, o):
16277 r"""__cmp__(ParticleType self, ParticleType o) -> int"""
16278 return _IMP_core.ParticleType___cmp__(self, o)
16280 def __eq__(self, o):
16281 r"""__eq__(ParticleType self, ParticleType o) -> bool"""
16282 return _IMP_core.ParticleType___eq__(self, o)
16284 def __ne__(self, o):
16285 r"""__ne__(ParticleType self, ParticleType o) -> bool"""
16286 return _IMP_core.ParticleType___ne__(self, o)
16288 def __lt__(self, o):
16289 r"""__lt__(ParticleType self, ParticleType o) -> bool"""
16290 return _IMP_core.ParticleType___lt__(self, o)
16292 def __gt__(self, o):
16293 r"""__gt__(ParticleType self, ParticleType o) -> bool"""
16294 return _IMP_core.ParticleType___gt__(self, o)
16296 def __ge__(self, o):
16297 r"""__ge__(ParticleType self, ParticleType o) -> bool"""
16298 return _IMP_core.ParticleType___ge__(self, o)
16300 def __le__(self, o):
16301 r"""__le__(ParticleType self, ParticleType o) -> bool"""
16302 return _IMP_core.ParticleType___le__(self, o)
16304 def __hash__(self):
16305 r"""__hash__(ParticleType self) -> std::size_t"""
16306 return _IMP_core.ParticleType___hash__(self)
16308 def show(self, *args):
16309 r"""show(ParticleType self, _ostream out=std::cout)"""
16310 return _IMP_core.ParticleType_show(self, *args)
16313 def add_alias(old_key, new_name):
16314 r"""add_alias(ParticleType old_key, std::string new_name) -> ParticleType"""
16315 return _IMP_core.ParticleType_add_alias(old_key, new_name)
16318 def get_number_of_keys():
16319 r"""get_number_of_keys() -> unsigned int"""
16320 return _IMP_core.ParticleType_get_number_of_keys()
16323 r"""get_index(ParticleType self) -> unsigned int"""
16324 return _IMP_core.ParticleType_get_index(self)
16328 r"""show_all(_ostream out)"""
16329 return _IMP_core.ParticleType_show_all(out)
16332 def get_all_strings():
16333 r"""get_all_strings() -> IMP::Vector< std::string >"""
16334 return _IMP_core.ParticleType_get_all_strings()
16337 def get_number_unique():
16338 r"""get_number_unique() -> unsigned int"""
16339 return _IMP_core.ParticleType_get_number_unique()
16342 r"""__str__(ParticleType self) -> std::string"""
16343 return _IMP_core.ParticleType___str__(self)
16345 def __repr__(self):
16346 r"""__repr__(ParticleType self) -> std::string"""
16347 return _IMP_core.ParticleType___repr__(self)
16348 __swig_destroy__ = _IMP_core.delete_ParticleType
16351 _IMP_core.ParticleType_swigregister(ParticleType)
16353 r"""Proxy of C++ IMP::core::GenericAttributeSingletonScore< UnaryFunction > class."""
16355 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16356 __repr__ = _swig_repr
16358 def __init__(self, f, k):
16359 r"""__init__(AttributeSingletonScore self, UnaryFunction f, FloatKey k) -> AttributeSingletonScore"""
16360 _IMP_core.AttributeSingletonScore_swiginit(self, _IMP_core.new_AttributeSingletonScore(f, k))
16362 def do_get_inputs(self, m, pis):
16363 r"""do_get_inputs(AttributeSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16364 return _IMP_core.AttributeSingletonScore_do_get_inputs(self, m, pis)
16366 def get_unary_function(self):
16367 r"""get_unary_function(AttributeSingletonScore self) -> UnaryFunction"""
16368 return _IMP_core.AttributeSingletonScore_get_unary_function(self)
16370 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16371 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"""
16372 return _IMP_core.AttributeSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16374 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16375 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"""
16376 return _IMP_core.AttributeSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16378 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16379 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"""
16380 return _IMP_core.AttributeSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16382 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16383 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"""
16384 return _IMP_core.AttributeSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16386 def get_version_info(self):
16387 r"""get_version_info(AttributeSingletonScore self) -> VersionInfo"""
16388 return _IMP_core.AttributeSingletonScore_get_version_info(self)
16389 __swig_destroy__ = _IMP_core.delete_AttributeSingletonScore
16393 return _object_cast_to_AttributeSingletonScore(o)
16397 _IMP_core.AttributeSingletonScore_swigregister(AttributeSingletonScore)
16400 r"""create_generic_attribute_singleton_score(UnaryFunction uf, FloatKey k) -> AttributeSingletonScore"""
16401 return _IMP_core.create_generic_attribute_singleton_score(uf, k)
16403 r"""Proxy of C++ IMP::core::GenericBoundingBox3DSingletonScore< UnaryFunction > class."""
16405 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16406 __repr__ = _swig_repr
16408 def __init__(self, f, bb):
16409 r"""__init__(BoundingBox3DSingletonScore self, UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
16410 _IMP_core.BoundingBox3DSingletonScore_swiginit(self, _IMP_core.new_BoundingBox3DSingletonScore(f, bb))
16412 def get_unary_function(self):
16413 r"""get_unary_function(BoundingBox3DSingletonScore self) -> UnaryFunction"""
16414 return _IMP_core.BoundingBox3DSingletonScore_get_unary_function(self)
16417 r"""get_bounding_box(BoundingBox3DSingletonScore self) -> BoundingBox3D"""
16418 return _IMP_core.BoundingBox3DSingletonScore_get_bounding_box(self)
16420 def do_get_inputs(self, m, pis):
16421 r"""do_get_inputs(BoundingBox3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16422 return _IMP_core.BoundingBox3DSingletonScore_do_get_inputs(self, m, pis)
16424 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16425 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"""
16426 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16428 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16429 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"""
16430 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16432 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16433 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"""
16434 return _IMP_core.BoundingBox3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16436 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16437 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"""
16438 return _IMP_core.BoundingBox3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16440 def get_version_info(self):
16441 r"""get_version_info(BoundingBox3DSingletonScore self) -> VersionInfo"""
16442 return _IMP_core.BoundingBox3DSingletonScore_get_version_info(self)
16443 __swig_destroy__ = _IMP_core.delete_BoundingBox3DSingletonScore
16447 return _object_cast_to_BoundingBox3DSingletonScore(o)
16450 def _get_jax(self, m, indexes):
16451 import jax.numpy
as jnp
16452 def score(jm, box_min, box_max, uf):
16453 xyzs = jm[
'xyz'][indexes]
16460 drs = jnp.linalg.norm(
16461 xyzs - jnp.clip(xyzs, box_min, box_max), axis=1)
16463 uf = self.get_unary_function().get_derived_object()
16464 bb = self.get_bounding_box()
16465 f = functools.partial(score, box_min=jnp.asarray(bb.get_corner(0)),
16466 box_max=jnp.asarray(bb.get_corner(1)),
16468 return self._wrap_jax(m, f)
16472 _IMP_core.BoundingBox3DSingletonScore_swigregister(BoundingBox3DSingletonScore)
16474 def create_bounding_box_3d_singleton_score(f, bb):
16475 r"""create_bounding_box_3d_singleton_score(UnaryFunction f, BoundingBox3D bb) -> BoundingBox3DSingletonScore"""
16476 return _IMP_core.create_bounding_box_3d_singleton_score(f, bb)
16478 r"""Proxy of C++ IMP::core::GenericBoundingSphere3DSingletonScore< UnaryFunction > class."""
16480 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16481 __repr__ = _swig_repr
16483 def __init__(self, f, sphere):
16484 r"""__init__(BoundingSphere3DSingletonScore self, UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
16485 _IMP_core.BoundingSphere3DSingletonScore_swiginit(self, _IMP_core.new_BoundingSphere3DSingletonScore(f, sphere))
16487 def do_get_inputs(self, m, pis):
16488 r"""do_get_inputs(BoundingSphere3DSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16489 return _IMP_core.BoundingSphere3DSingletonScore_do_get_inputs(self, m, pis)
16491 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16492 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"""
16493 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16495 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16496 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"""
16497 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16499 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16500 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"""
16501 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16503 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16504 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"""
16505 return _IMP_core.BoundingSphere3DSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16507 def get_version_info(self):
16508 r"""get_version_info(BoundingSphere3DSingletonScore self) -> VersionInfo"""
16509 return _IMP_core.BoundingSphere3DSingletonScore_get_version_info(self)
16510 __swig_destroy__ = _IMP_core.delete_BoundingSphere3DSingletonScore
16514 return _object_cast_to_BoundingSphere3DSingletonScore(o)
16518 _IMP_core.BoundingSphere3DSingletonScore_swigregister(BoundingSphere3DSingletonScore)
16520 def create_bounding_sphere_3d_singleton_score(f, sphere):
16521 r"""create_bounding_sphere_3d_singleton_score(UnaryFunction f, Sphere3D sphere) -> BoundingSphere3DSingletonScore"""
16522 return _IMP_core.create_bounding_sphere_3d_singleton_score(f, sphere)
16524 r"""Proxy of C++ IMP::core::GenericDistanceToSingletonScore< UnaryFunction > class."""
16526 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
16527 __repr__ = _swig_repr
16529 def __init__(self, *args):
16531 __init__(DistanceToSingletonScore self, UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore
16532 __init__(DistanceToSingletonScore self) -> DistanceToSingletonScore
16534 _IMP_core.DistanceToSingletonScore_swiginit(self, _IMP_core.new_DistanceToSingletonScore(*args))
16536 def do_get_inputs(self, m, pis):
16537 r"""do_get_inputs(DistanceToSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
16538 return _IMP_core.DistanceToSingletonScore_do_get_inputs(self, m, pis)
16540 def get_unary_function(self):
16541 r"""get_unary_function(DistanceToSingletonScore self) -> UnaryFunction"""
16542 return _IMP_core.DistanceToSingletonScore_get_unary_function(self)
16544 def get_point(self):
16545 r"""get_point(DistanceToSingletonScore self) -> Vector3D"""
16546 return _IMP_core.DistanceToSingletonScore_get_point(self)
16548 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
16549 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"""
16550 return _IMP_core.DistanceToSingletonScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
16552 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
16553 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"""
16554 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
16556 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
16557 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"""
16558 return _IMP_core.DistanceToSingletonScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
16560 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
16561 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"""
16562 return _IMP_core.DistanceToSingletonScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
16564 def get_version_info(self):
16565 r"""get_version_info(DistanceToSingletonScore self) -> VersionInfo"""
16566 return _IMP_core.DistanceToSingletonScore_get_version_info(self)
16567 __swig_destroy__ = _IMP_core.delete_DistanceToSingletonScore
16571 return _object_cast_to_DistanceToSingletonScore(o)
16574 def _get_as_binary(self):
16575 r"""_get_as_binary(DistanceToSingletonScore self) -> PyObject *"""
16576 return _IMP_core.DistanceToSingletonScore__get_as_binary(self)
16578 def _set_from_binary(self, p):
16579 r"""_set_from_binary(DistanceToSingletonScore self, PyObject * p)"""
16580 return _IMP_core.DistanceToSingletonScore__set_from_binary(self, p)
16582 def __getstate__(self):
16583 p = self._get_as_binary()
16584 if len(self.__dict__) > 1:
16585 d = self.__dict__.copy()
16590 def __setstate__(self, p):
16591 if not hasattr(self,
'this'):
16593 if isinstance(p, tuple):
16595 self.__dict__.update(d)
16596 return self._set_from_binary(p)
16599 def _get_jax(self, m, indexes):
16600 import jax.numpy
as jnp
16601 def score(jm, point, uf):
16602 xyzs = jm[
'xyz'][indexes]
16603 drs = jnp.linalg.norm(xyzs - point, axis=1)
16605 uf = self.get_unary_function().get_derived_object()
16606 f = functools.partial(score, point=jnp.array(self.get_point()),
16608 return self._wrap_jax(m, f)
16612 _IMP_core.DistanceToSingletonScore_swigregister(DistanceToSingletonScore)
16614 def create_distance_to_singleton_score(f, pt):
16615 r"""create_distance_to_singleton_score(UnaryFunction f, Vector3D pt) -> DistanceToSingletonScore"""
16616 return _IMP_core.create_distance_to_singleton_score(f, pt)
16618 class SphereDistancePairScore(_SphereDistancePairScore.__bases__[0]):
16619 def __init__(self, uf):
16620 if isinstance(uf, HarmonicUpperBound):
16621 p = HarmonicUpperBoundSphereDistancePairScore(
16622 uf.get_mean(), uf.get_k())
16623 elif isinstance(uf, HarmonicLowerBound):
16624 if uf.get_mean() == 0.0:
16625 p = SoftSpherePairScore(uf.get_k())
16627 p = _SphereDistancePairScore(uf)
16628 elif isinstance(uf, Harmonic):
16629 p = HarmonicSphereDistancePairScore(
16630 uf.get_mean(), uf.get_k())
16632 p = _SphereDistancePairScore(uf)
16633 self.__dict__[
'_proxied'] = p
16634 def __getattr__(self, key):
16635 return getattr(self._proxied, key)
16636 def __setattr__(self, key, val):
16637 return setattr(self._proxied, key, val)
16639 def __getstate__(self):
16640 return self.__dict__[
'_proxied']
16642 def __setstate__(self, p):
16643 self.__dict__[
'_proxied'] = p
16648 p = HarmonicUpperBoundSphereDistancePairScore.get_from(o)
16651 p = HarmonicSphereDistancePairScore.get_from(o)
16654 p = SoftSpherePairScore.get_from(o)
16656 p = _SphereDistancePairScore.get_from(o)
16657 obj = object.__new__(SphereDistancePairScore)
16658 obj.__dict__[
'_proxied'] = p
16664 CombineProvenance, FilterProvenance,
16665 ClusterProvenance, ScriptProvenance,
16666 SoftwareProvenance]):
16667 """Yield all provenance decorators of the given types for the particle.
16668 By default, all provenance types are returned. Provenance is returned
16669 in order, most recent first. If the particle has no provenance
16670 information, an empty generator is returned."""
16671 if Provenanced.get_is_setup(p):
16675 if c.get_is_setup(prov):
16677 prov = prov.get_previous()
16680 """Tag the given particle with the current Python script.
16681 This is a noop if the particle is already so tagged."""
16682 main = sys.modules[
'__main__']
16684 if not hasattr(main,
'__file__'):
16688 if prov.get_filename() == f:
16692 provp.set_name(
'script')
16693 prov = ScriptProvenance.setup_particle(provp, f)
16697 """Tag the given particle with the software used to create it.
16698 This is a noop if the particle is already so tagged."""
16700 if prov.get_software_name() == name
and prov.get_version() == version \
16701 and prov.get_location() == location:
16705 provp.set_name(
'software')
16706 prov = SoftwareProvenance.setup_particle(provp, name, version, location)
16710 """Tag the given particle as being created by the current version of IMP."""
16713 location=
"https://integrativemodeling.org")
16716 def get_module_name():
16717 r"""get_module_name() -> std::string const"""
16718 return _IMP_core.get_module_name()
16721 r"""get_module_version() -> std::string const"""
16722 return _IMP_core.get_module_version()
16725 r"""get_example_path(std::string fname) -> std::string"""
16726 return _IMP_core.get_example_path(fname)
16729 r"""get_data_path(std::string fname) -> std::string"""
16730 return _IMP_core.get_data_path(fname)
16732 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.