17 import builtins
as __builtin__
21 strthis =
"proxy of " + self.this.__repr__()
22 except __builtin__.Exception:
24 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
27 def _swig_setattr_nondynamic_instance_variable(set):
28 def set_instance_attr(self, name, value):
30 set(self, name, value)
31 elif name ==
"thisown":
33 elif hasattr(self, name)
and isinstance(getattr(type(self), name), property):
34 set(self, name, value)
36 raise AttributeError(
"You cannot add instance attributes to %s" % self)
37 return set_instance_attr
40 def _swig_setattr_nondynamic_class_variable(set):
41 def set_class_attr(cls, name, value):
42 if hasattr(cls, name)
and not isinstance(getattr(cls, name), property):
45 raise AttributeError(
"You cannot add class attributes to %s" % cls)
49 class _SwigNonDynamicMeta(type):
50 """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
51 __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
56 class IMP_ISD_SwigPyIterator(object):
57 r"""Proxy of C++ swig::IMP_ISD_SwigPyIterator class."""
59 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
61 def __init__(self, *args, **kwargs):
62 raise AttributeError(
"No constructor defined - class is abstract")
64 __swig_destroy__ = _IMP_isd.delete_IMP_ISD_SwigPyIterator
67 r"""value(IMP_ISD_SwigPyIterator self) -> PyObject *"""
68 return _IMP_isd.IMP_ISD_SwigPyIterator_value(self)
71 r"""incr(IMP_ISD_SwigPyIterator self, size_t n=1) -> IMP_ISD_SwigPyIterator"""
72 return _IMP_isd.IMP_ISD_SwigPyIterator_incr(self, n)
75 r"""decr(IMP_ISD_SwigPyIterator self, size_t n=1) -> IMP_ISD_SwigPyIterator"""
76 return _IMP_isd.IMP_ISD_SwigPyIterator_decr(self, n)
78 def distance(self, x):
79 r"""distance(IMP_ISD_SwigPyIterator self, IMP_ISD_SwigPyIterator x) -> ptrdiff_t"""
80 return _IMP_isd.IMP_ISD_SwigPyIterator_distance(self, x)
83 r"""equal(IMP_ISD_SwigPyIterator self, IMP_ISD_SwigPyIterator x) -> bool"""
84 return _IMP_isd.IMP_ISD_SwigPyIterator_equal(self, x)
87 r"""copy(IMP_ISD_SwigPyIterator self) -> IMP_ISD_SwigPyIterator"""
88 return _IMP_isd.IMP_ISD_SwigPyIterator_copy(self)
91 r"""__next__(IMP_ISD_SwigPyIterator self) -> PyObject *"""
92 return _IMP_isd.IMP_ISD_SwigPyIterator___next__(self)
95 r"""previous(IMP_ISD_SwigPyIterator self) -> PyObject *"""
96 return _IMP_isd.IMP_ISD_SwigPyIterator_previous(self)
99 r"""advance(IMP_ISD_SwigPyIterator self, ptrdiff_t n) -> IMP_ISD_SwigPyIterator"""
100 return _IMP_isd.IMP_ISD_SwigPyIterator_advance(self, n)
103 r"""__eq__(IMP_ISD_SwigPyIterator self, IMP_ISD_SwigPyIterator x) -> bool"""
104 return _IMP_isd.IMP_ISD_SwigPyIterator___eq__(self, x)
107 r"""__ne__(IMP_ISD_SwigPyIterator self, IMP_ISD_SwigPyIterator x) -> bool"""
108 return _IMP_isd.IMP_ISD_SwigPyIterator___ne__(self, x)
110 def __iadd__(self, n):
111 r"""__iadd__(IMP_ISD_SwigPyIterator self, ptrdiff_t n) -> IMP_ISD_SwigPyIterator"""
112 return _IMP_isd.IMP_ISD_SwigPyIterator___iadd__(self, n)
114 def __isub__(self, n):
115 r"""__isub__(IMP_ISD_SwigPyIterator self, ptrdiff_t n) -> IMP_ISD_SwigPyIterator"""
116 return _IMP_isd.IMP_ISD_SwigPyIterator___isub__(self, n)
118 def __add__(self, n):
119 r"""__add__(IMP_ISD_SwigPyIterator self, ptrdiff_t n) -> IMP_ISD_SwigPyIterator"""
120 return _IMP_isd.IMP_ISD_SwigPyIterator___add__(self, n)
122 def __sub__(self, *args):
124 __sub__(IMP_ISD_SwigPyIterator self, ptrdiff_t n) -> IMP_ISD_SwigPyIterator
125 __sub__(IMP_ISD_SwigPyIterator self, IMP_ISD_SwigPyIterator x) -> ptrdiff_t
127 return _IMP_isd.IMP_ISD_SwigPyIterator___sub__(self, *args)
132 _IMP_isd.IMP_ISD_SwigPyIterator_swigregister(IMP_ISD_SwigPyIterator)
139 IMP_DEBUG = _IMP_isd.IMP_DEBUG
141 IMP_RELEASE = _IMP_isd.IMP_RELEASE
143 IMP_SILENT = _IMP_isd.IMP_SILENT
145 IMP_PROGRESS = _IMP_isd.IMP_PROGRESS
147 IMP_TERSE = _IMP_isd.IMP_TERSE
149 IMP_VERBOSE = _IMP_isd.IMP_VERBOSE
151 IMP_MEMORY = _IMP_isd.IMP_MEMORY
153 IMP_NONE = _IMP_isd.IMP_NONE
155 IMP_USAGE = _IMP_isd.IMP_USAGE
157 IMP_INTERNAL = _IMP_isd.IMP_INTERNAL
159 IMP_KERNEL_HAS_LOG4CXX = _IMP_isd.IMP_KERNEL_HAS_LOG4CXX
161 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_isd.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
163 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_isd.IMP_COMPILER_HAS_DEBUG_VECTOR
165 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_isd.IMP_COMPILER_HAS_RANDOM_SHUFFLE
167 IMP_COMPILER_HAS_THREE_WAY = _IMP_isd.IMP_COMPILER_HAS_THREE_WAY
169 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_isd.IMP_KERNEL_HAS_BOOST_RANDOM
171 IMP_KERNEL_HAS_NUMPY = _IMP_isd.IMP_KERNEL_HAS_NUMPY
173 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_isd.IMP_KERNEL_HAS_BOOST_SYSTEM
175 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_isd.IMP_KERNEL_HAS_GPERFTOOLS
177 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_isd.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
179 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_isd.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
181 IMPKERNEL_SHOW_WARNINGS = _IMP_isd.IMPKERNEL_SHOW_WARNINGS
185 class _DirectorObjects:
186 """@internal Simple class to keep references to director objects
187 to prevent premature deletion."""
190 def register(self, obj):
191 """Take a reference to a director object; will only work for
192 refcounted C++ classes"""
193 if hasattr(obj,
'get_ref_count'):
194 self._objects.append(obj)
196 """Only drop our reference and allow cleanup by Python if no other
197 Python references exist (we hold 3 references: one in self._objects,
198 one in x, and one in the argument list for getrefcount) *and* no
199 other C++ references exist (the Python object always holds one)"""
200 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
201 or x.get_ref_count() > 1]
205 def get_object_count(self):
206 """Get number of director objects (useful for testing only)"""
207 return len(self._objects)
208 _director_objects = _DirectorObjects()
210 class _ostream(object):
211 r"""Proxy of C++ std::ostream class."""
213 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
215 def __init__(self, *args, **kwargs):
216 raise AttributeError(
"No constructor defined")
217 __repr__ = _swig_repr
219 def write(self, osa_buf):
220 r"""write(_ostream self, char const * osa_buf)"""
221 return _IMP_isd._ostream_write(self, osa_buf)
224 _IMP_isd._ostream_swigregister(_ostream)
225 IMP_C_OPEN_BINARY = _IMP_isd.IMP_C_OPEN_BINARY
228 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_CGAL_HAS_BOOST_FILESYSTEM
230 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
232 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_isd.IMP_CGAL_HAS_BOOST_RANDOM
234 IMP_CGAL_HAS_NUMPY = _IMP_isd.IMP_CGAL_HAS_NUMPY
236 IMPCGAL_SHOW_WARNINGS = _IMP_isd.IMPCGAL_SHOW_WARNINGS
239 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_isd.IMP_ALGEBRA_HAS_IMP_CGAL
241 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
243 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
245 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_isd.IMP_ALGEBRA_HAS_BOOST_RANDOM
247 IMP_ALGEBRA_HAS_CGAL = _IMP_isd.IMP_ALGEBRA_HAS_CGAL
249 IMP_ALGEBRA_HAS_NUMPY = _IMP_isd.IMP_ALGEBRA_HAS_NUMPY
251 IMP_ALGEBRA_HAS_ANN = _IMP_isd.IMP_ALGEBRA_HAS_ANN
253 IMPALGEBRA_SHOW_WARNINGS = _IMP_isd.IMPALGEBRA_SHOW_WARNINGS
256 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_isd.IMP_DISPLAY_HAS_IMP_CGAL
258 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
260 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
262 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_isd.IMP_DISPLAY_HAS_BOOST_RANDOM
264 IMP_DISPLAY_HAS_CGAL = _IMP_isd.IMP_DISPLAY_HAS_CGAL
266 IMP_DISPLAY_HAS_NUMPY = _IMP_isd.IMP_DISPLAY_HAS_NUMPY
268 IMPDISPLAY_SHOW_WARNINGS = _IMP_isd.IMPDISPLAY_SHOW_WARNINGS
271 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
273 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
275 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
277 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
279 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_CGAL
281 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_HDF5
283 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_NUMPY
285 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_isd.IMPSCOREFUNCTOR_SHOW_WARNINGS
288 IMP_STATISTICS_HAS_IMP_CGAL = _IMP_isd.IMP_STATISTICS_HAS_IMP_CGAL
290 IMP_STATISTICS_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_STATISTICS_HAS_BOOST_FILESYSTEM
292 IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS
294 IMP_STATISTICS_HAS_BOOST_RANDOM = _IMP_isd.IMP_STATISTICS_HAS_BOOST_RANDOM
296 IMP_STATISTICS_HAS_CGAL = _IMP_isd.IMP_STATISTICS_HAS_CGAL
298 IMP_STATISTICS_HAS_NUMPY = _IMP_isd.IMP_STATISTICS_HAS_NUMPY
300 IMPSTATISTICS_SHOW_WARNINGS = _IMP_isd.IMPSTATISTICS_SHOW_WARNINGS
303 IMP_CORE_HAS_IMP_CGAL = _IMP_isd.IMP_CORE_HAS_IMP_CGAL
305 IMP_CORE_HAS_IMP_KERNEL = _IMP_isd.IMP_CORE_HAS_IMP_KERNEL
307 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_CORE_HAS_BOOST_FILESYSTEM
309 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
311 IMP_CORE_HAS_BOOST_RANDOM = _IMP_isd.IMP_CORE_HAS_BOOST_RANDOM
313 IMP_CORE_HAS_CGAL = _IMP_isd.IMP_CORE_HAS_CGAL
315 IMP_CORE_HAS_HDF5 = _IMP_isd.IMP_CORE_HAS_HDF5
317 IMP_CORE_HAS_NUMPY = _IMP_isd.IMP_CORE_HAS_NUMPY
319 IMPCORE_SHOW_WARNINGS = _IMP_isd.IMPCORE_SHOW_WARNINGS
322 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_isd.IMP_CONTAINER_HAS_IMP_ALGEBRA
324 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_isd.IMP_CONTAINER_HAS_IMP_CGAL
326 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_isd.IMP_CONTAINER_HAS_IMP_DISPLAY
328 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_isd.IMP_CONTAINER_HAS_IMP_KERNEL
330 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_isd.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
332 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
334 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
336 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_isd.IMP_CONTAINER_HAS_BOOST_RANDOM
338 IMP_CONTAINER_HAS_CGAL = _IMP_isd.IMP_CONTAINER_HAS_CGAL
340 IMP_CONTAINER_HAS_HDF5 = _IMP_isd.IMP_CONTAINER_HAS_HDF5
342 IMP_CONTAINER_HAS_NUMPY = _IMP_isd.IMP_CONTAINER_HAS_NUMPY
344 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_isd.IMP_CONTAINER_HAS_PYTHON_IHM
346 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_isd.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
348 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_isd.IMP_CONTAINER_HAS_ROBIN_MAP
350 IMPCONTAINER_SHOW_WARNINGS = _IMP_isd.IMPCONTAINER_SHOW_WARNINGS
353 IMP_ATOM_HAS_IMP_CGAL = _IMP_isd.IMP_ATOM_HAS_IMP_CGAL
355 IMP_ATOM_HAS_IMP_KERNEL = _IMP_isd.IMP_ATOM_HAS_IMP_KERNEL
357 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_isd.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
359 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
361 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_isd.IMP_ATOM_HAS_BOOST_RANDOM
363 IMP_ATOM_HAS_BOOST_REGEX = _IMP_isd.IMP_ATOM_HAS_BOOST_REGEX
365 IMP_ATOM_HAS_CGAL = _IMP_isd.IMP_ATOM_HAS_CGAL
367 IMP_ATOM_HAS_HDF5 = _IMP_isd.IMP_ATOM_HAS_HDF5
369 IMP_ATOM_HAS_NUMPY = _IMP_isd.IMP_ATOM_HAS_NUMPY
371 IMP_ATOM_HAS_PYTHON_IHM = _IMP_isd.IMP_ATOM_HAS_PYTHON_IHM
373 IMPATOM_SHOW_WARNINGS = _IMP_isd.IMPATOM_SHOW_WARNINGS
375 IMP_ATOM_TYPE_INDEX = _IMP_isd.IMP_ATOM_TYPE_INDEX
377 IMP_RESIDUE_TYPE_INDEX = _IMP_isd.IMP_RESIDUE_TYPE_INDEX
379 IMP_HIERARCHY_TYPE_INDEX = _IMP_isd.IMP_HIERARCHY_TYPE_INDEX
381 IMP_CHAIN_TYPE_INDEX = _IMP_isd.IMP_CHAIN_TYPE_INDEX
384 IMP_EM_HAS_IMP_CGAL = _IMP_isd.IMP_EM_HAS_IMP_CGAL
386 IMP_EM_HAS_IMP_CONTAINER = _IMP_isd.IMP_EM_HAS_IMP_CONTAINER
388 IMP_EM_HAS_IMP_DISPLAY = _IMP_isd.IMP_EM_HAS_IMP_DISPLAY
390 IMP_EM_HAS_IMP_SCORE_FUNCTOR = _IMP_isd.IMP_EM_HAS_IMP_SCORE_FUNCTOR
392 IMP_EM_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_EM_HAS_BOOST_FILESYSTEM
394 IMP_EM_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_EM_HAS_BOOST_PROGRAMOPTIONS
396 IMP_EM_HAS_BOOST_RANDOM = _IMP_isd.IMP_EM_HAS_BOOST_RANDOM
398 IMP_EM_HAS_BOOST_REGEX = _IMP_isd.IMP_EM_HAS_BOOST_REGEX
400 IMP_EM_HAS_CGAL = _IMP_isd.IMP_EM_HAS_CGAL
402 IMP_EM_HAS_HDF5 = _IMP_isd.IMP_EM_HAS_HDF5
404 IMP_EM_HAS_NUMPY = _IMP_isd.IMP_EM_HAS_NUMPY
406 IMP_EM_HAS_PYTHON_IHM = _IMP_isd.IMP_EM_HAS_PYTHON_IHM
408 IMPEM_SHOW_WARNINGS = _IMP_isd.IMPEM_SHOW_WARNINGS
411 IMP_SAXS_HAS_IMP_CGAL = _IMP_isd.IMP_SAXS_HAS_IMP_CGAL
413 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_isd.IMP_SAXS_HAS_IMP_CONTAINER
415 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_isd.IMP_SAXS_HAS_IMP_DISPLAY
417 IMP_SAXS_HAS_IMP_KERNEL = _IMP_isd.IMP_SAXS_HAS_IMP_KERNEL
419 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_isd.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
421 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_SAXS_HAS_BOOST_FILESYSTEM
423 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
425 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_isd.IMP_SAXS_HAS_BOOST_RANDOM
427 IMP_SAXS_HAS_BOOST_REGEX = _IMP_isd.IMP_SAXS_HAS_BOOST_REGEX
429 IMP_SAXS_HAS_CGAL = _IMP_isd.IMP_SAXS_HAS_CGAL
431 IMP_SAXS_HAS_HDF5 = _IMP_isd.IMP_SAXS_HAS_HDF5
433 IMP_SAXS_HAS_NUMPY = _IMP_isd.IMP_SAXS_HAS_NUMPY
435 IMP_SAXS_HAS_PYTHON_IHM = _IMP_isd.IMP_SAXS_HAS_PYTHON_IHM
437 IMPSAXS_SHOW_WARNINGS = _IMP_isd.IMPSAXS_SHOW_WARNINGS
440 IMP_ISD_HAS_IMP_CGAL = _IMP_isd.IMP_ISD_HAS_IMP_CGAL
442 IMP_ISD_HAS_IMP_DISPLAY = _IMP_isd.IMP_ISD_HAS_IMP_DISPLAY
444 IMP_ISD_HAS_IMP_SCORE_FUNCTOR = _IMP_isd.IMP_ISD_HAS_IMP_SCORE_FUNCTOR
446 IMP_ISD_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_ISD_HAS_BOOST_FILESYSTEM
448 IMP_ISD_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_ISD_HAS_BOOST_PROGRAMOPTIONS
450 IMP_ISD_HAS_BOOST_RANDOM = _IMP_isd.IMP_ISD_HAS_BOOST_RANDOM
452 IMP_ISD_HAS_BOOST_REGEX = _IMP_isd.IMP_ISD_HAS_BOOST_REGEX
454 IMP_ISD_HAS_CGAL = _IMP_isd.IMP_ISD_HAS_CGAL
456 IMP_ISD_HAS_HDF5 = _IMP_isd.IMP_ISD_HAS_HDF5
458 IMP_ISD_HAS_NUMPY = _IMP_isd.IMP_ISD_HAS_NUMPY
460 IMP_ISD_HAS_PYTHON_IHM = _IMP_isd.IMP_ISD_HAS_PYTHON_IHM
462 IMPISD_SHOW_WARNINGS = _IMP_isd.IMPISD_SHOW_WARNINGS
465 _object_types.append(
"ISDRestraint")
468 def _object_cast_to_ISDRestraint(o):
469 r"""_object_cast_to_ISDRestraint(Object o) -> ISDRestraint"""
470 return _IMP_isd._object_cast_to_ISDRestraint(o)
472 _object_types.append(
"CrossLinkMSRestraint")
475 def _object_cast_to_CrossLinkMSRestraint(o):
476 r"""_object_cast_to_CrossLinkMSRestraint(Object o) -> CrossLinkMSRestraint"""
477 return _IMP_isd._object_cast_to_CrossLinkMSRestraint(o)
479 _object_types.append(
"LogWrapper")
482 def _object_cast_to_LogWrapper(o):
483 r"""_object_cast_to_LogWrapper(Object o) -> LogWrapper"""
484 return _IMP_isd._object_cast_to_LogWrapper(o)
486 _object_types.append(
"UniformPrior")
489 def _object_cast_to_UniformPrior(o):
490 r"""_object_cast_to_UniformPrior(Object o) -> UniformPrior"""
491 return _IMP_isd._object_cast_to_UniformPrior(o)
493 _object_types.append(
"JeffreysRestraint")
496 def _object_cast_to_JeffreysRestraint(o):
497 r"""_object_cast_to_JeffreysRestraint(Object o) -> JeffreysRestraint"""
498 return _IMP_isd._object_cast_to_JeffreysRestraint(o)
500 _object_types.append(
"NormalSigmaPCRestraint")
503 def _object_cast_to_NormalSigmaPCRestraint(o):
504 r"""_object_cast_to_NormalSigmaPCRestraint(Object o) -> NormalSigmaPCRestraint"""
505 return _IMP_isd._object_cast_to_NormalSigmaPCRestraint(o)
507 _object_types.append(
"vonMisesKappaJeffreysRestraint")
510 def _object_cast_to_vonMisesKappaJeffreysRestraint(o):
511 r"""_object_cast_to_vonMisesKappaJeffreysRestraint(Object o) -> vonMisesKappaJeffreysRestraint"""
512 return _IMP_isd._object_cast_to_vonMisesKappaJeffreysRestraint(o)
514 _object_types.append(
"vonMisesKappaConjugateRestraint")
517 def _object_cast_to_vonMisesKappaConjugateRestraint(o):
518 r"""_object_cast_to_vonMisesKappaConjugateRestraint(Object o) -> vonMisesKappaConjugateRestraint"""
519 return _IMP_isd._object_cast_to_vonMisesKappaConjugateRestraint(o)
521 _object_types.append(
"Distribution")
524 def _object_cast_to_Distribution(o):
525 r"""_object_cast_to_Distribution(Object o) -> Distribution"""
526 return _IMP_isd._object_cast_to_Distribution(o)
528 _object_types.append(
"OneDimensionalDistribution")
531 def _object_cast_to_OneDimensionalDistribution(o):
532 r"""_object_cast_to_OneDimensionalDistribution(Object o) -> OneDimensionalDistribution"""
533 return _IMP_isd._object_cast_to_OneDimensionalDistribution(o)
535 _object_types.append(
"OneDimensionalSufficientDistribution")
538 def _object_cast_to_OneDimensionalSufficientDistribution(o):
539 r"""_object_cast_to_OneDimensionalSufficientDistribution(Object o) -> OneDimensionalSufficientDistribution"""
540 return _IMP_isd._object_cast_to_OneDimensionalSufficientDistribution(o)
542 _object_types.append(
"FNormal")
545 def _object_cast_to_FNormal(o):
546 r"""_object_cast_to_FNormal(Object o) -> FNormal"""
547 return _IMP_isd._object_cast_to_FNormal(o)
549 _object_types.append(
"FStudentT")
552 def _object_cast_to_FStudentT(o):
553 r"""_object_cast_to_FStudentT(Object o) -> FStudentT"""
554 return _IMP_isd._object_cast_to_FStudentT(o)
556 _object_types.append(
"vonMises")
559 def _object_cast_to_vonMises(o):
560 r"""_object_cast_to_vonMises(Object o) -> vonMises"""
561 return _IMP_isd._object_cast_to_vonMises(o)
563 _object_types.append(
"vonMisesSufficient")
566 def _object_cast_to_vonMisesSufficient(o):
567 r"""_object_cast_to_vonMisesSufficient(Object o) -> vonMisesSufficient"""
568 return _IMP_isd._object_cast_to_vonMisesSufficient(o)
570 _object_types.append(
"PenalizedComplexityPrior")
573 def _object_cast_to_PenalizedComplexityPrior(o):
574 r"""_object_cast_to_PenalizedComplexityPrior(Object o) -> PenalizedComplexityPrior"""
575 return _IMP_isd._object_cast_to_PenalizedComplexityPrior(o)
578 return [Nuisance(x)
for x
in l]
579 _plural_types.append(
"Nuisances")
582 _value_types.append(
"Nuisance")
586 return [Scale(x)
for x
in l]
587 _plural_types.append(
"Scales")
590 _value_types.append(
"Scale")
593 def Switchings(l=[]):
594 return [Switching(x)
for x
in l]
595 _plural_types.append(
"Switchings")
598 _value_types.append(
"Switching")
601 _object_types.append(
"NOERestraint")
604 def _object_cast_to_NOERestraint(o):
605 r"""_object_cast_to_NOERestraint(Object o) -> NOERestraint"""
606 return _IMP_isd._object_cast_to_NOERestraint(o)
609 return [Weight(x)
for x
in l]
610 _plural_types.append(
"Weights")
613 _value_types.append(
"Weight")
616 _object_types.append(
"GaussianRestraint")
619 def _object_cast_to_GaussianRestraint(o):
620 r"""_object_cast_to_GaussianRestraint(Object o) -> GaussianRestraint"""
621 return _IMP_isd._object_cast_to_GaussianRestraint(o)
623 _object_types.append(
"StudentTRestraint")
626 def _object_cast_to_StudentTRestraint(o):
627 r"""_object_cast_to_StudentTRestraint(Object o) -> StudentTRestraint"""
628 return _IMP_isd._object_cast_to_StudentTRestraint(o)
630 _object_types.append(
"LognormalRestraint")
633 def _object_cast_to_LognormalRestraint(o):
634 r"""_object_cast_to_LognormalRestraint(Object o) -> LognormalRestraint"""
635 return _IMP_isd._object_cast_to_LognormalRestraint(o)
637 _object_types.append(
"LognormalAmbiguousRestraint")
640 def _object_cast_to_LognormalAmbiguousRestraint(o):
641 r"""_object_cast_to_LognormalAmbiguousRestraint(Object o) -> LognormalAmbiguousRestraint"""
642 return _IMP_isd._object_cast_to_LognormalAmbiguousRestraint(o)
644 _object_types.append(
"AmbiguousNOERestraint")
647 def _object_cast_to_AmbiguousNOERestraint(o):
648 r"""_object_cast_to_AmbiguousNOERestraint(Object o) -> AmbiguousNOERestraint"""
649 return _IMP_isd._object_cast_to_AmbiguousNOERestraint(o)
651 _object_types.append(
"MarginalNOERestraint")
654 def _object_cast_to_MarginalNOERestraint(o):
655 r"""_object_cast_to_MarginalNOERestraint(Object o) -> MarginalNOERestraint"""
656 return _IMP_isd._object_cast_to_MarginalNOERestraint(o)
658 _object_types.append(
"MarginalHBondRestraint")
661 def _object_cast_to_MarginalHBondRestraint(o):
662 r"""_object_cast_to_MarginalHBondRestraint(Object o) -> MarginalHBondRestraint"""
663 return _IMP_isd._object_cast_to_MarginalHBondRestraint(o)
665 _object_types.append(
"TALOSRestraint")
668 def _object_cast_to_TALOSRestraint(o):
669 r"""_object_cast_to_TALOSRestraint(Object o) -> TALOSRestraint"""
670 return _IMP_isd._object_cast_to_TALOSRestraint(o)
672 _object_types.append(
"RepulsiveDistancePairScore")
675 def _object_cast_to_RepulsiveDistancePairScore(o):
676 r"""_object_cast_to_RepulsiveDistancePairScore(Object o) -> RepulsiveDistancePairScore"""
677 return _IMP_isd._object_cast_to_RepulsiveDistancePairScore(o)
679 _object_types.append(
"AmbiguousRestraint")
682 def _object_cast_to_AmbiguousRestraint(o):
683 r"""_object_cast_to_AmbiguousRestraint(Object o) -> AmbiguousRestraint"""
684 return _IMP_isd._object_cast_to_AmbiguousRestraint(o)
686 _object_types.append(
"UnivariateFunction")
689 def _object_cast_to_UnivariateFunction(o):
690 r"""_object_cast_to_UnivariateFunction(Object o) -> UnivariateFunction"""
691 return _IMP_isd._object_cast_to_UnivariateFunction(o)
693 _object_types.append(
"Linear1DFunction")
696 def _object_cast_to_Linear1DFunction(o):
697 r"""_object_cast_to_Linear1DFunction(Object o) -> Linear1DFunction"""
698 return _IMP_isd._object_cast_to_Linear1DFunction(o)
700 _object_types.append(
"GeneralizedGuinierPorodFunction")
703 def _object_cast_to_GeneralizedGuinierPorodFunction(o):
704 r"""_object_cast_to_GeneralizedGuinierPorodFunction(Object o) -> GeneralizedGuinierPorodFunction"""
705 return _IMP_isd._object_cast_to_GeneralizedGuinierPorodFunction(o)
707 _object_types.append(
"BivariateFunction")
710 def _object_cast_to_BivariateFunction(o):
711 r"""_object_cast_to_BivariateFunction(Object o) -> BivariateFunction"""
712 return _IMP_isd._object_cast_to_BivariateFunction(o)
714 _object_types.append(
"Covariance1DFunction")
717 def _object_cast_to_Covariance1DFunction(o):
718 r"""_object_cast_to_Covariance1DFunction(Object o) -> Covariance1DFunction"""
719 return _IMP_isd._object_cast_to_Covariance1DFunction(o)
721 _object_types.append(
"GaussianProcessInterpolation")
724 def _object_cast_to_GaussianProcessInterpolation(o):
725 r"""_object_cast_to_GaussianProcessInterpolation(Object o) -> GaussianProcessInterpolation"""
726 return _IMP_isd._object_cast_to_GaussianProcessInterpolation(o)
728 _object_types.append(
"GaussianProcessInterpolationRestraint")
731 def _object_cast_to_GaussianProcessInterpolationRestraint(o):
732 r"""_object_cast_to_GaussianProcessInterpolationRestraint(Object o) -> GaussianProcessInterpolationRestraint"""
733 return _IMP_isd._object_cast_to_GaussianProcessInterpolationRestraint(o)
735 _object_types.append(
"MolecularDynamics")
738 _object_types.append(
"MolecularDynamicsMover")
741 def _object_cast_to_MolecularDynamicsMover(o):
742 r"""_object_cast_to_MolecularDynamicsMover(Object o) -> MolecularDynamicsMover"""
743 return _IMP_isd._object_cast_to_MolecularDynamicsMover(o)
745 _object_types.append(
"HybridMonteCarlo")
748 def _object_cast_to_HybridMonteCarlo(o):
749 r"""_object_cast_to_HybridMonteCarlo(Object o) -> HybridMonteCarlo"""
750 return _IMP_isd._object_cast_to_HybridMonteCarlo(o)
752 _object_types.append(
"FretData")
755 def _object_cast_to_FretData(o):
756 r"""_object_cast_to_FretData(Object o) -> FretData"""
757 return _IMP_isd._object_cast_to_FretData(o)
759 _object_types.append(
"FretRestraint")
762 def _object_cast_to_FretRestraint(o):
763 r"""_object_cast_to_FretRestraint(Object o) -> FretRestraint"""
764 return _IMP_isd._object_cast_to_FretRestraint(o)
766 _object_types.append(
"CrossLinkData")
769 def _object_cast_to_CrossLinkData(o):
770 r"""_object_cast_to_CrossLinkData(Object o) -> CrossLinkData"""
771 return _IMP_isd._object_cast_to_CrossLinkData(o)
773 _object_types.append(
"CysteineCrossLinkData")
776 def _object_cast_to_CysteineCrossLinkData(o):
777 r"""_object_cast_to_CysteineCrossLinkData(Object o) -> CysteineCrossLinkData"""
778 return _IMP_isd._object_cast_to_CysteineCrossLinkData(o)
780 _object_types.append(
"CysteineCrossLinkRestraint")
783 def _object_cast_to_CysteineCrossLinkRestraint(o):
784 r"""_object_cast_to_CysteineCrossLinkRestraint(Object o) -> CysteineCrossLinkRestraint"""
785 return _IMP_isd._object_cast_to_CysteineCrossLinkRestraint(o)
787 _object_types.append(
"WeightMover")
790 def _object_cast_to_WeightMover(o):
791 r"""_object_cast_to_WeightMover(Object o) -> WeightMover"""
792 return _IMP_isd._object_cast_to_WeightMover(o)
794 _object_types.append(
"WeightRestraint")
797 def _object_cast_to_WeightRestraint(o):
798 r"""_object_cast_to_WeightRestraint(Object o) -> WeightRestraint"""
799 return _IMP_isd._object_cast_to_WeightRestraint(o)
801 _object_types.append(
"AtomicCrossLinkMSRestraint")
804 def _object_cast_to_AtomicCrossLinkMSRestraint(o):
805 r"""_object_cast_to_AtomicCrossLinkMSRestraint(Object o) -> AtomicCrossLinkMSRestraint"""
806 return _IMP_isd._object_cast_to_AtomicCrossLinkMSRestraint(o)
808 _object_types.append(
"GaussianEMRestraint")
811 def _object_cast_to_GaussianEMRestraint(o):
812 r"""_object_cast_to_GaussianEMRestraint(Object o) -> GaussianEMRestraint"""
813 return _IMP_isd._object_cast_to_GaussianEMRestraint(o)
815 _object_types.append(
"GaussianAnchorEMRestraint")
818 def _object_cast_to_GaussianAnchorEMRestraint(o):
819 r"""_object_cast_to_GaussianAnchorEMRestraint(Object o) -> GaussianAnchorEMRestraint"""
820 return _IMP_isd._object_cast_to_GaussianAnchorEMRestraint(o)
822 _object_types.append(
"GammaPrior")
825 def _object_cast_to_GammaPrior(o):
826 r"""_object_cast_to_GammaPrior(Object o) -> GammaPrior"""
827 return _IMP_isd._object_cast_to_GammaPrior(o)
829 _object_types.append(
"ResidueProteinProximityRestraint")
832 def _object_cast_to_ResidueProteinProximityRestraint(o):
833 r"""_object_cast_to_ResidueProteinProximityRestraint(Object o) -> ResidueProteinProximityRestraint"""
834 return _IMP_isd._object_cast_to_ResidueProteinProximityRestraint(o)
836 def create_model_and_particles():
840 IMP.algebra.Vector3D(10,10,10))
841 for i
in range(0,100):
845 d.set_coordinates_are_optimized(
True)
849 r"""Proxy of C++ IMP::isd::ISDRestraint class."""
851 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
853 def __init__(self, m, name):
854 r"""__init__(ISDRestraint self, Model m, std::string name) -> ISDRestraint"""
855 if self.__class__ == ISDRestraint:
859 _IMP_isd.ISDRestraint_swiginit(self, _IMP_isd.new_ISDRestraint(_self, m, name))
861 if self.__class__ != ISDRestraint:
862 _director_objects.register(self)
867 def get_probability(self):
868 r"""get_probability(ISDRestraint self) -> double"""
869 return _IMP_isd.ISDRestraint_get_probability(self)
871 def unprotected_evaluate(self, accum):
872 r"""unprotected_evaluate(ISDRestraint self, DerivativeAccumulator accum) -> double"""
873 return _IMP_isd.ISDRestraint_unprotected_evaluate(self, accum)
876 r"""do_get_inputs(ISDRestraint self) -> IMP::ModelObjectsTemp"""
877 return _IMP_isd.ISDRestraint_do_get_inputs(self)
879 def get_type_name(self):
880 r"""get_type_name(ISDRestraint self) -> std::string"""
881 return _IMP_isd.ISDRestraint_get_type_name(self)
884 r"""get_version_info(ISDRestraint self) -> VersionInfo"""
885 return _IMP_isd.ISDRestraint_get_version_info(self)
886 __swig_destroy__ = _IMP_isd.delete_ISDRestraint
889 r"""__str__(ISDRestraint self) -> std::string"""
890 return _IMP_isd.ISDRestraint___str__(self)
893 r"""__repr__(ISDRestraint self) -> std::string"""
894 return _IMP_isd.ISDRestraint___repr__(self)
898 return _object_cast_to_ISDRestraint(o)
901 def do_show(self, out):
906 return _object_cast_to_ISDRestraint(o)
908 def __disown__(self):
910 _IMP_isd.disown_ISDRestraint(self)
911 return weakref.proxy(self)
914 r"""do_destroy(ISDRestraint self)"""
915 return _IMP_isd.ISDRestraint_do_destroy(self)
917 def handle_set_has_required_score_states(self, arg0):
918 r"""handle_set_has_required_score_states(ISDRestraint self, bool arg0)"""
919 return _IMP_isd.ISDRestraint_handle_set_has_required_score_states(self, arg0)
922 r"""do_get_outputs(ISDRestraint self) -> IMP::ModelObjectsTemp"""
923 return _IMP_isd.ISDRestraint_do_get_outputs(self)
925 def do_get_interactions(self):
926 r"""do_get_interactions(ISDRestraint self) -> IMP::ModelObjectsTemps"""
927 return _IMP_isd.ISDRestraint_do_get_interactions(self)
929 def do_create_decomposition(self):
930 r"""do_create_decomposition(ISDRestraint self) -> IMP::Restraints"""
931 return _IMP_isd.ISDRestraint_do_create_decomposition(self)
933 def do_create_current_decomposition(self):
934 r"""do_create_current_decomposition(ISDRestraint self) -> IMP::Restraints"""
935 return _IMP_isd.ISDRestraint_do_create_current_decomposition(self)
937 def do_add_score_and_derivatives(self, sa):
938 r"""do_add_score_and_derivatives(ISDRestraint self, ScoreAccumulator sa)"""
939 return _IMP_isd.ISDRestraint_do_add_score_and_derivatives(self, sa)
941 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
942 r"""do_add_score_and_derivatives_moved(ISDRestraint self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
943 return _IMP_isd.ISDRestraint_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
946 _IMP_isd.ISDRestraint_swigregister(ISDRestraint)
948 r"""Proxy of C++ IMP::isd::CrossLinkMSRestraint class."""
950 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
952 def __init__(self, *args):
954 __init__(CrossLinkMSRestraint self, Model m, double length, bool get_log_prob=False, std::string name="CrossLinkMSRestraint%1%") -> CrossLinkMSRestraint
955 __init__(CrossLinkMSRestraint self, Model m, _ParticleIndexAdaptor lengthi, bool get_log_prob=False, std::string name="CrossLinkMSRestraint%1%") -> CrossLinkMSRestraint
956 __init__(CrossLinkMSRestraint self, Model m, double length, double slope, bool get_log_prob=False, std::string name="CrossLinkMSRestraint%1%") -> CrossLinkMSRestraint
957 __init__(CrossLinkMSRestraint self) -> CrossLinkMSRestraint
959 _IMP_isd.CrossLinkMSRestraint_swiginit(self, _IMP_isd.new_CrossLinkMSRestraint(*args))
961 def set_source_protein1(self, protein1):
962 r"""set_source_protein1(CrossLinkMSRestraint self, std::string protein1)"""
963 return _IMP_isd.CrossLinkMSRestraint_set_source_protein1(self, protein1)
965 def get_source_protein1(self):
966 r"""get_source_protein1(CrossLinkMSRestraint self) -> std::string"""
967 return _IMP_isd.CrossLinkMSRestraint_get_source_protein1(self)
969 def set_source_protein2(self, protein2):
970 r"""set_source_protein2(CrossLinkMSRestraint self, std::string protein2)"""
971 return _IMP_isd.CrossLinkMSRestraint_set_source_protein2(self, protein2)
973 def get_source_protein2(self):
974 r"""get_source_protein2(CrossLinkMSRestraint self) -> std::string"""
975 return _IMP_isd.CrossLinkMSRestraint_get_source_protein2(self)
977 def set_source_residue1(self, residue1):
978 r"""set_source_residue1(CrossLinkMSRestraint self, int residue1)"""
979 return _IMP_isd.CrossLinkMSRestraint_set_source_residue1(self, residue1)
981 def get_source_residue1(self):
982 r"""get_source_residue1(CrossLinkMSRestraint self) -> int"""
983 return _IMP_isd.CrossLinkMSRestraint_get_source_residue1(self)
985 def set_source_residue2(self, residue2):
986 r"""set_source_residue2(CrossLinkMSRestraint self, int residue2)"""
987 return _IMP_isd.CrossLinkMSRestraint_set_source_residue2(self, residue2)
989 def get_source_residue2(self):
990 r"""get_source_residue2(CrossLinkMSRestraint self) -> int"""
991 return _IMP_isd.CrossLinkMSRestraint_get_source_residue2(self)
993 def add_contribution(self, pps, sigmas, psi):
994 r"""add_contribution(CrossLinkMSRestraint self, IMP::ParticleIndexPair const & pps, IMP::ParticleIndexPair const & sigmas, ParticleIndex psi)"""
995 return _IMP_isd.CrossLinkMSRestraint_add_contribution(self, pps, sigmas, psi)
997 def get_probability(self):
998 r"""get_probability(CrossLinkMSRestraint self) -> double"""
999 return _IMP_isd.CrossLinkMSRestraint_get_probability(self)
1001 def get_length(self):
1002 r"""get_length(CrossLinkMSRestraint self) -> double"""
1003 return _IMP_isd.CrossLinkMSRestraint_get_length(self)
1005 def get_is_length_variable(self):
1006 r"""get_is_length_variable(CrossLinkMSRestraint self) -> bool"""
1007 return _IMP_isd.CrossLinkMSRestraint_get_is_length_variable(self)
1009 def get_has_slope(self):
1010 r"""get_has_slope(CrossLinkMSRestraint self) -> bool"""
1011 return _IMP_isd.CrossLinkMSRestraint_get_has_slope(self)
1013 def get_slope(self):
1014 r"""get_slope(CrossLinkMSRestraint self) -> double"""
1015 return _IMP_isd.CrossLinkMSRestraint_get_slope(self)
1017 def get_log_prob(self):
1018 r"""get_log_prob(CrossLinkMSRestraint self) -> bool"""
1019 return _IMP_isd.CrossLinkMSRestraint_get_log_prob(self)
1021 def get_contribution_sigma_indexes(self, i):
1022 r"""get_contribution_sigma_indexes(CrossLinkMSRestraint self, int i) -> IMP::ParticleIndexPair"""
1023 return _IMP_isd.CrossLinkMSRestraint_get_contribution_sigma_indexes(self, i)
1025 def get_contribution_psi_index(self, i):
1026 r"""get_contribution_psi_index(CrossLinkMSRestraint self, int i) -> ParticleIndex"""
1027 return _IMP_isd.CrossLinkMSRestraint_get_contribution_psi_index(self, i)
1029 def get_contribution_particle_indexes(self, i):
1030 r"""get_contribution_particle_indexes(CrossLinkMSRestraint self, int i) -> IMP::ParticleIndexPair"""
1031 return _IMP_isd.CrossLinkMSRestraint_get_contribution_particle_indexes(self, i)
1033 def get_number_of_contributions(self):
1034 r"""get_number_of_contributions(CrossLinkMSRestraint self) -> unsigned int"""
1035 return _IMP_isd.CrossLinkMSRestraint_get_number_of_contributions(self)
1038 r"""do_get_inputs(CrossLinkMSRestraint self) -> IMP::ModelObjectsTemp"""
1039 return _IMP_isd.CrossLinkMSRestraint_do_get_inputs(self)
1042 r"""get_version_info(CrossLinkMSRestraint self) -> VersionInfo"""
1043 return _IMP_isd.CrossLinkMSRestraint_get_version_info(self)
1044 __swig_destroy__ = _IMP_isd.delete_CrossLinkMSRestraint
1047 r"""__str__(CrossLinkMSRestraint self) -> std::string"""
1048 return _IMP_isd.CrossLinkMSRestraint___str__(self)
1051 r"""__repr__(CrossLinkMSRestraint self) -> std::string"""
1052 return _IMP_isd.CrossLinkMSRestraint___repr__(self)
1056 return _object_cast_to_CrossLinkMSRestraint(o)
1059 def _get_as_binary(self):
1060 r"""_get_as_binary(CrossLinkMSRestraint self) -> PyObject *"""
1061 return _IMP_isd.CrossLinkMSRestraint__get_as_binary(self)
1063 def _set_from_binary(self, p):
1064 r"""_set_from_binary(CrossLinkMSRestraint self, PyObject * p)"""
1065 return _IMP_isd.CrossLinkMSRestraint__set_from_binary(self, p)
1067 def __getstate__(self):
1068 p = self._get_as_binary()
1069 if len(self.__dict__) > 1:
1070 d = self.__dict__.copy()
1075 def __setstate__(self, p):
1076 if not hasattr(self,
'this'):
1078 if isinstance(p, tuple):
1080 self.__dict__.update(d)
1081 return self._set_from_binary(p)
1084 def _get_contributions_sigma_numpy(self):
1086 n = self.get_number_of_contributions()
1087 ret = numpy.empty((n, 2), int)
1089 ret[i] = self.get_contribution_sigma_indexes(i)
1092 def _get_contributions_psi_numpy(self):
1094 n = self.get_number_of_contributions()
1095 ret = numpy.empty(n, int)
1097 ret[i] = self.get_contribution_psi_index(i)
1100 def _get_contributions_particles_numpy(self):
1102 n = self.get_number_of_contributions()
1103 ret = numpy.empty((n, 2), int)
1105 ret[i] = self.get_contribution_particle_indexes(i)
1110 import jax.numpy
as jnp
1113 def sphere_cap(r1, r2, d):
1114 def short_range(r1, r2, d):
1115 return jax.lax.min(4.0 / 3.0 * math.pi * r1 * r1 * r1,
1116 4.0 / 3.0 * math.pi * r2 * r2 * r2)
1117 def mid_range(r1, r2, d):
1118 return ((math.pi / 12 / d * (r1 + r2 - d) * (r1 + r2 - d)) *
1119 (d * d + 2 * d * r1 - 3 * r1 * r1 + 2 * d * r2
1120 + 6 * r1 * r2 - 3 * r2 * r2))
1121 def long_range(r1, r2, d):
1122 return jax.lax.cond(d >= r1 + r2,
lambda a,b,c: 0.,
1123 mid_range, r1, r2, d)
1124 return jax.lax.cond(
1125 d <= jnp.absolute(r1 - r2), short_range,
1126 long_range, r1, r2, d)
1128 def get_probability(xyz, r, scale, ps, ncontrib, sigma, psi, length,
1130 def short_range(length, dist, sigmai, sigmaj, voli, volj):
1131 xlvol = (4.0 / 3.0 * math.pi * (length / 2.)
1132 * (length / 2.) * (length / 2.))
1133 return jax.lax.min(voli, xlvol), jax.lax.min(volj, xlvol)
1135 def long_range(length, dist, sigmai, sigmaj, voli, volj):
1136 di = dist - sigmaj - length / 2.
1137 dj = dist - sigmai - length / 2.
1138 return (sphere_cap(sigmai, length / 2., abs(di)),
1139 sphere_cap(sigmaj, length / 2., abs(dj)))
1141 def dist_diff(xyz, r, ps, k):
1142 return jnp.linalg.norm(xyz[ps[k, 0]] - xyz[ps[k, 1]])
1144 def dist_same(xyz, r, ps, k):
1149 return 36.0 / 35.0 * r[ps[k, 0]];
1152 for k
in range(ncontrib):
1153 dist = jax.lax.cond(ps[k, 0] == ps[k, 1], dist_same,
1154 dist_diff, xyz, r, ps, k)
1155 dist = jax.lax.max(dist, 0.0001)
1156 psik = scale[psi[k]]
1157 sigmai = scale[sigma[k, 0]]
1158 sigmaj = scale[sigma[k, 1]]
1160 voli = 4.0 / 3.0 * math.pi * sigmai * sigmai * sigmai
1161 volj = 4.0 / 3.0 * math.pi * sigmaj * sigmaj * sigmaj
1163 fi, fj = jax.lax.cond(dist < sigmai + sigmaj,
1164 short_range, long_range, length,
1165 dist, sigmai, sigmaj, voli, volj)
1167 pofr = fi * fj / voli / volj
1168 if slope
is not None:
1169 prior = jnp.exp(-slope * dist)
1170 onemprob = onemprob * (1.0 - (psik * (1.0 - pofr)
1171 + pofr * (1 - psik)) * prior)
1173 onemprob = onemprob * (1.0 - (psik * (1.0 - pofr)
1174 + pofr * (1 - psik)))
1175 return 1.0 - onemprob
1177 if self.get_is_length_variable():
1178 raise NotImplementedError(
"Only implemented for fixed-length")
1179 sigma = self._get_contributions_sigma_numpy()
1180 psi = self._get_contributions_psi_numpy()
1181 pis = self._get_contributions_particles_numpy()
1182 get_log_prob = self.get_log_prob()
1183 length = self.get_length()
1184 ncontrib = len(sigma)
1185 slope = self.get_slope()
if self.get_has_slope()
else None
1187 def jax_restraint(X):
1188 prob = get_probability(X[
'xyz'], X[
'r'], X['nuisance'], pis,
1189 ncontrib, sigma, psi, length, slope)
1191 return -jnp.log(prob)
1195 return self._wrap_jax(jax_restraint,
1198 def _get_python_evaluate(self):
1199 from numba
import njit
1204 def sphere_cap(r1, r2, d):
1206 if d <= max(r1, r2) - min(r1, r2):
1207 sc = min(4.0 / 3.0 * math.pi * r1 * r1 * r1,
1208 4.0 / 3.0 * math.pi * r2 * r2 * r2)
1212 sc = ((math.pi / 12 / d * (r1 + r2 - d) * (r1 + r2 - d)) *
1213 (d * d + 2 * d * r1 - 3 * r1 * r1 + 2 * d * r2
1214 + 6 * r1 * r2 - 3 * r2 * r2))
1218 def get_probability(xyz, scale, ps, ncontrib, sigma, psi, length,
1221 for k
in range(ncontrib):
1222 dist = numpy.linalg.norm(xyz[ps[k, 0]] - xyz[ps[k, 1]])
1225 psik = scale[psi[k]]
1226 sigmai = scale[sigma[k, 0]]
1227 sigmaj = scale[sigma[k, 1]]
1229 voli = 4.0 / 3.0 * math.pi * sigmai * sigmai * sigmai
1230 volj = 4.0 / 3.0 * math.pi * sigmaj * sigmaj * sigmaj
1232 if dist < sigmai + sigmaj:
1233 xlvol = (4.0 / 3.0 * math.pi * (length / 2.)
1234 * (length / 2.) * (length / 2))
1235 fi = min(voli, xlvol)
1236 fj = min(volj, xlvol)
1238 di = dist - sigmaj - length / 2.
1239 dj = dist - sigmai - length / 2.
1240 fi = sphere_cap(sigmai, length / 2., abs(di))
1241 fj = sphere_cap(sigmaj, length / 2., abs(dj))
1243 pofr = fi * fj / voli / volj
1244 if slope
is not None:
1245 prior = math.exp(slope * dist)
1246 onemprob = onemprob * (1.0 - (psik * (1.0 - pofr)
1247 + pofr * (1 - psik)) * prior)
1249 onemprob = onemprob * (1.0 - (psik * (1.0 - pofr)
1250 + pofr * (1 - psik)))
1251 return 1.0 - onemprob
1253 if self.get_is_length_variable():
1254 raise NotImplementedError(
"Only implemented for fixed-length")
1255 m = self.get_model()
1256 xyz, radius = m.get_spheres_numpy()
1258 sigma = self._get_contributions_sigma_numpy()
1259 psi = self._get_contributions_psi_numpy()
1260 pis = self._get_contributions_particles_numpy()
1261 get_log_prob = self.get_log_prob()
1262 length = self.get_length()
1263 ncontrib = len(sigma)
1264 slope = self.get_slope()
if self.get_has_slope()
else None
1268 prob = get_probability(xyz, scale, pis, ncontrib, sigma, psi,
1271 return -math.log(prob)
1279 _IMP_isd.CrossLinkMSRestraint_swigregister(CrossLinkMSRestraint)
1281 r"""Proxy of C++ IMP::isd::LogWrapper class."""
1283 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1285 def __init__(self, *args):
1287 __init__(LogWrapper self, Model m, double weight, std::string const & name="LogWrapper %1%") -> LogWrapper
1288 __init__(LogWrapper self, Model m, std::string const & name="LogWrapper %1%") -> LogWrapper
1289 __init__(LogWrapper self, IMP::RestraintsTemp const & rs, double weight, std::string const & name="LogWrapper %1%") -> LogWrapper
1290 __init__(LogWrapper self) -> LogWrapper
1292 _IMP_isd.LogWrapper_swiginit(self, _IMP_isd.new_LogWrapper(*args))
1294 def do_add_score_and_derivatives(self, sa):
1295 r"""do_add_score_and_derivatives(LogWrapper self, ScoreAccumulator sa)"""
1296 return _IMP_isd.LogWrapper_do_add_score_and_derivatives(self, sa)
1298 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
1299 r"""do_add_score_and_derivatives_moved(LogWrapper self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
1300 return _IMP_isd.LogWrapper_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
1301 __swig_destroy__ = _IMP_isd.delete_LogWrapper
1304 r"""__str__(LogWrapper self) -> std::string"""
1305 return _IMP_isd.LogWrapper___str__(self)
1308 r"""__repr__(LogWrapper self) -> std::string"""
1309 return _IMP_isd.LogWrapper___repr__(self)
1313 return _object_cast_to_LogWrapper(o)
1316 def _get_as_binary(self):
1317 r"""_get_as_binary(LogWrapper self) -> PyObject *"""
1318 return _IMP_isd.LogWrapper__get_as_binary(self)
1320 def _set_from_binary(self, p):
1321 r"""_set_from_binary(LogWrapper self, PyObject * p)"""
1322 return _IMP_isd.LogWrapper__set_from_binary(self, p)
1324 def __getstate__(self):
1325 p = self._get_as_binary()
1326 if len(self.__dict__) > 1:
1327 d = self.__dict__.copy()
1332 def __setstate__(self, p):
1333 if not hasattr(self,
'this'):
1335 if isinstance(p, tuple):
1337 self.__dict__.update(d)
1338 return self._set_from_binary(p)
1342 _IMP_isd.LogWrapper_swigregister(LogWrapper)
1344 r"""Proxy of C++ IMP::isd::UniformPrior class."""
1346 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1348 def __init__(self, *args):
1350 __init__(UniformPrior self, Model m, Particle p, double k, double upperb, double lowerb, std::string name="UniformPrior%1%") -> UniformPrior
1351 __init__(UniformPrior self) -> UniformPrior
1353 _IMP_isd.UniformPrior_swiginit(self, _IMP_isd.new_UniformPrior(*args))
1356 r"""do_get_inputs(UniformPrior self) -> IMP::ModelObjectsTemp"""
1357 return _IMP_isd.UniformPrior_do_get_inputs(self)
1360 r"""get_version_info(UniformPrior self) -> VersionInfo"""
1361 return _IMP_isd.UniformPrior_get_version_info(self)
1362 __swig_destroy__ = _IMP_isd.delete_UniformPrior
1364 def get_probability(self):
1365 r"""get_probability(UniformPrior self) -> double"""
1366 return _IMP_isd.UniformPrior_get_probability(self)
1369 r"""__str__(UniformPrior self) -> std::string"""
1370 return _IMP_isd.UniformPrior___str__(self)
1373 r"""__repr__(UniformPrior self) -> std::string"""
1374 return _IMP_isd.UniformPrior___repr__(self)
1378 return _object_cast_to_UniformPrior(o)
1381 def _get_as_binary(self):
1382 r"""_get_as_binary(UniformPrior self) -> PyObject *"""
1383 return _IMP_isd.UniformPrior__get_as_binary(self)
1385 def _set_from_binary(self, p):
1386 r"""_set_from_binary(UniformPrior self, PyObject * p)"""
1387 return _IMP_isd.UniformPrior__set_from_binary(self, p)
1389 def __getstate__(self):
1390 p = self._get_as_binary()
1391 if len(self.__dict__) > 1:
1392 d = self.__dict__.copy()
1397 def __setstate__(self, p):
1398 if not hasattr(self,
'this'):
1400 if isinstance(p, tuple):
1402 self.__dict__.update(d)
1403 return self._set_from_binary(p)
1407 _IMP_isd.UniformPrior_swigregister(UniformPrior)
1409 r"""Proxy of C++ IMP::isd::Nuisance class."""
1411 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1413 def __init__(self, *args):
1415 __init__(Nuisance self) -> Nuisance
1416 __init__(Nuisance self, Model m, ParticleIndex id) -> Nuisance
1417 __init__(Nuisance self, _ParticleAdaptor d) -> Nuisance
1419 _IMP_isd.Nuisance_swiginit(self, _IMP_isd.new_Nuisance(*args))
1421 def show(self, *args):
1422 r"""show(Nuisance self, _ostream out=std::cout)"""
1423 return _IMP_isd.Nuisance_show(self, *args)
1426 def setup_particle(*args):
1428 setup_particle(Model m, ParticleIndex pi) -> Nuisance
1429 setup_particle(_ParticleAdaptor pa) -> Nuisance
1430 setup_particle(Model m, ParticleIndex pi, double nuisance) -> Nuisance
1431 setup_particle(_ParticleAdaptor pa, double nuisance) -> Nuisance
1433 return _IMP_isd.Nuisance_setup_particle(*args)
1436 def get_is_setup(*args):
1438 get_is_setup(_ParticleAdaptor p) -> bool
1439 get_is_setup(Model m, ParticleIndex pi) -> bool
1441 return _IMP_isd.Nuisance_get_is_setup(*args)
1444 def get_nuisance_key():
1445 r"""get_nuisance_key() -> FloatKey"""
1446 return _IMP_isd.Nuisance_get_nuisance_key()
1448 def get_nuisance(self):
1449 r"""get_nuisance(Nuisance self) -> IMP::Float"""
1450 return _IMP_isd.Nuisance_get_nuisance(self)
1452 def set_nuisance(self, d):
1453 r"""set_nuisance(Nuisance self, IMP::Float d)"""
1454 return _IMP_isd.Nuisance_set_nuisance(self, d)
1456 def get_has_lower(self):
1457 r"""get_has_lower(Nuisance self) -> bool"""
1458 return _IMP_isd.Nuisance_get_has_lower(self)
1460 def get_lower(self):
1461 r"""get_lower(Nuisance self) -> IMP::Float"""
1462 return _IMP_isd.Nuisance_get_lower(self)
1465 def get_lower_key():
1466 r"""get_lower_key() -> FloatKey"""
1467 return _IMP_isd.Nuisance_get_lower_key()
1470 def get_lower_particle_key():
1471 r"""get_lower_particle_key() -> ParticleIndexKey"""
1472 return _IMP_isd.Nuisance_get_lower_particle_key()
1474 def set_lower(self, *args):
1476 set_lower(Nuisance self, IMP::Float d)
1477 set_lower(Nuisance self, Particle d)
1479 return _IMP_isd.Nuisance_set_lower(self, *args)
1481 def remove_lower(self):
1482 r"""remove_lower(Nuisance self)"""
1483 return _IMP_isd.Nuisance_remove_lower(self)
1485 def get_has_upper(self):
1486 r"""get_has_upper(Nuisance self) -> bool"""
1487 return _IMP_isd.Nuisance_get_has_upper(self)
1489 def get_upper(self):
1490 r"""get_upper(Nuisance self) -> IMP::Float"""
1491 return _IMP_isd.Nuisance_get_upper(self)
1494 def get_upper_key():
1495 r"""get_upper_key() -> FloatKey"""
1496 return _IMP_isd.Nuisance_get_upper_key()
1499 def get_upper_particle_key():
1500 r"""get_upper_particle_key() -> ParticleIndexKey"""
1501 return _IMP_isd.Nuisance_get_upper_particle_key()
1503 def set_upper(self, *args):
1505 set_upper(Nuisance self, IMP::Float d)
1506 set_upper(Nuisance self, Particle d)
1508 return _IMP_isd.Nuisance_set_upper(self, *args)
1510 def remove_upper(self):
1511 r"""remove_upper(Nuisance self)"""
1512 return _IMP_isd.Nuisance_remove_upper(self)
1514 def get_nuisance_derivative(self):
1515 r"""get_nuisance_derivative(Nuisance self) -> IMP::Float"""
1516 return _IMP_isd.Nuisance_get_nuisance_derivative(self)
1518 def add_to_nuisance_derivative(self, d, accum):
1519 r"""add_to_nuisance_derivative(Nuisance self, IMP::Float d, DerivativeAccumulator accum)"""
1520 return _IMP_isd.Nuisance_add_to_nuisance_derivative(self, d, accum)
1522 def get_nuisance_is_optimized(self):
1523 r"""get_nuisance_is_optimized(Nuisance self) -> bool"""
1524 return _IMP_isd.Nuisance_get_nuisance_is_optimized(self)
1526 def set_nuisance_is_optimized(self, val):
1527 r"""set_nuisance_is_optimized(Nuisance self, bool val)"""
1528 return _IMP_isd.Nuisance_set_nuisance_is_optimized(self, val)
1530 def add_attribute(self, *args):
1532 add_attribute(Nuisance self, FloatKey k, IMP::Float v, bool opt)
1533 add_attribute(Nuisance self, FloatKey a0, IMP::Float a1)
1534 add_attribute(Nuisance self, IntKey a0, IMP::Int a1)
1535 add_attribute(Nuisance self, FloatsKey a0, IMP::Floats a1)
1536 add_attribute(Nuisance self, IntsKey a0, IMP::Ints a1)
1537 add_attribute(Nuisance self, StringKey a0, IMP::String a1)
1538 add_attribute(Nuisance self, ParticleIndexKey a0, Particle a1)
1539 add_attribute(Nuisance self, ObjectKey a0, Object a1)
1540 add_attribute(Nuisance self, SparseFloatKey a0, IMP::Float a1)
1541 add_attribute(Nuisance self, SparseIntKey a0, IMP::Int a1)
1542 add_attribute(Nuisance self, SparseStringKey a0, IMP::String a1)
1543 add_attribute(Nuisance self, SparseParticleIndexKey a0, ParticleIndex a1)
1545 return _IMP_isd.Nuisance_add_attribute(self, *args)
1547 def get_value(self, *args):
1549 get_value(Nuisance self, FloatKey a0) -> IMP::Float
1550 get_value(Nuisance self, IntKey a0) -> IMP::Int
1551 get_value(Nuisance self, FloatsKey a0) -> IMP::Floats
1552 get_value(Nuisance self, IntsKey a0) -> IMP::Ints
1553 get_value(Nuisance self, StringKey a0) -> IMP::String
1554 get_value(Nuisance self, ParticleIndexKey a0) -> Particle
1555 get_value(Nuisance self, ObjectKey a0) -> Object
1556 get_value(Nuisance self, SparseFloatKey a0) -> IMP::Float
1557 get_value(Nuisance self, SparseIntKey a0) -> IMP::Int
1558 get_value(Nuisance self, SparseStringKey a0) -> IMP::String
1559 get_value(Nuisance self, SparseParticleIndexKey a0) -> ParticleIndex
1561 return _IMP_isd.Nuisance_get_value(self, *args)
1563 def set_value(self, *args):
1565 set_value(Nuisance self, FloatKey a0, IMP::Float a1)
1566 set_value(Nuisance self, IntKey a0, IMP::Int a1)
1567 set_value(Nuisance self, FloatsKey a0, IMP::Floats a1)
1568 set_value(Nuisance self, IntsKey a0, IMP::Ints a1)
1569 set_value(Nuisance self, StringKey a0, IMP::String a1)
1570 set_value(Nuisance self, ParticleIndexKey a0, Particle a1)
1571 set_value(Nuisance self, ObjectKey a0, Object a1)
1572 set_value(Nuisance self, SparseFloatKey a0, IMP::Float a1)
1573 set_value(Nuisance self, SparseIntKey a0, IMP::Int a1)
1574 set_value(Nuisance self, SparseStringKey a0, IMP::String a1)
1575 set_value(Nuisance self, SparseParticleIndexKey a0, ParticleIndex a1)
1577 return _IMP_isd.Nuisance_set_value(self, *args)
1579 def remove_attribute(self, *args):
1581 remove_attribute(Nuisance self, FloatKey a0)
1582 remove_attribute(Nuisance self, IntKey a0)
1583 remove_attribute(Nuisance self, FloatsKey a0)
1584 remove_attribute(Nuisance self, IntsKey a0)
1585 remove_attribute(Nuisance self, StringKey a0)
1586 remove_attribute(Nuisance self, ParticleIndexKey a0)
1587 remove_attribute(Nuisance self, ObjectKey a0)
1588 remove_attribute(Nuisance self, SparseFloatKey a0)
1589 remove_attribute(Nuisance self, SparseIntKey a0)
1590 remove_attribute(Nuisance self, SparseStringKey a0)
1591 remove_attribute(Nuisance self, SparseParticleIndexKey a0)
1593 return _IMP_isd.Nuisance_remove_attribute(self, *args)
1595 def has_attribute(self, *args):
1597 has_attribute(Nuisance self, FloatKey a0) -> bool
1598 has_attribute(Nuisance self, IntKey a0) -> bool
1599 has_attribute(Nuisance self, FloatsKey a0) -> bool
1600 has_attribute(Nuisance self, IntsKey a0) -> bool
1601 has_attribute(Nuisance self, StringKey a0) -> bool
1602 has_attribute(Nuisance self, ParticleIndexKey a0) -> bool
1603 has_attribute(Nuisance self, ObjectKey a0) -> bool
1604 has_attribute(Nuisance self, SparseFloatKey a0) -> bool
1605 has_attribute(Nuisance self, SparseIntKey a0) -> bool
1606 has_attribute(Nuisance self, SparseStringKey a0) -> bool
1607 has_attribute(Nuisance self, SparseParticleIndexKey a0) -> bool
1609 return _IMP_isd.Nuisance_has_attribute(self, *args)
1611 def get_derivative(self, a0):
1612 r"""get_derivative(Nuisance self, FloatKey a0) -> double"""
1613 return _IMP_isd.Nuisance_get_derivative(self, a0)
1616 r"""get_name(Nuisance self) -> std::string"""
1617 return _IMP_isd.Nuisance_get_name(self)
1620 r"""clear_caches(Nuisance self)"""
1621 return _IMP_isd.Nuisance_clear_caches(self)
1623 def set_name(self, a0):
1624 r"""set_name(Nuisance self, std::string a0)"""
1625 return _IMP_isd.Nuisance_set_name(self, a0)
1628 r"""set_check_level(Nuisance self, IMP::CheckLevel a0)"""
1629 return _IMP_isd.Nuisance_set_check_level(self, a0)
1631 def add_to_derivative(self, a0, a1, a2):
1632 r"""add_to_derivative(Nuisance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1633 return _IMP_isd.Nuisance_add_to_derivative(self, a0, a1, a2)
1635 def set_is_optimized(self, a0, a1):
1636 r"""set_is_optimized(Nuisance self, FloatKey a0, bool a1)"""
1637 return _IMP_isd.Nuisance_set_is_optimized(self, a0, a1)
1639 def get_is_optimized(self, a0):
1640 r"""get_is_optimized(Nuisance self, FloatKey a0) -> bool"""
1641 return _IMP_isd.Nuisance_get_is_optimized(self, a0)
1643 def get_check_level(self):
1644 r"""get_check_level(Nuisance self) -> IMP::CheckLevel"""
1645 return _IMP_isd.Nuisance_get_check_level(self)
1647 def __eq__(self, *args):
1649 __eq__(Nuisance self, Nuisance o) -> bool
1650 __eq__(Nuisance self, Particle d) -> bool
1652 return _IMP_isd.Nuisance___eq__(self, *args)
1654 def __ne__(self, *args):
1656 __ne__(Nuisance self, Nuisance o) -> bool
1657 __ne__(Nuisance self, Particle d) -> bool
1659 return _IMP_isd.Nuisance___ne__(self, *args)
1661 def __le__(self, *args):
1663 __le__(Nuisance self, Nuisance o) -> bool
1664 __le__(Nuisance self, Particle d) -> bool
1666 return _IMP_isd.Nuisance___le__(self, *args)
1668 def __lt__(self, *args):
1670 __lt__(Nuisance self, Nuisance o) -> bool
1671 __lt__(Nuisance self, Particle d) -> bool
1673 return _IMP_isd.Nuisance___lt__(self, *args)
1675 def __ge__(self, *args):
1677 __ge__(Nuisance self, Nuisance o) -> bool
1678 __ge__(Nuisance self, Particle d) -> bool
1680 return _IMP_isd.Nuisance___ge__(self, *args)
1682 def __gt__(self, *args):
1684 __gt__(Nuisance self, Nuisance o) -> bool
1685 __gt__(Nuisance self, Particle d) -> bool
1687 return _IMP_isd.Nuisance___gt__(self, *args)
1690 r"""__hash__(Nuisance self) -> std::size_t"""
1691 return _IMP_isd.Nuisance___hash__(self)
1694 r"""__str__(Nuisance self) -> std::string"""
1695 return _IMP_isd.Nuisance___str__(self)
1698 r"""__repr__(Nuisance self) -> std::string"""
1699 return _IMP_isd.Nuisance___repr__(self)
1701 def _get_as_binary(self):
1702 r"""_get_as_binary(Nuisance self) -> PyObject *"""
1703 return _IMP_isd.Nuisance__get_as_binary(self)
1705 def _set_from_binary(self, p):
1706 r"""_set_from_binary(Nuisance self, PyObject * p)"""
1707 return _IMP_isd.Nuisance__set_from_binary(self, p)
1709 def __getstate__(self):
1710 p = self._get_as_binary()
1711 if len(self.__dict__) > 1:
1712 d = self.__dict__.copy()
1717 def __setstate__(self, p):
1718 if not hasattr(self,
'this'):
1720 if isinstance(p, tuple):
1722 self.__dict__.update(d)
1723 return self._set_from_binary(p)
1725 __swig_destroy__ = _IMP_isd.delete_Nuisance
1728 _IMP_isd.Nuisance_swigregister(Nuisance)
1729 class Scale(Nuisance):
1730 r"""Proxy of C++ IMP::isd::Scale class."""
1732 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1734 def __init__(self, *args):
1736 __init__(Scale self) -> Scale
1737 __init__(Scale self, Model m, ParticleIndex id) -> Scale
1738 __init__(Scale self, _ParticleAdaptor d) -> Scale
1740 _IMP_isd.Scale_swiginit(self, _IMP_isd.new_Scale(*args))
1742 def show(self, *args):
1743 r"""show(Scale self, _ostream out=std::cout)"""
1744 return _IMP_isd.Scale_show(self, *args)
1747 def setup_particle(*args):
1749 setup_particle(Model m, ParticleIndex pi) -> Scale
1750 setup_particle(_ParticleAdaptor pa) -> Scale
1751 setup_particle(Model m, ParticleIndex pi, double scale) -> Scale
1752 setup_particle(_ParticleAdaptor pa, double scale) -> Scale
1754 return _IMP_isd.Scale_setup_particle(*args)
1757 def get_is_setup(*args):
1759 get_is_setup(_ParticleAdaptor p) -> bool
1760 get_is_setup(Model m, ParticleIndex pi) -> bool
1762 return _IMP_isd.Scale_get_is_setup(*args)
1764 def get_scale(self):
1765 r"""get_scale(Scale self) -> IMP::Float"""
1766 return _IMP_isd.Scale_get_scale(self)
1768 def set_scale(self, d):
1769 r"""set_scale(Scale self, IMP::Float d)"""
1770 return _IMP_isd.Scale_set_scale(self, d)
1772 def add_to_scale_derivative(self, d, accum):
1773 r"""add_to_scale_derivative(Scale self, IMP::Float d, DerivativeAccumulator accum)"""
1774 return _IMP_isd.Scale_add_to_scale_derivative(self, d, accum)
1776 def get_scale_derivative(self):
1777 r"""get_scale_derivative(Scale self) -> IMP::Float"""
1778 return _IMP_isd.Scale_get_scale_derivative(self)
1781 def get_scale_key():
1782 r"""get_scale_key() -> FloatKey"""
1783 return _IMP_isd.Scale_get_scale_key()
1785 def get_scale_is_optimized(self):
1786 r"""get_scale_is_optimized(Scale self) -> bool"""
1787 return _IMP_isd.Scale_get_scale_is_optimized(self)
1789 def set_scale_is_optimized(self, val):
1790 r"""set_scale_is_optimized(Scale self, bool val)"""
1791 return _IMP_isd.Scale_set_scale_is_optimized(self, val)
1793 def add_attribute(self, *args):
1795 add_attribute(Scale self, FloatKey k, IMP::Float v, bool opt)
1796 add_attribute(Scale self, FloatKey a0, IMP::Float a1)
1797 add_attribute(Scale self, IntKey a0, IMP::Int a1)
1798 add_attribute(Scale self, FloatsKey a0, IMP::Floats a1)
1799 add_attribute(Scale self, IntsKey a0, IMP::Ints a1)
1800 add_attribute(Scale self, StringKey a0, IMP::String a1)
1801 add_attribute(Scale self, ParticleIndexKey a0, Particle a1)
1802 add_attribute(Scale self, ObjectKey a0, Object a1)
1803 add_attribute(Scale self, SparseFloatKey a0, IMP::Float a1)
1804 add_attribute(Scale self, SparseIntKey a0, IMP::Int a1)
1805 add_attribute(Scale self, SparseStringKey a0, IMP::String a1)
1806 add_attribute(Scale self, SparseParticleIndexKey a0, ParticleIndex a1)
1808 return _IMP_isd.Scale_add_attribute(self, *args)
1810 def get_value(self, *args):
1812 get_value(Scale self, FloatKey a0) -> IMP::Float
1813 get_value(Scale self, IntKey a0) -> IMP::Int
1814 get_value(Scale self, FloatsKey a0) -> IMP::Floats
1815 get_value(Scale self, IntsKey a0) -> IMP::Ints
1816 get_value(Scale self, StringKey a0) -> IMP::String
1817 get_value(Scale self, ParticleIndexKey a0) -> Particle
1818 get_value(Scale self, ObjectKey a0) -> Object
1819 get_value(Scale self, SparseFloatKey a0) -> IMP::Float
1820 get_value(Scale self, SparseIntKey a0) -> IMP::Int
1821 get_value(Scale self, SparseStringKey a0) -> IMP::String
1822 get_value(Scale self, SparseParticleIndexKey a0) -> ParticleIndex
1824 return _IMP_isd.Scale_get_value(self, *args)
1826 def set_value(self, *args):
1828 set_value(Scale self, FloatKey a0, IMP::Float a1)
1829 set_value(Scale self, IntKey a0, IMP::Int a1)
1830 set_value(Scale self, FloatsKey a0, IMP::Floats a1)
1831 set_value(Scale self, IntsKey a0, IMP::Ints a1)
1832 set_value(Scale self, StringKey a0, IMP::String a1)
1833 set_value(Scale self, ParticleIndexKey a0, Particle a1)
1834 set_value(Scale self, ObjectKey a0, Object a1)
1835 set_value(Scale self, SparseFloatKey a0, IMP::Float a1)
1836 set_value(Scale self, SparseIntKey a0, IMP::Int a1)
1837 set_value(Scale self, SparseStringKey a0, IMP::String a1)
1838 set_value(Scale self, SparseParticleIndexKey a0, ParticleIndex a1)
1840 return _IMP_isd.Scale_set_value(self, *args)
1842 def remove_attribute(self, *args):
1844 remove_attribute(Scale self, FloatKey a0)
1845 remove_attribute(Scale self, IntKey a0)
1846 remove_attribute(Scale self, FloatsKey a0)
1847 remove_attribute(Scale self, IntsKey a0)
1848 remove_attribute(Scale self, StringKey a0)
1849 remove_attribute(Scale self, ParticleIndexKey a0)
1850 remove_attribute(Scale self, ObjectKey a0)
1851 remove_attribute(Scale self, SparseFloatKey a0)
1852 remove_attribute(Scale self, SparseIntKey a0)
1853 remove_attribute(Scale self, SparseStringKey a0)
1854 remove_attribute(Scale self, SparseParticleIndexKey a0)
1856 return _IMP_isd.Scale_remove_attribute(self, *args)
1858 def has_attribute(self, *args):
1860 has_attribute(Scale self, FloatKey a0) -> bool
1861 has_attribute(Scale self, IntKey a0) -> bool
1862 has_attribute(Scale self, FloatsKey a0) -> bool
1863 has_attribute(Scale self, IntsKey a0) -> bool
1864 has_attribute(Scale self, StringKey a0) -> bool
1865 has_attribute(Scale self, ParticleIndexKey a0) -> bool
1866 has_attribute(Scale self, ObjectKey a0) -> bool
1867 has_attribute(Scale self, SparseFloatKey a0) -> bool
1868 has_attribute(Scale self, SparseIntKey a0) -> bool
1869 has_attribute(Scale self, SparseStringKey a0) -> bool
1870 has_attribute(Scale self, SparseParticleIndexKey a0) -> bool
1872 return _IMP_isd.Scale_has_attribute(self, *args)
1874 def get_derivative(self, a0):
1875 r"""get_derivative(Scale self, FloatKey a0) -> double"""
1876 return _IMP_isd.Scale_get_derivative(self, a0)
1879 r"""get_name(Scale self) -> std::string"""
1880 return _IMP_isd.Scale_get_name(self)
1883 r"""clear_caches(Scale self)"""
1884 return _IMP_isd.Scale_clear_caches(self)
1886 def set_name(self, a0):
1887 r"""set_name(Scale self, std::string a0)"""
1888 return _IMP_isd.Scale_set_name(self, a0)
1891 r"""set_check_level(Scale self, IMP::CheckLevel a0)"""
1892 return _IMP_isd.Scale_set_check_level(self, a0)
1894 def add_to_derivative(self, a0, a1, a2):
1895 r"""add_to_derivative(Scale self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1896 return _IMP_isd.Scale_add_to_derivative(self, a0, a1, a2)
1898 def set_is_optimized(self, a0, a1):
1899 r"""set_is_optimized(Scale self, FloatKey a0, bool a1)"""
1900 return _IMP_isd.Scale_set_is_optimized(self, a0, a1)
1902 def get_is_optimized(self, a0):
1903 r"""get_is_optimized(Scale self, FloatKey a0) -> bool"""
1904 return _IMP_isd.Scale_get_is_optimized(self, a0)
1906 def get_check_level(self):
1907 r"""get_check_level(Scale self) -> IMP::CheckLevel"""
1908 return _IMP_isd.Scale_get_check_level(self)
1910 def __eq__(self, *args):
1912 __eq__(Scale self, Scale o) -> bool
1913 __eq__(Scale self, Particle d) -> bool
1915 return _IMP_isd.Scale___eq__(self, *args)
1917 def __ne__(self, *args):
1919 __ne__(Scale self, Scale o) -> bool
1920 __ne__(Scale self, Particle d) -> bool
1922 return _IMP_isd.Scale___ne__(self, *args)
1924 def __le__(self, *args):
1926 __le__(Scale self, Scale o) -> bool
1927 __le__(Scale self, Particle d) -> bool
1929 return _IMP_isd.Scale___le__(self, *args)
1931 def __lt__(self, *args):
1933 __lt__(Scale self, Scale o) -> bool
1934 __lt__(Scale self, Particle d) -> bool
1936 return _IMP_isd.Scale___lt__(self, *args)
1938 def __ge__(self, *args):
1940 __ge__(Scale self, Scale o) -> bool
1941 __ge__(Scale self, Particle d) -> bool
1943 return _IMP_isd.Scale___ge__(self, *args)
1945 def __gt__(self, *args):
1947 __gt__(Scale self, Scale o) -> bool
1948 __gt__(Scale self, Particle d) -> bool
1950 return _IMP_isd.Scale___gt__(self, *args)
1953 r"""__hash__(Scale self) -> std::size_t"""
1954 return _IMP_isd.Scale___hash__(self)
1957 r"""__str__(Scale self) -> std::string"""
1958 return _IMP_isd.Scale___str__(self)
1961 r"""__repr__(Scale self) -> std::string"""
1962 return _IMP_isd.Scale___repr__(self)
1964 def _get_as_binary(self):
1965 r"""_get_as_binary(Scale self) -> PyObject *"""
1966 return _IMP_isd.Scale__get_as_binary(self)
1968 def _set_from_binary(self, p):
1969 r"""_set_from_binary(Scale self, PyObject * p)"""
1970 return _IMP_isd.Scale__set_from_binary(self, p)
1972 def __getstate__(self):
1973 p = self._get_as_binary()
1974 if len(self.__dict__) > 1:
1975 d = self.__dict__.copy()
1980 def __setstate__(self, p):
1981 if not hasattr(self,
'this'):
1983 if isinstance(p, tuple):
1985 self.__dict__.update(d)
1986 return self._set_from_binary(p)
1988 __swig_destroy__ = _IMP_isd.delete_Scale
1991 _IMP_isd.Scale_swigregister(Scale)
1992 class Switching(Nuisance):
1993 r"""Proxy of C++ IMP::isd::Switching class."""
1995 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1997 def __init__(self, *args):
1999 __init__(Switching self) -> Switching
2000 __init__(Switching self, Model m, ParticleIndex id) -> Switching
2001 __init__(Switching self, _ParticleAdaptor d) -> Switching
2003 _IMP_isd.Switching_swiginit(self, _IMP_isd.new_Switching(*args))
2005 def show(self, *args):
2006 r"""show(Switching self, _ostream out=std::cout)"""
2007 return _IMP_isd.Switching_show(self, *args)
2010 def setup_particle(*args):
2012 setup_particle(Model m, ParticleIndex pi) -> Switching
2013 setup_particle(_ParticleAdaptor pa) -> Switching
2014 setup_particle(Model m, ParticleIndex pi, double switching) -> Switching
2015 setup_particle(_ParticleAdaptor pa, double switching) -> Switching
2017 return _IMP_isd.Switching_setup_particle(*args)
2020 def get_is_setup(*args):
2022 get_is_setup(_ParticleAdaptor p) -> bool
2023 get_is_setup(Model m, ParticleIndex pi) -> bool
2025 return _IMP_isd.Switching_get_is_setup(*args)
2027 def get_switching(self):
2028 r"""get_switching(Switching self) -> IMP::Float"""
2029 return _IMP_isd.Switching_get_switching(self)
2031 def set_switching(self, d):
2032 r"""set_switching(Switching self, IMP::Float d)"""
2033 return _IMP_isd.Switching_set_switching(self, d)
2035 def add_to_switching_derivative(self, d, accum):
2036 r"""add_to_switching_derivative(Switching self, IMP::Float d, DerivativeAccumulator accum)"""
2037 return _IMP_isd.Switching_add_to_switching_derivative(self, d, accum)
2039 def get_switching_derivative(self):
2040 r"""get_switching_derivative(Switching self) -> IMP::Float"""
2041 return _IMP_isd.Switching_get_switching_derivative(self)
2044 def get_switching_key():
2045 r"""get_switching_key() -> FloatKey"""
2046 return _IMP_isd.Switching_get_switching_key()
2048 def get_switching_is_optimized(self):
2049 r"""get_switching_is_optimized(Switching self) -> bool"""
2050 return _IMP_isd.Switching_get_switching_is_optimized(self)
2052 def set_switching_is_optimized(self, val):
2053 r"""set_switching_is_optimized(Switching self, bool val)"""
2054 return _IMP_isd.Switching_set_switching_is_optimized(self, val)
2056 def add_attribute(self, *args):
2058 add_attribute(Switching self, FloatKey k, IMP::Float v, bool opt)
2059 add_attribute(Switching self, FloatKey a0, IMP::Float a1)
2060 add_attribute(Switching self, IntKey a0, IMP::Int a1)
2061 add_attribute(Switching self, FloatsKey a0, IMP::Floats a1)
2062 add_attribute(Switching self, IntsKey a0, IMP::Ints a1)
2063 add_attribute(Switching self, StringKey a0, IMP::String a1)
2064 add_attribute(Switching self, ParticleIndexKey a0, Particle a1)
2065 add_attribute(Switching self, ObjectKey a0, Object a1)
2066 add_attribute(Switching self, SparseFloatKey a0, IMP::Float a1)
2067 add_attribute(Switching self, SparseIntKey a0, IMP::Int a1)
2068 add_attribute(Switching self, SparseStringKey a0, IMP::String a1)
2069 add_attribute(Switching self, SparseParticleIndexKey a0, ParticleIndex a1)
2071 return _IMP_isd.Switching_add_attribute(self, *args)
2073 def get_value(self, *args):
2075 get_value(Switching self, FloatKey a0) -> IMP::Float
2076 get_value(Switching self, IntKey a0) -> IMP::Int
2077 get_value(Switching self, FloatsKey a0) -> IMP::Floats
2078 get_value(Switching self, IntsKey a0) -> IMP::Ints
2079 get_value(Switching self, StringKey a0) -> IMP::String
2080 get_value(Switching self, ParticleIndexKey a0) -> Particle
2081 get_value(Switching self, ObjectKey a0) -> Object
2082 get_value(Switching self, SparseFloatKey a0) -> IMP::Float
2083 get_value(Switching self, SparseIntKey a0) -> IMP::Int
2084 get_value(Switching self, SparseStringKey a0) -> IMP::String
2085 get_value(Switching self, SparseParticleIndexKey a0) -> ParticleIndex
2087 return _IMP_isd.Switching_get_value(self, *args)
2089 def set_value(self, *args):
2091 set_value(Switching self, FloatKey a0, IMP::Float a1)
2092 set_value(Switching self, IntKey a0, IMP::Int a1)
2093 set_value(Switching self, FloatsKey a0, IMP::Floats a1)
2094 set_value(Switching self, IntsKey a0, IMP::Ints a1)
2095 set_value(Switching self, StringKey a0, IMP::String a1)
2096 set_value(Switching self, ParticleIndexKey a0, Particle a1)
2097 set_value(Switching self, ObjectKey a0, Object a1)
2098 set_value(Switching self, SparseFloatKey a0, IMP::Float a1)
2099 set_value(Switching self, SparseIntKey a0, IMP::Int a1)
2100 set_value(Switching self, SparseStringKey a0, IMP::String a1)
2101 set_value(Switching self, SparseParticleIndexKey a0, ParticleIndex a1)
2103 return _IMP_isd.Switching_set_value(self, *args)
2105 def remove_attribute(self, *args):
2107 remove_attribute(Switching self, FloatKey a0)
2108 remove_attribute(Switching self, IntKey a0)
2109 remove_attribute(Switching self, FloatsKey a0)
2110 remove_attribute(Switching self, IntsKey a0)
2111 remove_attribute(Switching self, StringKey a0)
2112 remove_attribute(Switching self, ParticleIndexKey a0)
2113 remove_attribute(Switching self, ObjectKey a0)
2114 remove_attribute(Switching self, SparseFloatKey a0)
2115 remove_attribute(Switching self, SparseIntKey a0)
2116 remove_attribute(Switching self, SparseStringKey a0)
2117 remove_attribute(Switching self, SparseParticleIndexKey a0)
2119 return _IMP_isd.Switching_remove_attribute(self, *args)
2121 def has_attribute(self, *args):
2123 has_attribute(Switching self, FloatKey a0) -> bool
2124 has_attribute(Switching self, IntKey a0) -> bool
2125 has_attribute(Switching self, FloatsKey a0) -> bool
2126 has_attribute(Switching self, IntsKey a0) -> bool
2127 has_attribute(Switching self, StringKey a0) -> bool
2128 has_attribute(Switching self, ParticleIndexKey a0) -> bool
2129 has_attribute(Switching self, ObjectKey a0) -> bool
2130 has_attribute(Switching self, SparseFloatKey a0) -> bool
2131 has_attribute(Switching self, SparseIntKey a0) -> bool
2132 has_attribute(Switching self, SparseStringKey a0) -> bool
2133 has_attribute(Switching self, SparseParticleIndexKey a0) -> bool
2135 return _IMP_isd.Switching_has_attribute(self, *args)
2137 def get_derivative(self, a0):
2138 r"""get_derivative(Switching self, FloatKey a0) -> double"""
2139 return _IMP_isd.Switching_get_derivative(self, a0)
2142 r"""get_name(Switching self) -> std::string"""
2143 return _IMP_isd.Switching_get_name(self)
2146 r"""clear_caches(Switching self)"""
2147 return _IMP_isd.Switching_clear_caches(self)
2149 def set_name(self, a0):
2150 r"""set_name(Switching self, std::string a0)"""
2151 return _IMP_isd.Switching_set_name(self, a0)
2154 r"""set_check_level(Switching self, IMP::CheckLevel a0)"""
2155 return _IMP_isd.Switching_set_check_level(self, a0)
2157 def add_to_derivative(self, a0, a1, a2):
2158 r"""add_to_derivative(Switching self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2159 return _IMP_isd.Switching_add_to_derivative(self, a0, a1, a2)
2161 def set_is_optimized(self, a0, a1):
2162 r"""set_is_optimized(Switching self, FloatKey a0, bool a1)"""
2163 return _IMP_isd.Switching_set_is_optimized(self, a0, a1)
2165 def get_is_optimized(self, a0):
2166 r"""get_is_optimized(Switching self, FloatKey a0) -> bool"""
2167 return _IMP_isd.Switching_get_is_optimized(self, a0)
2169 def get_check_level(self):
2170 r"""get_check_level(Switching self) -> IMP::CheckLevel"""
2171 return _IMP_isd.Switching_get_check_level(self)
2173 def __eq__(self, *args):
2175 __eq__(Switching self, Switching o) -> bool
2176 __eq__(Switching self, Particle d) -> bool
2178 return _IMP_isd.Switching___eq__(self, *args)
2180 def __ne__(self, *args):
2182 __ne__(Switching self, Switching o) -> bool
2183 __ne__(Switching self, Particle d) -> bool
2185 return _IMP_isd.Switching___ne__(self, *args)
2187 def __le__(self, *args):
2189 __le__(Switching self, Switching o) -> bool
2190 __le__(Switching self, Particle d) -> bool
2192 return _IMP_isd.Switching___le__(self, *args)
2194 def __lt__(self, *args):
2196 __lt__(Switching self, Switching o) -> bool
2197 __lt__(Switching self, Particle d) -> bool
2199 return _IMP_isd.Switching___lt__(self, *args)
2201 def __ge__(self, *args):
2203 __ge__(Switching self, Switching o) -> bool
2204 __ge__(Switching self, Particle d) -> bool
2206 return _IMP_isd.Switching___ge__(self, *args)
2208 def __gt__(self, *args):
2210 __gt__(Switching self, Switching o) -> bool
2211 __gt__(Switching self, Particle d) -> bool
2213 return _IMP_isd.Switching___gt__(self, *args)
2216 r"""__hash__(Switching self) -> std::size_t"""
2217 return _IMP_isd.Switching___hash__(self)
2220 r"""__str__(Switching self) -> std::string"""
2221 return _IMP_isd.Switching___str__(self)
2224 r"""__repr__(Switching self) -> std::string"""
2225 return _IMP_isd.Switching___repr__(self)
2227 def _get_as_binary(self):
2228 r"""_get_as_binary(Switching self) -> PyObject *"""
2229 return _IMP_isd.Switching__get_as_binary(self)
2231 def _set_from_binary(self, p):
2232 r"""_set_from_binary(Switching self, PyObject * p)"""
2233 return _IMP_isd.Switching__set_from_binary(self, p)
2235 def __getstate__(self):
2236 p = self._get_as_binary()
2237 if len(self.__dict__) > 1:
2238 d = self.__dict__.copy()
2243 def __setstate__(self, p):
2244 if not hasattr(self,
'this'):
2246 if isinstance(p, tuple):
2248 self.__dict__.update(d)
2249 return self._set_from_binary(p)
2251 __swig_destroy__ = _IMP_isd.delete_Switching
2254 _IMP_isd.Switching_swigregister(Switching)
2256 r"""Proxy of C++ IMP::isd::Weight class."""
2258 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2260 def __init__(self, *args):
2262 __init__(Weight self) -> Weight
2263 __init__(Weight self, Model m, ParticleIndex id) -> Weight
2264 __init__(Weight self, _ParticleAdaptor d) -> Weight
2266 _IMP_isd.Weight_swiginit(self, _IMP_isd.new_Weight(*args))
2268 def show(self, *args):
2269 r"""show(Weight self, _ostream out=std::cout)"""
2270 return _IMP_isd.Weight_show(self, *args)
2273 def setup_particle(*args):
2275 setup_particle(Model m, ParticleIndex pi) -> Weight
2276 setup_particle(_ParticleAdaptor pa) -> Weight
2277 setup_particle(Model m, ParticleIndex pi, IMP::Int nweights) -> Weight
2278 setup_particle(_ParticleAdaptor pa, IMP::Int nweights) -> Weight
2279 setup_particle(Model m, ParticleIndex pi, VectorKD w) -> Weight
2280 setup_particle(_ParticleAdaptor pa, VectorKD w) -> Weight
2282 return _IMP_isd.Weight_setup_particle(*args)
2285 def get_number_of_weights_key():
2286 r"""get_number_of_weights_key() -> IntKey"""
2287 return _IMP_isd.Weight_get_number_of_weights_key()
2290 def get_weight_key(i):
2291 r"""get_weight_key(int i) -> FloatKey"""
2292 return _IMP_isd.Weight_get_weight_key(i)
2294 def get_weight_keys(self):
2295 r"""get_weight_keys(Weight self) -> IMP::FloatKeys"""
2296 return _IMP_isd.Weight_get_weight_keys(self)
2298 def get_weight(self, i):
2299 r"""get_weight(Weight self, int i) -> IMP::Float"""
2300 return _IMP_isd.Weight_get_weight(self, i)
2302 def get_weights(self):
2303 r"""get_weights(Weight self) -> VectorKD"""
2304 return _IMP_isd.Weight_get_weights(self)
2306 def set_weight_lazy(self, i, wi):
2307 r"""set_weight_lazy(Weight self, int i, IMP::Float wi)"""
2308 return _IMP_isd.Weight_set_weight_lazy(self, i, wi)
2310 def set_weights_lazy(self, w):
2311 r"""set_weights_lazy(Weight self, VectorKD w)"""
2312 return _IMP_isd.Weight_set_weights_lazy(self, w)
2314 def set_weights(self, w):
2315 r"""set_weights(Weight self, VectorKD w)"""
2316 return _IMP_isd.Weight_set_weights(self, w)
2318 def get_weights_are_optimized(self):
2319 r"""get_weights_are_optimized(Weight self) -> bool"""
2320 return _IMP_isd.Weight_get_weights_are_optimized(self)
2322 def set_weights_are_optimized(self, tf):
2323 r"""set_weights_are_optimized(Weight self, bool tf)"""
2324 return _IMP_isd.Weight_set_weights_are_optimized(self, tf)
2326 def get_weight_derivative(self, i):
2327 r"""get_weight_derivative(Weight self, int i) -> IMP::Float"""
2328 return _IMP_isd.Weight_get_weight_derivative(self, i)
2330 def get_weights_derivatives(self):
2331 r"""get_weights_derivatives(Weight self) -> VectorKD"""
2332 return _IMP_isd.Weight_get_weights_derivatives(self)
2334 def add_to_weight_derivative(self, i, dwi, da):
2335 r"""add_to_weight_derivative(Weight self, int i, IMP::Float dwi, DerivativeAccumulator da)"""
2336 return _IMP_isd.Weight_add_to_weight_derivative(self, i, dwi, da)
2338 def add_to_weights_derivatives(self, dw, da):
2339 r"""add_to_weights_derivatives(Weight self, VectorKD dw, DerivativeAccumulator da)"""
2340 return _IMP_isd.Weight_add_to_weights_derivatives(self, dw, da)
2342 def add_weight_lazy(self, wi=0):
2343 r"""add_weight_lazy(Weight self, IMP::Float wi=0)"""
2344 return _IMP_isd.Weight_add_weight_lazy(self, wi)
2346 def add_weight(self, wi=0):
2347 r"""add_weight(Weight self, IMP::Float wi=0)"""
2348 return _IMP_isd.Weight_add_weight(self, wi)
2350 def get_number_of_weights(self):
2351 r"""get_number_of_weights(Weight self) -> IMP::Int"""
2352 return _IMP_isd.Weight_get_number_of_weights(self)
2354 def get_unit_simplex(self):
2355 r"""get_unit_simplex(Weight self) -> UnitSimplexKD"""
2356 return _IMP_isd.Weight_get_unit_simplex(self)
2358 def set_number_of_weights_lazy(self, nweights):
2359 r"""set_number_of_weights_lazy(Weight self, IMP::Int nweights)"""
2360 return _IMP_isd.Weight_set_number_of_weights_lazy(self, nweights)
2362 def set_number_of_weights(self, nweights):
2363 r"""set_number_of_weights(Weight self, IMP::Int nweights)"""
2364 return _IMP_isd.Weight_set_number_of_weights(self, nweights)
2367 def get_is_setup(*args):
2369 get_is_setup(_ParticleAdaptor p) -> bool
2370 get_is_setup(Model m, ParticleIndex pi) -> bool
2372 return _IMP_isd.Weight_get_is_setup(*args)
2374 def add_attribute(self, *args):
2376 add_attribute(Weight self, FloatKey k, IMP::Float v, bool opt)
2377 add_attribute(Weight self, FloatKey a0, IMP::Float a1)
2378 add_attribute(Weight self, IntKey a0, IMP::Int a1)
2379 add_attribute(Weight self, FloatsKey a0, IMP::Floats a1)
2380 add_attribute(Weight self, IntsKey a0, IMP::Ints a1)
2381 add_attribute(Weight self, StringKey a0, IMP::String a1)
2382 add_attribute(Weight self, ParticleIndexKey a0, Particle a1)
2383 add_attribute(Weight self, ObjectKey a0, Object a1)
2384 add_attribute(Weight self, SparseFloatKey a0, IMP::Float a1)
2385 add_attribute(Weight self, SparseIntKey a0, IMP::Int a1)
2386 add_attribute(Weight self, SparseStringKey a0, IMP::String a1)
2387 add_attribute(Weight self, SparseParticleIndexKey a0, ParticleIndex a1)
2389 return _IMP_isd.Weight_add_attribute(self, *args)
2391 def get_value(self, *args):
2393 get_value(Weight self, FloatKey a0) -> IMP::Float
2394 get_value(Weight self, IntKey a0) -> IMP::Int
2395 get_value(Weight self, FloatsKey a0) -> IMP::Floats
2396 get_value(Weight self, IntsKey a0) -> IMP::Ints
2397 get_value(Weight self, StringKey a0) -> IMP::String
2398 get_value(Weight self, ParticleIndexKey a0) -> Particle
2399 get_value(Weight self, ObjectKey a0) -> Object
2400 get_value(Weight self, SparseFloatKey a0) -> IMP::Float
2401 get_value(Weight self, SparseIntKey a0) -> IMP::Int
2402 get_value(Weight self, SparseStringKey a0) -> IMP::String
2403 get_value(Weight self, SparseParticleIndexKey a0) -> ParticleIndex
2405 return _IMP_isd.Weight_get_value(self, *args)
2407 def set_value(self, *args):
2409 set_value(Weight self, FloatKey a0, IMP::Float a1)
2410 set_value(Weight self, IntKey a0, IMP::Int a1)
2411 set_value(Weight self, FloatsKey a0, IMP::Floats a1)
2412 set_value(Weight self, IntsKey a0, IMP::Ints a1)
2413 set_value(Weight self, StringKey a0, IMP::String a1)
2414 set_value(Weight self, ParticleIndexKey a0, Particle a1)
2415 set_value(Weight self, ObjectKey a0, Object a1)
2416 set_value(Weight self, SparseFloatKey a0, IMP::Float a1)
2417 set_value(Weight self, SparseIntKey a0, IMP::Int a1)
2418 set_value(Weight self, SparseStringKey a0, IMP::String a1)
2419 set_value(Weight self, SparseParticleIndexKey a0, ParticleIndex a1)
2421 return _IMP_isd.Weight_set_value(self, *args)
2423 def remove_attribute(self, *args):
2425 remove_attribute(Weight self, FloatKey a0)
2426 remove_attribute(Weight self, IntKey a0)
2427 remove_attribute(Weight self, FloatsKey a0)
2428 remove_attribute(Weight self, IntsKey a0)
2429 remove_attribute(Weight self, StringKey a0)
2430 remove_attribute(Weight self, ParticleIndexKey a0)
2431 remove_attribute(Weight self, ObjectKey a0)
2432 remove_attribute(Weight self, SparseFloatKey a0)
2433 remove_attribute(Weight self, SparseIntKey a0)
2434 remove_attribute(Weight self, SparseStringKey a0)
2435 remove_attribute(Weight self, SparseParticleIndexKey a0)
2437 return _IMP_isd.Weight_remove_attribute(self, *args)
2439 def has_attribute(self, *args):
2441 has_attribute(Weight self, FloatKey a0) -> bool
2442 has_attribute(Weight self, IntKey a0) -> bool
2443 has_attribute(Weight self, FloatsKey a0) -> bool
2444 has_attribute(Weight self, IntsKey a0) -> bool
2445 has_attribute(Weight self, StringKey a0) -> bool
2446 has_attribute(Weight self, ParticleIndexKey a0) -> bool
2447 has_attribute(Weight self, ObjectKey a0) -> bool
2448 has_attribute(Weight self, SparseFloatKey a0) -> bool
2449 has_attribute(Weight self, SparseIntKey a0) -> bool
2450 has_attribute(Weight self, SparseStringKey a0) -> bool
2451 has_attribute(Weight self, SparseParticleIndexKey a0) -> bool
2453 return _IMP_isd.Weight_has_attribute(self, *args)
2455 def get_derivative(self, a0):
2456 r"""get_derivative(Weight self, FloatKey a0) -> double"""
2457 return _IMP_isd.Weight_get_derivative(self, a0)
2460 r"""get_name(Weight self) -> std::string"""
2461 return _IMP_isd.Weight_get_name(self)
2464 r"""clear_caches(Weight self)"""
2465 return _IMP_isd.Weight_clear_caches(self)
2467 def set_name(self, a0):
2468 r"""set_name(Weight self, std::string a0)"""
2469 return _IMP_isd.Weight_set_name(self, a0)
2472 r"""set_check_level(Weight self, IMP::CheckLevel a0)"""
2473 return _IMP_isd.Weight_set_check_level(self, a0)
2475 def add_to_derivative(self, a0, a1, a2):
2476 r"""add_to_derivative(Weight self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2477 return _IMP_isd.Weight_add_to_derivative(self, a0, a1, a2)
2479 def set_is_optimized(self, a0, a1):
2480 r"""set_is_optimized(Weight self, FloatKey a0, bool a1)"""
2481 return _IMP_isd.Weight_set_is_optimized(self, a0, a1)
2483 def get_is_optimized(self, a0):
2484 r"""get_is_optimized(Weight self, FloatKey a0) -> bool"""
2485 return _IMP_isd.Weight_get_is_optimized(self, a0)
2487 def get_check_level(self):
2488 r"""get_check_level(Weight self) -> IMP::CheckLevel"""
2489 return _IMP_isd.Weight_get_check_level(self)
2491 def __eq__(self, *args):
2493 __eq__(Weight self, Weight o) -> bool
2494 __eq__(Weight self, Particle d) -> bool
2496 return _IMP_isd.Weight___eq__(self, *args)
2498 def __ne__(self, *args):
2500 __ne__(Weight self, Weight o) -> bool
2501 __ne__(Weight self, Particle d) -> bool
2503 return _IMP_isd.Weight___ne__(self, *args)
2505 def __le__(self, *args):
2507 __le__(Weight self, Weight o) -> bool
2508 __le__(Weight self, Particle d) -> bool
2510 return _IMP_isd.Weight___le__(self, *args)
2512 def __lt__(self, *args):
2514 __lt__(Weight self, Weight o) -> bool
2515 __lt__(Weight self, Particle d) -> bool
2517 return _IMP_isd.Weight___lt__(self, *args)
2519 def __ge__(self, *args):
2521 __ge__(Weight self, Weight o) -> bool
2522 __ge__(Weight self, Particle d) -> bool
2524 return _IMP_isd.Weight___ge__(self, *args)
2526 def __gt__(self, *args):
2528 __gt__(Weight self, Weight o) -> bool
2529 __gt__(Weight self, Particle d) -> bool
2531 return _IMP_isd.Weight___gt__(self, *args)
2534 r"""__hash__(Weight self) -> std::size_t"""
2535 return _IMP_isd.Weight___hash__(self)
2538 r"""__str__(Weight self) -> std::string"""
2539 return _IMP_isd.Weight___str__(self)
2542 r"""__repr__(Weight self) -> std::string"""
2543 return _IMP_isd.Weight___repr__(self)
2545 def _get_as_binary(self):
2546 r"""_get_as_binary(Weight self) -> PyObject *"""
2547 return _IMP_isd.Weight__get_as_binary(self)
2549 def _set_from_binary(self, p):
2550 r"""_set_from_binary(Weight self, PyObject * p)"""
2551 return _IMP_isd.Weight__set_from_binary(self, p)
2553 def __getstate__(self):
2554 p = self._get_as_binary()
2555 if len(self.__dict__) > 1:
2556 d = self.__dict__.copy()
2561 def __setstate__(self, p):
2562 if not hasattr(self,
'this'):
2564 if isinstance(p, tuple):
2566 self.__dict__.update(d)
2567 return self._set_from_binary(p)
2569 __swig_destroy__ = _IMP_isd.delete_Weight
2572 _IMP_isd.Weight_swigregister(Weight)
2573 cvar = _IMP_isd.cvar
2574 IMPISD_MAX_WEIGHTS = cvar.IMPISD_MAX_WEIGHTS
2577 def __lshift__(*args):
2579 __lshift__(_ostream out, Nuisance n) -> _ostream
2580 __lshift__(_ostream out, Scale n) -> _ostream
2581 __lshift__(_ostream out, Switching n) -> _ostream
2582 __lshift__(_ostream out, Weight n) -> _ostream
2584 return _IMP_isd.__lshift__(*args)
2586 r"""Proxy of C++ IMP::isd::JeffreysRestraint class."""
2588 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2590 def __init__(self, *args):
2592 __init__(JeffreysRestraint self, Model m, Particle p) -> JeffreysRestraint
2593 __init__(JeffreysRestraint self) -> JeffreysRestraint
2595 _IMP_isd.JeffreysRestraint_swiginit(self, _IMP_isd.new_JeffreysRestraint(*args))
2598 r"""do_get_inputs(JeffreysRestraint self) -> IMP::ModelObjectsTemp"""
2599 return _IMP_isd.JeffreysRestraint_do_get_inputs(self)
2602 r"""get_version_info(JeffreysRestraint self) -> VersionInfo"""
2603 return _IMP_isd.JeffreysRestraint_get_version_info(self)
2604 __swig_destroy__ = _IMP_isd.delete_JeffreysRestraint
2606 def get_probability(self):
2607 r"""get_probability(JeffreysRestraint self) -> double"""
2608 return _IMP_isd.JeffreysRestraint_get_probability(self)
2611 r"""__str__(JeffreysRestraint self) -> std::string"""
2612 return _IMP_isd.JeffreysRestraint___str__(self)
2615 r"""__repr__(JeffreysRestraint self) -> std::string"""
2616 return _IMP_isd.JeffreysRestraint___repr__(self)
2620 return _object_cast_to_JeffreysRestraint(o)
2623 def _get_as_binary(self):
2624 r"""_get_as_binary(JeffreysRestraint self) -> PyObject *"""
2625 return _IMP_isd.JeffreysRestraint__get_as_binary(self)
2627 def _set_from_binary(self, p):
2628 r"""_set_from_binary(JeffreysRestraint self, PyObject * p)"""
2629 return _IMP_isd.JeffreysRestraint__set_from_binary(self, p)
2631 def __getstate__(self):
2632 p = self._get_as_binary()
2633 if len(self.__dict__) > 1:
2634 d = self.__dict__.copy()
2639 def __setstate__(self, p):
2640 if not hasattr(self,
'this'):
2642 if isinstance(p, tuple):
2644 self.__dict__.update(d)
2645 return self._set_from_binary(p)
2649 _IMP_isd.JeffreysRestraint_swigregister(JeffreysRestraint)
2651 r"""Proxy of C++ IMP::isd::NormalSigmaPCRestraint class."""
2653 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2655 def __init__(self, *args):
2657 __init__(NormalSigmaPCRestraint self, Model m, ParticleIndex spi, double su, double alpha, std::string name="NormalSigmaPCRestraint%1%") -> NormalSigmaPCRestraint
2658 __init__(NormalSigmaPCRestraint self, Scale s, double su, double alpha, std::string name="NormalSigmaPCRestraint%1%") -> NormalSigmaPCRestraint
2660 _IMP_isd.NormalSigmaPCRestraint_swiginit(self, _IMP_isd.new_NormalSigmaPCRestraint(*args))
2662 def get_sigma(self):
2663 r"""get_sigma(NormalSigmaPCRestraint self) -> Scale"""
2664 return _IMP_isd.NormalSigmaPCRestraint_get_sigma(self)
2666 def get_alpha(self):
2667 r"""get_alpha(NormalSigmaPCRestraint self) -> double"""
2668 return _IMP_isd.NormalSigmaPCRestraint_get_alpha(self)
2670 def get_sigma_upper(self):
2671 r"""get_sigma_upper(NormalSigmaPCRestraint self) -> double"""
2672 return _IMP_isd.NormalSigmaPCRestraint_get_sigma_upper(self)
2674 def get_probability(self):
2675 r"""get_probability(NormalSigmaPCRestraint self) -> double"""
2676 return _IMP_isd.NormalSigmaPCRestraint_get_probability(self)
2679 r"""do_get_inputs(NormalSigmaPCRestraint self) -> IMP::ModelObjectsTemp"""
2680 return _IMP_isd.NormalSigmaPCRestraint_do_get_inputs(self)
2683 r"""get_version_info(NormalSigmaPCRestraint self) -> VersionInfo"""
2684 return _IMP_isd.NormalSigmaPCRestraint_get_version_info(self)
2685 __swig_destroy__ = _IMP_isd.delete_NormalSigmaPCRestraint
2688 r"""__str__(NormalSigmaPCRestraint self) -> std::string"""
2689 return _IMP_isd.NormalSigmaPCRestraint___str__(self)
2692 r"""__repr__(NormalSigmaPCRestraint self) -> std::string"""
2693 return _IMP_isd.NormalSigmaPCRestraint___repr__(self)
2697 return _object_cast_to_NormalSigmaPCRestraint(o)
2701 _IMP_isd.NormalSigmaPCRestraint_swigregister(NormalSigmaPCRestraint)
2703 r"""Proxy of C++ IMP::isd::Distribution class."""
2705 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2707 def __init__(self, *args):
2708 r"""__init__(Distribution self, std::string name="Distribution %1%") -> Distribution"""
2709 if self.__class__ == Distribution:
2713 _IMP_isd.Distribution_swiginit(self, _IMP_isd.new_Distribution(_self, *args))
2715 if self.__class__ != Distribution:
2716 _director_objects.register(self)
2721 def get_type_name(self):
2722 r"""get_type_name(Distribution self) -> std::string"""
2723 return _IMP_isd.Distribution_get_type_name(self)
2726 r"""get_version_info(Distribution self) -> VersionInfo"""
2727 return _IMP_isd.Distribution_get_version_info(self)
2728 __swig_destroy__ = _IMP_isd.delete_Distribution
2731 r"""__str__(Distribution self) -> std::string"""
2732 return _IMP_isd.Distribution___str__(self)
2735 r"""__repr__(Distribution self) -> std::string"""
2736 return _IMP_isd.Distribution___repr__(self)
2740 return _object_cast_to_Distribution(o)
2743 def do_show(self, out):
2748 return _object_cast_to_Distribution(o)
2750 def __disown__(self):
2752 _IMP_isd.disown_Distribution(self)
2753 return weakref.proxy(self)
2756 r"""do_destroy(Distribution self)"""
2757 return _IMP_isd.Distribution_do_destroy(self)
2760 _IMP_isd.Distribution_swigregister(Distribution)
2761 class OneDimensionalDistribution(Distribution):
2762 r"""Proxy of C++ IMP::isd::OneDimensionalDistribution class."""
2764 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2766 def do_evaluate(self, *args):
2768 do_evaluate(OneDimensionalDistribution self, double v) -> double
2769 do_evaluate(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2771 return _IMP_isd.OneDimensionalDistribution_do_evaluate(self, *args)
2773 def do_get_density(self, *args):
2775 do_get_density(OneDimensionalDistribution self, double v) -> double
2776 do_get_density(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2778 return _IMP_isd.OneDimensionalDistribution_do_get_density(self, *args)
2780 def __init__(self, *args):
2781 r"""__init__(OneDimensionalDistribution self, std::string name="OneDimensionalDistribution %1%") -> OneDimensionalDistribution"""
2782 if self.__class__ == OneDimensionalDistribution:
2786 _IMP_isd.OneDimensionalDistribution_swiginit(self, _IMP_isd.new_OneDimensionalDistribution(_self, *args))
2788 if self.__class__ != OneDimensionalDistribution:
2789 _director_objects.register(self)
2794 def evaluate(self, *args):
2796 evaluate(OneDimensionalDistribution self, double v) -> double
2797 evaluate(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2799 return _IMP_isd.OneDimensionalDistribution_evaluate(self, *args)
2801 def get_density(self, *args):
2803 get_density(OneDimensionalDistribution self, double v) -> double
2804 get_density(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2806 return _IMP_isd.OneDimensionalDistribution_get_density(self, *args)
2808 def get_type_name(self):
2809 r"""get_type_name(OneDimensionalDistribution self) -> std::string"""
2810 return _IMP_isd.OneDimensionalDistribution_get_type_name(self)
2813 r"""get_version_info(OneDimensionalDistribution self) -> VersionInfo"""
2814 return _IMP_isd.OneDimensionalDistribution_get_version_info(self)
2815 __swig_destroy__ = _IMP_isd.delete_OneDimensionalDistribution
2818 r"""__str__(OneDimensionalDistribution self) -> std::string"""
2819 return _IMP_isd.OneDimensionalDistribution___str__(self)
2822 r"""__repr__(OneDimensionalDistribution self) -> std::string"""
2823 return _IMP_isd.OneDimensionalDistribution___repr__(self)
2827 return _object_cast_to_OneDimensionalDistribution(o)
2830 def do_show(self, out):
2835 return _object_cast_to_OneDimensionalDistribution(o)
2837 def __disown__(self):
2839 _IMP_isd.disown_OneDimensionalDistribution(self)
2840 return weakref.proxy(self)
2843 r"""do_destroy(OneDimensionalDistribution self)"""
2844 return _IMP_isd.OneDimensionalDistribution_do_destroy(self)
2847 _IMP_isd.OneDimensionalDistribution_swigregister(OneDimensionalDistribution)
2848 class OneDimensionalSufficientDistribution(Distribution):
2849 r"""Proxy of C++ IMP::isd::OneDimensionalSufficientDistribution class."""
2851 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2853 def do_update_sufficient_statistics(self, vs):
2854 r"""do_update_sufficient_statistics(OneDimensionalSufficientDistribution self, IMP::Floats vs)"""
2855 return _IMP_isd.OneDimensionalSufficientDistribution_do_update_sufficient_statistics(self, vs)
2857 def do_get_sufficient_statistics(self):
2858 r"""do_get_sufficient_statistics(OneDimensionalSufficientDistribution self) -> IMP::Floats"""
2859 return _IMP_isd.OneDimensionalSufficientDistribution_do_get_sufficient_statistics(self)
2861 def do_evaluate(self):
2862 r"""do_evaluate(OneDimensionalSufficientDistribution self) -> double"""
2863 return _IMP_isd.OneDimensionalSufficientDistribution_do_evaluate(self)
2865 def do_get_density(self):
2866 r"""do_get_density(OneDimensionalSufficientDistribution self) -> double"""
2867 return _IMP_isd.OneDimensionalSufficientDistribution_do_get_density(self)
2869 def __init__(self, *args):
2870 r"""__init__(OneDimensionalSufficientDistribution self, std::string name="OneDimensionalSufficientDistribution %1%") -> OneDimensionalSufficientDistribution"""
2871 if self.__class__ == OneDimensionalSufficientDistribution:
2875 _IMP_isd.OneDimensionalSufficientDistribution_swiginit(self, _IMP_isd.new_OneDimensionalSufficientDistribution(_self, *args))
2877 if self.__class__ != OneDimensionalSufficientDistribution:
2878 _director_objects.register(self)
2883 def update_sufficient_statistics(self, vs):
2884 r"""update_sufficient_statistics(OneDimensionalSufficientDistribution self, IMP::Floats vs)"""
2885 return _IMP_isd.OneDimensionalSufficientDistribution_update_sufficient_statistics(self, vs)
2887 def get_sufficient_statistics(self):
2888 r"""get_sufficient_statistics(OneDimensionalSufficientDistribution self) -> IMP::Floats"""
2889 return _IMP_isd.OneDimensionalSufficientDistribution_get_sufficient_statistics(self)
2892 r"""evaluate(OneDimensionalSufficientDistribution self) -> double"""
2893 return _IMP_isd.OneDimensionalSufficientDistribution_evaluate(self)
2895 def get_density(self):
2896 r"""get_density(OneDimensionalSufficientDistribution self) -> double"""
2897 return _IMP_isd.OneDimensionalSufficientDistribution_get_density(self)
2899 def get_type_name(self):
2900 r"""get_type_name(OneDimensionalSufficientDistribution self) -> std::string"""
2901 return _IMP_isd.OneDimensionalSufficientDistribution_get_type_name(self)
2904 r"""get_version_info(OneDimensionalSufficientDistribution self) -> VersionInfo"""
2905 return _IMP_isd.OneDimensionalSufficientDistribution_get_version_info(self)
2906 __swig_destroy__ = _IMP_isd.delete_OneDimensionalSufficientDistribution
2909 r"""__str__(OneDimensionalSufficientDistribution self) -> std::string"""
2910 return _IMP_isd.OneDimensionalSufficientDistribution___str__(self)
2913 r"""__repr__(OneDimensionalSufficientDistribution self) -> std::string"""
2914 return _IMP_isd.OneDimensionalSufficientDistribution___repr__(self)
2918 return _object_cast_to_OneDimensionalSufficientDistribution(o)
2921 def do_show(self, out):
2926 return _object_cast_to_OneDimensionalSufficientDistribution(o)
2928 def __disown__(self):
2930 _IMP_isd.disown_OneDimensionalSufficientDistribution(self)
2931 return weakref.proxy(self)
2934 r"""do_destroy(OneDimensionalSufficientDistribution self)"""
2935 return _IMP_isd.OneDimensionalSufficientDistribution_do_destroy(self)
2938 _IMP_isd.OneDimensionalSufficientDistribution_swigregister(OneDimensionalSufficientDistribution)
2939 class FNormal(OneDimensionalSufficientDistribution):
2940 r"""Proxy of C++ IMP::isd::FNormal class."""
2942 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2944 def __init__(self, FA, JA, FM, sigma):
2945 r"""__init__(FNormal self, double FA, double JA, double FM, double sigma) -> FNormal"""
2946 _IMP_isd.FNormal_swiginit(self, _IMP_isd.new_FNormal(FA, JA, FM, sigma))
2948 def update_sufficient_statistics(self, FA):
2949 r"""update_sufficient_statistics(FNormal self, double FA)"""
2950 return _IMP_isd.FNormal_update_sufficient_statistics(self, FA)
2952 def do_update_sufficient_statistics(self, data):
2953 r"""do_update_sufficient_statistics(FNormal self, IMP::Floats data)"""
2954 return _IMP_isd.FNormal_do_update_sufficient_statistics(self, data)
2956 def do_get_sufficient_statistics(self):
2957 r"""do_get_sufficient_statistics(FNormal self) -> IMP::Floats"""
2958 return _IMP_isd.FNormal_do_get_sufficient_statistics(self)
2960 def do_evaluate(self):
2961 r"""do_evaluate(FNormal self) -> double"""
2962 return _IMP_isd.FNormal_do_evaluate(self)
2964 def evaluate_derivative_FA(self):
2965 r"""evaluate_derivative_FA(FNormal self) -> double"""
2966 return _IMP_isd.FNormal_evaluate_derivative_FA(self)
2968 def evaluate_derivative_JA(self):
2969 r"""evaluate_derivative_JA(FNormal self) -> double"""
2970 return _IMP_isd.FNormal_evaluate_derivative_JA(self)
2972 def evaluate_derivative_FM(self):
2973 r"""evaluate_derivative_FM(FNormal self) -> double"""
2974 return _IMP_isd.FNormal_evaluate_derivative_FM(self)
2976 def evaluate_derivative_sigma(self):
2977 r"""evaluate_derivative_sigma(FNormal self) -> double"""
2978 return _IMP_isd.FNormal_evaluate_derivative_sigma(self)
2980 def do_get_density(self):
2981 r"""do_get_density(FNormal self) -> double"""
2982 return _IMP_isd.FNormal_do_get_density(self)
2984 def set_FA(self, f):
2985 r"""set_FA(FNormal self, double f)"""
2986 return _IMP_isd.FNormal_set_FA(self, f)
2988 def set_JA(self, f):
2989 r"""set_JA(FNormal self, double f)"""
2990 return _IMP_isd.FNormal_set_JA(self, f)
2992 def set_FM(self, f):
2993 r"""set_FM(FNormal self, double f)"""
2994 return _IMP_isd.FNormal_set_FM(self, f)
2996 def set_sigma(self, f):
2997 r"""set_sigma(FNormal self, double f)"""
2998 return _IMP_isd.FNormal_set_sigma(self, f)
2999 __swig_destroy__ = _IMP_isd.delete_FNormal
3002 r"""__str__(FNormal self) -> std::string"""
3003 return _IMP_isd.FNormal___str__(self)
3006 r"""__repr__(FNormal self) -> std::string"""
3007 return _IMP_isd.FNormal___repr__(self)
3011 return _object_cast_to_FNormal(o)
3015 _IMP_isd.FNormal_swigregister(FNormal)
3016 class FStudentT(OneDimensionalSufficientDistribution):
3017 r"""Proxy of C++ IMP::isd::FStudentT class."""
3019 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3021 def __init__(self, *args):
3023 __init__(FStudentT self, IMP::Floats FXs, IMP::Floats JXs, double FM, double sigma, double nu, std::string name="FStudentT %1%") -> FStudentT
3024 __init__(FStudentT self, double sumFX, double sumFX2, unsigned int N, double LogJX, double FM, double sigma, double nu, std::string name="FStudentT %1%") -> FStudentT
3026 _IMP_isd.FStudentT_swiginit(self, _IMP_isd.new_FStudentT(*args))
3028 def update_sufficient_statistics(self, FXs, JXs):
3029 r"""update_sufficient_statistics(FStudentT self, IMP::Floats FXs, IMP::Floats JXs)"""
3030 return _IMP_isd.FStudentT_update_sufficient_statistics(self, FXs, JXs)
3032 def evaluate_derivative_Fx(self, Fx):
3033 r"""evaluate_derivative_Fx(FStudentT self, double Fx) -> double"""
3034 return _IMP_isd.FStudentT_evaluate_derivative_Fx(self, Fx)
3036 def evaluate_derivative_FX(self, FXs):
3037 r"""evaluate_derivative_FX(FStudentT self, IMP::Floats const FXs) -> IMP::Floats"""
3038 return _IMP_isd.FStudentT_evaluate_derivative_FX(self, FXs)
3040 def evaluate_derivative_LogJX(self):
3041 r"""evaluate_derivative_LogJX(FStudentT self) -> double"""
3042 return _IMP_isd.FStudentT_evaluate_derivative_LogJX(self)
3044 def evaluate_derivative_FM(self):
3045 r"""evaluate_derivative_FM(FStudentT self) -> double"""
3046 return _IMP_isd.FStudentT_evaluate_derivative_FM(self)
3048 def evaluate_derivative_sigma(self):
3049 r"""evaluate_derivative_sigma(FStudentT self) -> double"""
3050 return _IMP_isd.FStudentT_evaluate_derivative_sigma(self)
3052 def evaluate_derivative_nu(self):
3053 r"""evaluate_derivative_nu(FStudentT self) -> double"""
3054 return _IMP_isd.FStudentT_evaluate_derivative_nu(self)
3056 def update_cached_values(self):
3057 r"""update_cached_values(FStudentT self)"""
3058 return _IMP_isd.FStudentT_update_cached_values(self)
3060 def set_sumFX(self, v):
3061 r"""set_sumFX(FStudentT self, double v)"""
3062 return _IMP_isd.FStudentT_set_sumFX(self, v)
3064 def set_sumFX2(self, v):
3065 r"""set_sumFX2(FStudentT self, double v)"""
3066 return _IMP_isd.FStudentT_set_sumFX2(self, v)
3069 r"""set_N(FStudentT self, unsigned int v)"""
3070 return _IMP_isd.FStudentT_set_N(self, v)
3072 def set_LogJX(self, v):
3073 r"""set_LogJX(FStudentT self, double v)"""
3074 return _IMP_isd.FStudentT_set_LogJX(self, v)
3076 def set_FM(self, v):
3077 r"""set_FM(FStudentT self, double v)"""
3078 return _IMP_isd.FStudentT_set_FM(self, v)
3080 def set_sigma(self, v):
3081 r"""set_sigma(FStudentT self, double v)"""
3082 return _IMP_isd.FStudentT_set_sigma(self, v)
3084 def set_nu(self, v):
3085 r"""set_nu(FStudentT self, double v)"""
3086 return _IMP_isd.FStudentT_set_nu(self, v)
3088 def get_sumFX(self):
3089 r"""get_sumFX(FStudentT self) -> double"""
3090 return _IMP_isd.FStudentT_get_sumFX(self)
3092 def get_sumFX2(self):
3093 r"""get_sumFX2(FStudentT self) -> double"""
3094 return _IMP_isd.FStudentT_get_sumFX2(self)
3097 r"""get_N(FStudentT self) -> unsigned int"""
3098 return _IMP_isd.FStudentT_get_N(self)
3100 def get_LogJX(self):
3101 r"""get_LogJX(FStudentT self) -> double"""
3102 return _IMP_isd.FStudentT_get_LogJX(self)
3105 r"""get_FM(FStudentT self) -> double"""
3106 return _IMP_isd.FStudentT_get_FM(self)
3108 def get_sigma(self):
3109 r"""get_sigma(FStudentT self) -> double"""
3110 return _IMP_isd.FStudentT_get_sigma(self)
3113 r"""get_nu(FStudentT self) -> double"""
3114 return _IMP_isd.FStudentT_get_nu(self)
3115 __swig_destroy__ = _IMP_isd.delete_FStudentT
3118 r"""__str__(FStudentT self) -> std::string"""
3119 return _IMP_isd.FStudentT___str__(self)
3122 r"""__repr__(FStudentT self) -> std::string"""
3123 return _IMP_isd.FStudentT___repr__(self)
3127 return _object_cast_to_FStudentT(o)
3131 _IMP_isd.FStudentT_swigregister(FStudentT)
3133 r"""Proxy of C++ IMP::isd::vonMises class."""
3135 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3137 def __init__(self, x, mu, kappa):
3138 r"""__init__(vonMises self, double x, double mu, double kappa) -> vonMises"""
3139 _IMP_isd.vonMises_swiginit(self, _IMP_isd.new_vonMises(x, mu, kappa))
3142 r"""evaluate(vonMises self) -> double"""
3143 return _IMP_isd.vonMises_evaluate(self)
3145 def evaluate_derivative_x(self):
3146 r"""evaluate_derivative_x(vonMises self) -> double"""
3147 return _IMP_isd.vonMises_evaluate_derivative_x(self)
3149 def evaluate_derivative_mu(self):
3150 r"""evaluate_derivative_mu(vonMises self) -> double"""
3151 return _IMP_isd.vonMises_evaluate_derivative_mu(self)
3153 def evaluate_derivative_kappa(self):
3154 r"""evaluate_derivative_kappa(vonMises self) -> double"""
3155 return _IMP_isd.vonMises_evaluate_derivative_kappa(self)
3158 r"""density(vonMises self) -> double"""
3159 return _IMP_isd.vonMises_density(self)
3162 r"""set_x(vonMises self, double x)"""
3163 return _IMP_isd.vonMises_set_x(self, x)
3165 def set_mu(self, mu):
3166 r"""set_mu(vonMises self, double mu)"""
3167 return _IMP_isd.vonMises_set_mu(self, mu)
3169 def set_kappa(self, kappa):
3170 r"""set_kappa(vonMises self, double kappa)"""
3171 return _IMP_isd.vonMises_set_kappa(self, kappa)
3174 r"""get_version_info(vonMises self) -> VersionInfo"""
3175 return _IMP_isd.vonMises_get_version_info(self)
3176 __swig_destroy__ = _IMP_isd.delete_vonMises
3179 r"""__str__(vonMises self) -> std::string"""
3180 return _IMP_isd.vonMises___str__(self)
3183 r"""__repr__(vonMises self) -> std::string"""
3184 return _IMP_isd.vonMises___repr__(self)
3188 return _object_cast_to_vonMises(o)
3192 _IMP_isd.vonMises_swigregister(vonMises)
3194 r"""Proxy of C++ IMP::isd::vonMisesSufficient class."""
3196 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3198 def __init__(self, *args):
3200 __init__(vonMisesSufficient self, double chi, unsigned int N, double R0, double chiexp, double kappa) -> vonMisesSufficient
3201 __init__(vonMisesSufficient self, double chi, IMP::Floats obs, double kappa) -> vonMisesSufficient
3203 _IMP_isd.vonMisesSufficient_swiginit(self, _IMP_isd.new_vonMisesSufficient(*args))
3206 r"""evaluate(vonMisesSufficient self) -> double"""
3207 return _IMP_isd.vonMisesSufficient_evaluate(self)
3209 def evaluate_derivative_x(self):
3210 r"""evaluate_derivative_x(vonMisesSufficient self) -> double"""
3211 return _IMP_isd.vonMisesSufficient_evaluate_derivative_x(self)
3213 def evaluate_derivative_kappa(self):
3214 r"""evaluate_derivative_kappa(vonMisesSufficient self) -> double"""
3215 return _IMP_isd.vonMisesSufficient_evaluate_derivative_kappa(self)
3218 r"""density(vonMisesSufficient self) -> double"""
3219 return _IMP_isd.vonMisesSufficient_density(self)
3222 r"""get_x(vonMisesSufficient self) -> double"""
3223 return _IMP_isd.vonMisesSufficient_get_x(self)
3226 r"""get_R0(vonMisesSufficient self) -> double"""
3227 return _IMP_isd.vonMisesSufficient_get_R0(self)
3229 def get_chiexp(self):
3230 r"""get_chiexp(vonMisesSufficient self) -> double"""
3231 return _IMP_isd.vonMisesSufficient_get_chiexp(self)
3234 r"""get_N(vonMisesSufficient self) -> double"""
3235 return _IMP_isd.vonMisesSufficient_get_N(self)
3237 def get_kappa(self):
3238 r"""get_kappa(vonMisesSufficient self) -> double"""
3239 return _IMP_isd.vonMisesSufficient_get_kappa(self)
3242 r"""set_x(vonMisesSufficient self, double x)"""
3243 return _IMP_isd.vonMisesSufficient_set_x(self, x)
3245 def set_R0(self, R0):
3246 r"""set_R0(vonMisesSufficient self, double R0)"""
3247 return _IMP_isd.vonMisesSufficient_set_R0(self, R0)
3249 def set_chiexp(self, chiexp):
3250 r"""set_chiexp(vonMisesSufficient self, double chiexp)"""
3251 return _IMP_isd.vonMisesSufficient_set_chiexp(self, chiexp)
3254 r"""set_N(vonMisesSufficient self, unsigned int N)"""
3255 return _IMP_isd.vonMisesSufficient_set_N(self, N)
3257 def set_kappa(self, kappa):
3258 r"""set_kappa(vonMisesSufficient self, double kappa)"""
3259 return _IMP_isd.vonMisesSufficient_set_kappa(self, kappa)
3262 def get_sufficient_statistics(data):
3263 r"""get_sufficient_statistics(IMP::Floats data) -> IMP::Floats"""
3264 return _IMP_isd.vonMisesSufficient_get_sufficient_statistics(data)
3267 r"""get_version_info(vonMisesSufficient self) -> VersionInfo"""
3268 return _IMP_isd.vonMisesSufficient_get_version_info(self)
3269 __swig_destroy__ = _IMP_isd.delete_vonMisesSufficient
3272 r"""__str__(vonMisesSufficient self) -> std::string"""
3273 return _IMP_isd.vonMisesSufficient___str__(self)
3276 r"""__repr__(vonMisesSufficient self) -> std::string"""
3277 return _IMP_isd.vonMisesSufficient___repr__(self)
3281 return _object_cast_to_vonMisesSufficient(o)
3285 _IMP_isd.vonMisesSufficient_swigregister(vonMisesSufficient)
3286 class PenalizedComplexityPrior(OneDimensionalSufficientDistribution):
3287 r"""Proxy of C++ IMP::isd::PenalizedComplexityPrior class."""
3289 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3291 def __init__(self, *args):
3292 r"""__init__(PenalizedComplexityPrior self, double Dxi, double Jxi, double alpha, std::string name="PenalizedComplexityPrior %1%") -> PenalizedComplexityPrior"""
3293 _IMP_isd.PenalizedComplexityPrior_swiginit(self, _IMP_isd.new_PenalizedComplexityPrior(*args))
3295 def update_sufficient_statistics(self, Dxis, Jxis):
3296 r"""update_sufficient_statistics(PenalizedComplexityPrior self, IMP::Floats Dxis, IMP::Floats Jxis)"""
3297 return _IMP_isd.PenalizedComplexityPrior_update_sufficient_statistics(self, Dxis, Jxis)
3299 def evaluate_derivative_Dxi(self):
3300 r"""evaluate_derivative_Dxi(PenalizedComplexityPrior self) -> double"""
3301 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_Dxi(self)
3303 def evaluate_derivative_Jxi(self):
3304 r"""evaluate_derivative_Jxi(PenalizedComplexityPrior self) -> double"""
3305 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_Jxi(self)
3307 def evaluate_derivative_alpha(self):
3308 r"""evaluate_derivative_alpha(PenalizedComplexityPrior self) -> double"""
3309 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_alpha(self)
3311 def evaluate_derivative_xi(self, JJxi):
3312 r"""evaluate_derivative_xi(PenalizedComplexityPrior self, double JJxi) -> double"""
3313 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_xi(self, JJxi)
3315 def set_Dxi(self, v):
3316 r"""set_Dxi(PenalizedComplexityPrior self, double v)"""
3317 return _IMP_isd.PenalizedComplexityPrior_set_Dxi(self, v)
3319 def set_Jxi(self, v):
3320 r"""set_Jxi(PenalizedComplexityPrior self, double v)"""
3321 return _IMP_isd.PenalizedComplexityPrior_set_Jxi(self, v)
3323 def set_alpha(self, v):
3324 r"""set_alpha(PenalizedComplexityPrior self, double v)"""
3325 return _IMP_isd.PenalizedComplexityPrior_set_alpha(self, v)
3328 r"""get_Dxi(PenalizedComplexityPrior self) -> double"""
3329 return _IMP_isd.PenalizedComplexityPrior_get_Dxi(self)
3332 r"""get_Jxi(PenalizedComplexityPrior self) -> double"""
3333 return _IMP_isd.PenalizedComplexityPrior_get_Jxi(self)
3335 def get_alpha(self):
3336 r"""get_alpha(PenalizedComplexityPrior self) -> double"""
3337 return _IMP_isd.PenalizedComplexityPrior_get_alpha(self)
3338 __swig_destroy__ = _IMP_isd.delete_PenalizedComplexityPrior
3341 r"""__str__(PenalizedComplexityPrior self) -> std::string"""
3342 return _IMP_isd.PenalizedComplexityPrior___str__(self)
3345 r"""__repr__(PenalizedComplexityPrior self) -> std::string"""
3346 return _IMP_isd.PenalizedComplexityPrior___repr__(self)
3350 return _object_cast_to_PenalizedComplexityPrior(o)
3354 _IMP_isd.PenalizedComplexityPrior_swigregister(PenalizedComplexityPrior)
3356 r"""Proxy of C++ IMP::isd::vonMisesKappaJeffreysRestraint class."""
3358 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3360 def __init__(self, m, kappa):
3361 r"""__init__(vonMisesKappaJeffreysRestraint self, Model m, Particle kappa) -> vonMisesKappaJeffreysRestraint"""
3362 _IMP_isd.vonMisesKappaJeffreysRestraint_swiginit(self, _IMP_isd.new_vonMisesKappaJeffreysRestraint(m, kappa))
3365 r"""do_get_inputs(vonMisesKappaJeffreysRestraint self) -> IMP::ModelObjectsTemp"""
3366 return _IMP_isd.vonMisesKappaJeffreysRestraint_do_get_inputs(self)
3369 r"""get_version_info(vonMisesKappaJeffreysRestraint self) -> VersionInfo"""
3370 return _IMP_isd.vonMisesKappaJeffreysRestraint_get_version_info(self)
3371 __swig_destroy__ = _IMP_isd.delete_vonMisesKappaJeffreysRestraint
3373 def get_probability(self):
3374 r"""get_probability(vonMisesKappaJeffreysRestraint self) -> double"""
3375 return _IMP_isd.vonMisesKappaJeffreysRestraint_get_probability(self)
3378 r"""__str__(vonMisesKappaJeffreysRestraint self) -> std::string"""
3379 return _IMP_isd.vonMisesKappaJeffreysRestraint___str__(self)
3382 r"""__repr__(vonMisesKappaJeffreysRestraint self) -> std::string"""
3383 return _IMP_isd.vonMisesKappaJeffreysRestraint___repr__(self)
3387 return _object_cast_to_vonMisesKappaJeffreysRestraint(o)
3391 _IMP_isd.vonMisesKappaJeffreysRestraint_swigregister(vonMisesKappaJeffreysRestraint)
3393 r"""Proxy of C++ IMP::isd::vonMisesKappaConjugateRestraint class."""
3395 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3397 def __init__(self, m, kappa, c=10.0, R0=0.0):
3398 r"""__init__(vonMisesKappaConjugateRestraint self, Model m, Particle kappa, double c=10.0, double R0=0.0) -> vonMisesKappaConjugateRestraint"""
3399 _IMP_isd.vonMisesKappaConjugateRestraint_swiginit(self, _IMP_isd.new_vonMisesKappaConjugateRestraint(m, kappa, c, R0))
3402 r"""do_get_inputs(vonMisesKappaConjugateRestraint self) -> IMP::ModelObjectsTemp"""
3403 return _IMP_isd.vonMisesKappaConjugateRestraint_do_get_inputs(self)
3406 r"""get_version_info(vonMisesKappaConjugateRestraint self) -> VersionInfo"""
3407 return _IMP_isd.vonMisesKappaConjugateRestraint_get_version_info(self)
3408 __swig_destroy__ = _IMP_isd.delete_vonMisesKappaConjugateRestraint
3410 def get_probability(self):
3411 r"""get_probability(vonMisesKappaConjugateRestraint self) -> double"""
3412 return _IMP_isd.vonMisesKappaConjugateRestraint_get_probability(self)
3415 r"""__str__(vonMisesKappaConjugateRestraint self) -> std::string"""
3416 return _IMP_isd.vonMisesKappaConjugateRestraint___str__(self)
3419 r"""__repr__(vonMisesKappaConjugateRestraint self) -> std::string"""
3420 return _IMP_isd.vonMisesKappaConjugateRestraint___repr__(self)
3424 return _object_cast_to_vonMisesKappaConjugateRestraint(o)
3428 _IMP_isd.vonMisesKappaConjugateRestraint_swigregister(vonMisesKappaConjugateRestraint)
3430 r"""Proxy of C++ IMP::isd::NOERestraint class."""
3432 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3434 def __init__(self, m, p0, p1, sigma, gamma, Iexp):
3435 r"""__init__(NOERestraint self, Model m, Particle p0, Particle p1, Particle sigma, Particle gamma, double Iexp) -> NOERestraint"""
3436 _IMP_isd.NOERestraint_swiginit(self, _IMP_isd.new_NOERestraint(m, p0, p1, sigma, gamma, Iexp))
3438 def get_probability(self):
3439 r"""get_probability(NOERestraint self) -> double"""
3440 return _IMP_isd.NOERestraint_get_probability(self)
3443 r"""get_chi(NOERestraint self) -> double"""
3444 return _IMP_isd.NOERestraint_get_chi(self)
3447 r"""do_get_inputs(NOERestraint self) -> IMP::ModelObjectsTemp"""
3448 return _IMP_isd.NOERestraint_do_get_inputs(self)
3451 r"""get_version_info(NOERestraint self) -> VersionInfo"""
3452 return _IMP_isd.NOERestraint_get_version_info(self)
3453 __swig_destroy__ = _IMP_isd.delete_NOERestraint
3456 r"""__str__(NOERestraint self) -> std::string"""
3457 return _IMP_isd.NOERestraint___str__(self)
3460 r"""__repr__(NOERestraint self) -> std::string"""
3461 return _IMP_isd.NOERestraint___repr__(self)
3465 return _object_cast_to_NOERestraint(o)
3469 _IMP_isd.NOERestraint_swigregister(NOERestraint)
3471 r"""Proxy of C++ IMP::isd::GaussianRestraint class."""
3473 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3475 def __init__(self, *args):
3477 __init__(GaussianRestraint self, Particle x, Particle mu, Particle sigma) -> GaussianRestraint
3478 __init__(GaussianRestraint self, double x, Particle mu, Particle sigma) -> GaussianRestraint
3479 __init__(GaussianRestraint self, Particle x, double mu, Particle sigma) -> GaussianRestraint
3480 __init__(GaussianRestraint self, Particle x, Particle mu, double sigma) -> GaussianRestraint
3481 __init__(GaussianRestraint self, double x, double mu, Particle sigma) -> GaussianRestraint
3482 __init__(GaussianRestraint self, Particle x, double mu, double sigma) -> GaussianRestraint
3483 __init__(GaussianRestraint self, double x, Particle mu, double sigma) -> GaussianRestraint
3485 _IMP_isd.GaussianRestraint_swiginit(self, _IMP_isd.new_GaussianRestraint(*args))
3487 def get_probability(self):
3488 r"""get_probability(GaussianRestraint self) -> double"""
3489 return _IMP_isd.GaussianRestraint_get_probability(self)
3492 r"""get_chi(GaussianRestraint self) -> double"""
3493 return _IMP_isd.GaussianRestraint_get_chi(self)
3496 r"""do_get_inputs(GaussianRestraint self) -> IMP::ModelObjectsTemp"""
3497 return _IMP_isd.GaussianRestraint_do_get_inputs(self)
3500 r"""get_version_info(GaussianRestraint self) -> VersionInfo"""
3501 return _IMP_isd.GaussianRestraint_get_version_info(self)
3502 __swig_destroy__ = _IMP_isd.delete_GaussianRestraint
3505 r"""__str__(GaussianRestraint self) -> std::string"""
3506 return _IMP_isd.GaussianRestraint___str__(self)
3509 r"""__repr__(GaussianRestraint self) -> std::string"""
3510 return _IMP_isd.GaussianRestraint___repr__(self)
3514 return _object_cast_to_GaussianRestraint(o)
3518 _IMP_isd.GaussianRestraint_swigregister(GaussianRestraint)
3520 r"""Proxy of C++ IMP::isd::StudentTRestraint class."""
3522 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3524 def __init__(self, *args):
3526 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3527 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3528 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3529 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3530 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3531 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3532 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, double sigma, double nu) -> StudentTRestraint
3533 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, double sigma, double nu) -> StudentTRestraint
3534 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3535 __init__(StudentTRestraint self, Model m, double x, double mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3536 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3537 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3538 __init__(StudentTRestraint self, Model m, double x, double mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3539 __init__(StudentTRestraint self, Model m, double x, double mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3540 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, double sigma, double nu) -> StudentTRestraint
3542 _IMP_isd.StudentTRestraint_swiginit(self, _IMP_isd.new_StudentTRestraint(*args))
3544 def get_probability(self):
3545 r"""get_probability(StudentTRestraint self) -> double"""
3546 return _IMP_isd.StudentTRestraint_get_probability(self)
3549 r"""do_get_inputs(StudentTRestraint self) -> IMP::ModelObjectsTemp"""
3550 return _IMP_isd.StudentTRestraint_do_get_inputs(self)
3553 r"""get_version_info(StudentTRestraint self) -> VersionInfo"""
3554 return _IMP_isd.StudentTRestraint_get_version_info(self)
3555 __swig_destroy__ = _IMP_isd.delete_StudentTRestraint
3558 r"""__str__(StudentTRestraint self) -> std::string"""
3559 return _IMP_isd.StudentTRestraint___str__(self)
3562 r"""__repr__(StudentTRestraint self) -> std::string"""
3563 return _IMP_isd.StudentTRestraint___repr__(self)
3567 return _object_cast_to_StudentTRestraint(o)
3571 _IMP_isd.StudentTRestraint_swigregister(StudentTRestraint)
3573 r"""Proxy of C++ IMP::isd::LognormalRestraint class."""
3575 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3577 def __init__(self, *args):
3579 __init__(LognormalRestraint self, Particle x, Particle mu, Particle sigma) -> LognormalRestraint
3580 __init__(LognormalRestraint self, double x, Particle mu, Particle sigma) -> LognormalRestraint
3581 __init__(LognormalRestraint self, Particle x, double mu, Particle sigma) -> LognormalRestraint
3582 __init__(LognormalRestraint self, Particle x, Particle mu, double sigma) -> LognormalRestraint
3583 __init__(LognormalRestraint self, double x, double mu, Particle sigma) -> LognormalRestraint
3584 __init__(LognormalRestraint self, Particle x, double mu, double sigma) -> LognormalRestraint
3585 __init__(LognormalRestraint self, double x, Particle mu, double sigma) -> LognormalRestraint
3587 _IMP_isd.LognormalRestraint_swiginit(self, _IMP_isd.new_LognormalRestraint(*args))
3589 def get_probability(self):
3590 r"""get_probability(LognormalRestraint self) -> double"""
3591 return _IMP_isd.LognormalRestraint_get_probability(self)
3594 r"""get_chi(LognormalRestraint self) -> double"""
3595 return _IMP_isd.LognormalRestraint_get_chi(self)
3598 r"""do_get_inputs(LognormalRestraint self) -> IMP::ModelObjectsTemp"""
3599 return _IMP_isd.LognormalRestraint_do_get_inputs(self)
3602 r"""get_version_info(LognormalRestraint self) -> VersionInfo"""
3603 return _IMP_isd.LognormalRestraint_get_version_info(self)
3604 __swig_destroy__ = _IMP_isd.delete_LognormalRestraint
3607 r"""__str__(LognormalRestraint self) -> std::string"""
3608 return _IMP_isd.LognormalRestraint___str__(self)
3611 r"""__repr__(LognormalRestraint self) -> std::string"""
3612 return _IMP_isd.LognormalRestraint___repr__(self)
3616 return _object_cast_to_LognormalRestraint(o)
3620 _IMP_isd.LognormalRestraint_swigregister(LognormalRestraint)
3622 r"""Proxy of C++ IMP::isd::LognormalAmbiguousRestraint class."""
3624 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3626 def __init__(self, p1, p2, ki, sigmaG):
3627 r"""__init__(LognormalAmbiguousRestraint self, Particle p1, Particle p2, Particle ki, Particle sigmaG) -> LognormalAmbiguousRestraint"""
3628 _IMP_isd.LognormalAmbiguousRestraint_swiginit(self, _IMP_isd.new_LognormalAmbiguousRestraint(p1, p2, ki, sigmaG))
3630 def add_contribution(self, lexp, omega):
3631 r"""add_contribution(LognormalAmbiguousRestraint self, double lexp, Particle omega)"""
3632 return _IMP_isd.LognormalAmbiguousRestraint_add_contribution(self, lexp, omega)
3634 def get_number_of_contributions(self):
3635 r"""get_number_of_contributions(LognormalAmbiguousRestraint self) -> unsigned int"""
3636 return _IMP_isd.LognormalAmbiguousRestraint_get_number_of_contributions(self)
3638 def draw_k_from_posterior(self, kt):
3639 r"""draw_k_from_posterior(LognormalAmbiguousRestraint self, double kt)"""
3640 return _IMP_isd.LognormalAmbiguousRestraint_draw_k_from_posterior(self, kt)
3642 def get_probability(self):
3643 r"""get_probability(LognormalAmbiguousRestraint self) -> double"""
3644 return _IMP_isd.LognormalAmbiguousRestraint_get_probability(self)
3647 r"""do_get_inputs(LognormalAmbiguousRestraint self) -> IMP::ModelObjectsTemp"""
3648 return _IMP_isd.LognormalAmbiguousRestraint_do_get_inputs(self)
3651 r"""get_version_info(LognormalAmbiguousRestraint self) -> VersionInfo"""
3652 return _IMP_isd.LognormalAmbiguousRestraint_get_version_info(self)
3653 __swig_destroy__ = _IMP_isd.delete_LognormalAmbiguousRestraint
3656 r"""__str__(LognormalAmbiguousRestraint self) -> std::string"""
3657 return _IMP_isd.LognormalAmbiguousRestraint___str__(self)
3660 r"""__repr__(LognormalAmbiguousRestraint self) -> std::string"""
3661 return _IMP_isd.LognormalAmbiguousRestraint___repr__(self)
3665 return _object_cast_to_LognormalAmbiguousRestraint(o)
3669 _IMP_isd.LognormalAmbiguousRestraint_swigregister(LognormalAmbiguousRestraint)
3671 r"""Proxy of C++ IMP::isd::AmbiguousNOERestraint class."""
3673 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3675 def __init__(self, *args):
3677 __init__(AmbiguousNOERestraint self, Model m, PairContainer pc, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor gamma, double Iexp) -> AmbiguousNOERestraint
3678 __init__(AmbiguousNOERestraint self) -> AmbiguousNOERestraint
3680 _IMP_isd.AmbiguousNOERestraint_swiginit(self, _IMP_isd.new_AmbiguousNOERestraint(*args))
3682 def get_probability(self):
3683 r"""get_probability(AmbiguousNOERestraint self) -> double"""
3684 return _IMP_isd.AmbiguousNOERestraint_get_probability(self)
3687 r"""get_chi(AmbiguousNOERestraint self) -> double"""
3688 return _IMP_isd.AmbiguousNOERestraint_get_chi(self)
3691 r"""do_get_inputs(AmbiguousNOERestraint self) -> IMP::ModelObjectsTemp"""
3692 return _IMP_isd.AmbiguousNOERestraint_do_get_inputs(self)
3695 r"""get_version_info(AmbiguousNOERestraint self) -> VersionInfo"""
3696 return _IMP_isd.AmbiguousNOERestraint_get_version_info(self)
3697 __swig_destroy__ = _IMP_isd.delete_AmbiguousNOERestraint
3700 r"""__str__(AmbiguousNOERestraint self) -> std::string"""
3701 return _IMP_isd.AmbiguousNOERestraint___str__(self)
3704 r"""__repr__(AmbiguousNOERestraint self) -> std::string"""
3705 return _IMP_isd.AmbiguousNOERestraint___repr__(self)
3709 return _object_cast_to_AmbiguousNOERestraint(o)
3712 def _get_as_binary(self):
3713 r"""_get_as_binary(AmbiguousNOERestraint self) -> PyObject *"""
3714 return _IMP_isd.AmbiguousNOERestraint__get_as_binary(self)
3716 def _set_from_binary(self, p):
3717 r"""_set_from_binary(AmbiguousNOERestraint self, PyObject * p)"""
3718 return _IMP_isd.AmbiguousNOERestraint__set_from_binary(self, p)
3720 def __getstate__(self):
3721 p = self._get_as_binary()
3722 if len(self.__dict__) > 1:
3723 d = self.__dict__.copy()
3728 def __setstate__(self, p):
3729 if not hasattr(self,
'this'):
3731 if isinstance(p, tuple):
3733 self.__dict__.update(d)
3734 return self._set_from_binary(p)
3738 _IMP_isd.AmbiguousNOERestraint_swigregister(AmbiguousNOERestraint)
3740 r"""Proxy of C++ IMP::isd::MarginalNOERestraint class."""
3742 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3744 def __init__(self, m):
3745 r"""__init__(MarginalNOERestraint self, Model m) -> MarginalNOERestraint"""
3746 _IMP_isd.MarginalNOERestraint_swiginit(self, _IMP_isd.new_MarginalNOERestraint(m))
3748 def add_contribution(self, *args):
3750 add_contribution(MarginalNOERestraint self, Particle p1, Particle p2, double Iexp)
3751 add_contribution(MarginalNOERestraint self, PairContainer pc, double Iexp)
3753 return _IMP_isd.MarginalNOERestraint_add_contribution(self, *args)
3755 def get_log_gammahat(self):
3756 r"""get_log_gammahat(MarginalNOERestraint self) -> double"""
3757 return _IMP_isd.MarginalNOERestraint_get_log_gammahat(self)
3760 r"""get_SS(MarginalNOERestraint self) -> double"""
3761 return _IMP_isd.MarginalNOERestraint_get_SS(self)
3763 def get_number_of_contributions(self):
3764 r"""get_number_of_contributions(MarginalNOERestraint self) -> unsigned int"""
3765 return _IMP_isd.MarginalNOERestraint_get_number_of_contributions(self)
3767 def get_probability(self):
3768 r"""get_probability(MarginalNOERestraint self) -> double"""
3769 return _IMP_isd.MarginalNOERestraint_get_probability(self)
3772 r"""do_get_inputs(MarginalNOERestraint self) -> IMP::ModelObjectsTemp"""
3773 return _IMP_isd.MarginalNOERestraint_do_get_inputs(self)
3776 r"""get_version_info(MarginalNOERestraint self) -> VersionInfo"""
3777 return _IMP_isd.MarginalNOERestraint_get_version_info(self)
3778 __swig_destroy__ = _IMP_isd.delete_MarginalNOERestraint
3781 r"""__str__(MarginalNOERestraint self) -> std::string"""
3782 return _IMP_isd.MarginalNOERestraint___str__(self)
3785 r"""__repr__(MarginalNOERestraint self) -> std::string"""
3786 return _IMP_isd.MarginalNOERestraint___repr__(self)
3790 return _object_cast_to_MarginalNOERestraint(o)
3794 _IMP_isd.MarginalNOERestraint_swigregister(MarginalNOERestraint)
3796 r"""Proxy of C++ IMP::isd::MarginalHBondRestraint class."""
3798 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3800 def __init__(self, m):
3801 r"""__init__(MarginalHBondRestraint self, Model m) -> MarginalHBondRestraint"""
3802 _IMP_isd.MarginalHBondRestraint_swiginit(self, _IMP_isd.new_MarginalHBondRestraint(m))
3804 def add_contribution(self, *args):
3806 add_contribution(MarginalHBondRestraint self, Particle p1, Particle p2, double Iexp)
3807 add_contribution(MarginalHBondRestraint self, PairContainer pc, double Iexp)
3809 return _IMP_isd.MarginalHBondRestraint_add_contribution(self, *args)
3811 def get_logsquares(self):
3812 r"""get_logsquares(MarginalHBondRestraint self) -> double"""
3813 return _IMP_isd.MarginalHBondRestraint_get_logsquares(self)
3815 def get_number_of_contributions(self):
3816 r"""get_number_of_contributions(MarginalHBondRestraint self) -> unsigned int"""
3817 return _IMP_isd.MarginalHBondRestraint_get_number_of_contributions(self)
3819 def get_probability(self):
3820 r"""get_probability(MarginalHBondRestraint self) -> double"""
3821 return _IMP_isd.MarginalHBondRestraint_get_probability(self)
3824 r"""do_get_inputs(MarginalHBondRestraint self) -> IMP::ModelObjectsTemp"""
3825 return _IMP_isd.MarginalHBondRestraint_do_get_inputs(self)
3828 r"""get_version_info(MarginalHBondRestraint self) -> VersionInfo"""
3829 return _IMP_isd.MarginalHBondRestraint_get_version_info(self)
3830 __swig_destroy__ = _IMP_isd.delete_MarginalHBondRestraint
3833 r"""__str__(MarginalHBondRestraint self) -> std::string"""
3834 return _IMP_isd.MarginalHBondRestraint___str__(self)
3837 r"""__repr__(MarginalHBondRestraint self) -> std::string"""
3838 return _IMP_isd.MarginalHBondRestraint___repr__(self)
3842 return _object_cast_to_MarginalHBondRestraint(o)
3846 _IMP_isd.MarginalHBondRestraint_swigregister(MarginalHBondRestraint)
3848 r"""Proxy of C++ IMP::isd::TALOSRestraint class."""
3850 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3852 def __init__(self, *args):
3854 __init__(TALOSRestraint self, Model m, IMP::Particles p, IMP::Floats data, Particle kappa) -> TALOSRestraint
3855 __init__(TALOSRestraint self, Model m, Particle p1, Particle p2, Particle p3, Particle p4, IMP::Floats data, Particle kappa) -> TALOSRestraint
3856 __init__(TALOSRestraint self, Model m, IMP::Particles p, unsigned int N, double R0, double chiexp, Particle kappa) -> TALOSRestraint
3857 __init__(TALOSRestraint self, Model m, Particle p1, Particle p2, Particle p3, Particle p4, unsigned int N, double R0, double chiexp, Particle kappa) -> TALOSRestraint
3859 _IMP_isd.TALOSRestraint_swiginit(self, _IMP_isd.new_TALOSRestraint(*args))
3861 def get_probability(self):
3862 r"""get_probability(TALOSRestraint self) -> double"""
3863 return _IMP_isd.TALOSRestraint_get_probability(self)
3866 r"""get_R0(TALOSRestraint self) -> double"""
3867 return _IMP_isd.TALOSRestraint_get_R0(self)
3869 def get_chiexp(self):
3870 r"""get_chiexp(TALOSRestraint self) -> double"""
3871 return _IMP_isd.TALOSRestraint_get_chiexp(self)
3874 r"""do_get_inputs(TALOSRestraint self) -> IMP::ModelObjectsTemp"""
3875 return _IMP_isd.TALOSRestraint_do_get_inputs(self)
3878 r"""get_version_info(TALOSRestraint self) -> VersionInfo"""
3879 return _IMP_isd.TALOSRestraint_get_version_info(self)
3880 __swig_destroy__ = _IMP_isd.delete_TALOSRestraint
3883 r"""__str__(TALOSRestraint self) -> std::string"""
3884 return _IMP_isd.TALOSRestraint___str__(self)
3887 r"""__repr__(TALOSRestraint self) -> std::string"""
3888 return _IMP_isd.TALOSRestraint___repr__(self)
3892 return _object_cast_to_TALOSRestraint(o)
3896 _IMP_isd.TALOSRestraint_swigregister(TALOSRestraint)
3898 r"""Proxy of C++ IMP::isd::RepulsiveDistancePairScore class."""
3900 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3902 def __init__(self, d0, k):
3903 r"""__init__(RepulsiveDistancePairScore self, double d0, double k) -> RepulsiveDistancePairScore"""
3904 _IMP_isd.RepulsiveDistancePairScore_swiginit(self, _IMP_isd.new_RepulsiveDistancePairScore(d0, k))
3906 def get_rest_length(self):
3907 r"""get_rest_length(RepulsiveDistancePairScore self) -> double"""
3908 return _IMP_isd.RepulsiveDistancePairScore_get_rest_length(self)
3910 def get_stiffness(self):
3911 r"""get_stiffness(RepulsiveDistancePairScore self) -> double"""
3912 return _IMP_isd.RepulsiveDistancePairScore_get_stiffness(self)
3915 r"""do_get_inputs(RepulsiveDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3916 return _IMP_isd.RepulsiveDistancePairScore_do_get_inputs(self, m, pis)
3918 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
3919 r"""evaluate_indexes(RepulsiveDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=False) -> double"""
3920 return _IMP_isd.RepulsiveDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
3922 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
3923 r"""evaluate_indexes_scores(RepulsiveDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, unsigned int lower_bound, unsigned int upper_bound, DistBase score, bool all_indexes_checked=False) -> double"""
3924 return _IMP_isd.RepulsiveDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
3926 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
3927 r"""evaluate_indexes_delta(RepulsiveDistancePairScore self, Model m, IMP::ParticleIndexPairs const & p, DerivativeAccumulator da, std::vector< unsigned int,std::allocator< unsigned int > > const & indexes, DistBase score, bool all_indexes_checked=False) -> double"""
3928 return _IMP_isd.RepulsiveDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
3930 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
3931 r"""evaluate_if_good_indexes(RepulsiveDistancePairScore 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"""
3932 return _IMP_isd.RepulsiveDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
3935 r"""get_version_info(RepulsiveDistancePairScore self) -> VersionInfo"""
3936 return _IMP_isd.RepulsiveDistancePairScore_get_version_info(self)
3937 __swig_destroy__ = _IMP_isd.delete_RepulsiveDistancePairScore
3940 r"""__str__(RepulsiveDistancePairScore self) -> std::string"""
3941 return _IMP_isd.RepulsiveDistancePairScore___str__(self)
3944 r"""__repr__(RepulsiveDistancePairScore self) -> std::string"""
3945 return _IMP_isd.RepulsiveDistancePairScore___repr__(self)
3949 return _object_cast_to_RepulsiveDistancePairScore(o)
3953 _IMP_isd.RepulsiveDistancePairScore_swigregister(RepulsiveDistancePairScore)
3955 r"""Proxy of C++ IMP::isd::AmbiguousRestraint class."""
3957 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3959 def __init__(self, *args):
3961 __init__(AmbiguousRestraint self, Model m, int d, Restraint r0, Restraint r1) -> AmbiguousRestraint
3962 __init__(AmbiguousRestraint self, Model m, int d, IMP::Restraints rs) -> AmbiguousRestraint
3963 __init__(AmbiguousRestraint self) -> AmbiguousRestraint
3965 _IMP_isd.AmbiguousRestraint_swiginit(self, _IMP_isd.new_AmbiguousRestraint(*args))
3967 def get_probability(self):
3968 r"""get_probability(AmbiguousRestraint self) -> double"""
3969 return _IMP_isd.AmbiguousRestraint_get_probability(self)
3972 r"""do_get_inputs(AmbiguousRestraint self) -> IMP::ModelObjectsTemp"""
3973 return _IMP_isd.AmbiguousRestraint_do_get_inputs(self)
3976 r"""get_version_info(AmbiguousRestraint self) -> VersionInfo"""
3977 return _IMP_isd.AmbiguousRestraint_get_version_info(self)
3978 __swig_destroy__ = _IMP_isd.delete_AmbiguousRestraint
3981 r"""__str__(AmbiguousRestraint self) -> std::string"""
3982 return _IMP_isd.AmbiguousRestraint___str__(self)
3985 r"""__repr__(AmbiguousRestraint self) -> std::string"""
3986 return _IMP_isd.AmbiguousRestraint___repr__(self)
3990 return _object_cast_to_AmbiguousRestraint(o)
3993 def _get_as_binary(self):
3994 r"""_get_as_binary(AmbiguousRestraint self) -> PyObject *"""
3995 return _IMP_isd.AmbiguousRestraint__get_as_binary(self)
3997 def _set_from_binary(self, p):
3998 r"""_set_from_binary(AmbiguousRestraint self, PyObject * p)"""
3999 return _IMP_isd.AmbiguousRestraint__set_from_binary(self, p)
4001 def __getstate__(self):
4002 p = self._get_as_binary()
4003 if len(self.__dict__) > 1:
4004 d = self.__dict__.copy()
4009 def __setstate__(self, p):
4010 if not hasattr(self,
'this'):
4012 if isinstance(p, tuple):
4014 self.__dict__.update(d)
4015 return self._set_from_binary(p)
4019 _IMP_isd.AmbiguousRestraint_swigregister(AmbiguousRestraint)
4020 IMP_ISD_UNIVARIATE_FUNCTIONS_MINIMUM = _IMP_isd.IMP_ISD_UNIVARIATE_FUNCTIONS_MINIMUM
4023 r"""Proxy of C++ IMP::isd::UnivariateFunction class."""
4025 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4027 def __init__(self, *args, **kwargs):
4028 raise AttributeError(
"No constructor defined - class is abstract")
4030 def __call__(self, *args):
4032 __call__(UnivariateFunction self, IMP::Floats const & x) -> IMP::Floats
4033 __call__(UnivariateFunction self, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4034 __call__(UnivariateFunction self, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4036 return _IMP_isd.UnivariateFunction___call__(self, *args)
4038 def has_changed(self):
4039 r"""has_changed(UnivariateFunction self) -> bool"""
4040 return _IMP_isd.UnivariateFunction_has_changed(self)
4043 r"""update(UnivariateFunction self)"""
4044 return _IMP_isd.UnivariateFunction_update(self)
4046 def add_to_derivatives(self, x, accum):
4047 r"""add_to_derivatives(UnivariateFunction self, IMP::Floats const & x, DerivativeAccumulator accum)"""
4048 return _IMP_isd.UnivariateFunction_add_to_derivatives(self, x, accum)
4050 def add_to_particle_derivative(self, particle_no, value, accum):
4051 r"""add_to_particle_derivative(UnivariateFunction self, unsigned int particle_no, double value, DerivativeAccumulator accum)"""
4052 return _IMP_isd.UnivariateFunction_add_to_particle_derivative(self, particle_no, value, accum)
4054 def get_derivative_vector(self, particle_no, xlist):
4055 r"""get_derivative_vector(UnivariateFunction self, unsigned int particle_no, IMP::FloatsList const & xlist) -> Eigen::VectorXd"""
4056 return _IMP_isd.UnivariateFunction_get_derivative_vector(self, particle_no, xlist)
4058 def get_derivative_matrix(self, xlist, stupid):
4059 r"""get_derivative_matrix(UnivariateFunction self, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList"""
4060 return _IMP_isd.UnivariateFunction_get_derivative_matrix(self, xlist, stupid)
4062 def get_second_derivative_vector(self, *args):
4064 get_second_derivative_vector(UnivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4065 get_second_derivative_vector(UnivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4067 return _IMP_isd.UnivariateFunction_get_second_derivative_vector(self, *args)
4069 def get_ndims_x(self):
4070 r"""get_ndims_x(UnivariateFunction self) -> unsigned int"""
4071 return _IMP_isd.UnivariateFunction_get_ndims_x(self)
4073 def get_ndims_y(self):
4074 r"""get_ndims_y(UnivariateFunction self) -> unsigned int"""
4075 return _IMP_isd.UnivariateFunction_get_ndims_y(self)
4077 def get_number_of_particles(self):
4078 r"""get_number_of_particles(UnivariateFunction self) -> unsigned int"""
4079 return _IMP_isd.UnivariateFunction_get_number_of_particles(self)
4081 def get_particle_is_optimized(self, particle_no):
4082 r"""get_particle_is_optimized(UnivariateFunction self, unsigned int particle_no) -> bool"""
4083 return _IMP_isd.UnivariateFunction_get_particle_is_optimized(self, particle_no)
4085 def get_number_of_optimized_particles(self):
4086 r"""get_number_of_optimized_particles(UnivariateFunction self) -> unsigned int"""
4087 return _IMP_isd.UnivariateFunction_get_number_of_optimized_particles(self)
4090 r"""get_inputs(UnivariateFunction self) -> IMP::ModelObjectsTemp"""
4091 return _IMP_isd.UnivariateFunction_get_inputs(self)
4092 __swig_destroy__ = _IMP_isd.delete_UnivariateFunction
4095 r"""__str__(UnivariateFunction self) -> std::string"""
4096 return _IMP_isd.UnivariateFunction___str__(self)
4099 r"""__repr__(UnivariateFunction self) -> std::string"""
4100 return _IMP_isd.UnivariateFunction___repr__(self)
4104 return _object_cast_to_UnivariateFunction(o)
4108 _IMP_isd.UnivariateFunction_swigregister(UnivariateFunction)
4109 class Linear1DFunction(UnivariateFunction):
4110 r"""Proxy of C++ IMP::isd::Linear1DFunction class."""
4112 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4114 def __init__(self, a, b):
4115 r"""__init__(Linear1DFunction self, Particle a, Particle b) -> Linear1DFunction"""
4116 _IMP_isd.Linear1DFunction_swiginit(self, _IMP_isd.new_Linear1DFunction(a, b))
4118 def __call__(self, *args):
4120 __call__(Linear1DFunction self, IMP::Floats const & x) -> IMP::Floats
4121 __call__(Linear1DFunction self, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4122 __call__(Linear1DFunction self, IMP::FloatsList const & xlist, bool arg3) -> IMP::FloatsList
4124 return _IMP_isd.Linear1DFunction___call__(self, *args)
4126 def get_second_derivative_vector(self, *args):
4128 get_second_derivative_vector(Linear1DFunction self, unsigned int arg2, unsigned int arg3, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4129 get_second_derivative_vector(Linear1DFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool arg5) -> IMP::FloatsList
4131 return _IMP_isd.Linear1DFunction_get_second_derivative_vector(self, *args)
4134 r"""get_version_info(Linear1DFunction self) -> VersionInfo"""
4135 return _IMP_isd.Linear1DFunction_get_version_info(self)
4136 __swig_destroy__ = _IMP_isd.delete_Linear1DFunction
4139 r"""__str__(Linear1DFunction self) -> std::string"""
4140 return _IMP_isd.Linear1DFunction___str__(self)
4143 r"""__repr__(Linear1DFunction self) -> std::string"""
4144 return _IMP_isd.Linear1DFunction___repr__(self)
4148 return _object_cast_to_Linear1DFunction(o)
4152 _IMP_isd.Linear1DFunction_swigregister(Linear1DFunction)
4153 class GeneralizedGuinierPorodFunction(UnivariateFunction):
4154 r"""Proxy of C++ IMP::isd::GeneralizedGuinierPorodFunction class."""
4156 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4158 def __init__(self, G, Rg, d, s, A):
4159 r"""__init__(GeneralizedGuinierPorodFunction self, Particle G, Particle Rg, Particle d, Particle s, Particle A) -> GeneralizedGuinierPorodFunction"""
4160 _IMP_isd.GeneralizedGuinierPorodFunction_swiginit(self, _IMP_isd.new_GeneralizedGuinierPorodFunction(G, Rg, d, s, A))
4162 def __call__(self, *args):
4164 __call__(GeneralizedGuinierPorodFunction self, IMP::Floats const & x) -> IMP::Floats
4165 __call__(GeneralizedGuinierPorodFunction self, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4166 __call__(GeneralizedGuinierPorodFunction self, IMP::FloatsList const & xlist, bool arg3) -> IMP::FloatsList
4168 return _IMP_isd.GeneralizedGuinierPorodFunction___call__(self, *args)
4170 def get_second_derivative_vector(self, *args):
4172 get_second_derivative_vector(GeneralizedGuinierPorodFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4173 get_second_derivative_vector(GeneralizedGuinierPorodFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool arg5) -> IMP::FloatsList
4175 return _IMP_isd.GeneralizedGuinierPorodFunction_get_second_derivative_vector(self, *args)
4178 r"""get_version_info(GeneralizedGuinierPorodFunction self) -> VersionInfo"""
4179 return _IMP_isd.GeneralizedGuinierPorodFunction_get_version_info(self)
4180 __swig_destroy__ = _IMP_isd.delete_GeneralizedGuinierPorodFunction
4183 r"""__str__(GeneralizedGuinierPorodFunction self) -> std::string"""
4184 return _IMP_isd.GeneralizedGuinierPorodFunction___str__(self)
4187 r"""__repr__(GeneralizedGuinierPorodFunction self) -> std::string"""
4188 return _IMP_isd.GeneralizedGuinierPorodFunction___repr__(self)
4192 return _object_cast_to_GeneralizedGuinierPorodFunction(o)
4196 _IMP_isd.GeneralizedGuinierPorodFunction_swigregister(GeneralizedGuinierPorodFunction)
4197 IMP_ISD_BIVARIATE_FUNCTIONS_MINIMUM = _IMP_isd.IMP_ISD_BIVARIATE_FUNCTIONS_MINIMUM
4200 r"""Proxy of C++ IMP::isd::BivariateFunction class."""
4202 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4204 def __init__(self, *args, **kwargs):
4205 raise AttributeError(
"No constructor defined - class is abstract")
4207 def __call__(self, *args):
4209 __call__(BivariateFunction self, IMP::Floats const & x1, IMP::Floats const & x2) -> IMP::Floats
4210 __call__(BivariateFunction self, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4211 __call__(BivariateFunction self, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4213 return _IMP_isd.BivariateFunction___call__(self, *args)
4215 def has_changed(self):
4216 r"""has_changed(BivariateFunction self) -> bool"""
4217 return _IMP_isd.BivariateFunction_has_changed(self)
4220 r"""update(BivariateFunction self)"""
4221 return _IMP_isd.BivariateFunction_update(self)
4223 def add_to_derivatives(self, x1, x2, accum):
4224 r"""add_to_derivatives(BivariateFunction self, IMP::Floats const & x1, IMP::Floats const & x2, DerivativeAccumulator accum)"""
4225 return _IMP_isd.BivariateFunction_add_to_derivatives(self, x1, x2, accum)
4227 def add_to_particle_derivative(self, particle_no, value, accum):
4228 r"""add_to_particle_derivative(BivariateFunction self, unsigned int particle_no, double value, DerivativeAccumulator accum)"""
4229 return _IMP_isd.BivariateFunction_add_to_particle_derivative(self, particle_no, value, accum)
4231 def get_derivative_matrix(self, *args):
4233 get_derivative_matrix(BivariateFunction self, unsigned int particle_no, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4234 get_derivative_matrix(BivariateFunction self, unsigned int particle_no, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4236 return _IMP_isd.BivariateFunction_get_derivative_matrix(self, *args)
4238 def get_second_derivative_matrix(self, *args):
4240 get_second_derivative_matrix(BivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4241 get_second_derivative_matrix(BivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4243 return _IMP_isd.BivariateFunction_get_second_derivative_matrix(self, *args)
4245 def get_ndims_x1(self):
4246 r"""get_ndims_x1(BivariateFunction self) -> unsigned int"""
4247 return _IMP_isd.BivariateFunction_get_ndims_x1(self)
4249 def get_ndims_x2(self):
4250 r"""get_ndims_x2(BivariateFunction self) -> unsigned int"""
4251 return _IMP_isd.BivariateFunction_get_ndims_x2(self)
4253 def get_ndims_y(self):
4254 r"""get_ndims_y(BivariateFunction self) -> unsigned int"""
4255 return _IMP_isd.BivariateFunction_get_ndims_y(self)
4257 def get_number_of_particles(self):
4258 r"""get_number_of_particles(BivariateFunction self) -> unsigned int"""
4259 return _IMP_isd.BivariateFunction_get_number_of_particles(self)
4261 def get_particle_is_optimized(self, particle_no):
4262 r"""get_particle_is_optimized(BivariateFunction self, unsigned int particle_no) -> bool"""
4263 return _IMP_isd.BivariateFunction_get_particle_is_optimized(self, particle_no)
4265 def get_number_of_optimized_particles(self):
4266 r"""get_number_of_optimized_particles(BivariateFunction self) -> unsigned int"""
4267 return _IMP_isd.BivariateFunction_get_number_of_optimized_particles(self)
4270 r"""get_inputs(BivariateFunction self) -> IMP::ModelObjectsTemp"""
4271 return _IMP_isd.BivariateFunction_get_inputs(self)
4272 __swig_destroy__ = _IMP_isd.delete_BivariateFunction
4275 r"""__str__(BivariateFunction self) -> std::string"""
4276 return _IMP_isd.BivariateFunction___str__(self)
4279 r"""__repr__(BivariateFunction self) -> std::string"""
4280 return _IMP_isd.BivariateFunction___repr__(self)
4284 return _object_cast_to_BivariateFunction(o)
4288 _IMP_isd.BivariateFunction_swigregister(BivariateFunction)
4289 class Covariance1DFunction(BivariateFunction):
4290 r"""Proxy of C++ IMP::isd::Covariance1DFunction class."""
4292 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4294 def __init__(self, tau, ilambda, alpha=2.0, jitter=0.0, cutoff=1e-7):
4295 r"""__init__(Covariance1DFunction self, Particle tau, Particle ilambda, double alpha=2.0, double jitter=0.0, double cutoff=1e-7) -> Covariance1DFunction"""
4296 _IMP_isd.Covariance1DFunction_swiginit(self, _IMP_isd.new_Covariance1DFunction(tau, ilambda, alpha, jitter, cutoff))
4298 def __call__(self, *args):
4300 __call__(Covariance1DFunction self, IMP::Floats const & x1, IMP::Floats const & x2) -> IMP::Floats
4301 __call__(Covariance1DFunction self, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4302 __call__(Covariance1DFunction self, IMP::FloatsList const & xlist, bool arg3) -> IMP::FloatsList
4304 return _IMP_isd.Covariance1DFunction___call__(self, *args)
4306 def get_derivative_matrix(self, *args):
4308 get_derivative_matrix(Covariance1DFunction self, unsigned int particle_no, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4309 get_derivative_matrix(Covariance1DFunction self, unsigned int particle_no, IMP::FloatsList const & xlist, bool arg4) -> IMP::FloatsList
4311 return _IMP_isd.Covariance1DFunction_get_derivative_matrix(self, *args)
4313 def get_second_derivative_matrix(self, *args):
4315 get_second_derivative_matrix(Covariance1DFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4316 get_second_derivative_matrix(Covariance1DFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool arg5) -> IMP::FloatsList
4318 return _IMP_isd.Covariance1DFunction_get_second_derivative_matrix(self, *args)
4321 r"""get_version_info(Covariance1DFunction self) -> VersionInfo"""
4322 return _IMP_isd.Covariance1DFunction_get_version_info(self)
4323 __swig_destroy__ = _IMP_isd.delete_Covariance1DFunction
4326 r"""__str__(Covariance1DFunction self) -> std::string"""
4327 return _IMP_isd.Covariance1DFunction___str__(self)
4330 r"""__repr__(Covariance1DFunction self) -> std::string"""
4331 return _IMP_isd.Covariance1DFunction___repr__(self)
4335 return _object_cast_to_Covariance1DFunction(o)
4339 _IMP_isd.Covariance1DFunction_swigregister(Covariance1DFunction)
4340 class GaussianProcessInterpolation(
IMP.Object):
4341 r"""Proxy of C++ IMP::isd::GaussianProcessInterpolation class."""
4343 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4345 def __init__(self, x, sample_mean, sample_std, n_obs, mean_function, covariance_function, sigma, sparse_cutoff=1e-7):
4346 r"""__init__(GaussianProcessInterpolation self, IMP::FloatsList x, IMP::Floats sample_mean, IMP::Floats sample_std, unsigned int n_obs, UnivariateFunction mean_function, BivariateFunction covariance_function, Particle sigma, double sparse_cutoff=1e-7) -> GaussianProcessInterpolation"""
4347 _IMP_isd.GaussianProcessInterpolation_swiginit(self, _IMP_isd.new_GaussianProcessInterpolation(x, sample_mean, sample_std, n_obs, mean_function, covariance_function, sigma, sparse_cutoff))
4349 def get_posterior_mean(self, x):
4350 r"""get_posterior_mean(GaussianProcessInterpolation self, IMP::Floats x) -> double"""
4351 return _IMP_isd.GaussianProcessInterpolation_get_posterior_mean(self, x)
4353 def get_posterior_covariance(self, x1, x2):
4354 r"""get_posterior_covariance(GaussianProcessInterpolation self, IMP::Floats x1, IMP::Floats x2) -> double"""
4355 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance(self, x1, x2)
4357 def get_posterior_covariance_matrix(self, x, arg3):
4358 r"""get_posterior_covariance_matrix(GaussianProcessInterpolation self, IMP::FloatsList x, bool arg3) -> IMP::FloatsList"""
4359 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance_matrix(self, x, arg3)
4361 def get_posterior_covariance_derivative(self, x, arg3):
4362 r"""get_posterior_covariance_derivative(GaussianProcessInterpolation self, IMP::Floats x, bool arg3) -> IMP::Floats"""
4363 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance_derivative(self, x, arg3)
4365 def get_posterior_covariance_hessian(self, x, arg3):
4366 r"""get_posterior_covariance_hessian(GaussianProcessInterpolation self, IMP::Floats x, bool arg3) -> IMP::FloatsList"""
4367 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance_hessian(self, x, arg3)
4370 r"""get_inputs(GaussianProcessInterpolation self) -> IMP::ModelObjectsTemp"""
4371 return _IMP_isd.GaussianProcessInterpolation_get_inputs(self)
4373 def force_mean_update(self):
4374 r"""force_mean_update(GaussianProcessInterpolation self)"""
4375 return _IMP_isd.GaussianProcessInterpolation_force_mean_update(self)
4377 def force_covariance_update(self):
4378 r"""force_covariance_update(GaussianProcessInterpolation self)"""
4379 return _IMP_isd.GaussianProcessInterpolation_force_covariance_update(self)
4381 def get_number_of_m_particles(self):
4382 r"""get_number_of_m_particles(GaussianProcessInterpolation self) -> unsigned int"""
4383 return _IMP_isd.GaussianProcessInterpolation_get_number_of_m_particles(self)
4385 def get_m_particle_is_optimized(self, i):
4386 r"""get_m_particle_is_optimized(GaussianProcessInterpolation self, unsigned int i) -> bool"""
4387 return _IMP_isd.GaussianProcessInterpolation_get_m_particle_is_optimized(self, i)
4389 def get_number_of_Omega_particles(self):
4390 r"""get_number_of_Omega_particles(GaussianProcessInterpolation self) -> unsigned int"""
4391 return _IMP_isd.GaussianProcessInterpolation_get_number_of_Omega_particles(self)
4393 def get_Omega_particle_is_optimized(self, i):
4394 r"""get_Omega_particle_is_optimized(GaussianProcessInterpolation self, unsigned int i) -> bool"""
4395 return _IMP_isd.GaussianProcessInterpolation_get_Omega_particle_is_optimized(self, i)
4397 def get_data_abscissa(self):
4398 r"""get_data_abscissa(GaussianProcessInterpolation self) -> IMP::FloatsList"""
4399 return _IMP_isd.GaussianProcessInterpolation_get_data_abscissa(self)
4401 def get_data_mean(self):
4402 r"""get_data_mean(GaussianProcessInterpolation self) -> IMP::Floats"""
4403 return _IMP_isd.GaussianProcessInterpolation_get_data_mean(self)
4405 def get_data_variance(self):
4406 r"""get_data_variance(GaussianProcessInterpolation self) -> IMP::FloatsList"""
4407 return _IMP_isd.GaussianProcessInterpolation_get_data_variance(self)
4410 r"""get_version_info(GaussianProcessInterpolation self) -> VersionInfo"""
4411 return _IMP_isd.GaussianProcessInterpolation_get_version_info(self)
4412 __swig_destroy__ = _IMP_isd.delete_GaussianProcessInterpolation
4415 r"""__str__(GaussianProcessInterpolation self) -> std::string"""
4416 return _IMP_isd.GaussianProcessInterpolation___str__(self)
4419 r"""__repr__(GaussianProcessInterpolation self) -> std::string"""
4420 return _IMP_isd.GaussianProcessInterpolation___repr__(self)
4424 return _object_cast_to_GaussianProcessInterpolation(o)
4428 _IMP_isd.GaussianProcessInterpolation_swigregister(GaussianProcessInterpolation)
4430 r"""Proxy of C++ IMP::isd::GaussianProcessInterpolationRestraint class."""
4432 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4434 def __init__(self, m, gpi):
4435 r"""__init__(GaussianProcessInterpolationRestraint self, Model m, GaussianProcessInterpolation gpi) -> GaussianProcessInterpolationRestraint"""
4436 _IMP_isd.GaussianProcessInterpolationRestraint_swiginit(self, _IMP_isd.new_GaussianProcessInterpolationRestraint(m, gpi))
4438 def get_probability(self):
4439 r"""get_probability(GaussianProcessInterpolationRestraint self) -> double"""
4440 return _IMP_isd.GaussianProcessInterpolationRestraint_get_probability(self)
4442 def set_use_cg(self, use, tol):
4443 r"""set_use_cg(GaussianProcessInterpolationRestraint self, bool use, double tol)"""
4444 return _IMP_isd.GaussianProcessInterpolationRestraint_set_use_cg(self, use, tol)
4446 def get_minus_log_normalization(self):
4447 r"""get_minus_log_normalization(GaussianProcessInterpolationRestraint self) -> double"""
4448 return _IMP_isd.GaussianProcessInterpolationRestraint_get_minus_log_normalization(self)
4450 def get_minus_exponent(self):
4451 r"""get_minus_exponent(GaussianProcessInterpolationRestraint self) -> double"""
4452 return _IMP_isd.GaussianProcessInterpolationRestraint_get_minus_exponent(self)
4454 def get_logdet_hessian(self):
4455 r"""get_logdet_hessian(GaussianProcessInterpolationRestraint self) -> double"""
4456 return _IMP_isd.GaussianProcessInterpolationRestraint_get_logdet_hessian(self)
4458 def get_hessian(self, *args):
4460 get_hessian(GaussianProcessInterpolationRestraint self) -> Eigen::MatrixXd
4461 get_hessian(GaussianProcessInterpolationRestraint self, bool unused) -> IMP::FloatsList
4463 return _IMP_isd.GaussianProcessInterpolationRestraint_get_hessian(self, *args)
4466 r"""do_get_inputs(GaussianProcessInterpolationRestraint self) -> IMP::ModelObjectsTemp"""
4467 return _IMP_isd.GaussianProcessInterpolationRestraint_do_get_inputs(self)
4470 r"""get_version_info(GaussianProcessInterpolationRestraint self) -> VersionInfo"""
4471 return _IMP_isd.GaussianProcessInterpolationRestraint_get_version_info(self)
4472 __swig_destroy__ = _IMP_isd.delete_GaussianProcessInterpolationRestraint
4475 r"""__str__(GaussianProcessInterpolationRestraint self) -> std::string"""
4476 return _IMP_isd.GaussianProcessInterpolationRestraint___str__(self)
4479 r"""__repr__(GaussianProcessInterpolationRestraint self) -> std::string"""
4480 return _IMP_isd.GaussianProcessInterpolationRestraint___repr__(self)
4484 return _object_cast_to_GaussianProcessInterpolationRestraint(o)
4488 _IMP_isd.GaussianProcessInterpolationRestraint_swigregister(GaussianProcessInterpolationRestraint)
4490 r"""Proxy of C++ IMP::isd::MolecularDynamics class."""
4492 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4494 def __init__(self, m=None):
4495 r"""__init__(MolecularDynamics self, Model m=None) -> MolecularDynamics"""
4496 _IMP_isd.MolecularDynamics_swiginit(self, _IMP_isd.new_MolecularDynamics(m))
4499 r"""__str__(MolecularDynamics self) -> std::string"""
4500 return _IMP_isd.MolecularDynamics___str__(self)
4503 r"""__repr__(MolecularDynamics self) -> std::string"""
4504 return _IMP_isd.MolecularDynamics___repr__(self)
4508 return _object_cast_to_MolecularDynamics(o)
4510 __swig_destroy__ = _IMP_isd.delete_MolecularDynamics
4513 _IMP_isd.MolecularDynamics_swigregister(MolecularDynamics)
4515 r"""Proxy of C++ IMP::isd::MolecularDynamicsMover class."""
4517 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4519 def __init__(self, m, nsteps=100, timestep=1.):
4520 r"""__init__(MolecularDynamicsMover self, Model m, unsigned int nsteps=100, IMP::Float timestep=1.) -> MolecularDynamicsMover"""
4521 _IMP_isd.MolecularDynamicsMover_swiginit(self, _IMP_isd.new_MolecularDynamicsMover(m, nsteps, timestep))
4524 r"""get_md(MolecularDynamicsMover self) -> MolecularDynamics"""
4525 return _IMP_isd.MolecularDynamicsMover_get_md(self)
4527 def get_number_of_md_steps(self):
4528 r"""get_number_of_md_steps(MolecularDynamicsMover self) -> unsigned int"""
4529 return _IMP_isd.MolecularDynamicsMover_get_number_of_md_steps(self)
4531 def set_number_of_md_steps(self, nsteps):
4532 r"""set_number_of_md_steps(MolecularDynamicsMover self, unsigned int nsteps)"""
4533 return _IMP_isd.MolecularDynamicsMover_set_number_of_md_steps(self, nsteps)
4536 r"""get_version_info(MolecularDynamicsMover self) -> VersionInfo"""
4537 return _IMP_isd.MolecularDynamicsMover_get_version_info(self)
4538 __swig_destroy__ = _IMP_isd.delete_MolecularDynamicsMover
4541 r"""__str__(MolecularDynamicsMover self) -> std::string"""
4542 return _IMP_isd.MolecularDynamicsMover___str__(self)
4545 r"""__repr__(MolecularDynamicsMover self) -> std::string"""
4546 return _IMP_isd.MolecularDynamicsMover___repr__(self)
4550 return _object_cast_to_MolecularDynamicsMover(o)
4554 _IMP_isd.MolecularDynamicsMover_swigregister(MolecularDynamicsMover)
4556 r"""Proxy of C++ IMP::isd::HybridMonteCarlo class."""
4558 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4560 def __init__(self, m, kT=1.0, steps=100, timestep=1.0, persistence=1):
4561 r"""__init__(HybridMonteCarlo self, Model m, IMP::Float kT=1.0, unsigned int steps=100, IMP::Float timestep=1.0, unsigned int persistence=1) -> HybridMonteCarlo"""
4562 _IMP_isd.HybridMonteCarlo_swiginit(self, _IMP_isd.new_HybridMonteCarlo(m, kT, steps, timestep, persistence))
4564 def get_kinetic_energy(self):
4565 r"""get_kinetic_energy(HybridMonteCarlo self) -> IMP::Float"""
4566 return _IMP_isd.HybridMonteCarlo_get_kinetic_energy(self)
4568 def get_potential_energy(self):
4569 r"""get_potential_energy(HybridMonteCarlo self) -> IMP::Float"""
4570 return _IMP_isd.HybridMonteCarlo_get_potential_energy(self)
4572 def get_total_energy(self):
4573 r"""get_total_energy(HybridMonteCarlo self) -> IMP::Float"""
4574 return _IMP_isd.HybridMonteCarlo_get_total_energy(self)
4576 def set_timestep(self, ts):
4577 r"""set_timestep(HybridMonteCarlo self, IMP::Float ts)"""
4578 return _IMP_isd.HybridMonteCarlo_set_timestep(self, ts)
4580 def get_timestep(self):
4581 r"""get_timestep(HybridMonteCarlo self) -> double"""
4582 return _IMP_isd.HybridMonteCarlo_get_timestep(self)
4584 def set_number_of_md_steps(self, nsteps):
4585 r"""set_number_of_md_steps(HybridMonteCarlo self, unsigned int nsteps)"""
4586 return _IMP_isd.HybridMonteCarlo_set_number_of_md_steps(self, nsteps)
4588 def get_number_of_md_steps(self):
4589 r"""get_number_of_md_steps(HybridMonteCarlo self) -> unsigned int"""
4590 return _IMP_isd.HybridMonteCarlo_get_number_of_md_steps(self)
4592 def set_persistence(self, persistence=1):
4593 r"""set_persistence(HybridMonteCarlo self, unsigned int persistence=1)"""
4594 return _IMP_isd.HybridMonteCarlo_set_persistence(self, persistence)
4596 def get_persistence(self):
4597 r"""get_persistence(HybridMonteCarlo self) -> unsigned int"""
4598 return _IMP_isd.HybridMonteCarlo_get_persistence(self)
4601 r"""get_md(HybridMonteCarlo self) -> MolecularDynamics"""
4602 return _IMP_isd.HybridMonteCarlo_get_md(self)
4604 def do_evaluate(self, arg2, arg3):
4605 r"""do_evaluate(HybridMonteCarlo self, IMP::ParticleIndexes const & arg2, bool arg3) -> double"""
4606 return _IMP_isd.HybridMonteCarlo_do_evaluate(self, arg2, arg3)
4609 r"""do_step(HybridMonteCarlo self)"""
4610 return _IMP_isd.HybridMonteCarlo_do_step(self)
4611 __swig_destroy__ = _IMP_isd.delete_HybridMonteCarlo
4614 r"""__str__(HybridMonteCarlo self) -> std::string"""
4615 return _IMP_isd.HybridMonteCarlo___str__(self)
4618 r"""__repr__(HybridMonteCarlo self) -> std::string"""
4619 return _IMP_isd.HybridMonteCarlo___repr__(self)
4623 return _object_cast_to_HybridMonteCarlo(o)
4627 _IMP_isd.HybridMonteCarlo_swigregister(HybridMonteCarlo)
4629 r"""Proxy of C++ IMP::isd::FretData class."""
4631 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4633 def __init__(self, *args):
4635 __init__(FretData self, IMP::Floats d_term, IMP::Floats d_center, IMP::Floats d_int, IMP::Floats s_grid, IMP::Float R0, IMP::Float Rmin, IMP::Float Rmax, bool do_limit=True) -> FretData
4636 __init__(FretData self) -> FretData
4638 _IMP_isd.FretData_swiginit(self, _IMP_isd.new_FretData(*args))
4640 def get_closest(self, vec, value):
4641 r"""get_closest(FretData self, DistBase vec, double value) -> int"""
4642 return _IMP_isd.FretData_get_closest(self, vec, value)
4644 def get_probability(self, distn, dist, sigma):
4645 r"""get_probability(FretData self, IMP::Float distn, IMP::Float dist, IMP::Float sigma) -> IMP::Float"""
4646 return _IMP_isd.FretData_get_probability(self, distn, dist, sigma)
4648 def get_kernel(self, dist, R0):
4649 r"""get_kernel(FretData self, IMP::Float dist, IMP::Float R0) -> IMP::Float"""
4650 return _IMP_isd.FretData_get_kernel(self, dist, R0)
4652 def get_marginal_element(self, d_term, d_center, sigma):
4653 r"""get_marginal_element(FretData self, IMP::Float d_term, IMP::Float d_center, IMP::Float sigma) -> IMP::FloatPair"""
4654 return _IMP_isd.FretData_get_marginal_element(self, d_term, d_center, sigma)
4657 r"""get_version_info(FretData self) -> VersionInfo"""
4658 return _IMP_isd.FretData_get_version_info(self)
4659 __swig_destroy__ = _IMP_isd.delete_FretData
4662 r"""__str__(FretData self) -> std::string"""
4663 return _IMP_isd.FretData___str__(self)
4666 r"""__repr__(FretData self) -> std::string"""
4667 return _IMP_isd.FretData___repr__(self)
4671 return _object_cast_to_FretData(o)
4674 def _get_as_binary(self):
4675 r"""_get_as_binary(FretData self) -> PyObject *"""
4676 return _IMP_isd.FretData__get_as_binary(self)
4678 def _set_from_binary(self, p):
4679 r"""_set_from_binary(FretData self, PyObject * p)"""
4680 return _IMP_isd.FretData__set_from_binary(self, p)
4682 def __getstate__(self):
4683 p = self._get_as_binary()
4684 if len(self.__dict__) > 1:
4685 d = self.__dict__.copy()
4690 def __setstate__(self, p):
4691 if not hasattr(self,
'this'):
4693 if isinstance(p, tuple):
4695 self.__dict__.update(d)
4696 return self._set_from_binary(p)
4700 _IMP_isd.FretData_swigregister(FretData)
4702 r"""Proxy of C++ IMP::isd::FretRestraint class."""
4704 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4706 def __init__(self, *args):
4708 __init__(FretRestraint self, IMP::ParticlesTemp pd, IMP::ParticlesTemp pa, Particle kda, Particle Ida, Particle R0, Particle sigma0, Particle Pbl, double fexp, double m_d=1.0, double m_a=1.0) -> FretRestraint
4709 __init__(FretRestraint self, Particle kda, Particle Ida, Particle sumFi, Particle sigma0, Particle Pbl, double fexp) -> FretRestraint
4710 __init__(FretRestraint self, Particle prd, Vector3D GMMterd, IMP::algebra::Vector3Ds GMMctrd, IMP::Floats GMMwd, IMP::Floats GMMsigd, Particle pra, Vector3D GMMtera, IMP::algebra::Vector3Ds GMMctra, IMP::Floats GMMwa, IMP::Floats GMMsiga, Particle kda, Particle Ida, Particle sigma0, Particle Pbl, FretData data, double fexp) -> FretRestraint
4711 __init__(FretRestraint self) -> FretRestraint
4713 _IMP_isd.FretRestraint_swiginit(self, _IMP_isd.new_FretRestraint(*args))
4715 def get_sumFi(self):
4716 r"""get_sumFi(FretRestraint self) -> double"""
4717 return _IMP_isd.FretRestraint_get_sumFi(self)
4719 def get_average_sigma(self, fmod):
4720 r"""get_average_sigma(FretRestraint self, double fmod) -> double"""
4721 return _IMP_isd.FretRestraint_get_average_sigma(self, fmod)
4723 def get_standard_error(self):
4724 r"""get_standard_error(FretRestraint self) -> double"""
4725 return _IMP_isd.FretRestraint_get_standard_error(self)
4727 def get_model_fretr(self):
4728 r"""get_model_fretr(FretRestraint self) -> double"""
4729 return _IMP_isd.FretRestraint_get_model_fretr(self)
4731 def get_probability(self):
4732 r"""get_probability(FretRestraint self) -> double"""
4733 return _IMP_isd.FretRestraint_get_probability(self)
4735 def get_experimental_value(self):
4736 r"""get_experimental_value(FretRestraint self) -> double"""
4737 return _IMP_isd.FretRestraint_get_experimental_value(self)
4739 def set_experimental_value(self, fexp):
4740 r"""set_experimental_value(FretRestraint self, double fexp)"""
4741 return _IMP_isd.FretRestraint_set_experimental_value(self, fexp)
4744 r"""do_get_inputs(FretRestraint self) -> IMP::ModelObjectsTemp"""
4745 return _IMP_isd.FretRestraint_do_get_inputs(self)
4748 r"""get_version_info(FretRestraint self) -> VersionInfo"""
4749 return _IMP_isd.FretRestraint_get_version_info(self)
4750 __swig_destroy__ = _IMP_isd.delete_FretRestraint
4753 r"""__str__(FretRestraint self) -> std::string"""
4754 return _IMP_isd.FretRestraint___str__(self)
4757 r"""__repr__(FretRestraint self) -> std::string"""
4758 return _IMP_isd.FretRestraint___repr__(self)
4762 return _object_cast_to_FretRestraint(o)
4765 def _get_as_binary(self):
4766 r"""_get_as_binary(FretRestraint self) -> PyObject *"""
4767 return _IMP_isd.FretRestraint__get_as_binary(self)
4769 def _set_from_binary(self, p):
4770 r"""_set_from_binary(FretRestraint self, PyObject * p)"""
4771 return _IMP_isd.FretRestraint__set_from_binary(self, p)
4773 def __getstate__(self):
4774 p = self._get_as_binary()
4775 if len(self.__dict__) > 1:
4776 d = self.__dict__.copy()
4781 def __setstate__(self, p):
4782 if not hasattr(self,
'this'):
4784 if isinstance(p, tuple):
4786 self.__dict__.update(d)
4787 return self._set_from_binary(p)
4791 _IMP_isd.FretRestraint_swigregister(FretRestraint)
4793 r"""Proxy of C++ IMP::isd::CysteineCrossLinkData class."""
4795 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4797 def __init__(self, *args):
4799 __init__(CysteineCrossLinkData self, double fexp, IMP::Floats fmod_grid, IMP::Floats omega_grid, IMP::Floats omega0_grid, int prior_type=3) -> CysteineCrossLinkData
4800 __init__(CysteineCrossLinkData self) -> CysteineCrossLinkData
4802 _IMP_isd.CysteineCrossLinkData_swiginit(self, _IMP_isd.new_CysteineCrossLinkData(*args))
4804 def get_closest(self, vec, value):
4805 r"""get_closest(CysteineCrossLinkData self, DistBase vec, double value) -> int"""
4806 return _IMP_isd.CysteineCrossLinkData_get_closest(self, vec, value)
4808 def get_omegas(self, fmods, omega0):
4809 r"""get_omegas(CysteineCrossLinkData self, IMP::Floats fmods, double omega0) -> IMP::Floats"""
4810 return _IMP_isd.CysteineCrossLinkData_get_omegas(self, fmods, omega0)
4812 def get_nonmarginal_elements(self, fexp, fmods, omega):
4813 r"""get_nonmarginal_elements(CysteineCrossLinkData self, double fexp, IMP::Floats fmods, double omega) -> IMP::Floats"""
4814 return _IMP_isd.CysteineCrossLinkData_get_nonmarginal_elements(self, fexp, fmods, omega)
4816 def get_marginal_elements(self, fmods, omega0):
4817 r"""get_marginal_elements(CysteineCrossLinkData self, IMP::Floats fmods, double omega0) -> IMP::Floats"""
4818 return _IMP_isd.CysteineCrossLinkData_get_marginal_elements(self, fmods, omega0)
4820 def get_omega(self, fmod, omega0):
4821 r"""get_omega(CysteineCrossLinkData self, double fmod, double omega0) -> double"""
4822 return _IMP_isd.CysteineCrossLinkData_get_omega(self, fmod, omega0)
4824 def get_standard_deviation(self, fmod, omega0):
4825 r"""get_standard_deviation(CysteineCrossLinkData self, double fmod, double omega0) -> double"""
4826 return _IMP_isd.CysteineCrossLinkData_get_standard_deviation(self, fmod, omega0)
4828 def get_nonmarginal_element(self, fexp, fmod, omega):
4829 r"""get_nonmarginal_element(CysteineCrossLinkData self, double fexp, double fmod, double omega) -> double"""
4830 return _IMP_isd.CysteineCrossLinkData_get_nonmarginal_element(self, fexp, fmod, omega)
4832 def get_marginal_element(self, fmod, omega0):
4833 r"""get_marginal_element(CysteineCrossLinkData self, double fmod, double omega0) -> double"""
4834 return _IMP_isd.CysteineCrossLinkData_get_marginal_element(self, fmod, omega0)
4837 r"""get_version_info(CysteineCrossLinkData self) -> VersionInfo"""
4838 return _IMP_isd.CysteineCrossLinkData_get_version_info(self)
4839 __swig_destroy__ = _IMP_isd.delete_CysteineCrossLinkData
4842 r"""__str__(CysteineCrossLinkData self) -> std::string"""
4843 return _IMP_isd.CysteineCrossLinkData___str__(self)
4846 r"""__repr__(CysteineCrossLinkData self) -> std::string"""
4847 return _IMP_isd.CysteineCrossLinkData___repr__(self)
4851 return _object_cast_to_CysteineCrossLinkData(o)
4854 def _get_as_binary(self):
4855 r"""_get_as_binary(CysteineCrossLinkData self) -> PyObject *"""
4856 return _IMP_isd.CysteineCrossLinkData__get_as_binary(self)
4858 def _set_from_binary(self, p):
4859 r"""_set_from_binary(CysteineCrossLinkData self, PyObject * p)"""
4860 return _IMP_isd.CysteineCrossLinkData__set_from_binary(self, p)
4862 def __getstate__(self):
4863 p = self._get_as_binary()
4864 if len(self.__dict__) > 1:
4865 d = self.__dict__.copy()
4870 def __setstate__(self, p):
4871 if not hasattr(self,
'this'):
4873 if isinstance(p, tuple):
4875 self.__dict__.update(d)
4876 return self._set_from_binary(p)
4880 _IMP_isd.CysteineCrossLinkData_swigregister(CysteineCrossLinkData)
4882 r"""Proxy of C++ IMP::isd::CrossLinkData class."""
4884 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4886 def __init__(self, *args):
4888 __init__(CrossLinkData self, IMP::Floats dist_grid, IMP::Floats omega_grid, IMP::Floats sigma_grid, double lexp_, double don=std::numeric_limits< double >::max(), double doff=std::numeric_limits< double >::max(), int prior_type=0) -> CrossLinkData
4889 __init__(CrossLinkData self, IMP::Floats dist_grid, IMP::Floats omega_grid, IMP::Floats sigma_grid, IMP::Floats pot_x_grid, IMP::Floats pot_value_grid, double don=std::numeric_limits< double >::max(), double doff=std::numeric_limits< double >::max(), int prior_type=0) -> CrossLinkData
4890 __init__(CrossLinkData self) -> CrossLinkData
4892 _IMP_isd.CrossLinkData_swiginit(self, _IMP_isd.new_CrossLinkData(*args))
4894 def get_closest(self, vec, value):
4895 r"""get_closest(CrossLinkData self, DistBase vec, double value) -> int"""
4896 return _IMP_isd.CrossLinkData_get_closest(self, vec, value)
4898 def get_omegas(self, sigma, dists):
4899 r"""get_omegas(CrossLinkData self, double sigma, IMP::Floats dists) -> IMP::Floats"""
4900 return _IMP_isd.CrossLinkData_get_omegas(self, sigma, dists)
4902 def get_omega_prior(self, omega, omega0):
4903 r"""get_omega_prior(CrossLinkData self, double omega, double omega0) -> double"""
4904 return _IMP_isd.CrossLinkData_get_omega_prior(self, omega, omega0)
4906 def get_nonmarginal_elements(self, sigmai, dists):
4907 r"""get_nonmarginal_elements(CrossLinkData self, double sigmai, IMP::Floats dists) -> IMP::Floats"""
4908 return _IMP_isd.CrossLinkData_get_nonmarginal_elements(self, sigmai, dists)
4910 def get_marginal_elements(self, sigma, dists):
4911 r"""get_marginal_elements(CrossLinkData self, double sigma, IMP::Floats dists) -> IMP::Floats"""
4912 return _IMP_isd.CrossLinkData_get_marginal_elements(self, sigma, dists)
4914 def get_marginal_maximum(self, *args):
4916 get_marginal_maximum(CrossLinkData self, double sigma) -> double
4917 get_marginal_maximum(CrossLinkData self) -> double
4919 return _IMP_isd.CrossLinkData_get_marginal_maximum(self, *args)
4922 r"""get_version_info(CrossLinkData self) -> VersionInfo"""
4923 return _IMP_isd.CrossLinkData_get_version_info(self)
4924 __swig_destroy__ = _IMP_isd.delete_CrossLinkData
4927 r"""__str__(CrossLinkData self) -> std::string"""
4928 return _IMP_isd.CrossLinkData___str__(self)
4931 r"""__repr__(CrossLinkData self) -> std::string"""
4932 return _IMP_isd.CrossLinkData___repr__(self)
4936 return _object_cast_to_CrossLinkData(o)
4939 def _get_as_binary(self):
4940 r"""_get_as_binary(CrossLinkData self) -> PyObject *"""
4941 return _IMP_isd.CrossLinkData__get_as_binary(self)
4943 def _set_from_binary(self, p):
4944 r"""_set_from_binary(CrossLinkData self, PyObject * p)"""
4945 return _IMP_isd.CrossLinkData__set_from_binary(self, p)
4947 def __getstate__(self):
4948 p = self._get_as_binary()
4949 if len(self.__dict__) > 1:
4950 d = self.__dict__.copy()
4955 def __setstate__(self, p):
4956 if not hasattr(self,
'this'):
4958 if isinstance(p, tuple):
4960 self.__dict__.update(d)
4961 return self._set_from_binary(p)
4965 _IMP_isd.CrossLinkData_swigregister(CrossLinkData)
4967 r"""Proxy of C++ IMP::isd::CysteineCrossLinkRestraint class."""
4969 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4971 def __init__(self, *args):
4973 __init__(CysteineCrossLinkRestraint self, Model m, _ParticleIndexAdaptor beta, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor epsilon, _ParticleIndexAdaptor weight, CrossLinkData data, double fexp) -> CysteineCrossLinkRestraint
4974 __init__(CysteineCrossLinkRestraint self, Model m, _ParticleIndexAdaptor beta, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor epsilon, _ParticleIndexAdaptor weight, CrossLinkData data, CysteineCrossLinkData ccldata) -> CysteineCrossLinkRestraint
4975 __init__(CysteineCrossLinkRestraint self) -> CysteineCrossLinkRestraint
4977 _IMP_isd.CysteineCrossLinkRestraint_swiginit(self, _IMP_isd.new_CysteineCrossLinkRestraint(*args))
4979 def get_probability(self):
4980 r"""get_probability(CysteineCrossLinkRestraint self) -> double"""
4981 return _IMP_isd.CysteineCrossLinkRestraint_get_probability(self)
4983 def get_standard_error(self):
4984 r"""get_standard_error(CysteineCrossLinkRestraint self) -> double"""
4985 return _IMP_isd.CysteineCrossLinkRestraint_get_standard_error(self)
4987 def get_frequencies(self):
4988 r"""get_frequencies(CysteineCrossLinkRestraint self) -> IMP::Floats"""
4989 return _IMP_isd.CysteineCrossLinkRestraint_get_frequencies(self)
4991 def get_model_frequency(self):
4992 r"""get_model_frequency(CysteineCrossLinkRestraint self) -> double"""
4993 return _IMP_isd.CysteineCrossLinkRestraint_get_model_frequency(self)
4995 def get_distances(self):
4996 r"""get_distances(CysteineCrossLinkRestraint self) -> IMP::Floats"""
4997 return _IMP_isd.CysteineCrossLinkRestraint_get_distances(self)
4999 def get_truncated_normalization(self, mean, sigma):
5000 r"""get_truncated_normalization(CysteineCrossLinkRestraint self, double mean, double sigma) -> double"""
5001 return _IMP_isd.CysteineCrossLinkRestraint_get_truncated_normalization(self, mean, sigma)
5003 def get_normal_pdf(self, mean, sigma, x):
5004 r"""get_normal_pdf(CysteineCrossLinkRestraint self, double mean, double sigma, double x) -> double"""
5005 return _IMP_isd.CysteineCrossLinkRestraint_get_normal_pdf(self, mean, sigma, x)
5007 def add_contribution(self, *args):
5009 add_contribution(CysteineCrossLinkRestraint self, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2)
5010 add_contribution(CysteineCrossLinkRestraint self, IMP::ParticleIndexes p1, IMP::ParticleIndexes p2)
5012 return _IMP_isd.CysteineCrossLinkRestraint_add_contribution(self, *args)
5014 def get_CB_coordinates(self, ps):
5015 r"""get_CB_coordinates(CysteineCrossLinkRestraint self, IMP::ParticleIndexes const & ps) -> Vector3D"""
5016 return _IMP_isd.CysteineCrossLinkRestraint_get_CB_coordinates(self, ps)
5018 def get_number_of_contributions(self):
5019 r"""get_number_of_contributions(CysteineCrossLinkRestraint self) -> unsigned int"""
5020 return _IMP_isd.CysteineCrossLinkRestraint_get_number_of_contributions(self)
5023 r"""do_get_inputs(CysteineCrossLinkRestraint self) -> IMP::ModelObjectsTemp"""
5024 return _IMP_isd.CysteineCrossLinkRestraint_do_get_inputs(self)
5027 r"""get_version_info(CysteineCrossLinkRestraint self) -> VersionInfo"""
5028 return _IMP_isd.CysteineCrossLinkRestraint_get_version_info(self)
5029 __swig_destroy__ = _IMP_isd.delete_CysteineCrossLinkRestraint
5032 r"""__str__(CysteineCrossLinkRestraint self) -> std::string"""
5033 return _IMP_isd.CysteineCrossLinkRestraint___str__(self)
5036 r"""__repr__(CysteineCrossLinkRestraint self) -> std::string"""
5037 return _IMP_isd.CysteineCrossLinkRestraint___repr__(self)
5041 return _object_cast_to_CysteineCrossLinkRestraint(o)
5044 def _get_as_binary(self):
5045 r"""_get_as_binary(CysteineCrossLinkRestraint self) -> PyObject *"""
5046 return _IMP_isd.CysteineCrossLinkRestraint__get_as_binary(self)
5048 def _set_from_binary(self, p):
5049 r"""_set_from_binary(CysteineCrossLinkRestraint self, PyObject * p)"""
5050 return _IMP_isd.CysteineCrossLinkRestraint__set_from_binary(self, p)
5052 def __getstate__(self):
5053 p = self._get_as_binary()
5054 if len(self.__dict__) > 1:
5055 d = self.__dict__.copy()
5060 def __setstate__(self, p):
5061 if not hasattr(self,
'this'):
5063 if isinstance(p, tuple):
5065 self.__dict__.update(d)
5066 return self._set_from_binary(p)
5070 _IMP_isd.CysteineCrossLinkRestraint_swigregister(CysteineCrossLinkRestraint)
5072 r"""Proxy of C++ IMP::isd::WeightMover class."""
5074 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5076 def __init__(self, w, radius):
5077 r"""__init__(WeightMover self, Particle w, IMP::Float radius) -> WeightMover"""
5078 _IMP_isd.WeightMover_swiginit(self, _IMP_isd.new_WeightMover(w, radius))
5080 def set_radius(self, radius):
5081 r"""set_radius(WeightMover self, IMP::Float radius)"""
5082 return _IMP_isd.WeightMover_set_radius(self, radius)
5084 def get_radius(self):
5085 r"""get_radius(WeightMover self) -> IMP::Float"""
5086 return _IMP_isd.WeightMover_get_radius(self)
5089 r"""get_version_info(WeightMover self) -> VersionInfo"""
5090 return _IMP_isd.WeightMover_get_version_info(self)
5091 __swig_destroy__ = _IMP_isd.delete_WeightMover
5094 r"""__str__(WeightMover self) -> std::string"""
5095 return _IMP_isd.WeightMover___str__(self)
5098 r"""__repr__(WeightMover self) -> std::string"""
5099 return _IMP_isd.WeightMover___repr__(self)
5103 return _object_cast_to_WeightMover(o)
5107 _IMP_isd.WeightMover_swigregister(WeightMover)
5109 r"""Proxy of C++ IMP::isd::WeightRestraint class."""
5111 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5113 def __init__(self, w, wmin, wmax, kappa):
5114 r"""__init__(WeightRestraint self, Particle w, IMP::Float wmin, IMP::Float wmax, IMP::Float kappa) -> WeightRestraint"""
5115 _IMP_isd.WeightRestraint_swiginit(self, _IMP_isd.new_WeightRestraint(w, wmin, wmax, kappa))
5118 r"""do_get_inputs(WeightRestraint self) -> IMP::ModelObjectsTemp"""
5119 return _IMP_isd.WeightRestraint_do_get_inputs(self)
5122 r"""get_version_info(WeightRestraint self) -> VersionInfo"""
5123 return _IMP_isd.WeightRestraint_get_version_info(self)
5124 __swig_destroy__ = _IMP_isd.delete_WeightRestraint
5127 r"""__str__(WeightRestraint self) -> std::string"""
5128 return _IMP_isd.WeightRestraint___str__(self)
5131 r"""__repr__(WeightRestraint self) -> std::string"""
5132 return _IMP_isd.WeightRestraint___repr__(self)
5136 return _object_cast_to_WeightRestraint(o)
5140 _IMP_isd.WeightRestraint_swigregister(WeightRestraint)
5142 r"""Proxy of C++ IMP::isd::AtomicCrossLinkMSRestraint class."""
5144 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5146 def __init__(self, *args):
5148 __init__(AtomicCrossLinkMSRestraint self, Model m, double length, ParticleIndex psi, IMP::Float slope=0.0, bool part_of_log_score=False, std::string name="AtomicCrossLinkMSRestraint%1%") -> AtomicCrossLinkMSRestraint
5149 __init__(AtomicCrossLinkMSRestraint self) -> AtomicCrossLinkMSRestraint
5151 _IMP_isd.AtomicCrossLinkMSRestraint_swiginit(self, _IMP_isd.new_AtomicCrossLinkMSRestraint(*args))
5153 def add_contribution(self, ppi, sigmas):
5154 r"""add_contribution(AtomicCrossLinkMSRestraint self, IMP::ParticleIndexPair const & ppi, IMP::ParticleIndexPair const & sigmas)"""
5155 return _IMP_isd.AtomicCrossLinkMSRestraint_add_contribution(self, ppi, sigmas)
5157 def evaluate_for_contributions(self, c, accum):
5158 r"""evaluate_for_contributions(AtomicCrossLinkMSRestraint self, IMP::Ints c, DerivativeAccumulator accum) -> IMP::Float"""
5159 return _IMP_isd.AtomicCrossLinkMSRestraint_evaluate_for_contributions(self, c, accum)
5161 def get_number_of_contributions(self):
5162 r"""get_number_of_contributions(AtomicCrossLinkMSRestraint self) -> unsigned int"""
5163 return _IMP_isd.AtomicCrossLinkMSRestraint_get_number_of_contributions(self)
5165 def get_contribution(self, i):
5166 r"""get_contribution(AtomicCrossLinkMSRestraint self, int i) -> IMP::ParticleIndexPair"""
5167 return _IMP_isd.AtomicCrossLinkMSRestraint_get_contribution(self, i)
5169 def get_contribution_sigmas(self, i):
5170 r"""get_contribution_sigmas(AtomicCrossLinkMSRestraint self, int i) -> IMP::ParticleIndexPair"""
5171 return _IMP_isd.AtomicCrossLinkMSRestraint_get_contribution_sigmas(self, i)
5174 r"""get_psi(AtomicCrossLinkMSRestraint self) -> ParticleIndex"""
5175 return _IMP_isd.AtomicCrossLinkMSRestraint_get_psi(self)
5178 r"""do_get_inputs(AtomicCrossLinkMSRestraint self) -> IMP::ModelObjectsTemp"""
5179 return _IMP_isd.AtomicCrossLinkMSRestraint_do_get_inputs(self)
5181 def show(self, out):
5182 r"""show(AtomicCrossLinkMSRestraint self, _ostream out)"""
5183 return _IMP_isd.AtomicCrossLinkMSRestraint_show(self, out)
5185 def set_slope(self, slope):
5186 r"""set_slope(AtomicCrossLinkMSRestraint self, IMP::Float slope)"""
5187 return _IMP_isd.AtomicCrossLinkMSRestraint_set_slope(self, slope)
5189 def set_part_of_log_score(self, hey):
5190 r"""set_part_of_log_score(AtomicCrossLinkMSRestraint self, bool hey)"""
5191 return _IMP_isd.AtomicCrossLinkMSRestraint_set_part_of_log_score(self, hey)
5194 r"""get_version_info(AtomicCrossLinkMSRestraint self) -> VersionInfo"""
5195 return _IMP_isd.AtomicCrossLinkMSRestraint_get_version_info(self)
5196 __swig_destroy__ = _IMP_isd.delete_AtomicCrossLinkMSRestraint
5199 r"""__str__(AtomicCrossLinkMSRestraint self) -> std::string"""
5200 return _IMP_isd.AtomicCrossLinkMSRestraint___str__(self)
5203 r"""__repr__(AtomicCrossLinkMSRestraint self) -> std::string"""
5204 return _IMP_isd.AtomicCrossLinkMSRestraint___repr__(self)
5208 return _object_cast_to_AtomicCrossLinkMSRestraint(o)
5211 def _get_as_binary(self):
5212 r"""_get_as_binary(AtomicCrossLinkMSRestraint self) -> PyObject *"""
5213 return _IMP_isd.AtomicCrossLinkMSRestraint__get_as_binary(self)
5215 def _set_from_binary(self, p):
5216 r"""_set_from_binary(AtomicCrossLinkMSRestraint self, PyObject * p)"""
5217 return _IMP_isd.AtomicCrossLinkMSRestraint__set_from_binary(self, p)
5219 def __getstate__(self):
5220 p = self._get_as_binary()
5221 if len(self.__dict__) > 1:
5222 d = self.__dict__.copy()
5227 def __setstate__(self, p):
5228 if not hasattr(self,
'this'):
5230 if isinstance(p, tuple):
5232 self.__dict__.update(d)
5233 return self._set_from_binary(p)
5237 _IMP_isd.AtomicCrossLinkMSRestraint_swigregister(AtomicCrossLinkMSRestraint)
5239 r"""Proxy of C++ IMP::isd::GaussianEMRestraint class."""
5241 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5243 def __init__(self, *args):
5245 __init__(GaussianEMRestraint self, Model mdl, IMP::ParticleIndexes model_ps, IMP::ParticleIndexes density_ps, ParticleIndex global_sigma, IMP::Float model_cutoff_dist, IMP::Float density_cutoff_dist, IMP::Float slope, bool update_model=True, bool backbone_slope=False, bool local=False, std::string name="GaussianEMRestraint%1%") -> GaussianEMRestraint
5246 __init__(GaussianEMRestraint self) -> GaussianEMRestraint
5248 _IMP_isd.GaussianEMRestraint_swiginit(self, _IMP_isd.new_GaussianEMRestraint(*args))
5250 def get_probability(self):
5251 r"""get_probability(GaussianEMRestraint self) -> double"""
5252 return _IMP_isd.GaussianEMRestraint_get_probability(self)
5255 r"""get_cross_correlation_coefficient(GaussianEMRestraint self) -> double"""
5256 return _IMP_isd.GaussianEMRestraint_get_cross_correlation_coefficient(self)
5258 def set_density_filename(self, density_fn):
5259 r"""set_density_filename(GaussianEMRestraint self, std::string density_fn)"""
5260 return _IMP_isd.GaussianEMRestraint_set_density_filename(self, density_fn)
5262 def compute_initial_scores(self):
5263 r"""compute_initial_scores(GaussianEMRestraint self)"""
5264 return _IMP_isd.GaussianEMRestraint_compute_initial_scores(self)
5266 def set_slope(self, s):
5267 r"""set_slope(GaussianEMRestraint self, IMP::Float s)"""
5268 return _IMP_isd.GaussianEMRestraint_set_slope(self, s)
5270 def get_slope(self):
5271 r"""get_slope(GaussianEMRestraint self) -> IMP::Float"""
5272 return _IMP_isd.GaussianEMRestraint_get_slope(self)
5275 r"""do_get_inputs(GaussianEMRestraint self) -> IMP::ModelObjectsTemp"""
5276 return _IMP_isd.GaussianEMRestraint_do_get_inputs(self)
5278 def show(self, out):
5279 r"""show(GaussianEMRestraint self, _ostream out)"""
5280 return _IMP_isd.GaussianEMRestraint_show(self, out)
5283 r"""get_version_info(GaussianEMRestraint self) -> VersionInfo"""
5284 return _IMP_isd.GaussianEMRestraint_get_version_info(self)
5285 __swig_destroy__ = _IMP_isd.delete_GaussianEMRestraint
5288 r"""__str__(GaussianEMRestraint self) -> std::string"""
5289 return _IMP_isd.GaussianEMRestraint___str__(self)
5292 r"""__repr__(GaussianEMRestraint self) -> std::string"""
5293 return _IMP_isd.GaussianEMRestraint___repr__(self)
5297 return _object_cast_to_GaussianEMRestraint(o)
5300 def _get_as_binary(self):
5301 r"""_get_as_binary(GaussianEMRestraint self) -> PyObject *"""
5302 return _IMP_isd.GaussianEMRestraint__get_as_binary(self)
5304 def _set_from_binary(self, p):
5305 r"""_set_from_binary(GaussianEMRestraint self, PyObject * p)"""
5306 return _IMP_isd.GaussianEMRestraint__set_from_binary(self, p)
5308 def __getstate__(self):
5309 p = self._get_as_binary()
5310 if len(self.__dict__) > 1:
5311 d = self.__dict__.copy()
5316 def __setstate__(self, p):
5317 if not hasattr(self,
'this'):
5319 if isinstance(p, tuple):
5321 self.__dict__.update(d)
5322 return self._set_from_binary(p)
5326 _IMP_isd.GaussianEMRestraint_swigregister(GaussianEMRestraint)
5327 class GaussianAnchorEMRestraint(ISDRestraint):
5328 r"""Proxy of C++ IMP::isd::GaussianAnchorEMRestraint class."""
5330 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5332 def __init__(self, *args):
5333 r"""__init__(GaussianAnchorEMRestraint self, IMP::ParticlesTemp model_ps, IMP::Floats model_sigs, IMP::Floats model_weights, IMP::ParticlesTemp density_ps, IMP::Floats density_sigs, IMP::Floats density_weights, Particle global_sigma, IMP::Float cutoff_dist, bool rigid, bool tabexp, std::string name="GaussianAnchorEMRestraint%1%") -> GaussianAnchorEMRestraint"""
5334 _IMP_isd.GaussianAnchorEMRestraint_swiginit(self, _IMP_isd.new_GaussianAnchorEMRestraint(*args))
5336 def get_density_particles(self):
5337 r"""get_density_particles(GaussianAnchorEMRestraint self) -> IMP::ParticlesTemp"""
5338 return _IMP_isd.GaussianAnchorEMRestraint_get_density_particles(self)
5339 __swig_destroy__ = _IMP_isd.delete_GaussianAnchorEMRestraint
5342 r"""__str__(GaussianAnchorEMRestraint self) -> std::string"""
5343 return _IMP_isd.GaussianAnchorEMRestraint___str__(self)
5346 r"""__repr__(GaussianAnchorEMRestraint self) -> std::string"""
5347 return _IMP_isd.GaussianAnchorEMRestraint___repr__(self)
5351 return _object_cast_to_GaussianAnchorEMRestraint(o)
5355 _IMP_isd.GaussianAnchorEMRestraint_swigregister(GaussianAnchorEMRestraint)
5357 r"""Proxy of C++ IMP::isd::GammaPrior class."""
5359 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5361 def __init__(self, *args):
5362 r"""__init__(GammaPrior self, Model m, Particle p, IMP::Float k, IMP::Float theta, std::string name="GammaPrior%1%") -> GammaPrior"""
5363 _IMP_isd.GammaPrior_swiginit(self, _IMP_isd.new_GammaPrior(*args))
5365 def evaluate_at(self, val):
5366 r"""evaluate_at(GammaPrior self, IMP::Float val) -> double"""
5367 return _IMP_isd.GammaPrior_evaluate_at(self, val)
5370 r"""do_get_inputs(GammaPrior self) -> IMP::ModelObjectsTemp"""
5371 return _IMP_isd.GammaPrior_do_get_inputs(self)
5374 r"""get_version_info(GammaPrior self) -> VersionInfo"""
5375 return _IMP_isd.GammaPrior_get_version_info(self)
5376 __swig_destroy__ = _IMP_isd.delete_GammaPrior
5378 def get_probability(self):
5379 r"""get_probability(GammaPrior self) -> double"""
5380 return _IMP_isd.GammaPrior_get_probability(self)
5383 r"""__str__(GammaPrior self) -> std::string"""
5384 return _IMP_isd.GammaPrior___str__(self)
5387 r"""__repr__(GammaPrior self) -> std::string"""
5388 return _IMP_isd.GammaPrior___repr__(self)
5392 return _object_cast_to_GammaPrior(o)
5396 _IMP_isd.GammaPrior_swigregister(GammaPrior)
5398 def sample_points_from_density(dmap_orig, npoints, threshold=0.0):
5399 r"""sample_points_from_density(DensityMap dmap_orig, int npoints, IMP::Float threshold=0.0) -> IMP::FloatsList"""
5400 return _IMP_isd.sample_points_from_density(dmap_orig, npoints, threshold)
5402 r"""Proxy of C++ IMP::isd::ResidueProteinProximityRestraint class."""
5404 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5406 def __init__(self, *args):
5407 r"""__init__(ResidueProteinProximityRestraint self, Model m, double cutoff=6.0, double sigma=3.0, double xi=0.5, bool part_of_log_score=False, std::string name="ResidueProteinProximityRestraint_%1%") -> ResidueProteinProximityRestraint"""
5408 _IMP_isd.ResidueProteinProximityRestraint_swiginit(self, _IMP_isd.new_ResidueProteinProximityRestraint(*args))
5410 def add_pairs_container(self, pc):
5411 r"""add_pairs_container(ResidueProteinProximityRestraint self, PairContainer pc)"""
5412 return _IMP_isd.ResidueProteinProximityRestraint_add_pairs_container(self, pc)
5414 def add_contribution_particles(self, ppis1, ppis2):
5415 r"""add_contribution_particles(ResidueProteinProximityRestraint self, IMP::ParticleIndexes const ppis1, IMP::ParticleIndexes const ppis2)"""
5416 return _IMP_isd.ResidueProteinProximityRestraint_add_contribution_particles(self, ppis1, ppis2)
5418 def evaluate_for_contributions(self, c):
5419 r"""evaluate_for_contributions(ResidueProteinProximityRestraint self, IMP::Ints c) -> double"""
5420 return _IMP_isd.ResidueProteinProximityRestraint_evaluate_for_contributions(self, c)
5422 def get_number_of_contributions(self):
5423 r"""get_number_of_contributions(ResidueProteinProximityRestraint self) -> unsigned int"""
5424 return _IMP_isd.ResidueProteinProximityRestraint_get_number_of_contributions(self)
5426 def set_sigma(self, sigma):
5427 r"""set_sigma(ResidueProteinProximityRestraint self, double sigma)"""
5428 return _IMP_isd.ResidueProteinProximityRestraint_set_sigma(self, sigma)
5430 def set_cutoff(self, cutoff):
5431 r"""set_cutoff(ResidueProteinProximityRestraint self, double cutoff)"""
5432 return _IMP_isd.ResidueProteinProximityRestraint_set_cutoff(self, cutoff)
5434 def set_max_score(self, max_score):
5435 r"""set_max_score(ResidueProteinProximityRestraint self, double max_score)"""
5436 return _IMP_isd.ResidueProteinProximityRestraint_set_max_score(self, max_score)
5438 def set_yi(self, yi):
5439 r"""set_yi(ResidueProteinProximityRestraint self, double yi)"""
5440 return _IMP_isd.ResidueProteinProximityRestraint_set_yi(self, yi)
5442 def set_interpolation_factor(self, interpolation_factor):
5443 r"""set_interpolation_factor(ResidueProteinProximityRestraint self, double interpolation_factor)"""
5444 return _IMP_isd.ResidueProteinProximityRestraint_set_interpolation_factor(self, interpolation_factor)
5446 def set_part_of_log_score(self, hey):
5447 r"""set_part_of_log_score(ResidueProteinProximityRestraint self, bool hey)"""
5448 return _IMP_isd.ResidueProteinProximityRestraint_set_part_of_log_score(self, hey)
5451 r"""do_get_inputs(ResidueProteinProximityRestraint self) -> IMP::ModelObjectsTemp"""
5452 return _IMP_isd.ResidueProteinProximityRestraint_do_get_inputs(self)
5455 r"""get_version_info(ResidueProteinProximityRestraint self) -> VersionInfo"""
5456 return _IMP_isd.ResidueProteinProximityRestraint_get_version_info(self)
5457 __swig_destroy__ = _IMP_isd.delete_ResidueProteinProximityRestraint
5460 r"""__str__(ResidueProteinProximityRestraint self) -> std::string"""
5461 return _IMP_isd.ResidueProteinProximityRestraint___str__(self)
5464 r"""__repr__(ResidueProteinProximityRestraint self) -> std::string"""
5465 return _IMP_isd.ResidueProteinProximityRestraint___repr__(self)
5469 return _object_cast_to_ResidueProteinProximityRestraint(o)
5473 _IMP_isd.ResidueProteinProximityRestraint_swigregister(ResidueProteinProximityRestraint)
5475 def get_module_name():
5476 r"""get_module_name() -> std::string const"""
5477 return _IMP_isd.get_module_name()
5480 r"""get_module_version() -> std::string const"""
5481 return _IMP_isd.get_module_version()
5484 r"""get_example_path(std::string fname) -> std::string"""
5485 return _IMP_isd.get_example_path(fname)
5488 r"""get_data_path(std::string fname) -> std::string"""
5489 return _IMP_isd.get_data_path(fname)
5491 from .
import _version_check
Abstract class for scoring object(s) of type ParticleIndexPair.
Various classes to hold sets of particles.
static XYZR setup_particle(Model *m, ParticleIndex pi)
static FloatKey get_scale_key()
Make CGAL functionality available to IMP.
virtual void clear_caches()
virtual ModelObjectsTemp do_get_outputs(Model *m, const ParticleIndexes &pis) const =0
Overload this method to specify the outputs.
Composable functors to implement scores via compile-time composition.
Vector3D get_random_vector_in(const Cylinder3D &c)
Generate a random vector in a cylinder with uniform density.
Code to compute statistical measures.
Object used to hold a set of restraints.
Class for storing model, its restraints, constraints, and particles.
ModelObjectsTemp get_inputs(Model *m, const ParticleIndexes &pis) const
Get the ModelObjects read when the given list of particles is used.
virtual void do_destroy()
Common base class for heavy weight IMP objects.
Simple molecular dynamics simulator.
Store a list of ParticleIndexes.
A base class for classes which perturb particles.
virtual ModelObjectsTemp do_get_inputs(Model *m, const ParticleIndexes &pis) const =0
Overload this method to specify the inputs.
Basic utilities for handling cryo-electron microscopy 3D density maps.
double get_cross_correlation_coefficient(Image *im1, Image *im2)
Cross correlation between two images.
Interface to specialized Particle types (e.g. atoms)
Basic functionality that is expected to be used by a wide variety of IMP users.
General purpose algebraic and geometric methods that are expected to be used by a wide variety of IMP...
std::string get_module_version()
Return the version of this module, as a string.
virtual VersionInfo get_version_info() const
Get information about the module and version of the object.
Class to handle individual particles of a Model object.
void set_check_level(CheckLevel l)
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
Output IMP model data in various file formats.
Functionality for loading, creating, manipulating and scoring atomic structures.
std::string get_data_path(std::string file_name)
Return the full path to one of this module's data files.
Support for small angle X-ray scattering (SAXS) data.
A restraint is a term in an IMP ScoringFunction.