20 import builtins
as __builtin__
24 strthis =
"proxy of " + self.this.__repr__()
25 except __builtin__.Exception:
27 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
30 def _swig_setattr_nondynamic_instance_variable(set):
31 def set_instance_attr(self, name, value):
33 set(self, name, value)
34 elif name ==
"thisown":
36 elif hasattr(self, name)
and isinstance(getattr(type(self), name), property):
37 set(self, name, value)
39 raise AttributeError(
"You cannot add instance attributes to %s" % self)
40 return set_instance_attr
43 def _swig_setattr_nondynamic_class_variable(set):
44 def set_class_attr(cls, name, value):
45 if hasattr(cls, name)
and not isinstance(getattr(cls, name), property):
48 raise AttributeError(
"You cannot add class attributes to %s" % cls)
52 class _SwigNonDynamicMeta(type):
53 """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
54 __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
59 class IMP_ISD_SwigPyIterator(object):
60 r"""Proxy of C++ swig::IMP_ISD_SwigPyIterator class."""
62 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
64 def __init__(self, *args, **kwargs):
65 raise AttributeError(
"No constructor defined - class is abstract")
67 __swig_destroy__ = _IMP_isd.delete_IMP_ISD_SwigPyIterator
70 r"""value(IMP_ISD_SwigPyIterator self) -> PyObject *"""
71 return _IMP_isd.IMP_ISD_SwigPyIterator_value(self)
74 r"""incr(IMP_ISD_SwigPyIterator self, size_t n=1) -> IMP_ISD_SwigPyIterator"""
75 return _IMP_isd.IMP_ISD_SwigPyIterator_incr(self, n)
78 r"""decr(IMP_ISD_SwigPyIterator self, size_t n=1) -> IMP_ISD_SwigPyIterator"""
79 return _IMP_isd.IMP_ISD_SwigPyIterator_decr(self, n)
81 def distance(self, x):
82 r"""distance(IMP_ISD_SwigPyIterator self, IMP_ISD_SwigPyIterator x) -> ptrdiff_t"""
83 return _IMP_isd.IMP_ISD_SwigPyIterator_distance(self, x)
86 r"""equal(IMP_ISD_SwigPyIterator self, IMP_ISD_SwigPyIterator x) -> bool"""
87 return _IMP_isd.IMP_ISD_SwigPyIterator_equal(self, x)
90 r"""copy(IMP_ISD_SwigPyIterator self) -> IMP_ISD_SwigPyIterator"""
91 return _IMP_isd.IMP_ISD_SwigPyIterator_copy(self)
94 r"""__next__(IMP_ISD_SwigPyIterator self) -> PyObject *"""
95 return _IMP_isd.IMP_ISD_SwigPyIterator___next__(self)
98 r"""previous(IMP_ISD_SwigPyIterator self) -> PyObject *"""
99 return _IMP_isd.IMP_ISD_SwigPyIterator_previous(self)
101 def advance(self, n):
102 r"""advance(IMP_ISD_SwigPyIterator self, ptrdiff_t n) -> IMP_ISD_SwigPyIterator"""
103 return _IMP_isd.IMP_ISD_SwigPyIterator_advance(self, n)
106 r"""__eq__(IMP_ISD_SwigPyIterator self, IMP_ISD_SwigPyIterator x) -> bool"""
107 return _IMP_isd.IMP_ISD_SwigPyIterator___eq__(self, x)
110 r"""__ne__(IMP_ISD_SwigPyIterator self, IMP_ISD_SwigPyIterator x) -> bool"""
111 return _IMP_isd.IMP_ISD_SwigPyIterator___ne__(self, x)
113 def __iadd__(self, n):
114 r"""__iadd__(IMP_ISD_SwigPyIterator self, ptrdiff_t n) -> IMP_ISD_SwigPyIterator"""
115 return _IMP_isd.IMP_ISD_SwigPyIterator___iadd__(self, n)
117 def __isub__(self, n):
118 r"""__isub__(IMP_ISD_SwigPyIterator self, ptrdiff_t n) -> IMP_ISD_SwigPyIterator"""
119 return _IMP_isd.IMP_ISD_SwigPyIterator___isub__(self, n)
121 def __add__(self, n):
122 r"""__add__(IMP_ISD_SwigPyIterator self, ptrdiff_t n) -> IMP_ISD_SwigPyIterator"""
123 return _IMP_isd.IMP_ISD_SwigPyIterator___add__(self, n)
125 def __sub__(self, *args):
127 __sub__(IMP_ISD_SwigPyIterator self, ptrdiff_t n) -> IMP_ISD_SwigPyIterator
128 __sub__(IMP_ISD_SwigPyIterator self, IMP_ISD_SwigPyIterator x) -> ptrdiff_t
130 return _IMP_isd.IMP_ISD_SwigPyIterator___sub__(self, *args)
135 _IMP_isd.IMP_ISD_SwigPyIterator_swigregister(IMP_ISD_SwigPyIterator)
142 IMP_DEBUG = _IMP_isd.IMP_DEBUG
144 IMP_RELEASE = _IMP_isd.IMP_RELEASE
146 IMP_SILENT = _IMP_isd.IMP_SILENT
148 IMP_PROGRESS = _IMP_isd.IMP_PROGRESS
150 IMP_TERSE = _IMP_isd.IMP_TERSE
152 IMP_VERBOSE = _IMP_isd.IMP_VERBOSE
154 IMP_MEMORY = _IMP_isd.IMP_MEMORY
156 IMP_NONE = _IMP_isd.IMP_NONE
158 IMP_USAGE = _IMP_isd.IMP_USAGE
160 IMP_INTERNAL = _IMP_isd.IMP_INTERNAL
162 IMP_KERNEL_HAS_LOG4CXX = _IMP_isd.IMP_KERNEL_HAS_LOG4CXX
164 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_isd.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
166 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_isd.IMP_COMPILER_HAS_DEBUG_VECTOR
168 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_isd.IMP_COMPILER_HAS_RANDOM_SHUFFLE
170 IMP_COMPILER_HAS_THREE_WAY = _IMP_isd.IMP_COMPILER_HAS_THREE_WAY
172 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_isd.IMP_KERNEL_HAS_BOOST_RANDOM
174 IMP_KERNEL_HAS_NUMPY = _IMP_isd.IMP_KERNEL_HAS_NUMPY
176 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_isd.IMP_KERNEL_HAS_BOOST_SYSTEM
178 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_isd.IMP_KERNEL_HAS_GPERFTOOLS
180 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_isd.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
182 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_isd.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
184 IMPKERNEL_SHOW_WARNINGS = _IMP_isd.IMPKERNEL_SHOW_WARNINGS
188 class _DirectorObjects:
189 """@internal Simple class to keep references to director objects
190 to prevent premature deletion."""
193 def register(self, obj):
194 """Take a reference to a director object; will only work for
195 refcounted C++ classes"""
196 if hasattr(obj,
'get_ref_count'):
197 self._objects.append(obj)
199 """Only drop our reference and allow cleanup by Python if no other
200 Python references exist (we hold 3 references: one in self._objects,
201 one in x, and one in the argument list for getrefcount) *and* no
202 other C++ references exist (the Python object always holds one)"""
203 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
204 or x.get_ref_count() > 1]
208 def get_object_count(self):
209 """Get number of director objects (useful for testing only)"""
210 return len(self._objects)
211 _director_objects = _DirectorObjects()
213 class _ostream(object):
214 r"""Proxy of C++ std::ostream class."""
216 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
218 def __init__(self, *args, **kwargs):
219 raise AttributeError(
"No constructor defined")
220 __repr__ = _swig_repr
222 def write(self, osa_buf):
223 r"""write(_ostream self, char const * osa_buf)"""
224 return _IMP_isd._ostream_write(self, osa_buf)
227 _IMP_isd._ostream_swigregister(_ostream)
228 IMP_C_OPEN_BINARY = _IMP_isd.IMP_C_OPEN_BINARY
231 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_CGAL_HAS_BOOST_FILESYSTEM
233 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
235 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_isd.IMP_CGAL_HAS_BOOST_RANDOM
237 IMP_CGAL_HAS_NUMPY = _IMP_isd.IMP_CGAL_HAS_NUMPY
239 IMPCGAL_SHOW_WARNINGS = _IMP_isd.IMPCGAL_SHOW_WARNINGS
242 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_isd.IMP_ALGEBRA_HAS_IMP_CGAL
244 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
246 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
248 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_isd.IMP_ALGEBRA_HAS_BOOST_RANDOM
250 IMP_ALGEBRA_HAS_CGAL = _IMP_isd.IMP_ALGEBRA_HAS_CGAL
252 IMP_ALGEBRA_HAS_NUMPY = _IMP_isd.IMP_ALGEBRA_HAS_NUMPY
254 IMP_ALGEBRA_HAS_ANN = _IMP_isd.IMP_ALGEBRA_HAS_ANN
256 IMPALGEBRA_SHOW_WARNINGS = _IMP_isd.IMPALGEBRA_SHOW_WARNINGS
259 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_isd.IMP_DISPLAY_HAS_IMP_CGAL
261 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
263 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
265 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_isd.IMP_DISPLAY_HAS_BOOST_RANDOM
267 IMP_DISPLAY_HAS_CGAL = _IMP_isd.IMP_DISPLAY_HAS_CGAL
269 IMP_DISPLAY_HAS_NUMPY = _IMP_isd.IMP_DISPLAY_HAS_NUMPY
271 IMPDISPLAY_SHOW_WARNINGS = _IMP_isd.IMPDISPLAY_SHOW_WARNINGS
274 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
276 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
278 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
280 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
282 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_CGAL
284 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_HDF5
286 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_isd.IMP_SCORE_FUNCTOR_HAS_NUMPY
288 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_isd.IMPSCOREFUNCTOR_SHOW_WARNINGS
291 IMP_STATISTICS_HAS_IMP_CGAL = _IMP_isd.IMP_STATISTICS_HAS_IMP_CGAL
293 IMP_STATISTICS_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_STATISTICS_HAS_BOOST_FILESYSTEM
295 IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS
297 IMP_STATISTICS_HAS_BOOST_RANDOM = _IMP_isd.IMP_STATISTICS_HAS_BOOST_RANDOM
299 IMP_STATISTICS_HAS_CGAL = _IMP_isd.IMP_STATISTICS_HAS_CGAL
301 IMP_STATISTICS_HAS_NUMPY = _IMP_isd.IMP_STATISTICS_HAS_NUMPY
303 IMPSTATISTICS_SHOW_WARNINGS = _IMP_isd.IMPSTATISTICS_SHOW_WARNINGS
306 IMP_CORE_HAS_IMP_CGAL = _IMP_isd.IMP_CORE_HAS_IMP_CGAL
308 IMP_CORE_HAS_IMP_KERNEL = _IMP_isd.IMP_CORE_HAS_IMP_KERNEL
310 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_CORE_HAS_BOOST_FILESYSTEM
312 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
314 IMP_CORE_HAS_BOOST_RANDOM = _IMP_isd.IMP_CORE_HAS_BOOST_RANDOM
316 IMP_CORE_HAS_CGAL = _IMP_isd.IMP_CORE_HAS_CGAL
318 IMP_CORE_HAS_HDF5 = _IMP_isd.IMP_CORE_HAS_HDF5
320 IMP_CORE_HAS_NUMPY = _IMP_isd.IMP_CORE_HAS_NUMPY
322 IMPCORE_SHOW_WARNINGS = _IMP_isd.IMPCORE_SHOW_WARNINGS
325 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_isd.IMP_CONTAINER_HAS_IMP_ALGEBRA
327 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_isd.IMP_CONTAINER_HAS_IMP_CGAL
329 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_isd.IMP_CONTAINER_HAS_IMP_DISPLAY
331 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_isd.IMP_CONTAINER_HAS_IMP_KERNEL
333 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_isd.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
335 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
337 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
339 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_isd.IMP_CONTAINER_HAS_BOOST_RANDOM
341 IMP_CONTAINER_HAS_CGAL = _IMP_isd.IMP_CONTAINER_HAS_CGAL
343 IMP_CONTAINER_HAS_HDF5 = _IMP_isd.IMP_CONTAINER_HAS_HDF5
345 IMP_CONTAINER_HAS_NUMPY = _IMP_isd.IMP_CONTAINER_HAS_NUMPY
347 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_isd.IMP_CONTAINER_HAS_PYTHON_IHM
349 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_isd.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
351 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_isd.IMP_CONTAINER_HAS_ROBIN_MAP
353 IMPCONTAINER_SHOW_WARNINGS = _IMP_isd.IMPCONTAINER_SHOW_WARNINGS
356 IMP_ATOM_HAS_IMP_CGAL = _IMP_isd.IMP_ATOM_HAS_IMP_CGAL
358 IMP_ATOM_HAS_IMP_KERNEL = _IMP_isd.IMP_ATOM_HAS_IMP_KERNEL
360 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_isd.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
362 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
364 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_isd.IMP_ATOM_HAS_BOOST_RANDOM
366 IMP_ATOM_HAS_BOOST_REGEX = _IMP_isd.IMP_ATOM_HAS_BOOST_REGEX
368 IMP_ATOM_HAS_CGAL = _IMP_isd.IMP_ATOM_HAS_CGAL
370 IMP_ATOM_HAS_HDF5 = _IMP_isd.IMP_ATOM_HAS_HDF5
372 IMP_ATOM_HAS_NUMPY = _IMP_isd.IMP_ATOM_HAS_NUMPY
374 IMP_ATOM_HAS_PYTHON_IHM = _IMP_isd.IMP_ATOM_HAS_PYTHON_IHM
376 IMPATOM_SHOW_WARNINGS = _IMP_isd.IMPATOM_SHOW_WARNINGS
378 IMP_ATOM_TYPE_INDEX = _IMP_isd.IMP_ATOM_TYPE_INDEX
380 IMP_RESIDUE_TYPE_INDEX = _IMP_isd.IMP_RESIDUE_TYPE_INDEX
382 IMP_HIERARCHY_TYPE_INDEX = _IMP_isd.IMP_HIERARCHY_TYPE_INDEX
384 IMP_CHAIN_TYPE_INDEX = _IMP_isd.IMP_CHAIN_TYPE_INDEX
387 IMP_EM_HAS_IMP_CGAL = _IMP_isd.IMP_EM_HAS_IMP_CGAL
389 IMP_EM_HAS_IMP_CONTAINER = _IMP_isd.IMP_EM_HAS_IMP_CONTAINER
391 IMP_EM_HAS_IMP_DISPLAY = _IMP_isd.IMP_EM_HAS_IMP_DISPLAY
393 IMP_EM_HAS_IMP_SCORE_FUNCTOR = _IMP_isd.IMP_EM_HAS_IMP_SCORE_FUNCTOR
395 IMP_EM_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_EM_HAS_BOOST_FILESYSTEM
397 IMP_EM_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_EM_HAS_BOOST_PROGRAMOPTIONS
399 IMP_EM_HAS_BOOST_RANDOM = _IMP_isd.IMP_EM_HAS_BOOST_RANDOM
401 IMP_EM_HAS_BOOST_REGEX = _IMP_isd.IMP_EM_HAS_BOOST_REGEX
403 IMP_EM_HAS_CGAL = _IMP_isd.IMP_EM_HAS_CGAL
405 IMP_EM_HAS_HDF5 = _IMP_isd.IMP_EM_HAS_HDF5
407 IMP_EM_HAS_NUMPY = _IMP_isd.IMP_EM_HAS_NUMPY
409 IMP_EM_HAS_PYTHON_IHM = _IMP_isd.IMP_EM_HAS_PYTHON_IHM
411 IMPEM_SHOW_WARNINGS = _IMP_isd.IMPEM_SHOW_WARNINGS
414 IMP_SAXS_HAS_IMP_CGAL = _IMP_isd.IMP_SAXS_HAS_IMP_CGAL
416 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_isd.IMP_SAXS_HAS_IMP_CONTAINER
418 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_isd.IMP_SAXS_HAS_IMP_DISPLAY
420 IMP_SAXS_HAS_IMP_KERNEL = _IMP_isd.IMP_SAXS_HAS_IMP_KERNEL
422 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_isd.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
424 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_SAXS_HAS_BOOST_FILESYSTEM
426 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
428 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_isd.IMP_SAXS_HAS_BOOST_RANDOM
430 IMP_SAXS_HAS_BOOST_REGEX = _IMP_isd.IMP_SAXS_HAS_BOOST_REGEX
432 IMP_SAXS_HAS_CGAL = _IMP_isd.IMP_SAXS_HAS_CGAL
434 IMP_SAXS_HAS_HDF5 = _IMP_isd.IMP_SAXS_HAS_HDF5
436 IMP_SAXS_HAS_NUMPY = _IMP_isd.IMP_SAXS_HAS_NUMPY
438 IMP_SAXS_HAS_PYTHON_IHM = _IMP_isd.IMP_SAXS_HAS_PYTHON_IHM
440 IMPSAXS_SHOW_WARNINGS = _IMP_isd.IMPSAXS_SHOW_WARNINGS
443 IMP_ISD_HAS_IMP_CGAL = _IMP_isd.IMP_ISD_HAS_IMP_CGAL
445 IMP_ISD_HAS_IMP_DISPLAY = _IMP_isd.IMP_ISD_HAS_IMP_DISPLAY
447 IMP_ISD_HAS_IMP_SCORE_FUNCTOR = _IMP_isd.IMP_ISD_HAS_IMP_SCORE_FUNCTOR
449 IMP_ISD_HAS_BOOST_FILESYSTEM = _IMP_isd.IMP_ISD_HAS_BOOST_FILESYSTEM
451 IMP_ISD_HAS_BOOST_PROGRAMOPTIONS = _IMP_isd.IMP_ISD_HAS_BOOST_PROGRAMOPTIONS
453 IMP_ISD_HAS_BOOST_RANDOM = _IMP_isd.IMP_ISD_HAS_BOOST_RANDOM
455 IMP_ISD_HAS_BOOST_REGEX = _IMP_isd.IMP_ISD_HAS_BOOST_REGEX
457 IMP_ISD_HAS_CGAL = _IMP_isd.IMP_ISD_HAS_CGAL
459 IMP_ISD_HAS_HDF5 = _IMP_isd.IMP_ISD_HAS_HDF5
461 IMP_ISD_HAS_NUMPY = _IMP_isd.IMP_ISD_HAS_NUMPY
463 IMP_ISD_HAS_PYTHON_IHM = _IMP_isd.IMP_ISD_HAS_PYTHON_IHM
465 IMPISD_SHOW_WARNINGS = _IMP_isd.IMPISD_SHOW_WARNINGS
468 _object_types.append(
"ISDRestraint")
471 def _object_cast_to_ISDRestraint(o):
472 r"""_object_cast_to_ISDRestraint(Object o) -> ISDRestraint"""
473 return _IMP_isd._object_cast_to_ISDRestraint(o)
475 _object_types.append(
"CrossLinkMSRestraint")
478 def _object_cast_to_CrossLinkMSRestraint(o):
479 r"""_object_cast_to_CrossLinkMSRestraint(Object o) -> CrossLinkMSRestraint"""
480 return _IMP_isd._object_cast_to_CrossLinkMSRestraint(o)
482 _object_types.append(
"LogWrapper")
485 def _object_cast_to_LogWrapper(o):
486 r"""_object_cast_to_LogWrapper(Object o) -> LogWrapper"""
487 return _IMP_isd._object_cast_to_LogWrapper(o)
489 _object_types.append(
"UniformPrior")
492 def _object_cast_to_UniformPrior(o):
493 r"""_object_cast_to_UniformPrior(Object o) -> UniformPrior"""
494 return _IMP_isd._object_cast_to_UniformPrior(o)
496 _object_types.append(
"JeffreysRestraint")
499 def _object_cast_to_JeffreysRestraint(o):
500 r"""_object_cast_to_JeffreysRestraint(Object o) -> JeffreysRestraint"""
501 return _IMP_isd._object_cast_to_JeffreysRestraint(o)
503 _object_types.append(
"NuisanceScoreState")
506 def _object_cast_to_NuisanceScoreState(o):
507 r"""_object_cast_to_NuisanceScoreState(Object o) -> NuisanceScoreState"""
508 return _IMP_isd._object_cast_to_NuisanceScoreState(o)
510 _object_types.append(
"NormalSigmaPCRestraint")
513 def _object_cast_to_NormalSigmaPCRestraint(o):
514 r"""_object_cast_to_NormalSigmaPCRestraint(Object o) -> NormalSigmaPCRestraint"""
515 return _IMP_isd._object_cast_to_NormalSigmaPCRestraint(o)
517 _object_types.append(
"vonMisesKappaJeffreysRestraint")
520 def _object_cast_to_vonMisesKappaJeffreysRestraint(o):
521 r"""_object_cast_to_vonMisesKappaJeffreysRestraint(Object o) -> vonMisesKappaJeffreysRestraint"""
522 return _IMP_isd._object_cast_to_vonMisesKappaJeffreysRestraint(o)
524 _object_types.append(
"vonMisesKappaConjugateRestraint")
527 def _object_cast_to_vonMisesKappaConjugateRestraint(o):
528 r"""_object_cast_to_vonMisesKappaConjugateRestraint(Object o) -> vonMisesKappaConjugateRestraint"""
529 return _IMP_isd._object_cast_to_vonMisesKappaConjugateRestraint(o)
531 _object_types.append(
"Distribution")
534 def _object_cast_to_Distribution(o):
535 r"""_object_cast_to_Distribution(Object o) -> Distribution"""
536 return _IMP_isd._object_cast_to_Distribution(o)
538 _object_types.append(
"OneDimensionalDistribution")
541 def _object_cast_to_OneDimensionalDistribution(o):
542 r"""_object_cast_to_OneDimensionalDistribution(Object o) -> OneDimensionalDistribution"""
543 return _IMP_isd._object_cast_to_OneDimensionalDistribution(o)
545 _object_types.append(
"OneDimensionalSufficientDistribution")
548 def _object_cast_to_OneDimensionalSufficientDistribution(o):
549 r"""_object_cast_to_OneDimensionalSufficientDistribution(Object o) -> OneDimensionalSufficientDistribution"""
550 return _IMP_isd._object_cast_to_OneDimensionalSufficientDistribution(o)
552 _object_types.append(
"FNormal")
555 def _object_cast_to_FNormal(o):
556 r"""_object_cast_to_FNormal(Object o) -> FNormal"""
557 return _IMP_isd._object_cast_to_FNormal(o)
559 _object_types.append(
"FStudentT")
562 def _object_cast_to_FStudentT(o):
563 r"""_object_cast_to_FStudentT(Object o) -> FStudentT"""
564 return _IMP_isd._object_cast_to_FStudentT(o)
566 _object_types.append(
"vonMises")
569 def _object_cast_to_vonMises(o):
570 r"""_object_cast_to_vonMises(Object o) -> vonMises"""
571 return _IMP_isd._object_cast_to_vonMises(o)
573 _object_types.append(
"vonMisesSufficient")
576 def _object_cast_to_vonMisesSufficient(o):
577 r"""_object_cast_to_vonMisesSufficient(Object o) -> vonMisesSufficient"""
578 return _IMP_isd._object_cast_to_vonMisesSufficient(o)
580 _object_types.append(
"PenalizedComplexityPrior")
583 def _object_cast_to_PenalizedComplexityPrior(o):
584 r"""_object_cast_to_PenalizedComplexityPrior(Object o) -> PenalizedComplexityPrior"""
585 return _IMP_isd._object_cast_to_PenalizedComplexityPrior(o)
588 return [Nuisance(x)
for x
in l]
589 _plural_types.append(
"Nuisances")
592 _value_types.append(
"Nuisance")
596 return [Scale(x)
for x
in l]
597 _plural_types.append(
"Scales")
600 _value_types.append(
"Scale")
603 def Switchings(l=[]):
604 return [Switching(x)
for x
in l]
605 _plural_types.append(
"Switchings")
608 _value_types.append(
"Switching")
611 _object_types.append(
"NOERestraint")
614 def _object_cast_to_NOERestraint(o):
615 r"""_object_cast_to_NOERestraint(Object o) -> NOERestraint"""
616 return _IMP_isd._object_cast_to_NOERestraint(o)
619 return [Weight(x)
for x
in l]
620 _plural_types.append(
"Weights")
623 _value_types.append(
"Weight")
626 _object_types.append(
"GaussianRestraint")
629 def _object_cast_to_GaussianRestraint(o):
630 r"""_object_cast_to_GaussianRestraint(Object o) -> GaussianRestraint"""
631 return _IMP_isd._object_cast_to_GaussianRestraint(o)
633 _object_types.append(
"StudentTRestraint")
636 def _object_cast_to_StudentTRestraint(o):
637 r"""_object_cast_to_StudentTRestraint(Object o) -> StudentTRestraint"""
638 return _IMP_isd._object_cast_to_StudentTRestraint(o)
640 _object_types.append(
"LognormalRestraint")
643 def _object_cast_to_LognormalRestraint(o):
644 r"""_object_cast_to_LognormalRestraint(Object o) -> LognormalRestraint"""
645 return _IMP_isd._object_cast_to_LognormalRestraint(o)
647 _object_types.append(
"LognormalAmbiguousRestraint")
650 def _object_cast_to_LognormalAmbiguousRestraint(o):
651 r"""_object_cast_to_LognormalAmbiguousRestraint(Object o) -> LognormalAmbiguousRestraint"""
652 return _IMP_isd._object_cast_to_LognormalAmbiguousRestraint(o)
654 _object_types.append(
"AmbiguousNOERestraint")
657 def _object_cast_to_AmbiguousNOERestraint(o):
658 r"""_object_cast_to_AmbiguousNOERestraint(Object o) -> AmbiguousNOERestraint"""
659 return _IMP_isd._object_cast_to_AmbiguousNOERestraint(o)
661 _object_types.append(
"MarginalNOERestraint")
664 def _object_cast_to_MarginalNOERestraint(o):
665 r"""_object_cast_to_MarginalNOERestraint(Object o) -> MarginalNOERestraint"""
666 return _IMP_isd._object_cast_to_MarginalNOERestraint(o)
668 _object_types.append(
"MarginalHBondRestraint")
671 def _object_cast_to_MarginalHBondRestraint(o):
672 r"""_object_cast_to_MarginalHBondRestraint(Object o) -> MarginalHBondRestraint"""
673 return _IMP_isd._object_cast_to_MarginalHBondRestraint(o)
675 _object_types.append(
"TALOSRestraint")
678 def _object_cast_to_TALOSRestraint(o):
679 r"""_object_cast_to_TALOSRestraint(Object o) -> TALOSRestraint"""
680 return _IMP_isd._object_cast_to_TALOSRestraint(o)
682 _object_types.append(
"RepulsiveDistancePairScore")
685 def _object_cast_to_RepulsiveDistancePairScore(o):
686 r"""_object_cast_to_RepulsiveDistancePairScore(Object o) -> RepulsiveDistancePairScore"""
687 return _IMP_isd._object_cast_to_RepulsiveDistancePairScore(o)
689 _object_types.append(
"AmbiguousRestraint")
692 def _object_cast_to_AmbiguousRestraint(o):
693 r"""_object_cast_to_AmbiguousRestraint(Object o) -> AmbiguousRestraint"""
694 return _IMP_isd._object_cast_to_AmbiguousRestraint(o)
696 _object_types.append(
"UnivariateFunction")
699 def _object_cast_to_UnivariateFunction(o):
700 r"""_object_cast_to_UnivariateFunction(Object o) -> UnivariateFunction"""
701 return _IMP_isd._object_cast_to_UnivariateFunction(o)
703 _object_types.append(
"Linear1DFunction")
706 def _object_cast_to_Linear1DFunction(o):
707 r"""_object_cast_to_Linear1DFunction(Object o) -> Linear1DFunction"""
708 return _IMP_isd._object_cast_to_Linear1DFunction(o)
710 _object_types.append(
"GeneralizedGuinierPorodFunction")
713 def _object_cast_to_GeneralizedGuinierPorodFunction(o):
714 r"""_object_cast_to_GeneralizedGuinierPorodFunction(Object o) -> GeneralizedGuinierPorodFunction"""
715 return _IMP_isd._object_cast_to_GeneralizedGuinierPorodFunction(o)
717 _object_types.append(
"BivariateFunction")
720 def _object_cast_to_BivariateFunction(o):
721 r"""_object_cast_to_BivariateFunction(Object o) -> BivariateFunction"""
722 return _IMP_isd._object_cast_to_BivariateFunction(o)
724 _object_types.append(
"Covariance1DFunction")
727 def _object_cast_to_Covariance1DFunction(o):
728 r"""_object_cast_to_Covariance1DFunction(Object o) -> Covariance1DFunction"""
729 return _IMP_isd._object_cast_to_Covariance1DFunction(o)
731 _object_types.append(
"GaussianProcessInterpolation")
734 def _object_cast_to_GaussianProcessInterpolation(o):
735 r"""_object_cast_to_GaussianProcessInterpolation(Object o) -> GaussianProcessInterpolation"""
736 return _IMP_isd._object_cast_to_GaussianProcessInterpolation(o)
738 _object_types.append(
"GaussianProcessInterpolationRestraint")
741 def _object_cast_to_GaussianProcessInterpolationRestraint(o):
742 r"""_object_cast_to_GaussianProcessInterpolationRestraint(Object o) -> GaussianProcessInterpolationRestraint"""
743 return _IMP_isd._object_cast_to_GaussianProcessInterpolationRestraint(o)
745 _object_types.append(
"MolecularDynamics")
748 _object_types.append(
"MolecularDynamicsMover")
751 def _object_cast_to_MolecularDynamicsMover(o):
752 r"""_object_cast_to_MolecularDynamicsMover(Object o) -> MolecularDynamicsMover"""
753 return _IMP_isd._object_cast_to_MolecularDynamicsMover(o)
755 _object_types.append(
"HybridMonteCarlo")
758 def _object_cast_to_HybridMonteCarlo(o):
759 r"""_object_cast_to_HybridMonteCarlo(Object o) -> HybridMonteCarlo"""
760 return _IMP_isd._object_cast_to_HybridMonteCarlo(o)
762 _object_types.append(
"FretData")
765 def _object_cast_to_FretData(o):
766 r"""_object_cast_to_FretData(Object o) -> FretData"""
767 return _IMP_isd._object_cast_to_FretData(o)
769 _object_types.append(
"FretRestraint")
772 def _object_cast_to_FretRestraint(o):
773 r"""_object_cast_to_FretRestraint(Object o) -> FretRestraint"""
774 return _IMP_isd._object_cast_to_FretRestraint(o)
776 _object_types.append(
"CrossLinkData")
779 def _object_cast_to_CrossLinkData(o):
780 r"""_object_cast_to_CrossLinkData(Object o) -> CrossLinkData"""
781 return _IMP_isd._object_cast_to_CrossLinkData(o)
783 _object_types.append(
"CysteineCrossLinkData")
786 def _object_cast_to_CysteineCrossLinkData(o):
787 r"""_object_cast_to_CysteineCrossLinkData(Object o) -> CysteineCrossLinkData"""
788 return _IMP_isd._object_cast_to_CysteineCrossLinkData(o)
790 _object_types.append(
"CysteineCrossLinkRestraint")
793 def _object_cast_to_CysteineCrossLinkRestraint(o):
794 r"""_object_cast_to_CysteineCrossLinkRestraint(Object o) -> CysteineCrossLinkRestraint"""
795 return _IMP_isd._object_cast_to_CysteineCrossLinkRestraint(o)
797 _object_types.append(
"WeightMover")
800 def _object_cast_to_WeightMover(o):
801 r"""_object_cast_to_WeightMover(Object o) -> WeightMover"""
802 return _IMP_isd._object_cast_to_WeightMover(o)
804 _object_types.append(
"WeightRestraint")
807 def _object_cast_to_WeightRestraint(o):
808 r"""_object_cast_to_WeightRestraint(Object o) -> WeightRestraint"""
809 return _IMP_isd._object_cast_to_WeightRestraint(o)
811 _object_types.append(
"AtomicCrossLinkMSRestraint")
814 def _object_cast_to_AtomicCrossLinkMSRestraint(o):
815 r"""_object_cast_to_AtomicCrossLinkMSRestraint(Object o) -> AtomicCrossLinkMSRestraint"""
816 return _IMP_isd._object_cast_to_AtomicCrossLinkMSRestraint(o)
818 _object_types.append(
"GaussianEMRestraint")
821 def _object_cast_to_GaussianEMRestraint(o):
822 r"""_object_cast_to_GaussianEMRestraint(Object o) -> GaussianEMRestraint"""
823 return _IMP_isd._object_cast_to_GaussianEMRestraint(o)
825 _object_types.append(
"GaussianAnchorEMRestraint")
828 def _object_cast_to_GaussianAnchorEMRestraint(o):
829 r"""_object_cast_to_GaussianAnchorEMRestraint(Object o) -> GaussianAnchorEMRestraint"""
830 return _IMP_isd._object_cast_to_GaussianAnchorEMRestraint(o)
832 _object_types.append(
"GammaPrior")
835 def _object_cast_to_GammaPrior(o):
836 r"""_object_cast_to_GammaPrior(Object o) -> GammaPrior"""
837 return _IMP_isd._object_cast_to_GammaPrior(o)
839 _object_types.append(
"ResidueProteinProximityRestraint")
842 def _object_cast_to_ResidueProteinProximityRestraint(o):
843 r"""_object_cast_to_ResidueProteinProximityRestraint(Object o) -> ResidueProteinProximityRestraint"""
844 return _IMP_isd._object_cast_to_ResidueProteinProximityRestraint(o)
846 def create_model_and_particles():
850 IMP.algebra.Vector3D(10,10,10))
851 for i
in range(0,100):
855 d.set_coordinates_are_optimized(
True)
859 r"""Proxy of C++ IMP::isd::ISDRestraint class."""
861 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
863 def __init__(self, m, name):
864 r"""__init__(ISDRestraint self, Model m, std::string name) -> ISDRestraint"""
865 if self.__class__ == ISDRestraint:
869 _IMP_isd.ISDRestraint_swiginit(self, _IMP_isd.new_ISDRestraint(_self, m, name))
871 if self.__class__ != ISDRestraint:
872 _director_objects.register(self)
877 def get_probability(self):
878 r"""get_probability(ISDRestraint self) -> double"""
879 return _IMP_isd.ISDRestraint_get_probability(self)
881 def unprotected_evaluate(self, accum):
882 r"""unprotected_evaluate(ISDRestraint self, DerivativeAccumulator accum) -> double"""
883 return _IMP_isd.ISDRestraint_unprotected_evaluate(self, accum)
886 r"""do_get_inputs(ISDRestraint self) -> IMP::ModelObjectsTemp"""
887 return _IMP_isd.ISDRestraint_do_get_inputs(self)
889 def get_type_name(self):
890 r"""get_type_name(ISDRestraint self) -> std::string"""
891 return _IMP_isd.ISDRestraint_get_type_name(self)
894 r"""get_version_info(ISDRestraint self) -> VersionInfo"""
895 return _IMP_isd.ISDRestraint_get_version_info(self)
896 __swig_destroy__ = _IMP_isd.delete_ISDRestraint
899 r"""__str__(ISDRestraint self) -> std::string"""
900 return _IMP_isd.ISDRestraint___str__(self)
903 r"""__repr__(ISDRestraint self) -> std::string"""
904 return _IMP_isd.ISDRestraint___repr__(self)
908 return _object_cast_to_ISDRestraint(o)
911 def do_show(self, out):
916 return _object_cast_to_ISDRestraint(o)
918 def __disown__(self):
920 _IMP_isd.disown_ISDRestraint(self)
921 return weakref.proxy(self)
924 r"""do_destroy(ISDRestraint self)"""
925 return _IMP_isd.ISDRestraint_do_destroy(self)
927 def handle_set_has_required_score_states(self, arg0):
928 r"""handle_set_has_required_score_states(ISDRestraint self, bool arg0)"""
929 return _IMP_isd.ISDRestraint_handle_set_has_required_score_states(self, arg0)
932 r"""do_get_outputs(ISDRestraint self) -> IMP::ModelObjectsTemp"""
933 return _IMP_isd.ISDRestraint_do_get_outputs(self)
935 def do_get_interactions(self):
936 r"""do_get_interactions(ISDRestraint self) -> IMP::ModelObjectsTemps"""
937 return _IMP_isd.ISDRestraint_do_get_interactions(self)
939 def do_create_decomposition(self):
940 r"""do_create_decomposition(ISDRestraint self) -> IMP::Restraints"""
941 return _IMP_isd.ISDRestraint_do_create_decomposition(self)
943 def do_create_current_decomposition(self):
944 r"""do_create_current_decomposition(ISDRestraint self) -> IMP::Restraints"""
945 return _IMP_isd.ISDRestraint_do_create_current_decomposition(self)
947 def do_add_score_and_derivatives(self, sa):
948 r"""do_add_score_and_derivatives(ISDRestraint self, ScoreAccumulator sa)"""
949 return _IMP_isd.ISDRestraint_do_add_score_and_derivatives(self, sa)
951 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
952 r"""do_add_score_and_derivatives_moved(ISDRestraint self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
953 return _IMP_isd.ISDRestraint_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
956 _IMP_isd.ISDRestraint_swigregister(ISDRestraint)
958 r"""Proxy of C++ IMP::isd::CrossLinkMSRestraint class."""
960 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
962 def __init__(self, *args):
964 __init__(CrossLinkMSRestraint self, Model m, double length, bool get_log_prob=False, std::string name="CrossLinkMSRestraint%1%") -> CrossLinkMSRestraint
965 __init__(CrossLinkMSRestraint self, Model m, _ParticleIndexAdaptor lengthi, bool get_log_prob=False, std::string name="CrossLinkMSRestraint%1%") -> CrossLinkMSRestraint
966 __init__(CrossLinkMSRestraint self, Model m, double length, double slope, bool get_log_prob=False, std::string name="CrossLinkMSRestraint%1%") -> CrossLinkMSRestraint
967 __init__(CrossLinkMSRestraint self) -> CrossLinkMSRestraint
969 _IMP_isd.CrossLinkMSRestraint_swiginit(self, _IMP_isd.new_CrossLinkMSRestraint(*args))
971 def set_source_protein1(self, protein1):
972 r"""set_source_protein1(CrossLinkMSRestraint self, std::string protein1)"""
973 return _IMP_isd.CrossLinkMSRestraint_set_source_protein1(self, protein1)
975 def get_source_protein1(self):
976 r"""get_source_protein1(CrossLinkMSRestraint self) -> std::string"""
977 return _IMP_isd.CrossLinkMSRestraint_get_source_protein1(self)
979 def set_source_protein2(self, protein2):
980 r"""set_source_protein2(CrossLinkMSRestraint self, std::string protein2)"""
981 return _IMP_isd.CrossLinkMSRestraint_set_source_protein2(self, protein2)
983 def get_source_protein2(self):
984 r"""get_source_protein2(CrossLinkMSRestraint self) -> std::string"""
985 return _IMP_isd.CrossLinkMSRestraint_get_source_protein2(self)
987 def set_source_residue1(self, residue1):
988 r"""set_source_residue1(CrossLinkMSRestraint self, int residue1)"""
989 return _IMP_isd.CrossLinkMSRestraint_set_source_residue1(self, residue1)
991 def get_source_residue1(self):
992 r"""get_source_residue1(CrossLinkMSRestraint self) -> int"""
993 return _IMP_isd.CrossLinkMSRestraint_get_source_residue1(self)
995 def set_source_residue2(self, residue2):
996 r"""set_source_residue2(CrossLinkMSRestraint self, int residue2)"""
997 return _IMP_isd.CrossLinkMSRestraint_set_source_residue2(self, residue2)
999 def get_source_residue2(self):
1000 r"""get_source_residue2(CrossLinkMSRestraint self) -> int"""
1001 return _IMP_isd.CrossLinkMSRestraint_get_source_residue2(self)
1003 def add_contribution(self, pps, sigmas, psi):
1004 r"""add_contribution(CrossLinkMSRestraint self, IMP::ParticleIndexPair const & pps, IMP::ParticleIndexPair const & sigmas, ParticleIndex psi)"""
1005 return _IMP_isd.CrossLinkMSRestraint_add_contribution(self, pps, sigmas, psi)
1007 def get_probability(self):
1008 r"""get_probability(CrossLinkMSRestraint self) -> double"""
1009 return _IMP_isd.CrossLinkMSRestraint_get_probability(self)
1011 def get_length(self):
1012 r"""get_length(CrossLinkMSRestraint self) -> double"""
1013 return _IMP_isd.CrossLinkMSRestraint_get_length(self)
1015 def get_is_length_variable(self):
1016 r"""get_is_length_variable(CrossLinkMSRestraint self) -> bool"""
1017 return _IMP_isd.CrossLinkMSRestraint_get_is_length_variable(self)
1019 def get_has_slope(self):
1020 r"""get_has_slope(CrossLinkMSRestraint self) -> bool"""
1021 return _IMP_isd.CrossLinkMSRestraint_get_has_slope(self)
1023 def get_slope(self):
1024 r"""get_slope(CrossLinkMSRestraint self) -> double"""
1025 return _IMP_isd.CrossLinkMSRestraint_get_slope(self)
1027 def get_log_prob(self):
1028 r"""get_log_prob(CrossLinkMSRestraint self) -> bool"""
1029 return _IMP_isd.CrossLinkMSRestraint_get_log_prob(self)
1031 def get_contribution_sigma_indexes(self, i):
1032 r"""get_contribution_sigma_indexes(CrossLinkMSRestraint self, int i) -> IMP::ParticleIndexPair"""
1033 return _IMP_isd.CrossLinkMSRestraint_get_contribution_sigma_indexes(self, i)
1035 def get_contribution_psi_index(self, i):
1036 r"""get_contribution_psi_index(CrossLinkMSRestraint self, int i) -> ParticleIndex"""
1037 return _IMP_isd.CrossLinkMSRestraint_get_contribution_psi_index(self, i)
1039 def get_contribution_particle_indexes(self, i):
1040 r"""get_contribution_particle_indexes(CrossLinkMSRestraint self, int i) -> IMP::ParticleIndexPair"""
1041 return _IMP_isd.CrossLinkMSRestraint_get_contribution_particle_indexes(self, i)
1043 def get_number_of_contributions(self):
1044 r"""get_number_of_contributions(CrossLinkMSRestraint self) -> unsigned int"""
1045 return _IMP_isd.CrossLinkMSRestraint_get_number_of_contributions(self)
1048 r"""do_get_inputs(CrossLinkMSRestraint self) -> IMP::ModelObjectsTemp"""
1049 return _IMP_isd.CrossLinkMSRestraint_do_get_inputs(self)
1052 r"""get_version_info(CrossLinkMSRestraint self) -> VersionInfo"""
1053 return _IMP_isd.CrossLinkMSRestraint_get_version_info(self)
1054 __swig_destroy__ = _IMP_isd.delete_CrossLinkMSRestraint
1057 r"""__str__(CrossLinkMSRestraint self) -> std::string"""
1058 return _IMP_isd.CrossLinkMSRestraint___str__(self)
1061 r"""__repr__(CrossLinkMSRestraint self) -> std::string"""
1062 return _IMP_isd.CrossLinkMSRestraint___repr__(self)
1066 return _object_cast_to_CrossLinkMSRestraint(o)
1069 def _get_as_binary(self):
1070 r"""_get_as_binary(CrossLinkMSRestraint self) -> PyObject *"""
1071 return _IMP_isd.CrossLinkMSRestraint__get_as_binary(self)
1073 def _set_from_binary(self, p):
1074 r"""_set_from_binary(CrossLinkMSRestraint self, PyObject * p)"""
1075 return _IMP_isd.CrossLinkMSRestraint__set_from_binary(self, p)
1077 def __getstate__(self):
1078 p = self._get_as_binary()
1079 if len(self.__dict__) > 1:
1080 d = self.__dict__.copy()
1085 def __setstate__(self, p):
1086 if not hasattr(self,
'this'):
1088 if isinstance(p, tuple):
1090 self.__dict__.update(d)
1091 return self._set_from_binary(p)
1094 def _get_contributions_sigma_numpy(self):
1096 n = self.get_number_of_contributions()
1097 ret = numpy.empty((n, 2), int)
1099 ret[i] = self.get_contribution_sigma_indexes(i)
1102 def _get_contributions_psi_numpy(self):
1104 n = self.get_number_of_contributions()
1105 ret = numpy.empty(n, int)
1107 ret[i] = self.get_contribution_psi_index(i)
1110 def _get_contributions_particles_numpy(self):
1112 n = self.get_number_of_contributions()
1113 ret = numpy.empty((n, 2), int)
1115 ret[i] = self.get_contribution_particle_indexes(i)
1118 def _get_jax(self, space):
1119 import jax.numpy
as jnp
1122 def sphere_cap(r1, r2, d):
1123 short_range = jnp.minimum(4.0 / 3.0 * math.pi * r1 * r1 * r1,
1124 4.0 / 3.0 * math.pi * r2 * r2 * r2)
1125 mid_range = ((math.pi / 12 / d * (r1 + r2 - d) * (r1 + r2 - d)) *
1126 (d * d + 2 * d * r1 - 3 * r1 * r1 + 2 * d * r2
1127 + 6 * r1 * r2 - 3 * r2 * r2))
1129 d <= jnp.absolute(r1 - r2), short_range,
1130 jnp.where(d >= r1 + r2, 0., mid_range))
1132 def get_probability(xyz, r, scale, ps, sigma, psi, length,
1138 dist = jnp.where(ps[:, 0] == ps[:, 1],
1139 36.0 / 35.0 * r[ps[:, 0]],
1140 space.distance(xyz[ps[:, 0]] - xyz[ps[:, 1]]))
1141 dist = jnp.maximum(dist, 0.0001)
1143 sigmai = scale[sigma[:, 0]]
1144 sigmaj = scale[sigma[:, 1]]
1146 voli = 4.0 / 3.0 * math.pi * sigmai * sigmai * sigmai
1147 volj = 4.0 / 3.0 * math.pi * sigmaj * sigmaj * sigmaj
1148 xlvol = (4.0 / 3.0 * math.pi * (length / 2.)
1149 * (length / 2.) * (length / 2.))
1151 close = dist < sigmai + sigmaj
1153 close, jnp.minimum(voli, xlvol),
1154 sphere_cap(sigmai, length / 2.,
1155 jnp.abs(dist - sigmaj - length / 2.)))
1157 close, jnp.minimum(volj, xlvol),
1158 sphere_cap(sigmaj, length / 2.,
1159 jnp.abs(dist - sigmai - length / 2.)))
1161 pofr = fi * fj / voli / volj
1162 term = psi * (1.0 - pofr) + pofr * (1.0 - psi)
1163 if slope
is not None:
1164 prior = jnp.exp(-slope * dist)
1166 onemprob = 1.0 - term
1168 return 1.0 - jnp.prod(onemprob)
1170 if self.get_is_length_variable():
1171 raise NotImplementedError(
"Only implemented for fixed-length")
1172 sigma = self._get_contributions_sigma_numpy()
1173 psi = self._get_contributions_psi_numpy()
1174 pis = self._get_contributions_particles_numpy()
1175 get_log_prob = self.get_log_prob()
1176 length = self.get_length()
1177 slope = self.get_slope()
if self.get_has_slope()
else None
1179 def jax_restraint(X):
1180 prob = get_probability(X[
'xyz'], X[
'r'], X['nuisance'], pis,
1181 sigma, psi, length, slope)
1183 return -jnp.log(prob)
1187 return self._wrap_jax(jax_restraint,
1192 _IMP_isd.CrossLinkMSRestraint_swigregister(CrossLinkMSRestraint)
1194 r"""Proxy of C++ IMP::isd::LogWrapper class."""
1196 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1198 def __init__(self, *args):
1200 __init__(LogWrapper self, Model m, double weight, std::string const & name="LogWrapper %1%") -> LogWrapper
1201 __init__(LogWrapper self, Model m, std::string const & name="LogWrapper %1%") -> LogWrapper
1202 __init__(LogWrapper self, IMP::RestraintsTemp const & rs, double weight, std::string const & name="LogWrapper %1%") -> LogWrapper
1203 __init__(LogWrapper self) -> LogWrapper
1205 _IMP_isd.LogWrapper_swiginit(self, _IMP_isd.new_LogWrapper(*args))
1207 def do_add_score_and_derivatives(self, sa):
1208 r"""do_add_score_and_derivatives(LogWrapper self, ScoreAccumulator sa)"""
1209 return _IMP_isd.LogWrapper_do_add_score_and_derivatives(self, sa)
1211 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
1212 r"""do_add_score_and_derivatives_moved(LogWrapper self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
1213 return _IMP_isd.LogWrapper_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
1214 __swig_destroy__ = _IMP_isd.delete_LogWrapper
1217 r"""__str__(LogWrapper self) -> std::string"""
1218 return _IMP_isd.LogWrapper___str__(self)
1221 r"""__repr__(LogWrapper self) -> std::string"""
1222 return _IMP_isd.LogWrapper___repr__(self)
1226 return _object_cast_to_LogWrapper(o)
1229 def _get_as_binary(self):
1230 r"""_get_as_binary(LogWrapper self) -> PyObject *"""
1231 return _IMP_isd.LogWrapper__get_as_binary(self)
1233 def _set_from_binary(self, p):
1234 r"""_set_from_binary(LogWrapper self, PyObject * p)"""
1235 return _IMP_isd.LogWrapper__set_from_binary(self, p)
1237 def __getstate__(self):
1238 p = self._get_as_binary()
1239 if len(self.__dict__) > 1:
1240 d = self.__dict__.copy()
1245 def __setstate__(self, p):
1246 if not hasattr(self,
'this'):
1248 if isinstance(p, tuple):
1250 self.__dict__.update(d)
1251 return self._set_from_binary(p)
1254 def _get_jax(self, space):
1255 import jax.numpy
as jnp
1256 funcs, keys = self._get_restraint_jax_funcs_keys(space)
1258 scores = jnp.asarray([f(jm)
for f
in funcs])
1259 return -jnp.sum(jnp.log(scores))
1260 return self._wrap_jax(jax_sf, keys=keys)
1264 _IMP_isd.LogWrapper_swigregister(LogWrapper)
1266 r"""Proxy of C++ IMP::isd::UniformPrior class."""
1268 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1270 def __init__(self, *args):
1272 __init__(UniformPrior self, Model m, Particle p, double k, double upperb, double lowerb, std::string name="UniformPrior%1%") -> UniformPrior
1273 __init__(UniformPrior self) -> UniformPrior
1275 _IMP_isd.UniformPrior_swiginit(self, _IMP_isd.new_UniformPrior(*args))
1278 r"""do_get_inputs(UniformPrior self) -> IMP::ModelObjectsTemp"""
1279 return _IMP_isd.UniformPrior_do_get_inputs(self)
1282 r"""get_version_info(UniformPrior self) -> VersionInfo"""
1283 return _IMP_isd.UniformPrior_get_version_info(self)
1284 __swig_destroy__ = _IMP_isd.delete_UniformPrior
1286 def get_probability(self):
1287 r"""get_probability(UniformPrior self) -> double"""
1288 return _IMP_isd.UniformPrior_get_probability(self)
1290 def get_range(self):
1291 r"""get_range(UniformPrior self) -> IMP::FloatRange"""
1292 return _IMP_isd.UniformPrior_get_range(self)
1295 r"""get_k(UniformPrior self) -> double"""
1296 return _IMP_isd.UniformPrior_get_k(self)
1299 r"""get_index(UniformPrior self) -> ParticleIndex"""
1300 return _IMP_isd.UniformPrior_get_index(self)
1303 r"""__str__(UniformPrior self) -> std::string"""
1304 return _IMP_isd.UniformPrior___str__(self)
1307 r"""__repr__(UniformPrior self) -> std::string"""
1308 return _IMP_isd.UniformPrior___repr__(self)
1312 return _object_cast_to_UniformPrior(o)
1315 def _get_as_binary(self):
1316 r"""_get_as_binary(UniformPrior self) -> PyObject *"""
1317 return _IMP_isd.UniformPrior__get_as_binary(self)
1319 def _set_from_binary(self, p):
1320 r"""_set_from_binary(UniformPrior self, PyObject * p)"""
1321 return _IMP_isd.UniformPrior__set_from_binary(self, p)
1323 def __getstate__(self):
1324 p = self._get_as_binary()
1325 if len(self.__dict__) > 1:
1326 d = self.__dict__.copy()
1331 def __setstate__(self, p):
1332 if not hasattr(self,
'this'):
1334 if isinstance(p, tuple):
1336 self.__dict__.update(d)
1337 return self._set_from_binary(p)
1340 def _get_jax(self, space):
1341 import jax.numpy
as jnp
1342 def score(jm, lb, ub, k, index):
1343 nuisance = jm[
'nuisance'][index]
1344 return 0.5 * k * (nuisance - jnp.clip(nuisance, lb, ub)) ** 2
1345 rng = self.get_range()
1346 f = functools.partial(score, lb=rng[0], ub=rng[1], k=self.get_k(),
1347 index=self.get_index())
1348 return self._wrap_jax(f, keys=[Scale.get_scale_key()])
1352 _IMP_isd.UniformPrior_swigregister(UniformPrior)
1354 r"""Proxy of C++ IMP::isd::Nuisance class."""
1356 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1358 def __init__(self, *args):
1360 __init__(Nuisance self) -> Nuisance
1361 __init__(Nuisance self, Model m, ParticleIndex id) -> Nuisance
1362 __init__(Nuisance self, _ParticleAdaptor d) -> Nuisance
1364 _IMP_isd.Nuisance_swiginit(self, _IMP_isd.new_Nuisance(*args))
1366 def show(self, *args):
1367 r"""show(Nuisance self, _ostream out=std::cout)"""
1368 return _IMP_isd.Nuisance_show(self, *args)
1371 def setup_particle(*args):
1373 setup_particle(Model m, ParticleIndex pi) -> Nuisance
1374 setup_particle(_ParticleAdaptor pa) -> Nuisance
1375 setup_particle(Model m, ParticleIndex pi, double nuisance) -> Nuisance
1376 setup_particle(_ParticleAdaptor pa, double nuisance) -> Nuisance
1378 return _IMP_isd.Nuisance_setup_particle(*args)
1381 def get_is_setup(*args):
1383 get_is_setup(_ParticleAdaptor p) -> bool
1384 get_is_setup(Model m, ParticleIndex pi) -> bool
1386 return _IMP_isd.Nuisance_get_is_setup(*args)
1389 def get_nuisance_key():
1390 r"""get_nuisance_key() -> FloatKey"""
1391 return _IMP_isd.Nuisance_get_nuisance_key()
1393 def get_nuisance(self):
1394 r"""get_nuisance(Nuisance self) -> IMP::Float"""
1395 return _IMP_isd.Nuisance_get_nuisance(self)
1397 def set_nuisance(self, d):
1398 r"""set_nuisance(Nuisance self, IMP::Float d)"""
1399 return _IMP_isd.Nuisance_set_nuisance(self, d)
1401 def get_has_lower(self):
1402 r"""get_has_lower(Nuisance self) -> bool"""
1403 return _IMP_isd.Nuisance_get_has_lower(self)
1405 def get_has_lower_float(self):
1406 r"""get_has_lower_float(Nuisance self) -> bool"""
1407 return _IMP_isd.Nuisance_get_has_lower_float(self)
1409 def get_has_lower_particle(self):
1410 r"""get_has_lower_particle(Nuisance self) -> bool"""
1411 return _IMP_isd.Nuisance_get_has_lower_particle(self)
1413 def get_lower(self):
1414 r"""get_lower(Nuisance self) -> IMP::Float"""
1415 return _IMP_isd.Nuisance_get_lower(self)
1418 def get_lower_key():
1419 r"""get_lower_key() -> FloatKey"""
1420 return _IMP_isd.Nuisance_get_lower_key()
1423 def get_lower_particle_key():
1424 r"""get_lower_particle_key() -> ParticleIndexKey"""
1425 return _IMP_isd.Nuisance_get_lower_particle_key()
1427 def set_lower(self, *args):
1429 set_lower(Nuisance self, IMP::Float d)
1430 set_lower(Nuisance self, Particle d)
1432 return _IMP_isd.Nuisance_set_lower(self, *args)
1434 def remove_lower(self):
1435 r"""remove_lower(Nuisance self)"""
1436 return _IMP_isd.Nuisance_remove_lower(self)
1438 def get_has_upper(self):
1439 r"""get_has_upper(Nuisance self) -> bool"""
1440 return _IMP_isd.Nuisance_get_has_upper(self)
1442 def get_has_upper_float(self):
1443 r"""get_has_upper_float(Nuisance self) -> bool"""
1444 return _IMP_isd.Nuisance_get_has_upper_float(self)
1446 def get_has_upper_particle(self):
1447 r"""get_has_upper_particle(Nuisance self) -> bool"""
1448 return _IMP_isd.Nuisance_get_has_upper_particle(self)
1450 def get_upper(self):
1451 r"""get_upper(Nuisance self) -> IMP::Float"""
1452 return _IMP_isd.Nuisance_get_upper(self)
1455 def get_upper_key():
1456 r"""get_upper_key() -> FloatKey"""
1457 return _IMP_isd.Nuisance_get_upper_key()
1460 def get_upper_particle_key():
1461 r"""get_upper_particle_key() -> ParticleIndexKey"""
1462 return _IMP_isd.Nuisance_get_upper_particle_key()
1464 def set_upper(self, *args):
1466 set_upper(Nuisance self, IMP::Float d)
1467 set_upper(Nuisance self, Particle d)
1469 return _IMP_isd.Nuisance_set_upper(self, *args)
1471 def remove_upper(self):
1472 r"""remove_upper(Nuisance self)"""
1473 return _IMP_isd.Nuisance_remove_upper(self)
1475 def get_nuisance_derivative(self):
1476 r"""get_nuisance_derivative(Nuisance self) -> IMP::Float"""
1477 return _IMP_isd.Nuisance_get_nuisance_derivative(self)
1479 def add_to_nuisance_derivative(self, d, accum):
1480 r"""add_to_nuisance_derivative(Nuisance self, IMP::Float d, DerivativeAccumulator accum)"""
1481 return _IMP_isd.Nuisance_add_to_nuisance_derivative(self, d, accum)
1483 def get_nuisance_is_optimized(self):
1484 r"""get_nuisance_is_optimized(Nuisance self) -> bool"""
1485 return _IMP_isd.Nuisance_get_nuisance_is_optimized(self)
1487 def set_nuisance_is_optimized(self, val):
1488 r"""set_nuisance_is_optimized(Nuisance self, bool val)"""
1489 return _IMP_isd.Nuisance_set_nuisance_is_optimized(self, val)
1491 def add_attribute(self, *args):
1493 add_attribute(Nuisance self, FloatKey k, IMP::Float v, bool opt)
1494 add_attribute(Nuisance self, FloatKey a0, IMP::Float a1)
1495 add_attribute(Nuisance self, IntKey a0, IMP::Int a1)
1496 add_attribute(Nuisance self, FloatsKey a0, IMP::Floats a1)
1497 add_attribute(Nuisance self, IntsKey a0, IMP::Ints a1)
1498 add_attribute(Nuisance self, StringKey a0, IMP::String a1)
1499 add_attribute(Nuisance self, ParticleIndexKey a0, Particle a1)
1500 add_attribute(Nuisance self, ObjectKey a0, Object a1)
1501 add_attribute(Nuisance self, SparseFloatKey a0, IMP::Float a1)
1502 add_attribute(Nuisance self, SparseIntKey a0, IMP::Int a1)
1503 add_attribute(Nuisance self, SparseStringKey a0, IMP::String a1)
1504 add_attribute(Nuisance self, SparseParticleIndexKey a0, ParticleIndex a1)
1506 return _IMP_isd.Nuisance_add_attribute(self, *args)
1508 def get_value(self, *args):
1510 get_value(Nuisance self, FloatKey a0) -> IMP::Float
1511 get_value(Nuisance self, IntKey a0) -> IMP::Int
1512 get_value(Nuisance self, FloatsKey a0) -> IMP::Floats
1513 get_value(Nuisance self, IntsKey a0) -> IMP::Ints
1514 get_value(Nuisance self, StringKey a0) -> IMP::String
1515 get_value(Nuisance self, ParticleIndexKey a0) -> Particle
1516 get_value(Nuisance self, ObjectKey a0) -> Object
1517 get_value(Nuisance self, SparseFloatKey a0) -> IMP::Float
1518 get_value(Nuisance self, SparseIntKey a0) -> IMP::Int
1519 get_value(Nuisance self, SparseStringKey a0) -> IMP::String
1520 get_value(Nuisance self, SparseParticleIndexKey a0) -> ParticleIndex
1522 return _IMP_isd.Nuisance_get_value(self, *args)
1524 def set_value(self, *args):
1526 set_value(Nuisance self, FloatKey a0, IMP::Float a1)
1527 set_value(Nuisance self, IntKey a0, IMP::Int a1)
1528 set_value(Nuisance self, FloatsKey a0, IMP::Floats a1)
1529 set_value(Nuisance self, IntsKey a0, IMP::Ints a1)
1530 set_value(Nuisance self, StringKey a0, IMP::String a1)
1531 set_value(Nuisance self, ParticleIndexKey a0, Particle a1)
1532 set_value(Nuisance self, ObjectKey a0, Object a1)
1533 set_value(Nuisance self, SparseFloatKey a0, IMP::Float a1)
1534 set_value(Nuisance self, SparseIntKey a0, IMP::Int a1)
1535 set_value(Nuisance self, SparseStringKey a0, IMP::String a1)
1536 set_value(Nuisance self, SparseParticleIndexKey a0, ParticleIndex a1)
1538 return _IMP_isd.Nuisance_set_value(self, *args)
1540 def remove_attribute(self, *args):
1542 remove_attribute(Nuisance self, FloatKey a0)
1543 remove_attribute(Nuisance self, IntKey a0)
1544 remove_attribute(Nuisance self, FloatsKey a0)
1545 remove_attribute(Nuisance self, IntsKey a0)
1546 remove_attribute(Nuisance self, StringKey a0)
1547 remove_attribute(Nuisance self, ParticleIndexKey a0)
1548 remove_attribute(Nuisance self, ObjectKey a0)
1549 remove_attribute(Nuisance self, SparseFloatKey a0)
1550 remove_attribute(Nuisance self, SparseIntKey a0)
1551 remove_attribute(Nuisance self, SparseStringKey a0)
1552 remove_attribute(Nuisance self, SparseParticleIndexKey a0)
1554 return _IMP_isd.Nuisance_remove_attribute(self, *args)
1556 def has_attribute(self, *args):
1558 has_attribute(Nuisance self, FloatKey a0) -> bool
1559 has_attribute(Nuisance self, IntKey a0) -> bool
1560 has_attribute(Nuisance self, FloatsKey a0) -> bool
1561 has_attribute(Nuisance self, IntsKey a0) -> bool
1562 has_attribute(Nuisance self, StringKey a0) -> bool
1563 has_attribute(Nuisance self, ParticleIndexKey a0) -> bool
1564 has_attribute(Nuisance self, ObjectKey a0) -> bool
1565 has_attribute(Nuisance self, SparseFloatKey a0) -> bool
1566 has_attribute(Nuisance self, SparseIntKey a0) -> bool
1567 has_attribute(Nuisance self, SparseStringKey a0) -> bool
1568 has_attribute(Nuisance self, SparseParticleIndexKey a0) -> bool
1570 return _IMP_isd.Nuisance_has_attribute(self, *args)
1572 def get_derivative(self, a0):
1573 r"""get_derivative(Nuisance self, FloatKey a0) -> double"""
1574 return _IMP_isd.Nuisance_get_derivative(self, a0)
1577 r"""get_name(Nuisance self) -> std::string"""
1578 return _IMP_isd.Nuisance_get_name(self)
1581 r"""clear_caches(Nuisance self)"""
1582 return _IMP_isd.Nuisance_clear_caches(self)
1584 def set_name(self, a0):
1585 r"""set_name(Nuisance self, std::string a0)"""
1586 return _IMP_isd.Nuisance_set_name(self, a0)
1589 r"""set_check_level(Nuisance self, IMP::CheckLevel a0)"""
1590 return _IMP_isd.Nuisance_set_check_level(self, a0)
1592 def add_to_derivative(self, a0, a1, a2):
1593 r"""add_to_derivative(Nuisance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1594 return _IMP_isd.Nuisance_add_to_derivative(self, a0, a1, a2)
1596 def set_is_optimized(self, a0, a1):
1597 r"""set_is_optimized(Nuisance self, FloatKey a0, bool a1)"""
1598 return _IMP_isd.Nuisance_set_is_optimized(self, a0, a1)
1600 def get_is_optimized(self, a0):
1601 r"""get_is_optimized(Nuisance self, FloatKey a0) -> bool"""
1602 return _IMP_isd.Nuisance_get_is_optimized(self, a0)
1604 def get_check_level(self):
1605 r"""get_check_level(Nuisance self) -> IMP::CheckLevel"""
1606 return _IMP_isd.Nuisance_get_check_level(self)
1608 def __eq__(self, *args):
1610 __eq__(Nuisance self, Nuisance o) -> bool
1611 __eq__(Nuisance self, Particle d) -> bool
1613 return _IMP_isd.Nuisance___eq__(self, *args)
1615 def __ne__(self, *args):
1617 __ne__(Nuisance self, Nuisance o) -> bool
1618 __ne__(Nuisance self, Particle d) -> bool
1620 return _IMP_isd.Nuisance___ne__(self, *args)
1622 def __le__(self, *args):
1624 __le__(Nuisance self, Nuisance o) -> bool
1625 __le__(Nuisance self, Particle d) -> bool
1627 return _IMP_isd.Nuisance___le__(self, *args)
1629 def __lt__(self, *args):
1631 __lt__(Nuisance self, Nuisance o) -> bool
1632 __lt__(Nuisance self, Particle d) -> bool
1634 return _IMP_isd.Nuisance___lt__(self, *args)
1636 def __ge__(self, *args):
1638 __ge__(Nuisance self, Nuisance o) -> bool
1639 __ge__(Nuisance self, Particle d) -> bool
1641 return _IMP_isd.Nuisance___ge__(self, *args)
1643 def __gt__(self, *args):
1645 __gt__(Nuisance self, Nuisance o) -> bool
1646 __gt__(Nuisance self, Particle d) -> bool
1648 return _IMP_isd.Nuisance___gt__(self, *args)
1651 r"""__hash__(Nuisance self) -> std::size_t"""
1652 return _IMP_isd.Nuisance___hash__(self)
1655 r"""__str__(Nuisance self) -> std::string"""
1656 return _IMP_isd.Nuisance___str__(self)
1659 r"""__repr__(Nuisance self) -> std::string"""
1660 return _IMP_isd.Nuisance___repr__(self)
1662 def _get_as_binary(self):
1663 r"""_get_as_binary(Nuisance self) -> PyObject *"""
1664 return _IMP_isd.Nuisance__get_as_binary(self)
1666 def _set_from_binary(self, p):
1667 r"""_set_from_binary(Nuisance self, PyObject * p)"""
1668 return _IMP_isd.Nuisance__set_from_binary(self, p)
1670 def __getstate__(self):
1671 p = self._get_as_binary()
1672 if len(self.__dict__) > 1:
1673 d = self.__dict__.copy()
1678 def __setstate__(self, p):
1679 if not hasattr(self,
'this'):
1681 if isinstance(p, tuple):
1683 self.__dict__.update(d)
1684 return self._set_from_binary(p)
1686 __swig_destroy__ = _IMP_isd.delete_Nuisance
1689 _IMP_isd.Nuisance_swigregister(Nuisance)
1691 r"""Proxy of C++ IMP::isd::NuisanceScoreState class."""
1693 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1695 def __init__(self, *args):
1697 __init__(NuisanceScoreState self, Particle p) -> NuisanceScoreState
1698 __init__(NuisanceScoreState self) -> NuisanceScoreState
1700 _IMP_isd.NuisanceScoreState_swiginit(self, _IMP_isd.new_NuisanceScoreState(*args))
1703 r"""get_index(NuisanceScoreState self) -> ParticleIndex"""
1704 return _IMP_isd.NuisanceScoreState_get_index(self)
1706 def do_before_evaluate(self):
1707 r"""do_before_evaluate(NuisanceScoreState self)"""
1708 return _IMP_isd.NuisanceScoreState_do_before_evaluate(self)
1710 def do_after_evaluate(self, da):
1711 r"""do_after_evaluate(NuisanceScoreState self, DerivativeAccumulator da)"""
1712 return _IMP_isd.NuisanceScoreState_do_after_evaluate(self, da)
1715 r"""do_get_inputs(NuisanceScoreState self) -> IMP::ModelObjectsTemp"""
1716 return _IMP_isd.NuisanceScoreState_do_get_inputs(self)
1719 r"""do_get_outputs(NuisanceScoreState self) -> IMP::ModelObjectsTemp"""
1720 return _IMP_isd.NuisanceScoreState_do_get_outputs(self)
1723 r"""get_version_info(NuisanceScoreState self) -> VersionInfo"""
1724 return _IMP_isd.NuisanceScoreState_get_version_info(self)
1725 __swig_destroy__ = _IMP_isd.delete_NuisanceScoreState
1728 r"""__str__(NuisanceScoreState self) -> std::string"""
1729 return _IMP_isd.NuisanceScoreState___str__(self)
1732 r"""__repr__(NuisanceScoreState self) -> std::string"""
1733 return _IMP_isd.NuisanceScoreState___repr__(self)
1737 return _object_cast_to_NuisanceScoreState(o)
1740 def _get_as_binary(self):
1741 r"""_get_as_binary(NuisanceScoreState self) -> PyObject *"""
1742 return _IMP_isd.NuisanceScoreState__get_as_binary(self)
1744 def _set_from_binary(self, p):
1745 r"""_set_from_binary(NuisanceScoreState self, PyObject * p)"""
1746 return _IMP_isd.NuisanceScoreState__set_from_binary(self, p)
1748 def __getstate__(self):
1749 p = self._get_as_binary()
1750 if len(self.__dict__) > 1:
1751 d = self.__dict__.copy()
1756 def __setstate__(self, p):
1757 if not hasattr(self,
'this'):
1759 if isinstance(p, tuple):
1761 self.__dict__.update(d)
1762 return self._set_from_binary(p)
1768 import jax.numpy
as jnp
1769 import IMP._jax_util
1770 def apply_func(jm, index, upper_f, upper_p, lower_f, lower_p):
1771 nuisances = jm[
'nuisance']
1772 up = jm[
'upper'][index]
if upper_f
else math.inf
1774 up = jax.lax.min(up, nuisances[jm[
'p_upper'][index]])
1775 low = jm[
'lower'][index]
if lower_f
else -math.inf
1777 low = jax.lax.max(low, nuisances[jm[
'p_lower'][index]])
1778 jm[
'nuisance'] = jm[
'nuisance'].at[index].set(
1779 jnp.clip(nuisances[index], low, up))
1781 p = self.get_index()
1782 m = self.get_model()
1784 upper_f, upper_p = n.get_has_upper_float(), n.get_has_upper_particle()
1785 lower_f, lower_p = n.get_has_lower_float(), n.get_has_lower_particle()
1786 if upper_p
or lower_p:
1790 keys = [IMP._jax_util._DenseKey(n.get_nuisance_key())]
1792 keys = [n.get_nuisance_key()]
1794 keys.append(n.get_upper_key())
1796 keys.append(n.get_upper_particle_key())
1798 keys.append(n.get_lower_key())
1800 keys.append(n.get_lower_particle_key())
1801 f = functools.partial(apply_func, index=p, upper_f=upper_f,
1802 upper_p=upper_p, lower_f=lower_f,
1804 return self._wrap_jax(f, keys)
1808 _IMP_isd.NuisanceScoreState_swigregister(NuisanceScoreState)
1809 class Scale(Nuisance):
1810 r"""Proxy of C++ IMP::isd::Scale class."""
1812 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1814 def __init__(self, *args):
1816 __init__(Scale self) -> Scale
1817 __init__(Scale self, Model m, ParticleIndex id) -> Scale
1818 __init__(Scale self, _ParticleAdaptor d) -> Scale
1820 _IMP_isd.Scale_swiginit(self, _IMP_isd.new_Scale(*args))
1822 def show(self, *args):
1823 r"""show(Scale self, _ostream out=std::cout)"""
1824 return _IMP_isd.Scale_show(self, *args)
1827 def setup_particle(*args):
1829 setup_particle(Model m, ParticleIndex pi) -> Scale
1830 setup_particle(_ParticleAdaptor pa) -> Scale
1831 setup_particle(Model m, ParticleIndex pi, double scale) -> Scale
1832 setup_particle(_ParticleAdaptor pa, double scale) -> Scale
1834 return _IMP_isd.Scale_setup_particle(*args)
1837 def get_is_setup(*args):
1839 get_is_setup(_ParticleAdaptor p) -> bool
1840 get_is_setup(Model m, ParticleIndex pi) -> bool
1842 return _IMP_isd.Scale_get_is_setup(*args)
1844 def get_scale(self):
1845 r"""get_scale(Scale self) -> IMP::Float"""
1846 return _IMP_isd.Scale_get_scale(self)
1848 def set_scale(self, d):
1849 r"""set_scale(Scale self, IMP::Float d)"""
1850 return _IMP_isd.Scale_set_scale(self, d)
1852 def add_to_scale_derivative(self, d, accum):
1853 r"""add_to_scale_derivative(Scale self, IMP::Float d, DerivativeAccumulator accum)"""
1854 return _IMP_isd.Scale_add_to_scale_derivative(self, d, accum)
1856 def get_scale_derivative(self):
1857 r"""get_scale_derivative(Scale self) -> IMP::Float"""
1858 return _IMP_isd.Scale_get_scale_derivative(self)
1861 def get_scale_key():
1862 r"""get_scale_key() -> FloatKey"""
1863 return _IMP_isd.Scale_get_scale_key()
1865 def get_scale_is_optimized(self):
1866 r"""get_scale_is_optimized(Scale self) -> bool"""
1867 return _IMP_isd.Scale_get_scale_is_optimized(self)
1869 def set_scale_is_optimized(self, val):
1870 r"""set_scale_is_optimized(Scale self, bool val)"""
1871 return _IMP_isd.Scale_set_scale_is_optimized(self, val)
1873 def add_attribute(self, *args):
1875 add_attribute(Scale self, FloatKey k, IMP::Float v, bool opt)
1876 add_attribute(Scale self, FloatKey a0, IMP::Float a1)
1877 add_attribute(Scale self, IntKey a0, IMP::Int a1)
1878 add_attribute(Scale self, FloatsKey a0, IMP::Floats a1)
1879 add_attribute(Scale self, IntsKey a0, IMP::Ints a1)
1880 add_attribute(Scale self, StringKey a0, IMP::String a1)
1881 add_attribute(Scale self, ParticleIndexKey a0, Particle a1)
1882 add_attribute(Scale self, ObjectKey a0, Object a1)
1883 add_attribute(Scale self, SparseFloatKey a0, IMP::Float a1)
1884 add_attribute(Scale self, SparseIntKey a0, IMP::Int a1)
1885 add_attribute(Scale self, SparseStringKey a0, IMP::String a1)
1886 add_attribute(Scale self, SparseParticleIndexKey a0, ParticleIndex a1)
1888 return _IMP_isd.Scale_add_attribute(self, *args)
1890 def get_value(self, *args):
1892 get_value(Scale self, FloatKey a0) -> IMP::Float
1893 get_value(Scale self, IntKey a0) -> IMP::Int
1894 get_value(Scale self, FloatsKey a0) -> IMP::Floats
1895 get_value(Scale self, IntsKey a0) -> IMP::Ints
1896 get_value(Scale self, StringKey a0) -> IMP::String
1897 get_value(Scale self, ParticleIndexKey a0) -> Particle
1898 get_value(Scale self, ObjectKey a0) -> Object
1899 get_value(Scale self, SparseFloatKey a0) -> IMP::Float
1900 get_value(Scale self, SparseIntKey a0) -> IMP::Int
1901 get_value(Scale self, SparseStringKey a0) -> IMP::String
1902 get_value(Scale self, SparseParticleIndexKey a0) -> ParticleIndex
1904 return _IMP_isd.Scale_get_value(self, *args)
1906 def set_value(self, *args):
1908 set_value(Scale self, FloatKey a0, IMP::Float a1)
1909 set_value(Scale self, IntKey a0, IMP::Int a1)
1910 set_value(Scale self, FloatsKey a0, IMP::Floats a1)
1911 set_value(Scale self, IntsKey a0, IMP::Ints a1)
1912 set_value(Scale self, StringKey a0, IMP::String a1)
1913 set_value(Scale self, ParticleIndexKey a0, Particle a1)
1914 set_value(Scale self, ObjectKey a0, Object a1)
1915 set_value(Scale self, SparseFloatKey a0, IMP::Float a1)
1916 set_value(Scale self, SparseIntKey a0, IMP::Int a1)
1917 set_value(Scale self, SparseStringKey a0, IMP::String a1)
1918 set_value(Scale self, SparseParticleIndexKey a0, ParticleIndex a1)
1920 return _IMP_isd.Scale_set_value(self, *args)
1922 def remove_attribute(self, *args):
1924 remove_attribute(Scale self, FloatKey a0)
1925 remove_attribute(Scale self, IntKey a0)
1926 remove_attribute(Scale self, FloatsKey a0)
1927 remove_attribute(Scale self, IntsKey a0)
1928 remove_attribute(Scale self, StringKey a0)
1929 remove_attribute(Scale self, ParticleIndexKey a0)
1930 remove_attribute(Scale self, ObjectKey a0)
1931 remove_attribute(Scale self, SparseFloatKey a0)
1932 remove_attribute(Scale self, SparseIntKey a0)
1933 remove_attribute(Scale self, SparseStringKey a0)
1934 remove_attribute(Scale self, SparseParticleIndexKey a0)
1936 return _IMP_isd.Scale_remove_attribute(self, *args)
1938 def has_attribute(self, *args):
1940 has_attribute(Scale self, FloatKey a0) -> bool
1941 has_attribute(Scale self, IntKey a0) -> bool
1942 has_attribute(Scale self, FloatsKey a0) -> bool
1943 has_attribute(Scale self, IntsKey a0) -> bool
1944 has_attribute(Scale self, StringKey a0) -> bool
1945 has_attribute(Scale self, ParticleIndexKey a0) -> bool
1946 has_attribute(Scale self, ObjectKey a0) -> bool
1947 has_attribute(Scale self, SparseFloatKey a0) -> bool
1948 has_attribute(Scale self, SparseIntKey a0) -> bool
1949 has_attribute(Scale self, SparseStringKey a0) -> bool
1950 has_attribute(Scale self, SparseParticleIndexKey a0) -> bool
1952 return _IMP_isd.Scale_has_attribute(self, *args)
1954 def get_derivative(self, a0):
1955 r"""get_derivative(Scale self, FloatKey a0) -> double"""
1956 return _IMP_isd.Scale_get_derivative(self, a0)
1959 r"""get_name(Scale self) -> std::string"""
1960 return _IMP_isd.Scale_get_name(self)
1963 r"""clear_caches(Scale self)"""
1964 return _IMP_isd.Scale_clear_caches(self)
1966 def set_name(self, a0):
1967 r"""set_name(Scale self, std::string a0)"""
1968 return _IMP_isd.Scale_set_name(self, a0)
1971 r"""set_check_level(Scale self, IMP::CheckLevel a0)"""
1972 return _IMP_isd.Scale_set_check_level(self, a0)
1974 def add_to_derivative(self, a0, a1, a2):
1975 r"""add_to_derivative(Scale self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1976 return _IMP_isd.Scale_add_to_derivative(self, a0, a1, a2)
1978 def set_is_optimized(self, a0, a1):
1979 r"""set_is_optimized(Scale self, FloatKey a0, bool a1)"""
1980 return _IMP_isd.Scale_set_is_optimized(self, a0, a1)
1982 def get_is_optimized(self, a0):
1983 r"""get_is_optimized(Scale self, FloatKey a0) -> bool"""
1984 return _IMP_isd.Scale_get_is_optimized(self, a0)
1986 def get_check_level(self):
1987 r"""get_check_level(Scale self) -> IMP::CheckLevel"""
1988 return _IMP_isd.Scale_get_check_level(self)
1990 def __eq__(self, *args):
1992 __eq__(Scale self, Scale o) -> bool
1993 __eq__(Scale self, Particle d) -> bool
1995 return _IMP_isd.Scale___eq__(self, *args)
1997 def __ne__(self, *args):
1999 __ne__(Scale self, Scale o) -> bool
2000 __ne__(Scale self, Particle d) -> bool
2002 return _IMP_isd.Scale___ne__(self, *args)
2004 def __le__(self, *args):
2006 __le__(Scale self, Scale o) -> bool
2007 __le__(Scale self, Particle d) -> bool
2009 return _IMP_isd.Scale___le__(self, *args)
2011 def __lt__(self, *args):
2013 __lt__(Scale self, Scale o) -> bool
2014 __lt__(Scale self, Particle d) -> bool
2016 return _IMP_isd.Scale___lt__(self, *args)
2018 def __ge__(self, *args):
2020 __ge__(Scale self, Scale o) -> bool
2021 __ge__(Scale self, Particle d) -> bool
2023 return _IMP_isd.Scale___ge__(self, *args)
2025 def __gt__(self, *args):
2027 __gt__(Scale self, Scale o) -> bool
2028 __gt__(Scale self, Particle d) -> bool
2030 return _IMP_isd.Scale___gt__(self, *args)
2033 r"""__hash__(Scale self) -> std::size_t"""
2034 return _IMP_isd.Scale___hash__(self)
2037 r"""__str__(Scale self) -> std::string"""
2038 return _IMP_isd.Scale___str__(self)
2041 r"""__repr__(Scale self) -> std::string"""
2042 return _IMP_isd.Scale___repr__(self)
2044 def _get_as_binary(self):
2045 r"""_get_as_binary(Scale self) -> PyObject *"""
2046 return _IMP_isd.Scale__get_as_binary(self)
2048 def _set_from_binary(self, p):
2049 r"""_set_from_binary(Scale self, PyObject * p)"""
2050 return _IMP_isd.Scale__set_from_binary(self, p)
2052 def __getstate__(self):
2053 p = self._get_as_binary()
2054 if len(self.__dict__) > 1:
2055 d = self.__dict__.copy()
2060 def __setstate__(self, p):
2061 if not hasattr(self,
'this'):
2063 if isinstance(p, tuple):
2065 self.__dict__.update(d)
2066 return self._set_from_binary(p)
2068 __swig_destroy__ = _IMP_isd.delete_Scale
2071 _IMP_isd.Scale_swigregister(Scale)
2072 class Switching(Nuisance):
2073 r"""Proxy of C++ IMP::isd::Switching class."""
2075 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2077 def __init__(self, *args):
2079 __init__(Switching self) -> Switching
2080 __init__(Switching self, Model m, ParticleIndex id) -> Switching
2081 __init__(Switching self, _ParticleAdaptor d) -> Switching
2083 _IMP_isd.Switching_swiginit(self, _IMP_isd.new_Switching(*args))
2085 def show(self, *args):
2086 r"""show(Switching self, _ostream out=std::cout)"""
2087 return _IMP_isd.Switching_show(self, *args)
2090 def setup_particle(*args):
2092 setup_particle(Model m, ParticleIndex pi) -> Switching
2093 setup_particle(_ParticleAdaptor pa) -> Switching
2094 setup_particle(Model m, ParticleIndex pi, double switching) -> Switching
2095 setup_particle(_ParticleAdaptor pa, double switching) -> Switching
2097 return _IMP_isd.Switching_setup_particle(*args)
2100 def get_is_setup(*args):
2102 get_is_setup(_ParticleAdaptor p) -> bool
2103 get_is_setup(Model m, ParticleIndex pi) -> bool
2105 return _IMP_isd.Switching_get_is_setup(*args)
2107 def get_switching(self):
2108 r"""get_switching(Switching self) -> IMP::Float"""
2109 return _IMP_isd.Switching_get_switching(self)
2111 def set_switching(self, d):
2112 r"""set_switching(Switching self, IMP::Float d)"""
2113 return _IMP_isd.Switching_set_switching(self, d)
2115 def add_to_switching_derivative(self, d, accum):
2116 r"""add_to_switching_derivative(Switching self, IMP::Float d, DerivativeAccumulator accum)"""
2117 return _IMP_isd.Switching_add_to_switching_derivative(self, d, accum)
2119 def get_switching_derivative(self):
2120 r"""get_switching_derivative(Switching self) -> IMP::Float"""
2121 return _IMP_isd.Switching_get_switching_derivative(self)
2124 def get_switching_key():
2125 r"""get_switching_key() -> FloatKey"""
2126 return _IMP_isd.Switching_get_switching_key()
2128 def get_switching_is_optimized(self):
2129 r"""get_switching_is_optimized(Switching self) -> bool"""
2130 return _IMP_isd.Switching_get_switching_is_optimized(self)
2132 def set_switching_is_optimized(self, val):
2133 r"""set_switching_is_optimized(Switching self, bool val)"""
2134 return _IMP_isd.Switching_set_switching_is_optimized(self, val)
2136 def add_attribute(self, *args):
2138 add_attribute(Switching self, FloatKey k, IMP::Float v, bool opt)
2139 add_attribute(Switching self, FloatKey a0, IMP::Float a1)
2140 add_attribute(Switching self, IntKey a0, IMP::Int a1)
2141 add_attribute(Switching self, FloatsKey a0, IMP::Floats a1)
2142 add_attribute(Switching self, IntsKey a0, IMP::Ints a1)
2143 add_attribute(Switching self, StringKey a0, IMP::String a1)
2144 add_attribute(Switching self, ParticleIndexKey a0, Particle a1)
2145 add_attribute(Switching self, ObjectKey a0, Object a1)
2146 add_attribute(Switching self, SparseFloatKey a0, IMP::Float a1)
2147 add_attribute(Switching self, SparseIntKey a0, IMP::Int a1)
2148 add_attribute(Switching self, SparseStringKey a0, IMP::String a1)
2149 add_attribute(Switching self, SparseParticleIndexKey a0, ParticleIndex a1)
2151 return _IMP_isd.Switching_add_attribute(self, *args)
2153 def get_value(self, *args):
2155 get_value(Switching self, FloatKey a0) -> IMP::Float
2156 get_value(Switching self, IntKey a0) -> IMP::Int
2157 get_value(Switching self, FloatsKey a0) -> IMP::Floats
2158 get_value(Switching self, IntsKey a0) -> IMP::Ints
2159 get_value(Switching self, StringKey a0) -> IMP::String
2160 get_value(Switching self, ParticleIndexKey a0) -> Particle
2161 get_value(Switching self, ObjectKey a0) -> Object
2162 get_value(Switching self, SparseFloatKey a0) -> IMP::Float
2163 get_value(Switching self, SparseIntKey a0) -> IMP::Int
2164 get_value(Switching self, SparseStringKey a0) -> IMP::String
2165 get_value(Switching self, SparseParticleIndexKey a0) -> ParticleIndex
2167 return _IMP_isd.Switching_get_value(self, *args)
2169 def set_value(self, *args):
2171 set_value(Switching self, FloatKey a0, IMP::Float a1)
2172 set_value(Switching self, IntKey a0, IMP::Int a1)
2173 set_value(Switching self, FloatsKey a0, IMP::Floats a1)
2174 set_value(Switching self, IntsKey a0, IMP::Ints a1)
2175 set_value(Switching self, StringKey a0, IMP::String a1)
2176 set_value(Switching self, ParticleIndexKey a0, Particle a1)
2177 set_value(Switching self, ObjectKey a0, Object a1)
2178 set_value(Switching self, SparseFloatKey a0, IMP::Float a1)
2179 set_value(Switching self, SparseIntKey a0, IMP::Int a1)
2180 set_value(Switching self, SparseStringKey a0, IMP::String a1)
2181 set_value(Switching self, SparseParticleIndexKey a0, ParticleIndex a1)
2183 return _IMP_isd.Switching_set_value(self, *args)
2185 def remove_attribute(self, *args):
2187 remove_attribute(Switching self, FloatKey a0)
2188 remove_attribute(Switching self, IntKey a0)
2189 remove_attribute(Switching self, FloatsKey a0)
2190 remove_attribute(Switching self, IntsKey a0)
2191 remove_attribute(Switching self, StringKey a0)
2192 remove_attribute(Switching self, ParticleIndexKey a0)
2193 remove_attribute(Switching self, ObjectKey a0)
2194 remove_attribute(Switching self, SparseFloatKey a0)
2195 remove_attribute(Switching self, SparseIntKey a0)
2196 remove_attribute(Switching self, SparseStringKey a0)
2197 remove_attribute(Switching self, SparseParticleIndexKey a0)
2199 return _IMP_isd.Switching_remove_attribute(self, *args)
2201 def has_attribute(self, *args):
2203 has_attribute(Switching self, FloatKey a0) -> bool
2204 has_attribute(Switching self, IntKey a0) -> bool
2205 has_attribute(Switching self, FloatsKey a0) -> bool
2206 has_attribute(Switching self, IntsKey a0) -> bool
2207 has_attribute(Switching self, StringKey a0) -> bool
2208 has_attribute(Switching self, ParticleIndexKey a0) -> bool
2209 has_attribute(Switching self, ObjectKey a0) -> bool
2210 has_attribute(Switching self, SparseFloatKey a0) -> bool
2211 has_attribute(Switching self, SparseIntKey a0) -> bool
2212 has_attribute(Switching self, SparseStringKey a0) -> bool
2213 has_attribute(Switching self, SparseParticleIndexKey a0) -> bool
2215 return _IMP_isd.Switching_has_attribute(self, *args)
2217 def get_derivative(self, a0):
2218 r"""get_derivative(Switching self, FloatKey a0) -> double"""
2219 return _IMP_isd.Switching_get_derivative(self, a0)
2222 r"""get_name(Switching self) -> std::string"""
2223 return _IMP_isd.Switching_get_name(self)
2226 r"""clear_caches(Switching self)"""
2227 return _IMP_isd.Switching_clear_caches(self)
2229 def set_name(self, a0):
2230 r"""set_name(Switching self, std::string a0)"""
2231 return _IMP_isd.Switching_set_name(self, a0)
2234 r"""set_check_level(Switching self, IMP::CheckLevel a0)"""
2235 return _IMP_isd.Switching_set_check_level(self, a0)
2237 def add_to_derivative(self, a0, a1, a2):
2238 r"""add_to_derivative(Switching self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2239 return _IMP_isd.Switching_add_to_derivative(self, a0, a1, a2)
2241 def set_is_optimized(self, a0, a1):
2242 r"""set_is_optimized(Switching self, FloatKey a0, bool a1)"""
2243 return _IMP_isd.Switching_set_is_optimized(self, a0, a1)
2245 def get_is_optimized(self, a0):
2246 r"""get_is_optimized(Switching self, FloatKey a0) -> bool"""
2247 return _IMP_isd.Switching_get_is_optimized(self, a0)
2249 def get_check_level(self):
2250 r"""get_check_level(Switching self) -> IMP::CheckLevel"""
2251 return _IMP_isd.Switching_get_check_level(self)
2253 def __eq__(self, *args):
2255 __eq__(Switching self, Switching o) -> bool
2256 __eq__(Switching self, Particle d) -> bool
2258 return _IMP_isd.Switching___eq__(self, *args)
2260 def __ne__(self, *args):
2262 __ne__(Switching self, Switching o) -> bool
2263 __ne__(Switching self, Particle d) -> bool
2265 return _IMP_isd.Switching___ne__(self, *args)
2267 def __le__(self, *args):
2269 __le__(Switching self, Switching o) -> bool
2270 __le__(Switching self, Particle d) -> bool
2272 return _IMP_isd.Switching___le__(self, *args)
2274 def __lt__(self, *args):
2276 __lt__(Switching self, Switching o) -> bool
2277 __lt__(Switching self, Particle d) -> bool
2279 return _IMP_isd.Switching___lt__(self, *args)
2281 def __ge__(self, *args):
2283 __ge__(Switching self, Switching o) -> bool
2284 __ge__(Switching self, Particle d) -> bool
2286 return _IMP_isd.Switching___ge__(self, *args)
2288 def __gt__(self, *args):
2290 __gt__(Switching self, Switching o) -> bool
2291 __gt__(Switching self, Particle d) -> bool
2293 return _IMP_isd.Switching___gt__(self, *args)
2296 r"""__hash__(Switching self) -> std::size_t"""
2297 return _IMP_isd.Switching___hash__(self)
2300 r"""__str__(Switching self) -> std::string"""
2301 return _IMP_isd.Switching___str__(self)
2304 r"""__repr__(Switching self) -> std::string"""
2305 return _IMP_isd.Switching___repr__(self)
2307 def _get_as_binary(self):
2308 r"""_get_as_binary(Switching self) -> PyObject *"""
2309 return _IMP_isd.Switching__get_as_binary(self)
2311 def _set_from_binary(self, p):
2312 r"""_set_from_binary(Switching self, PyObject * p)"""
2313 return _IMP_isd.Switching__set_from_binary(self, p)
2315 def __getstate__(self):
2316 p = self._get_as_binary()
2317 if len(self.__dict__) > 1:
2318 d = self.__dict__.copy()
2323 def __setstate__(self, p):
2324 if not hasattr(self,
'this'):
2326 if isinstance(p, tuple):
2328 self.__dict__.update(d)
2329 return self._set_from_binary(p)
2331 __swig_destroy__ = _IMP_isd.delete_Switching
2334 _IMP_isd.Switching_swigregister(Switching)
2336 r"""Proxy of C++ IMP::isd::Weight class."""
2338 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2340 def __init__(self, *args):
2342 __init__(Weight self) -> Weight
2343 __init__(Weight self, Model m, ParticleIndex id) -> Weight
2344 __init__(Weight self, _ParticleAdaptor d) -> Weight
2346 _IMP_isd.Weight_swiginit(self, _IMP_isd.new_Weight(*args))
2348 def show(self, *args):
2349 r"""show(Weight self, _ostream out=std::cout)"""
2350 return _IMP_isd.Weight_show(self, *args)
2353 def setup_particle(*args):
2355 setup_particle(Model m, ParticleIndex pi) -> Weight
2356 setup_particle(_ParticleAdaptor pa) -> Weight
2357 setup_particle(Model m, ParticleIndex pi, IMP::Int nweights) -> Weight
2358 setup_particle(_ParticleAdaptor pa, IMP::Int nweights) -> Weight
2359 setup_particle(Model m, ParticleIndex pi, VectorKD w) -> Weight
2360 setup_particle(_ParticleAdaptor pa, VectorKD w) -> Weight
2362 return _IMP_isd.Weight_setup_particle(*args)
2365 def get_number_of_weights_key():
2366 r"""get_number_of_weights_key() -> IntKey"""
2367 return _IMP_isd.Weight_get_number_of_weights_key()
2370 def get_weight_key(i):
2371 r"""get_weight_key(int i) -> FloatKey"""
2372 return _IMP_isd.Weight_get_weight_key(i)
2374 def get_weight_keys(self):
2375 r"""get_weight_keys(Weight self) -> IMP::FloatKeys"""
2376 return _IMP_isd.Weight_get_weight_keys(self)
2378 def get_weight(self, i):
2379 r"""get_weight(Weight self, int i) -> IMP::Float"""
2380 return _IMP_isd.Weight_get_weight(self, i)
2382 def get_weights(self):
2383 r"""get_weights(Weight self) -> VectorKD"""
2384 return _IMP_isd.Weight_get_weights(self)
2386 def set_weight_lazy(self, i, wi):
2387 r"""set_weight_lazy(Weight self, int i, IMP::Float wi)"""
2388 return _IMP_isd.Weight_set_weight_lazy(self, i, wi)
2390 def set_weights_lazy(self, w):
2391 r"""set_weights_lazy(Weight self, VectorKD w)"""
2392 return _IMP_isd.Weight_set_weights_lazy(self, w)
2394 def set_weights(self, w):
2395 r"""set_weights(Weight self, VectorKD w)"""
2396 return _IMP_isd.Weight_set_weights(self, w)
2398 def get_weights_are_optimized(self):
2399 r"""get_weights_are_optimized(Weight self) -> bool"""
2400 return _IMP_isd.Weight_get_weights_are_optimized(self)
2402 def set_weights_are_optimized(self, tf):
2403 r"""set_weights_are_optimized(Weight self, bool tf)"""
2404 return _IMP_isd.Weight_set_weights_are_optimized(self, tf)
2406 def get_weight_derivative(self, i):
2407 r"""get_weight_derivative(Weight self, int i) -> IMP::Float"""
2408 return _IMP_isd.Weight_get_weight_derivative(self, i)
2410 def get_weights_derivatives(self):
2411 r"""get_weights_derivatives(Weight self) -> VectorKD"""
2412 return _IMP_isd.Weight_get_weights_derivatives(self)
2414 def add_to_weight_derivative(self, i, dwi, da):
2415 r"""add_to_weight_derivative(Weight self, int i, IMP::Float dwi, DerivativeAccumulator da)"""
2416 return _IMP_isd.Weight_add_to_weight_derivative(self, i, dwi, da)
2418 def add_to_weights_derivatives(self, dw, da):
2419 r"""add_to_weights_derivatives(Weight self, VectorKD dw, DerivativeAccumulator da)"""
2420 return _IMP_isd.Weight_add_to_weights_derivatives(self, dw, da)
2422 def add_weight_lazy(self, wi=0):
2423 r"""add_weight_lazy(Weight self, IMP::Float wi=0)"""
2424 return _IMP_isd.Weight_add_weight_lazy(self, wi)
2426 def add_weight(self, wi=0):
2427 r"""add_weight(Weight self, IMP::Float wi=0)"""
2428 return _IMP_isd.Weight_add_weight(self, wi)
2430 def get_number_of_weights(self):
2431 r"""get_number_of_weights(Weight self) -> IMP::Int"""
2432 return _IMP_isd.Weight_get_number_of_weights(self)
2434 def get_unit_simplex(self):
2435 r"""get_unit_simplex(Weight self) -> UnitSimplexKD"""
2436 return _IMP_isd.Weight_get_unit_simplex(self)
2438 def set_number_of_weights_lazy(self, nweights):
2439 r"""set_number_of_weights_lazy(Weight self, IMP::Int nweights)"""
2440 return _IMP_isd.Weight_set_number_of_weights_lazy(self, nweights)
2442 def set_number_of_weights(self, nweights):
2443 r"""set_number_of_weights(Weight self, IMP::Int nweights)"""
2444 return _IMP_isd.Weight_set_number_of_weights(self, nweights)
2447 def get_is_setup(*args):
2449 get_is_setup(_ParticleAdaptor p) -> bool
2450 get_is_setup(Model m, ParticleIndex pi) -> bool
2452 return _IMP_isd.Weight_get_is_setup(*args)
2454 def add_attribute(self, *args):
2456 add_attribute(Weight self, FloatKey k, IMP::Float v, bool opt)
2457 add_attribute(Weight self, FloatKey a0, IMP::Float a1)
2458 add_attribute(Weight self, IntKey a0, IMP::Int a1)
2459 add_attribute(Weight self, FloatsKey a0, IMP::Floats a1)
2460 add_attribute(Weight self, IntsKey a0, IMP::Ints a1)
2461 add_attribute(Weight self, StringKey a0, IMP::String a1)
2462 add_attribute(Weight self, ParticleIndexKey a0, Particle a1)
2463 add_attribute(Weight self, ObjectKey a0, Object a1)
2464 add_attribute(Weight self, SparseFloatKey a0, IMP::Float a1)
2465 add_attribute(Weight self, SparseIntKey a0, IMP::Int a1)
2466 add_attribute(Weight self, SparseStringKey a0, IMP::String a1)
2467 add_attribute(Weight self, SparseParticleIndexKey a0, ParticleIndex a1)
2469 return _IMP_isd.Weight_add_attribute(self, *args)
2471 def get_value(self, *args):
2473 get_value(Weight self, FloatKey a0) -> IMP::Float
2474 get_value(Weight self, IntKey a0) -> IMP::Int
2475 get_value(Weight self, FloatsKey a0) -> IMP::Floats
2476 get_value(Weight self, IntsKey a0) -> IMP::Ints
2477 get_value(Weight self, StringKey a0) -> IMP::String
2478 get_value(Weight self, ParticleIndexKey a0) -> Particle
2479 get_value(Weight self, ObjectKey a0) -> Object
2480 get_value(Weight self, SparseFloatKey a0) -> IMP::Float
2481 get_value(Weight self, SparseIntKey a0) -> IMP::Int
2482 get_value(Weight self, SparseStringKey a0) -> IMP::String
2483 get_value(Weight self, SparseParticleIndexKey a0) -> ParticleIndex
2485 return _IMP_isd.Weight_get_value(self, *args)
2487 def set_value(self, *args):
2489 set_value(Weight self, FloatKey a0, IMP::Float a1)
2490 set_value(Weight self, IntKey a0, IMP::Int a1)
2491 set_value(Weight self, FloatsKey a0, IMP::Floats a1)
2492 set_value(Weight self, IntsKey a0, IMP::Ints a1)
2493 set_value(Weight self, StringKey a0, IMP::String a1)
2494 set_value(Weight self, ParticleIndexKey a0, Particle a1)
2495 set_value(Weight self, ObjectKey a0, Object a1)
2496 set_value(Weight self, SparseFloatKey a0, IMP::Float a1)
2497 set_value(Weight self, SparseIntKey a0, IMP::Int a1)
2498 set_value(Weight self, SparseStringKey a0, IMP::String a1)
2499 set_value(Weight self, SparseParticleIndexKey a0, ParticleIndex a1)
2501 return _IMP_isd.Weight_set_value(self, *args)
2503 def remove_attribute(self, *args):
2505 remove_attribute(Weight self, FloatKey a0)
2506 remove_attribute(Weight self, IntKey a0)
2507 remove_attribute(Weight self, FloatsKey a0)
2508 remove_attribute(Weight self, IntsKey a0)
2509 remove_attribute(Weight self, StringKey a0)
2510 remove_attribute(Weight self, ParticleIndexKey a0)
2511 remove_attribute(Weight self, ObjectKey a0)
2512 remove_attribute(Weight self, SparseFloatKey a0)
2513 remove_attribute(Weight self, SparseIntKey a0)
2514 remove_attribute(Weight self, SparseStringKey a0)
2515 remove_attribute(Weight self, SparseParticleIndexKey a0)
2517 return _IMP_isd.Weight_remove_attribute(self, *args)
2519 def has_attribute(self, *args):
2521 has_attribute(Weight self, FloatKey a0) -> bool
2522 has_attribute(Weight self, IntKey a0) -> bool
2523 has_attribute(Weight self, FloatsKey a0) -> bool
2524 has_attribute(Weight self, IntsKey a0) -> bool
2525 has_attribute(Weight self, StringKey a0) -> bool
2526 has_attribute(Weight self, ParticleIndexKey a0) -> bool
2527 has_attribute(Weight self, ObjectKey a0) -> bool
2528 has_attribute(Weight self, SparseFloatKey a0) -> bool
2529 has_attribute(Weight self, SparseIntKey a0) -> bool
2530 has_attribute(Weight self, SparseStringKey a0) -> bool
2531 has_attribute(Weight self, SparseParticleIndexKey a0) -> bool
2533 return _IMP_isd.Weight_has_attribute(self, *args)
2535 def get_derivative(self, a0):
2536 r"""get_derivative(Weight self, FloatKey a0) -> double"""
2537 return _IMP_isd.Weight_get_derivative(self, a0)
2540 r"""get_name(Weight self) -> std::string"""
2541 return _IMP_isd.Weight_get_name(self)
2544 r"""clear_caches(Weight self)"""
2545 return _IMP_isd.Weight_clear_caches(self)
2547 def set_name(self, a0):
2548 r"""set_name(Weight self, std::string a0)"""
2549 return _IMP_isd.Weight_set_name(self, a0)
2552 r"""set_check_level(Weight self, IMP::CheckLevel a0)"""
2553 return _IMP_isd.Weight_set_check_level(self, a0)
2555 def add_to_derivative(self, a0, a1, a2):
2556 r"""add_to_derivative(Weight self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2557 return _IMP_isd.Weight_add_to_derivative(self, a0, a1, a2)
2559 def set_is_optimized(self, a0, a1):
2560 r"""set_is_optimized(Weight self, FloatKey a0, bool a1)"""
2561 return _IMP_isd.Weight_set_is_optimized(self, a0, a1)
2563 def get_is_optimized(self, a0):
2564 r"""get_is_optimized(Weight self, FloatKey a0) -> bool"""
2565 return _IMP_isd.Weight_get_is_optimized(self, a0)
2567 def get_check_level(self):
2568 r"""get_check_level(Weight self) -> IMP::CheckLevel"""
2569 return _IMP_isd.Weight_get_check_level(self)
2571 def __eq__(self, *args):
2573 __eq__(Weight self, Weight o) -> bool
2574 __eq__(Weight self, Particle d) -> bool
2576 return _IMP_isd.Weight___eq__(self, *args)
2578 def __ne__(self, *args):
2580 __ne__(Weight self, Weight o) -> bool
2581 __ne__(Weight self, Particle d) -> bool
2583 return _IMP_isd.Weight___ne__(self, *args)
2585 def __le__(self, *args):
2587 __le__(Weight self, Weight o) -> bool
2588 __le__(Weight self, Particle d) -> bool
2590 return _IMP_isd.Weight___le__(self, *args)
2592 def __lt__(self, *args):
2594 __lt__(Weight self, Weight o) -> bool
2595 __lt__(Weight self, Particle d) -> bool
2597 return _IMP_isd.Weight___lt__(self, *args)
2599 def __ge__(self, *args):
2601 __ge__(Weight self, Weight o) -> bool
2602 __ge__(Weight self, Particle d) -> bool
2604 return _IMP_isd.Weight___ge__(self, *args)
2606 def __gt__(self, *args):
2608 __gt__(Weight self, Weight o) -> bool
2609 __gt__(Weight self, Particle d) -> bool
2611 return _IMP_isd.Weight___gt__(self, *args)
2614 r"""__hash__(Weight self) -> std::size_t"""
2615 return _IMP_isd.Weight___hash__(self)
2618 r"""__str__(Weight self) -> std::string"""
2619 return _IMP_isd.Weight___str__(self)
2622 r"""__repr__(Weight self) -> std::string"""
2623 return _IMP_isd.Weight___repr__(self)
2625 def _get_as_binary(self):
2626 r"""_get_as_binary(Weight self) -> PyObject *"""
2627 return _IMP_isd.Weight__get_as_binary(self)
2629 def _set_from_binary(self, p):
2630 r"""_set_from_binary(Weight self, PyObject * p)"""
2631 return _IMP_isd.Weight__set_from_binary(self, p)
2633 def __getstate__(self):
2634 p = self._get_as_binary()
2635 if len(self.__dict__) > 1:
2636 d = self.__dict__.copy()
2641 def __setstate__(self, p):
2642 if not hasattr(self,
'this'):
2644 if isinstance(p, tuple):
2646 self.__dict__.update(d)
2647 return self._set_from_binary(p)
2649 __swig_destroy__ = _IMP_isd.delete_Weight
2652 _IMP_isd.Weight_swigregister(Weight)
2653 cvar = _IMP_isd.cvar
2654 IMPISD_MAX_WEIGHTS = cvar.IMPISD_MAX_WEIGHTS
2657 def __lshift__(*args):
2659 __lshift__(_ostream out, Nuisance n) -> _ostream
2660 __lshift__(_ostream out, Scale n) -> _ostream
2661 __lshift__(_ostream out, Switching n) -> _ostream
2662 __lshift__(_ostream out, Weight n) -> _ostream
2664 return _IMP_isd.__lshift__(*args)
2666 r"""Proxy of C++ IMP::isd::JeffreysRestraint class."""
2668 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2670 def __init__(self, *args):
2672 __init__(JeffreysRestraint self, Model m, Particle p) -> JeffreysRestraint
2673 __init__(JeffreysRestraint self) -> JeffreysRestraint
2675 _IMP_isd.JeffreysRestraint_swiginit(self, _IMP_isd.new_JeffreysRestraint(*args))
2678 r"""do_get_inputs(JeffreysRestraint self) -> IMP::ModelObjectsTemp"""
2679 return _IMP_isd.JeffreysRestraint_do_get_inputs(self)
2682 r"""get_version_info(JeffreysRestraint self) -> VersionInfo"""
2683 return _IMP_isd.JeffreysRestraint_get_version_info(self)
2684 __swig_destroy__ = _IMP_isd.delete_JeffreysRestraint
2687 r"""get_index(JeffreysRestraint self) -> ParticleIndex"""
2688 return _IMP_isd.JeffreysRestraint_get_index(self)
2690 def get_probability(self):
2691 r"""get_probability(JeffreysRestraint self) -> double"""
2692 return _IMP_isd.JeffreysRestraint_get_probability(self)
2695 r"""__str__(JeffreysRestraint self) -> std::string"""
2696 return _IMP_isd.JeffreysRestraint___str__(self)
2699 r"""__repr__(JeffreysRestraint self) -> std::string"""
2700 return _IMP_isd.JeffreysRestraint___repr__(self)
2704 return _object_cast_to_JeffreysRestraint(o)
2707 def _get_as_binary(self):
2708 r"""_get_as_binary(JeffreysRestraint self) -> PyObject *"""
2709 return _IMP_isd.JeffreysRestraint__get_as_binary(self)
2711 def _set_from_binary(self, p):
2712 r"""_set_from_binary(JeffreysRestraint self, PyObject * p)"""
2713 return _IMP_isd.JeffreysRestraint__set_from_binary(self, p)
2715 def __getstate__(self):
2716 p = self._get_as_binary()
2717 if len(self.__dict__) > 1:
2718 d = self.__dict__.copy()
2723 def __setstate__(self, p):
2724 if not hasattr(self,
'this'):
2726 if isinstance(p, tuple):
2728 self.__dict__.update(d)
2729 return self._set_from_binary(p)
2732 def _get_jax(self, space):
2733 import jax.numpy
as jnp
2734 indexes = jnp.array([self.get_index()])
2736 nuisance = jm[
'nuisance'][indexes]
2737 return jnp.sum(jnp.log(nuisance))
2738 return self._wrap_jax(score, keys=[Scale.get_scale_key()])
2742 _IMP_isd.JeffreysRestraint_swigregister(JeffreysRestraint)
2744 r"""Proxy of C++ IMP::isd::NormalSigmaPCRestraint class."""
2746 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2748 def __init__(self, *args):
2750 __init__(NormalSigmaPCRestraint self, Model m, ParticleIndex spi, double su, double alpha, std::string name="NormalSigmaPCRestraint%1%") -> NormalSigmaPCRestraint
2751 __init__(NormalSigmaPCRestraint self, Scale s, double su, double alpha, std::string name="NormalSigmaPCRestraint%1%") -> NormalSigmaPCRestraint
2753 _IMP_isd.NormalSigmaPCRestraint_swiginit(self, _IMP_isd.new_NormalSigmaPCRestraint(*args))
2755 def get_sigma(self):
2756 r"""get_sigma(NormalSigmaPCRestraint self) -> Scale"""
2757 return _IMP_isd.NormalSigmaPCRestraint_get_sigma(self)
2759 def get_alpha(self):
2760 r"""get_alpha(NormalSigmaPCRestraint self) -> double"""
2761 return _IMP_isd.NormalSigmaPCRestraint_get_alpha(self)
2763 def get_sigma_upper(self):
2764 r"""get_sigma_upper(NormalSigmaPCRestraint self) -> double"""
2765 return _IMP_isd.NormalSigmaPCRestraint_get_sigma_upper(self)
2767 def get_probability(self):
2768 r"""get_probability(NormalSigmaPCRestraint self) -> double"""
2769 return _IMP_isd.NormalSigmaPCRestraint_get_probability(self)
2772 r"""do_get_inputs(NormalSigmaPCRestraint self) -> IMP::ModelObjectsTemp"""
2773 return _IMP_isd.NormalSigmaPCRestraint_do_get_inputs(self)
2776 r"""get_version_info(NormalSigmaPCRestraint self) -> VersionInfo"""
2777 return _IMP_isd.NormalSigmaPCRestraint_get_version_info(self)
2778 __swig_destroy__ = _IMP_isd.delete_NormalSigmaPCRestraint
2781 r"""__str__(NormalSigmaPCRestraint self) -> std::string"""
2782 return _IMP_isd.NormalSigmaPCRestraint___str__(self)
2785 r"""__repr__(NormalSigmaPCRestraint self) -> std::string"""
2786 return _IMP_isd.NormalSigmaPCRestraint___repr__(self)
2790 return _object_cast_to_NormalSigmaPCRestraint(o)
2794 _IMP_isd.NormalSigmaPCRestraint_swigregister(NormalSigmaPCRestraint)
2796 r"""Proxy of C++ IMP::isd::Distribution class."""
2798 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2800 def __init__(self, *args):
2801 r"""__init__(Distribution self, std::string name="Distribution %1%") -> Distribution"""
2802 if self.__class__ == Distribution:
2806 _IMP_isd.Distribution_swiginit(self, _IMP_isd.new_Distribution(_self, *args))
2808 if self.__class__ != Distribution:
2809 _director_objects.register(self)
2814 def get_type_name(self):
2815 r"""get_type_name(Distribution self) -> std::string"""
2816 return _IMP_isd.Distribution_get_type_name(self)
2819 r"""get_version_info(Distribution self) -> VersionInfo"""
2820 return _IMP_isd.Distribution_get_version_info(self)
2821 __swig_destroy__ = _IMP_isd.delete_Distribution
2824 r"""__str__(Distribution self) -> std::string"""
2825 return _IMP_isd.Distribution___str__(self)
2828 r"""__repr__(Distribution self) -> std::string"""
2829 return _IMP_isd.Distribution___repr__(self)
2833 return _object_cast_to_Distribution(o)
2836 def do_show(self, out):
2841 return _object_cast_to_Distribution(o)
2843 def __disown__(self):
2845 _IMP_isd.disown_Distribution(self)
2846 return weakref.proxy(self)
2849 r"""do_destroy(Distribution self)"""
2850 return _IMP_isd.Distribution_do_destroy(self)
2853 _IMP_isd.Distribution_swigregister(Distribution)
2854 class OneDimensionalDistribution(Distribution):
2855 r"""Proxy of C++ IMP::isd::OneDimensionalDistribution class."""
2857 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2859 def do_evaluate(self, *args):
2861 do_evaluate(OneDimensionalDistribution self, double v) -> double
2862 do_evaluate(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2864 return _IMP_isd.OneDimensionalDistribution_do_evaluate(self, *args)
2866 def do_get_density(self, *args):
2868 do_get_density(OneDimensionalDistribution self, double v) -> double
2869 do_get_density(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2871 return _IMP_isd.OneDimensionalDistribution_do_get_density(self, *args)
2873 def __init__(self, *args):
2874 r"""__init__(OneDimensionalDistribution self, std::string name="OneDimensionalDistribution %1%") -> OneDimensionalDistribution"""
2875 if self.__class__ == OneDimensionalDistribution:
2879 _IMP_isd.OneDimensionalDistribution_swiginit(self, _IMP_isd.new_OneDimensionalDistribution(_self, *args))
2881 if self.__class__ != OneDimensionalDistribution:
2882 _director_objects.register(self)
2887 def evaluate(self, *args):
2889 evaluate(OneDimensionalDistribution self, double v) -> double
2890 evaluate(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2892 return _IMP_isd.OneDimensionalDistribution_evaluate(self, *args)
2894 def get_density(self, *args):
2896 get_density(OneDimensionalDistribution self, double v) -> double
2897 get_density(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2899 return _IMP_isd.OneDimensionalDistribution_get_density(self, *args)
2901 def get_type_name(self):
2902 r"""get_type_name(OneDimensionalDistribution self) -> std::string"""
2903 return _IMP_isd.OneDimensionalDistribution_get_type_name(self)
2906 r"""get_version_info(OneDimensionalDistribution self) -> VersionInfo"""
2907 return _IMP_isd.OneDimensionalDistribution_get_version_info(self)
2908 __swig_destroy__ = _IMP_isd.delete_OneDimensionalDistribution
2911 r"""__str__(OneDimensionalDistribution self) -> std::string"""
2912 return _IMP_isd.OneDimensionalDistribution___str__(self)
2915 r"""__repr__(OneDimensionalDistribution self) -> std::string"""
2916 return _IMP_isd.OneDimensionalDistribution___repr__(self)
2920 return _object_cast_to_OneDimensionalDistribution(o)
2923 def do_show(self, out):
2928 return _object_cast_to_OneDimensionalDistribution(o)
2930 def __disown__(self):
2932 _IMP_isd.disown_OneDimensionalDistribution(self)
2933 return weakref.proxy(self)
2936 r"""do_destroy(OneDimensionalDistribution self)"""
2937 return _IMP_isd.OneDimensionalDistribution_do_destroy(self)
2940 _IMP_isd.OneDimensionalDistribution_swigregister(OneDimensionalDistribution)
2941 class OneDimensionalSufficientDistribution(Distribution):
2942 r"""Proxy of C++ IMP::isd::OneDimensionalSufficientDistribution class."""
2944 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2946 def do_update_sufficient_statistics(self, vs):
2947 r"""do_update_sufficient_statistics(OneDimensionalSufficientDistribution self, IMP::Floats vs)"""
2948 return _IMP_isd.OneDimensionalSufficientDistribution_do_update_sufficient_statistics(self, vs)
2950 def do_get_sufficient_statistics(self):
2951 r"""do_get_sufficient_statistics(OneDimensionalSufficientDistribution self) -> IMP::Floats"""
2952 return _IMP_isd.OneDimensionalSufficientDistribution_do_get_sufficient_statistics(self)
2954 def do_evaluate(self):
2955 r"""do_evaluate(OneDimensionalSufficientDistribution self) -> double"""
2956 return _IMP_isd.OneDimensionalSufficientDistribution_do_evaluate(self)
2958 def do_get_density(self):
2959 r"""do_get_density(OneDimensionalSufficientDistribution self) -> double"""
2960 return _IMP_isd.OneDimensionalSufficientDistribution_do_get_density(self)
2962 def __init__(self, *args):
2963 r"""__init__(OneDimensionalSufficientDistribution self, std::string name="OneDimensionalSufficientDistribution %1%") -> OneDimensionalSufficientDistribution"""
2964 if self.__class__ == OneDimensionalSufficientDistribution:
2968 _IMP_isd.OneDimensionalSufficientDistribution_swiginit(self, _IMP_isd.new_OneDimensionalSufficientDistribution(_self, *args))
2970 if self.__class__ != OneDimensionalSufficientDistribution:
2971 _director_objects.register(self)
2976 def update_sufficient_statistics(self, vs):
2977 r"""update_sufficient_statistics(OneDimensionalSufficientDistribution self, IMP::Floats vs)"""
2978 return _IMP_isd.OneDimensionalSufficientDistribution_update_sufficient_statistics(self, vs)
2980 def get_sufficient_statistics(self):
2981 r"""get_sufficient_statistics(OneDimensionalSufficientDistribution self) -> IMP::Floats"""
2982 return _IMP_isd.OneDimensionalSufficientDistribution_get_sufficient_statistics(self)
2985 r"""evaluate(OneDimensionalSufficientDistribution self) -> double"""
2986 return _IMP_isd.OneDimensionalSufficientDistribution_evaluate(self)
2988 def get_density(self):
2989 r"""get_density(OneDimensionalSufficientDistribution self) -> double"""
2990 return _IMP_isd.OneDimensionalSufficientDistribution_get_density(self)
2992 def get_type_name(self):
2993 r"""get_type_name(OneDimensionalSufficientDistribution self) -> std::string"""
2994 return _IMP_isd.OneDimensionalSufficientDistribution_get_type_name(self)
2997 r"""get_version_info(OneDimensionalSufficientDistribution self) -> VersionInfo"""
2998 return _IMP_isd.OneDimensionalSufficientDistribution_get_version_info(self)
2999 __swig_destroy__ = _IMP_isd.delete_OneDimensionalSufficientDistribution
3002 r"""__str__(OneDimensionalSufficientDistribution self) -> std::string"""
3003 return _IMP_isd.OneDimensionalSufficientDistribution___str__(self)
3006 r"""__repr__(OneDimensionalSufficientDistribution self) -> std::string"""
3007 return _IMP_isd.OneDimensionalSufficientDistribution___repr__(self)
3011 return _object_cast_to_OneDimensionalSufficientDistribution(o)
3014 def do_show(self, out):
3019 return _object_cast_to_OneDimensionalSufficientDistribution(o)
3021 def __disown__(self):
3023 _IMP_isd.disown_OneDimensionalSufficientDistribution(self)
3024 return weakref.proxy(self)
3027 r"""do_destroy(OneDimensionalSufficientDistribution self)"""
3028 return _IMP_isd.OneDimensionalSufficientDistribution_do_destroy(self)
3031 _IMP_isd.OneDimensionalSufficientDistribution_swigregister(OneDimensionalSufficientDistribution)
3032 class FNormal(OneDimensionalSufficientDistribution):
3033 r"""Proxy of C++ IMP::isd::FNormal class."""
3035 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3037 def __init__(self, FA, JA, FM, sigma):
3038 r"""__init__(FNormal self, double FA, double JA, double FM, double sigma) -> FNormal"""
3039 _IMP_isd.FNormal_swiginit(self, _IMP_isd.new_FNormal(FA, JA, FM, sigma))
3041 def update_sufficient_statistics(self, FA):
3042 r"""update_sufficient_statistics(FNormal self, double FA)"""
3043 return _IMP_isd.FNormal_update_sufficient_statistics(self, FA)
3045 def do_update_sufficient_statistics(self, data):
3046 r"""do_update_sufficient_statistics(FNormal self, IMP::Floats data)"""
3047 return _IMP_isd.FNormal_do_update_sufficient_statistics(self, data)
3049 def do_get_sufficient_statistics(self):
3050 r"""do_get_sufficient_statistics(FNormal self) -> IMP::Floats"""
3051 return _IMP_isd.FNormal_do_get_sufficient_statistics(self)
3053 def do_evaluate(self):
3054 r"""do_evaluate(FNormal self) -> double"""
3055 return _IMP_isd.FNormal_do_evaluate(self)
3057 def evaluate_derivative_FA(self):
3058 r"""evaluate_derivative_FA(FNormal self) -> double"""
3059 return _IMP_isd.FNormal_evaluate_derivative_FA(self)
3061 def evaluate_derivative_JA(self):
3062 r"""evaluate_derivative_JA(FNormal self) -> double"""
3063 return _IMP_isd.FNormal_evaluate_derivative_JA(self)
3065 def evaluate_derivative_FM(self):
3066 r"""evaluate_derivative_FM(FNormal self) -> double"""
3067 return _IMP_isd.FNormal_evaluate_derivative_FM(self)
3069 def evaluate_derivative_sigma(self):
3070 r"""evaluate_derivative_sigma(FNormal self) -> double"""
3071 return _IMP_isd.FNormal_evaluate_derivative_sigma(self)
3073 def do_get_density(self):
3074 r"""do_get_density(FNormal self) -> double"""
3075 return _IMP_isd.FNormal_do_get_density(self)
3077 def set_FA(self, f):
3078 r"""set_FA(FNormal self, double f)"""
3079 return _IMP_isd.FNormal_set_FA(self, f)
3081 def set_JA(self, f):
3082 r"""set_JA(FNormal self, double f)"""
3083 return _IMP_isd.FNormal_set_JA(self, f)
3085 def set_FM(self, f):
3086 r"""set_FM(FNormal self, double f)"""
3087 return _IMP_isd.FNormal_set_FM(self, f)
3089 def set_sigma(self, f):
3090 r"""set_sigma(FNormal self, double f)"""
3091 return _IMP_isd.FNormal_set_sigma(self, f)
3092 __swig_destroy__ = _IMP_isd.delete_FNormal
3095 r"""__str__(FNormal self) -> std::string"""
3096 return _IMP_isd.FNormal___str__(self)
3099 r"""__repr__(FNormal self) -> std::string"""
3100 return _IMP_isd.FNormal___repr__(self)
3104 return _object_cast_to_FNormal(o)
3108 _IMP_isd.FNormal_swigregister(FNormal)
3109 class FStudentT(OneDimensionalSufficientDistribution):
3110 r"""Proxy of C++ IMP::isd::FStudentT class."""
3112 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3114 def __init__(self, *args):
3116 __init__(FStudentT self, IMP::Floats FXs, IMP::Floats JXs, double FM, double sigma, double nu, std::string name="FStudentT %1%") -> FStudentT
3117 __init__(FStudentT self, double sumFX, double sumFX2, unsigned int N, double LogJX, double FM, double sigma, double nu, std::string name="FStudentT %1%") -> FStudentT
3119 _IMP_isd.FStudentT_swiginit(self, _IMP_isd.new_FStudentT(*args))
3121 def update_sufficient_statistics(self, FXs, JXs):
3122 r"""update_sufficient_statistics(FStudentT self, IMP::Floats FXs, IMP::Floats JXs)"""
3123 return _IMP_isd.FStudentT_update_sufficient_statistics(self, FXs, JXs)
3125 def evaluate_derivative_Fx(self, Fx):
3126 r"""evaluate_derivative_Fx(FStudentT self, double Fx) -> double"""
3127 return _IMP_isd.FStudentT_evaluate_derivative_Fx(self, Fx)
3129 def evaluate_derivative_FX(self, FXs):
3130 r"""evaluate_derivative_FX(FStudentT self, IMP::Floats const FXs) -> IMP::Floats"""
3131 return _IMP_isd.FStudentT_evaluate_derivative_FX(self, FXs)
3133 def evaluate_derivative_LogJX(self):
3134 r"""evaluate_derivative_LogJX(FStudentT self) -> double"""
3135 return _IMP_isd.FStudentT_evaluate_derivative_LogJX(self)
3137 def evaluate_derivative_FM(self):
3138 r"""evaluate_derivative_FM(FStudentT self) -> double"""
3139 return _IMP_isd.FStudentT_evaluate_derivative_FM(self)
3141 def evaluate_derivative_sigma(self):
3142 r"""evaluate_derivative_sigma(FStudentT self) -> double"""
3143 return _IMP_isd.FStudentT_evaluate_derivative_sigma(self)
3145 def evaluate_derivative_nu(self):
3146 r"""evaluate_derivative_nu(FStudentT self) -> double"""
3147 return _IMP_isd.FStudentT_evaluate_derivative_nu(self)
3149 def update_cached_values(self):
3150 r"""update_cached_values(FStudentT self)"""
3151 return _IMP_isd.FStudentT_update_cached_values(self)
3153 def set_sumFX(self, v):
3154 r"""set_sumFX(FStudentT self, double v)"""
3155 return _IMP_isd.FStudentT_set_sumFX(self, v)
3157 def set_sumFX2(self, v):
3158 r"""set_sumFX2(FStudentT self, double v)"""
3159 return _IMP_isd.FStudentT_set_sumFX2(self, v)
3162 r"""set_N(FStudentT self, unsigned int v)"""
3163 return _IMP_isd.FStudentT_set_N(self, v)
3165 def set_LogJX(self, v):
3166 r"""set_LogJX(FStudentT self, double v)"""
3167 return _IMP_isd.FStudentT_set_LogJX(self, v)
3169 def set_FM(self, v):
3170 r"""set_FM(FStudentT self, double v)"""
3171 return _IMP_isd.FStudentT_set_FM(self, v)
3173 def set_sigma(self, v):
3174 r"""set_sigma(FStudentT self, double v)"""
3175 return _IMP_isd.FStudentT_set_sigma(self, v)
3177 def set_nu(self, v):
3178 r"""set_nu(FStudentT self, double v)"""
3179 return _IMP_isd.FStudentT_set_nu(self, v)
3181 def get_sumFX(self):
3182 r"""get_sumFX(FStudentT self) -> double"""
3183 return _IMP_isd.FStudentT_get_sumFX(self)
3185 def get_sumFX2(self):
3186 r"""get_sumFX2(FStudentT self) -> double"""
3187 return _IMP_isd.FStudentT_get_sumFX2(self)
3190 r"""get_N(FStudentT self) -> unsigned int"""
3191 return _IMP_isd.FStudentT_get_N(self)
3193 def get_LogJX(self):
3194 r"""get_LogJX(FStudentT self) -> double"""
3195 return _IMP_isd.FStudentT_get_LogJX(self)
3198 r"""get_FM(FStudentT self) -> double"""
3199 return _IMP_isd.FStudentT_get_FM(self)
3201 def get_sigma(self):
3202 r"""get_sigma(FStudentT self) -> double"""
3203 return _IMP_isd.FStudentT_get_sigma(self)
3206 r"""get_nu(FStudentT self) -> double"""
3207 return _IMP_isd.FStudentT_get_nu(self)
3208 __swig_destroy__ = _IMP_isd.delete_FStudentT
3211 r"""__str__(FStudentT self) -> std::string"""
3212 return _IMP_isd.FStudentT___str__(self)
3215 r"""__repr__(FStudentT self) -> std::string"""
3216 return _IMP_isd.FStudentT___repr__(self)
3220 return _object_cast_to_FStudentT(o)
3224 _IMP_isd.FStudentT_swigregister(FStudentT)
3226 r"""Proxy of C++ IMP::isd::vonMises class."""
3228 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3230 def __init__(self, x, mu, kappa):
3231 r"""__init__(vonMises self, double x, double mu, double kappa) -> vonMises"""
3232 _IMP_isd.vonMises_swiginit(self, _IMP_isd.new_vonMises(x, mu, kappa))
3235 r"""evaluate(vonMises self) -> double"""
3236 return _IMP_isd.vonMises_evaluate(self)
3238 def evaluate_derivative_x(self):
3239 r"""evaluate_derivative_x(vonMises self) -> double"""
3240 return _IMP_isd.vonMises_evaluate_derivative_x(self)
3242 def evaluate_derivative_mu(self):
3243 r"""evaluate_derivative_mu(vonMises self) -> double"""
3244 return _IMP_isd.vonMises_evaluate_derivative_mu(self)
3246 def evaluate_derivative_kappa(self):
3247 r"""evaluate_derivative_kappa(vonMises self) -> double"""
3248 return _IMP_isd.vonMises_evaluate_derivative_kappa(self)
3251 r"""density(vonMises self) -> double"""
3252 return _IMP_isd.vonMises_density(self)
3255 r"""set_x(vonMises self, double x)"""
3256 return _IMP_isd.vonMises_set_x(self, x)
3258 def set_mu(self, mu):
3259 r"""set_mu(vonMises self, double mu)"""
3260 return _IMP_isd.vonMises_set_mu(self, mu)
3262 def set_kappa(self, kappa):
3263 r"""set_kappa(vonMises self, double kappa)"""
3264 return _IMP_isd.vonMises_set_kappa(self, kappa)
3267 r"""get_version_info(vonMises self) -> VersionInfo"""
3268 return _IMP_isd.vonMises_get_version_info(self)
3269 __swig_destroy__ = _IMP_isd.delete_vonMises
3272 r"""__str__(vonMises self) -> std::string"""
3273 return _IMP_isd.vonMises___str__(self)
3276 r"""__repr__(vonMises self) -> std::string"""
3277 return _IMP_isd.vonMises___repr__(self)
3281 return _object_cast_to_vonMises(o)
3285 _IMP_isd.vonMises_swigregister(vonMises)
3287 r"""Proxy of C++ IMP::isd::vonMisesSufficient 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):
3293 __init__(vonMisesSufficient self, double chi, unsigned int N, double R0, double chiexp, double kappa) -> vonMisesSufficient
3294 __init__(vonMisesSufficient self, double chi, IMP::Floats obs, double kappa) -> vonMisesSufficient
3296 _IMP_isd.vonMisesSufficient_swiginit(self, _IMP_isd.new_vonMisesSufficient(*args))
3299 r"""evaluate(vonMisesSufficient self) -> double"""
3300 return _IMP_isd.vonMisesSufficient_evaluate(self)
3302 def evaluate_derivative_x(self):
3303 r"""evaluate_derivative_x(vonMisesSufficient self) -> double"""
3304 return _IMP_isd.vonMisesSufficient_evaluate_derivative_x(self)
3306 def evaluate_derivative_kappa(self):
3307 r"""evaluate_derivative_kappa(vonMisesSufficient self) -> double"""
3308 return _IMP_isd.vonMisesSufficient_evaluate_derivative_kappa(self)
3311 r"""density(vonMisesSufficient self) -> double"""
3312 return _IMP_isd.vonMisesSufficient_density(self)
3315 r"""get_x(vonMisesSufficient self) -> double"""
3316 return _IMP_isd.vonMisesSufficient_get_x(self)
3319 r"""get_R0(vonMisesSufficient self) -> double"""
3320 return _IMP_isd.vonMisesSufficient_get_R0(self)
3322 def get_chiexp(self):
3323 r"""get_chiexp(vonMisesSufficient self) -> double"""
3324 return _IMP_isd.vonMisesSufficient_get_chiexp(self)
3327 r"""get_N(vonMisesSufficient self) -> double"""
3328 return _IMP_isd.vonMisesSufficient_get_N(self)
3330 def get_kappa(self):
3331 r"""get_kappa(vonMisesSufficient self) -> double"""
3332 return _IMP_isd.vonMisesSufficient_get_kappa(self)
3335 r"""set_x(vonMisesSufficient self, double x)"""
3336 return _IMP_isd.vonMisesSufficient_set_x(self, x)
3338 def set_R0(self, R0):
3339 r"""set_R0(vonMisesSufficient self, double R0)"""
3340 return _IMP_isd.vonMisesSufficient_set_R0(self, R0)
3342 def set_chiexp(self, chiexp):
3343 r"""set_chiexp(vonMisesSufficient self, double chiexp)"""
3344 return _IMP_isd.vonMisesSufficient_set_chiexp(self, chiexp)
3347 r"""set_N(vonMisesSufficient self, unsigned int N)"""
3348 return _IMP_isd.vonMisesSufficient_set_N(self, N)
3350 def set_kappa(self, kappa):
3351 r"""set_kappa(vonMisesSufficient self, double kappa)"""
3352 return _IMP_isd.vonMisesSufficient_set_kappa(self, kappa)
3355 def get_sufficient_statistics(data):
3356 r"""get_sufficient_statistics(IMP::Floats data) -> IMP::Floats"""
3357 return _IMP_isd.vonMisesSufficient_get_sufficient_statistics(data)
3360 r"""get_version_info(vonMisesSufficient self) -> VersionInfo"""
3361 return _IMP_isd.vonMisesSufficient_get_version_info(self)
3362 __swig_destroy__ = _IMP_isd.delete_vonMisesSufficient
3365 r"""__str__(vonMisesSufficient self) -> std::string"""
3366 return _IMP_isd.vonMisesSufficient___str__(self)
3369 r"""__repr__(vonMisesSufficient self) -> std::string"""
3370 return _IMP_isd.vonMisesSufficient___repr__(self)
3374 return _object_cast_to_vonMisesSufficient(o)
3378 _IMP_isd.vonMisesSufficient_swigregister(vonMisesSufficient)
3379 class PenalizedComplexityPrior(OneDimensionalSufficientDistribution):
3380 r"""Proxy of C++ IMP::isd::PenalizedComplexityPrior class."""
3382 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3384 def __init__(self, *args):
3385 r"""__init__(PenalizedComplexityPrior self, double Dxi, double Jxi, double alpha, std::string name="PenalizedComplexityPrior %1%") -> PenalizedComplexityPrior"""
3386 _IMP_isd.PenalizedComplexityPrior_swiginit(self, _IMP_isd.new_PenalizedComplexityPrior(*args))
3388 def update_sufficient_statistics(self, Dxis, Jxis):
3389 r"""update_sufficient_statistics(PenalizedComplexityPrior self, IMP::Floats Dxis, IMP::Floats Jxis)"""
3390 return _IMP_isd.PenalizedComplexityPrior_update_sufficient_statistics(self, Dxis, Jxis)
3392 def evaluate_derivative_Dxi(self):
3393 r"""evaluate_derivative_Dxi(PenalizedComplexityPrior self) -> double"""
3394 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_Dxi(self)
3396 def evaluate_derivative_Jxi(self):
3397 r"""evaluate_derivative_Jxi(PenalizedComplexityPrior self) -> double"""
3398 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_Jxi(self)
3400 def evaluate_derivative_alpha(self):
3401 r"""evaluate_derivative_alpha(PenalizedComplexityPrior self) -> double"""
3402 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_alpha(self)
3404 def evaluate_derivative_xi(self, JJxi):
3405 r"""evaluate_derivative_xi(PenalizedComplexityPrior self, double JJxi) -> double"""
3406 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_xi(self, JJxi)
3408 def set_Dxi(self, v):
3409 r"""set_Dxi(PenalizedComplexityPrior self, double v)"""
3410 return _IMP_isd.PenalizedComplexityPrior_set_Dxi(self, v)
3412 def set_Jxi(self, v):
3413 r"""set_Jxi(PenalizedComplexityPrior self, double v)"""
3414 return _IMP_isd.PenalizedComplexityPrior_set_Jxi(self, v)
3416 def set_alpha(self, v):
3417 r"""set_alpha(PenalizedComplexityPrior self, double v)"""
3418 return _IMP_isd.PenalizedComplexityPrior_set_alpha(self, v)
3421 r"""get_Dxi(PenalizedComplexityPrior self) -> double"""
3422 return _IMP_isd.PenalizedComplexityPrior_get_Dxi(self)
3425 r"""get_Jxi(PenalizedComplexityPrior self) -> double"""
3426 return _IMP_isd.PenalizedComplexityPrior_get_Jxi(self)
3428 def get_alpha(self):
3429 r"""get_alpha(PenalizedComplexityPrior self) -> double"""
3430 return _IMP_isd.PenalizedComplexityPrior_get_alpha(self)
3431 __swig_destroy__ = _IMP_isd.delete_PenalizedComplexityPrior
3434 r"""__str__(PenalizedComplexityPrior self) -> std::string"""
3435 return _IMP_isd.PenalizedComplexityPrior___str__(self)
3438 r"""__repr__(PenalizedComplexityPrior self) -> std::string"""
3439 return _IMP_isd.PenalizedComplexityPrior___repr__(self)
3443 return _object_cast_to_PenalizedComplexityPrior(o)
3447 _IMP_isd.PenalizedComplexityPrior_swigregister(PenalizedComplexityPrior)
3449 r"""Proxy of C++ IMP::isd::vonMisesKappaJeffreysRestraint class."""
3451 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3453 def __init__(self, m, kappa):
3454 r"""__init__(vonMisesKappaJeffreysRestraint self, Model m, Particle kappa) -> vonMisesKappaJeffreysRestraint"""
3455 _IMP_isd.vonMisesKappaJeffreysRestraint_swiginit(self, _IMP_isd.new_vonMisesKappaJeffreysRestraint(m, kappa))
3458 r"""do_get_inputs(vonMisesKappaJeffreysRestraint self) -> IMP::ModelObjectsTemp"""
3459 return _IMP_isd.vonMisesKappaJeffreysRestraint_do_get_inputs(self)
3462 r"""get_version_info(vonMisesKappaJeffreysRestraint self) -> VersionInfo"""
3463 return _IMP_isd.vonMisesKappaJeffreysRestraint_get_version_info(self)
3464 __swig_destroy__ = _IMP_isd.delete_vonMisesKappaJeffreysRestraint
3466 def get_probability(self):
3467 r"""get_probability(vonMisesKappaJeffreysRestraint self) -> double"""
3468 return _IMP_isd.vonMisesKappaJeffreysRestraint_get_probability(self)
3471 r"""__str__(vonMisesKappaJeffreysRestraint self) -> std::string"""
3472 return _IMP_isd.vonMisesKappaJeffreysRestraint___str__(self)
3475 r"""__repr__(vonMisesKappaJeffreysRestraint self) -> std::string"""
3476 return _IMP_isd.vonMisesKappaJeffreysRestraint___repr__(self)
3480 return _object_cast_to_vonMisesKappaJeffreysRestraint(o)
3484 _IMP_isd.vonMisesKappaJeffreysRestraint_swigregister(vonMisesKappaJeffreysRestraint)
3486 r"""Proxy of C++ IMP::isd::vonMisesKappaConjugateRestraint class."""
3488 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3490 def __init__(self, m, kappa, c=10.0, R0=0.0):
3491 r"""__init__(vonMisesKappaConjugateRestraint self, Model m, Particle kappa, double c=10.0, double R0=0.0) -> vonMisesKappaConjugateRestraint"""
3492 _IMP_isd.vonMisesKappaConjugateRestraint_swiginit(self, _IMP_isd.new_vonMisesKappaConjugateRestraint(m, kappa, c, R0))
3495 r"""do_get_inputs(vonMisesKappaConjugateRestraint self) -> IMP::ModelObjectsTemp"""
3496 return _IMP_isd.vonMisesKappaConjugateRestraint_do_get_inputs(self)
3499 r"""get_version_info(vonMisesKappaConjugateRestraint self) -> VersionInfo"""
3500 return _IMP_isd.vonMisesKappaConjugateRestraint_get_version_info(self)
3501 __swig_destroy__ = _IMP_isd.delete_vonMisesKappaConjugateRestraint
3503 def get_probability(self):
3504 r"""get_probability(vonMisesKappaConjugateRestraint self) -> double"""
3505 return _IMP_isd.vonMisesKappaConjugateRestraint_get_probability(self)
3508 r"""__str__(vonMisesKappaConjugateRestraint self) -> std::string"""
3509 return _IMP_isd.vonMisesKappaConjugateRestraint___str__(self)
3512 r"""__repr__(vonMisesKappaConjugateRestraint self) -> std::string"""
3513 return _IMP_isd.vonMisesKappaConjugateRestraint___repr__(self)
3517 return _object_cast_to_vonMisesKappaConjugateRestraint(o)
3521 _IMP_isd.vonMisesKappaConjugateRestraint_swigregister(vonMisesKappaConjugateRestraint)
3523 r"""Proxy of C++ IMP::isd::NOERestraint class."""
3525 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3527 def __init__(self, m, p0, p1, sigma, gamma, Iexp):
3528 r"""__init__(NOERestraint self, Model m, Particle p0, Particle p1, Particle sigma, Particle gamma, double Iexp) -> NOERestraint"""
3529 _IMP_isd.NOERestraint_swiginit(self, _IMP_isd.new_NOERestraint(m, p0, p1, sigma, gamma, Iexp))
3531 def get_probability(self):
3532 r"""get_probability(NOERestraint self) -> double"""
3533 return _IMP_isd.NOERestraint_get_probability(self)
3536 r"""get_chi(NOERestraint self) -> double"""
3537 return _IMP_isd.NOERestraint_get_chi(self)
3540 r"""do_get_inputs(NOERestraint self) -> IMP::ModelObjectsTemp"""
3541 return _IMP_isd.NOERestraint_do_get_inputs(self)
3544 r"""get_version_info(NOERestraint self) -> VersionInfo"""
3545 return _IMP_isd.NOERestraint_get_version_info(self)
3546 __swig_destroy__ = _IMP_isd.delete_NOERestraint
3549 r"""__str__(NOERestraint self) -> std::string"""
3550 return _IMP_isd.NOERestraint___str__(self)
3553 r"""__repr__(NOERestraint self) -> std::string"""
3554 return _IMP_isd.NOERestraint___repr__(self)
3558 return _object_cast_to_NOERestraint(o)
3562 _IMP_isd.NOERestraint_swigregister(NOERestraint)
3564 r"""Proxy of C++ IMP::isd::GaussianRestraint class."""
3566 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3568 def __init__(self, *args):
3570 __init__(GaussianRestraint self, Particle x, Particle mu, Particle sigma) -> GaussianRestraint
3571 __init__(GaussianRestraint self, double x, Particle mu, Particle sigma) -> GaussianRestraint
3572 __init__(GaussianRestraint self, Particle x, double mu, Particle sigma) -> GaussianRestraint
3573 __init__(GaussianRestraint self, Particle x, Particle mu, double sigma) -> GaussianRestraint
3574 __init__(GaussianRestraint self, double x, double mu, Particle sigma) -> GaussianRestraint
3575 __init__(GaussianRestraint self, Particle x, double mu, double sigma) -> GaussianRestraint
3576 __init__(GaussianRestraint self, double x, Particle mu, double sigma) -> GaussianRestraint
3578 _IMP_isd.GaussianRestraint_swiginit(self, _IMP_isd.new_GaussianRestraint(*args))
3580 def get_probability(self):
3581 r"""get_probability(GaussianRestraint self) -> double"""
3582 return _IMP_isd.GaussianRestraint_get_probability(self)
3585 r"""get_chi(GaussianRestraint self) -> double"""
3586 return _IMP_isd.GaussianRestraint_get_chi(self)
3589 r"""do_get_inputs(GaussianRestraint self) -> IMP::ModelObjectsTemp"""
3590 return _IMP_isd.GaussianRestraint_do_get_inputs(self)
3593 r"""get_version_info(GaussianRestraint self) -> VersionInfo"""
3594 return _IMP_isd.GaussianRestraint_get_version_info(self)
3595 __swig_destroy__ = _IMP_isd.delete_GaussianRestraint
3598 r"""__str__(GaussianRestraint self) -> std::string"""
3599 return _IMP_isd.GaussianRestraint___str__(self)
3602 r"""__repr__(GaussianRestraint self) -> std::string"""
3603 return _IMP_isd.GaussianRestraint___repr__(self)
3607 return _object_cast_to_GaussianRestraint(o)
3611 _IMP_isd.GaussianRestraint_swigregister(GaussianRestraint)
3613 r"""Proxy of C++ IMP::isd::StudentTRestraint class."""
3615 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3617 def __init__(self, *args):
3619 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3620 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3621 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3622 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3623 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3624 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3625 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, double sigma, double nu) -> StudentTRestraint
3626 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, double sigma, double nu) -> StudentTRestraint
3627 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3628 __init__(StudentTRestraint self, Model m, double x, double mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3629 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3630 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3631 __init__(StudentTRestraint self, Model m, double x, double mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3632 __init__(StudentTRestraint self, Model m, double x, double mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3633 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, double sigma, double nu) -> StudentTRestraint
3635 _IMP_isd.StudentTRestraint_swiginit(self, _IMP_isd.new_StudentTRestraint(*args))
3637 def get_probability(self):
3638 r"""get_probability(StudentTRestraint self) -> double"""
3639 return _IMP_isd.StudentTRestraint_get_probability(self)
3642 r"""do_get_inputs(StudentTRestraint self) -> IMP::ModelObjectsTemp"""
3643 return _IMP_isd.StudentTRestraint_do_get_inputs(self)
3646 r"""get_version_info(StudentTRestraint self) -> VersionInfo"""
3647 return _IMP_isd.StudentTRestraint_get_version_info(self)
3648 __swig_destroy__ = _IMP_isd.delete_StudentTRestraint
3651 r"""__str__(StudentTRestraint self) -> std::string"""
3652 return _IMP_isd.StudentTRestraint___str__(self)
3655 r"""__repr__(StudentTRestraint self) -> std::string"""
3656 return _IMP_isd.StudentTRestraint___repr__(self)
3660 return _object_cast_to_StudentTRestraint(o)
3664 _IMP_isd.StudentTRestraint_swigregister(StudentTRestraint)
3666 r"""Proxy of C++ IMP::isd::LognormalRestraint class."""
3668 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3670 def __init__(self, *args):
3672 __init__(LognormalRestraint self, Particle x, Particle mu, Particle sigma) -> LognormalRestraint
3673 __init__(LognormalRestraint self, double x, Particle mu, Particle sigma) -> LognormalRestraint
3674 __init__(LognormalRestraint self, Particle x, double mu, Particle sigma) -> LognormalRestraint
3675 __init__(LognormalRestraint self, Particle x, Particle mu, double sigma) -> LognormalRestraint
3676 __init__(LognormalRestraint self, double x, double mu, Particle sigma) -> LognormalRestraint
3677 __init__(LognormalRestraint self, Particle x, double mu, double sigma) -> LognormalRestraint
3678 __init__(LognormalRestraint self, double x, Particle mu, double sigma) -> LognormalRestraint
3680 _IMP_isd.LognormalRestraint_swiginit(self, _IMP_isd.new_LognormalRestraint(*args))
3682 def get_probability(self):
3683 r"""get_probability(LognormalRestraint self) -> double"""
3684 return _IMP_isd.LognormalRestraint_get_probability(self)
3687 r"""get_chi(LognormalRestraint self) -> double"""
3688 return _IMP_isd.LognormalRestraint_get_chi(self)
3691 r"""do_get_inputs(LognormalRestraint self) -> IMP::ModelObjectsTemp"""
3692 return _IMP_isd.LognormalRestraint_do_get_inputs(self)
3695 r"""get_version_info(LognormalRestraint self) -> VersionInfo"""
3696 return _IMP_isd.LognormalRestraint_get_version_info(self)
3697 __swig_destroy__ = _IMP_isd.delete_LognormalRestraint
3700 r"""__str__(LognormalRestraint self) -> std::string"""
3701 return _IMP_isd.LognormalRestraint___str__(self)
3704 r"""__repr__(LognormalRestraint self) -> std::string"""
3705 return _IMP_isd.LognormalRestraint___repr__(self)
3709 return _object_cast_to_LognormalRestraint(o)
3713 _IMP_isd.LognormalRestraint_swigregister(LognormalRestraint)
3715 r"""Proxy of C++ IMP::isd::LognormalAmbiguousRestraint class."""
3717 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3719 def __init__(self, p1, p2, ki, sigmaG):
3720 r"""__init__(LognormalAmbiguousRestraint self, Particle p1, Particle p2, Particle ki, Particle sigmaG) -> LognormalAmbiguousRestraint"""
3721 _IMP_isd.LognormalAmbiguousRestraint_swiginit(self, _IMP_isd.new_LognormalAmbiguousRestraint(p1, p2, ki, sigmaG))
3723 def add_contribution(self, lexp, omega):
3724 r"""add_contribution(LognormalAmbiguousRestraint self, double lexp, Particle omega)"""
3725 return _IMP_isd.LognormalAmbiguousRestraint_add_contribution(self, lexp, omega)
3727 def get_number_of_contributions(self):
3728 r"""get_number_of_contributions(LognormalAmbiguousRestraint self) -> unsigned int"""
3729 return _IMP_isd.LognormalAmbiguousRestraint_get_number_of_contributions(self)
3731 def draw_k_from_posterior(self, kt):
3732 r"""draw_k_from_posterior(LognormalAmbiguousRestraint self, double kt)"""
3733 return _IMP_isd.LognormalAmbiguousRestraint_draw_k_from_posterior(self, kt)
3735 def get_probability(self):
3736 r"""get_probability(LognormalAmbiguousRestraint self) -> double"""
3737 return _IMP_isd.LognormalAmbiguousRestraint_get_probability(self)
3740 r"""do_get_inputs(LognormalAmbiguousRestraint self) -> IMP::ModelObjectsTemp"""
3741 return _IMP_isd.LognormalAmbiguousRestraint_do_get_inputs(self)
3744 r"""get_version_info(LognormalAmbiguousRestraint self) -> VersionInfo"""
3745 return _IMP_isd.LognormalAmbiguousRestraint_get_version_info(self)
3746 __swig_destroy__ = _IMP_isd.delete_LognormalAmbiguousRestraint
3749 r"""__str__(LognormalAmbiguousRestraint self) -> std::string"""
3750 return _IMP_isd.LognormalAmbiguousRestraint___str__(self)
3753 r"""__repr__(LognormalAmbiguousRestraint self) -> std::string"""
3754 return _IMP_isd.LognormalAmbiguousRestraint___repr__(self)
3758 return _object_cast_to_LognormalAmbiguousRestraint(o)
3762 _IMP_isd.LognormalAmbiguousRestraint_swigregister(LognormalAmbiguousRestraint)
3764 r"""Proxy of C++ IMP::isd::AmbiguousNOERestraint class."""
3766 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3768 def __init__(self, *args):
3770 __init__(AmbiguousNOERestraint self, Model m, PairContainer pc, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor gamma, double Iexp) -> AmbiguousNOERestraint
3771 __init__(AmbiguousNOERestraint self) -> AmbiguousNOERestraint
3773 _IMP_isd.AmbiguousNOERestraint_swiginit(self, _IMP_isd.new_AmbiguousNOERestraint(*args))
3775 def get_probability(self):
3776 r"""get_probability(AmbiguousNOERestraint self) -> double"""
3777 return _IMP_isd.AmbiguousNOERestraint_get_probability(self)
3780 r"""get_chi(AmbiguousNOERestraint self) -> double"""
3781 return _IMP_isd.AmbiguousNOERestraint_get_chi(self)
3784 r"""do_get_inputs(AmbiguousNOERestraint self) -> IMP::ModelObjectsTemp"""
3785 return _IMP_isd.AmbiguousNOERestraint_do_get_inputs(self)
3788 r"""get_version_info(AmbiguousNOERestraint self) -> VersionInfo"""
3789 return _IMP_isd.AmbiguousNOERestraint_get_version_info(self)
3790 __swig_destroy__ = _IMP_isd.delete_AmbiguousNOERestraint
3793 r"""__str__(AmbiguousNOERestraint self) -> std::string"""
3794 return _IMP_isd.AmbiguousNOERestraint___str__(self)
3797 r"""__repr__(AmbiguousNOERestraint self) -> std::string"""
3798 return _IMP_isd.AmbiguousNOERestraint___repr__(self)
3802 return _object_cast_to_AmbiguousNOERestraint(o)
3805 def _get_as_binary(self):
3806 r"""_get_as_binary(AmbiguousNOERestraint self) -> PyObject *"""
3807 return _IMP_isd.AmbiguousNOERestraint__get_as_binary(self)
3809 def _set_from_binary(self, p):
3810 r"""_set_from_binary(AmbiguousNOERestraint self, PyObject * p)"""
3811 return _IMP_isd.AmbiguousNOERestraint__set_from_binary(self, p)
3813 def __getstate__(self):
3814 p = self._get_as_binary()
3815 if len(self.__dict__) > 1:
3816 d = self.__dict__.copy()
3821 def __setstate__(self, p):
3822 if not hasattr(self,
'this'):
3824 if isinstance(p, tuple):
3826 self.__dict__.update(d)
3827 return self._set_from_binary(p)
3831 _IMP_isd.AmbiguousNOERestraint_swigregister(AmbiguousNOERestraint)
3833 r"""Proxy of C++ IMP::isd::MarginalNOERestraint class."""
3835 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3837 def __init__(self, m):
3838 r"""__init__(MarginalNOERestraint self, Model m) -> MarginalNOERestraint"""
3839 _IMP_isd.MarginalNOERestraint_swiginit(self, _IMP_isd.new_MarginalNOERestraint(m))
3841 def add_contribution(self, *args):
3843 add_contribution(MarginalNOERestraint self, Particle p1, Particle p2, double Iexp)
3844 add_contribution(MarginalNOERestraint self, PairContainer pc, double Iexp)
3846 return _IMP_isd.MarginalNOERestraint_add_contribution(self, *args)
3848 def get_log_gammahat(self):
3849 r"""get_log_gammahat(MarginalNOERestraint self) -> double"""
3850 return _IMP_isd.MarginalNOERestraint_get_log_gammahat(self)
3853 r"""get_SS(MarginalNOERestraint self) -> double"""
3854 return _IMP_isd.MarginalNOERestraint_get_SS(self)
3856 def get_number_of_contributions(self):
3857 r"""get_number_of_contributions(MarginalNOERestraint self) -> unsigned int"""
3858 return _IMP_isd.MarginalNOERestraint_get_number_of_contributions(self)
3860 def get_probability(self):
3861 r"""get_probability(MarginalNOERestraint self) -> double"""
3862 return _IMP_isd.MarginalNOERestraint_get_probability(self)
3865 r"""do_get_inputs(MarginalNOERestraint self) -> IMP::ModelObjectsTemp"""
3866 return _IMP_isd.MarginalNOERestraint_do_get_inputs(self)
3869 r"""get_version_info(MarginalNOERestraint self) -> VersionInfo"""
3870 return _IMP_isd.MarginalNOERestraint_get_version_info(self)
3871 __swig_destroy__ = _IMP_isd.delete_MarginalNOERestraint
3874 r"""__str__(MarginalNOERestraint self) -> std::string"""
3875 return _IMP_isd.MarginalNOERestraint___str__(self)
3878 r"""__repr__(MarginalNOERestraint self) -> std::string"""
3879 return _IMP_isd.MarginalNOERestraint___repr__(self)
3883 return _object_cast_to_MarginalNOERestraint(o)
3887 _IMP_isd.MarginalNOERestraint_swigregister(MarginalNOERestraint)
3889 r"""Proxy of C++ IMP::isd::MarginalHBondRestraint class."""
3891 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3893 def __init__(self, m):
3894 r"""__init__(MarginalHBondRestraint self, Model m) -> MarginalHBondRestraint"""
3895 _IMP_isd.MarginalHBondRestraint_swiginit(self, _IMP_isd.new_MarginalHBondRestraint(m))
3897 def add_contribution(self, *args):
3899 add_contribution(MarginalHBondRestraint self, Particle p1, Particle p2, double Iexp)
3900 add_contribution(MarginalHBondRestraint self, PairContainer pc, double Iexp)
3902 return _IMP_isd.MarginalHBondRestraint_add_contribution(self, *args)
3904 def get_logsquares(self):
3905 r"""get_logsquares(MarginalHBondRestraint self) -> double"""
3906 return _IMP_isd.MarginalHBondRestraint_get_logsquares(self)
3908 def get_number_of_contributions(self):
3909 r"""get_number_of_contributions(MarginalHBondRestraint self) -> unsigned int"""
3910 return _IMP_isd.MarginalHBondRestraint_get_number_of_contributions(self)
3912 def get_probability(self):
3913 r"""get_probability(MarginalHBondRestraint self) -> double"""
3914 return _IMP_isd.MarginalHBondRestraint_get_probability(self)
3917 r"""do_get_inputs(MarginalHBondRestraint self) -> IMP::ModelObjectsTemp"""
3918 return _IMP_isd.MarginalHBondRestraint_do_get_inputs(self)
3921 r"""get_version_info(MarginalHBondRestraint self) -> VersionInfo"""
3922 return _IMP_isd.MarginalHBondRestraint_get_version_info(self)
3923 __swig_destroy__ = _IMP_isd.delete_MarginalHBondRestraint
3926 r"""__str__(MarginalHBondRestraint self) -> std::string"""
3927 return _IMP_isd.MarginalHBondRestraint___str__(self)
3930 r"""__repr__(MarginalHBondRestraint self) -> std::string"""
3931 return _IMP_isd.MarginalHBondRestraint___repr__(self)
3935 return _object_cast_to_MarginalHBondRestraint(o)
3939 _IMP_isd.MarginalHBondRestraint_swigregister(MarginalHBondRestraint)
3941 r"""Proxy of C++ IMP::isd::TALOSRestraint class."""
3943 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3945 def __init__(self, *args):
3947 __init__(TALOSRestraint self, Model m, IMP::Particles p, IMP::Floats data, Particle kappa) -> TALOSRestraint
3948 __init__(TALOSRestraint self, Model m, Particle p1, Particle p2, Particle p3, Particle p4, IMP::Floats data, Particle kappa) -> TALOSRestraint
3949 __init__(TALOSRestraint self, Model m, IMP::Particles p, unsigned int N, double R0, double chiexp, Particle kappa) -> TALOSRestraint
3950 __init__(TALOSRestraint self, Model m, Particle p1, Particle p2, Particle p3, Particle p4, unsigned int N, double R0, double chiexp, Particle kappa) -> TALOSRestraint
3952 _IMP_isd.TALOSRestraint_swiginit(self, _IMP_isd.new_TALOSRestraint(*args))
3954 def get_probability(self):
3955 r"""get_probability(TALOSRestraint self) -> double"""
3956 return _IMP_isd.TALOSRestraint_get_probability(self)
3959 r"""get_R0(TALOSRestraint self) -> double"""
3960 return _IMP_isd.TALOSRestraint_get_R0(self)
3962 def get_chiexp(self):
3963 r"""get_chiexp(TALOSRestraint self) -> double"""
3964 return _IMP_isd.TALOSRestraint_get_chiexp(self)
3967 r"""do_get_inputs(TALOSRestraint self) -> IMP::ModelObjectsTemp"""
3968 return _IMP_isd.TALOSRestraint_do_get_inputs(self)
3971 r"""get_version_info(TALOSRestraint self) -> VersionInfo"""
3972 return _IMP_isd.TALOSRestraint_get_version_info(self)
3973 __swig_destroy__ = _IMP_isd.delete_TALOSRestraint
3976 r"""__str__(TALOSRestraint self) -> std::string"""
3977 return _IMP_isd.TALOSRestraint___str__(self)
3980 r"""__repr__(TALOSRestraint self) -> std::string"""
3981 return _IMP_isd.TALOSRestraint___repr__(self)
3985 return _object_cast_to_TALOSRestraint(o)
3989 _IMP_isd.TALOSRestraint_swigregister(TALOSRestraint)
3991 r"""Proxy of C++ IMP::isd::RepulsiveDistancePairScore class."""
3993 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3995 def __init__(self, d0, k):
3996 r"""__init__(RepulsiveDistancePairScore self, double d0, double k) -> RepulsiveDistancePairScore"""
3997 _IMP_isd.RepulsiveDistancePairScore_swiginit(self, _IMP_isd.new_RepulsiveDistancePairScore(d0, k))
3999 def get_rest_length(self):
4000 r"""get_rest_length(RepulsiveDistancePairScore self) -> double"""
4001 return _IMP_isd.RepulsiveDistancePairScore_get_rest_length(self)
4003 def get_stiffness(self):
4004 r"""get_stiffness(RepulsiveDistancePairScore self) -> double"""
4005 return _IMP_isd.RepulsiveDistancePairScore_get_stiffness(self)
4008 r"""do_get_inputs(RepulsiveDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4009 return _IMP_isd.RepulsiveDistancePairScore_do_get_inputs(self, m, pis)
4011 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4012 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"""
4013 return _IMP_isd.RepulsiveDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4015 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4016 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"""
4017 return _IMP_isd.RepulsiveDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4019 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4020 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"""
4021 return _IMP_isd.RepulsiveDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4023 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4024 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"""
4025 return _IMP_isd.RepulsiveDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4028 r"""get_version_info(RepulsiveDistancePairScore self) -> VersionInfo"""
4029 return _IMP_isd.RepulsiveDistancePairScore_get_version_info(self)
4030 __swig_destroy__ = _IMP_isd.delete_RepulsiveDistancePairScore
4033 r"""__str__(RepulsiveDistancePairScore self) -> std::string"""
4034 return _IMP_isd.RepulsiveDistancePairScore___str__(self)
4037 r"""__repr__(RepulsiveDistancePairScore self) -> std::string"""
4038 return _IMP_isd.RepulsiveDistancePairScore___repr__(self)
4042 return _object_cast_to_RepulsiveDistancePairScore(o)
4046 _IMP_isd.RepulsiveDistancePairScore_swigregister(RepulsiveDistancePairScore)
4048 r"""Proxy of C++ IMP::isd::AmbiguousRestraint class."""
4050 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4052 def __init__(self, *args):
4054 __init__(AmbiguousRestraint self, Model m, int d, Restraint r0, Restraint r1) -> AmbiguousRestraint
4055 __init__(AmbiguousRestraint self, Model m, int d, IMP::Restraints rs) -> AmbiguousRestraint
4056 __init__(AmbiguousRestraint self) -> AmbiguousRestraint
4058 _IMP_isd.AmbiguousRestraint_swiginit(self, _IMP_isd.new_AmbiguousRestraint(*args))
4060 def get_probability(self):
4061 r"""get_probability(AmbiguousRestraint self) -> double"""
4062 return _IMP_isd.AmbiguousRestraint_get_probability(self)
4065 r"""do_get_inputs(AmbiguousRestraint self) -> IMP::ModelObjectsTemp"""
4066 return _IMP_isd.AmbiguousRestraint_do_get_inputs(self)
4069 r"""get_version_info(AmbiguousRestraint self) -> VersionInfo"""
4070 return _IMP_isd.AmbiguousRestraint_get_version_info(self)
4071 __swig_destroy__ = _IMP_isd.delete_AmbiguousRestraint
4074 r"""__str__(AmbiguousRestraint self) -> std::string"""
4075 return _IMP_isd.AmbiguousRestraint___str__(self)
4078 r"""__repr__(AmbiguousRestraint self) -> std::string"""
4079 return _IMP_isd.AmbiguousRestraint___repr__(self)
4083 return _object_cast_to_AmbiguousRestraint(o)
4086 def _get_as_binary(self):
4087 r"""_get_as_binary(AmbiguousRestraint self) -> PyObject *"""
4088 return _IMP_isd.AmbiguousRestraint__get_as_binary(self)
4090 def _set_from_binary(self, p):
4091 r"""_set_from_binary(AmbiguousRestraint self, PyObject * p)"""
4092 return _IMP_isd.AmbiguousRestraint__set_from_binary(self, p)
4094 def __getstate__(self):
4095 p = self._get_as_binary()
4096 if len(self.__dict__) > 1:
4097 d = self.__dict__.copy()
4102 def __setstate__(self, p):
4103 if not hasattr(self,
'this'):
4105 if isinstance(p, tuple):
4107 self.__dict__.update(d)
4108 return self._set_from_binary(p)
4112 _IMP_isd.AmbiguousRestraint_swigregister(AmbiguousRestraint)
4113 IMP_ISD_UNIVARIATE_FUNCTIONS_MINIMUM = _IMP_isd.IMP_ISD_UNIVARIATE_FUNCTIONS_MINIMUM
4116 r"""Proxy of C++ IMP::isd::UnivariateFunction class."""
4118 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4120 def __init__(self, *args, **kwargs):
4121 raise AttributeError(
"No constructor defined - class is abstract")
4123 def __call__(self, *args):
4125 __call__(UnivariateFunction self, IMP::Floats const & x) -> IMP::Floats
4126 __call__(UnivariateFunction self, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4127 __call__(UnivariateFunction self, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4129 return _IMP_isd.UnivariateFunction___call__(self, *args)
4131 def has_changed(self):
4132 r"""has_changed(UnivariateFunction self) -> bool"""
4133 return _IMP_isd.UnivariateFunction_has_changed(self)
4136 r"""update(UnivariateFunction self)"""
4137 return _IMP_isd.UnivariateFunction_update(self)
4139 def add_to_derivatives(self, x, accum):
4140 r"""add_to_derivatives(UnivariateFunction self, IMP::Floats const & x, DerivativeAccumulator accum)"""
4141 return _IMP_isd.UnivariateFunction_add_to_derivatives(self, x, accum)
4143 def add_to_particle_derivative(self, particle_no, value, accum):
4144 r"""add_to_particle_derivative(UnivariateFunction self, unsigned int particle_no, double value, DerivativeAccumulator accum)"""
4145 return _IMP_isd.UnivariateFunction_add_to_particle_derivative(self, particle_no, value, accum)
4147 def get_derivative_vector(self, particle_no, xlist):
4148 r"""get_derivative_vector(UnivariateFunction self, unsigned int particle_no, IMP::FloatsList const & xlist) -> Eigen::VectorXd"""
4149 return _IMP_isd.UnivariateFunction_get_derivative_vector(self, particle_no, xlist)
4151 def get_derivative_matrix(self, xlist, stupid):
4152 r"""get_derivative_matrix(UnivariateFunction self, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList"""
4153 return _IMP_isd.UnivariateFunction_get_derivative_matrix(self, xlist, stupid)
4155 def get_second_derivative_vector(self, *args):
4157 get_second_derivative_vector(UnivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4158 get_second_derivative_vector(UnivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4160 return _IMP_isd.UnivariateFunction_get_second_derivative_vector(self, *args)
4162 def get_ndims_x(self):
4163 r"""get_ndims_x(UnivariateFunction self) -> unsigned int"""
4164 return _IMP_isd.UnivariateFunction_get_ndims_x(self)
4166 def get_ndims_y(self):
4167 r"""get_ndims_y(UnivariateFunction self) -> unsigned int"""
4168 return _IMP_isd.UnivariateFunction_get_ndims_y(self)
4170 def get_number_of_particles(self):
4171 r"""get_number_of_particles(UnivariateFunction self) -> unsigned int"""
4172 return _IMP_isd.UnivariateFunction_get_number_of_particles(self)
4174 def get_particle_is_optimized(self, particle_no):
4175 r"""get_particle_is_optimized(UnivariateFunction self, unsigned int particle_no) -> bool"""
4176 return _IMP_isd.UnivariateFunction_get_particle_is_optimized(self, particle_no)
4178 def get_number_of_optimized_particles(self):
4179 r"""get_number_of_optimized_particles(UnivariateFunction self) -> unsigned int"""
4180 return _IMP_isd.UnivariateFunction_get_number_of_optimized_particles(self)
4183 r"""get_inputs(UnivariateFunction self) -> IMP::ModelObjectsTemp"""
4184 return _IMP_isd.UnivariateFunction_get_inputs(self)
4185 __swig_destroy__ = _IMP_isd.delete_UnivariateFunction
4188 r"""__str__(UnivariateFunction self) -> std::string"""
4189 return _IMP_isd.UnivariateFunction___str__(self)
4192 r"""__repr__(UnivariateFunction self) -> std::string"""
4193 return _IMP_isd.UnivariateFunction___repr__(self)
4197 return _object_cast_to_UnivariateFunction(o)
4201 _IMP_isd.UnivariateFunction_swigregister(UnivariateFunction)
4202 class Linear1DFunction(UnivariateFunction):
4203 r"""Proxy of C++ IMP::isd::Linear1DFunction class."""
4205 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4207 def __init__(self, a, b):
4208 r"""__init__(Linear1DFunction self, Particle a, Particle b) -> Linear1DFunction"""
4209 _IMP_isd.Linear1DFunction_swiginit(self, _IMP_isd.new_Linear1DFunction(a, b))
4211 def __call__(self, *args):
4213 __call__(Linear1DFunction self, IMP::Floats const & x) -> IMP::Floats
4214 __call__(Linear1DFunction self, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4215 __call__(Linear1DFunction self, IMP::FloatsList const & xlist, bool arg3) -> IMP::FloatsList
4217 return _IMP_isd.Linear1DFunction___call__(self, *args)
4219 def get_second_derivative_vector(self, *args):
4221 get_second_derivative_vector(Linear1DFunction self, unsigned int arg2, unsigned int arg3, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4222 get_second_derivative_vector(Linear1DFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool arg5) -> IMP::FloatsList
4224 return _IMP_isd.Linear1DFunction_get_second_derivative_vector(self, *args)
4227 r"""get_version_info(Linear1DFunction self) -> VersionInfo"""
4228 return _IMP_isd.Linear1DFunction_get_version_info(self)
4229 __swig_destroy__ = _IMP_isd.delete_Linear1DFunction
4232 r"""__str__(Linear1DFunction self) -> std::string"""
4233 return _IMP_isd.Linear1DFunction___str__(self)
4236 r"""__repr__(Linear1DFunction self) -> std::string"""
4237 return _IMP_isd.Linear1DFunction___repr__(self)
4241 return _object_cast_to_Linear1DFunction(o)
4245 _IMP_isd.Linear1DFunction_swigregister(Linear1DFunction)
4246 class GeneralizedGuinierPorodFunction(UnivariateFunction):
4247 r"""Proxy of C++ IMP::isd::GeneralizedGuinierPorodFunction class."""
4249 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4251 def __init__(self, G, Rg, d, s, A):
4252 r"""__init__(GeneralizedGuinierPorodFunction self, Particle G, Particle Rg, Particle d, Particle s, Particle A) -> GeneralizedGuinierPorodFunction"""
4253 _IMP_isd.GeneralizedGuinierPorodFunction_swiginit(self, _IMP_isd.new_GeneralizedGuinierPorodFunction(G, Rg, d, s, A))
4255 def __call__(self, *args):
4257 __call__(GeneralizedGuinierPorodFunction self, IMP::Floats const & x) -> IMP::Floats
4258 __call__(GeneralizedGuinierPorodFunction self, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4259 __call__(GeneralizedGuinierPorodFunction self, IMP::FloatsList const & xlist, bool arg3) -> IMP::FloatsList
4261 return _IMP_isd.GeneralizedGuinierPorodFunction___call__(self, *args)
4263 def get_second_derivative_vector(self, *args):
4265 get_second_derivative_vector(GeneralizedGuinierPorodFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4266 get_second_derivative_vector(GeneralizedGuinierPorodFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool arg5) -> IMP::FloatsList
4268 return _IMP_isd.GeneralizedGuinierPorodFunction_get_second_derivative_vector(self, *args)
4271 r"""get_version_info(GeneralizedGuinierPorodFunction self) -> VersionInfo"""
4272 return _IMP_isd.GeneralizedGuinierPorodFunction_get_version_info(self)
4273 __swig_destroy__ = _IMP_isd.delete_GeneralizedGuinierPorodFunction
4276 r"""__str__(GeneralizedGuinierPorodFunction self) -> std::string"""
4277 return _IMP_isd.GeneralizedGuinierPorodFunction___str__(self)
4280 r"""__repr__(GeneralizedGuinierPorodFunction self) -> std::string"""
4281 return _IMP_isd.GeneralizedGuinierPorodFunction___repr__(self)
4285 return _object_cast_to_GeneralizedGuinierPorodFunction(o)
4289 _IMP_isd.GeneralizedGuinierPorodFunction_swigregister(GeneralizedGuinierPorodFunction)
4290 IMP_ISD_BIVARIATE_FUNCTIONS_MINIMUM = _IMP_isd.IMP_ISD_BIVARIATE_FUNCTIONS_MINIMUM
4293 r"""Proxy of C++ IMP::isd::BivariateFunction class."""
4295 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4297 def __init__(self, *args, **kwargs):
4298 raise AttributeError(
"No constructor defined - class is abstract")
4300 def __call__(self, *args):
4302 __call__(BivariateFunction self, IMP::Floats const & x1, IMP::Floats const & x2) -> IMP::Floats
4303 __call__(BivariateFunction self, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4304 __call__(BivariateFunction self, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4306 return _IMP_isd.BivariateFunction___call__(self, *args)
4308 def has_changed(self):
4309 r"""has_changed(BivariateFunction self) -> bool"""
4310 return _IMP_isd.BivariateFunction_has_changed(self)
4313 r"""update(BivariateFunction self)"""
4314 return _IMP_isd.BivariateFunction_update(self)
4316 def add_to_derivatives(self, x1, x2, accum):
4317 r"""add_to_derivatives(BivariateFunction self, IMP::Floats const & x1, IMP::Floats const & x2, DerivativeAccumulator accum)"""
4318 return _IMP_isd.BivariateFunction_add_to_derivatives(self, x1, x2, accum)
4320 def add_to_particle_derivative(self, particle_no, value, accum):
4321 r"""add_to_particle_derivative(BivariateFunction self, unsigned int particle_no, double value, DerivativeAccumulator accum)"""
4322 return _IMP_isd.BivariateFunction_add_to_particle_derivative(self, particle_no, value, accum)
4324 def get_derivative_matrix(self, *args):
4326 get_derivative_matrix(BivariateFunction self, unsigned int particle_no, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4327 get_derivative_matrix(BivariateFunction self, unsigned int particle_no, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4329 return _IMP_isd.BivariateFunction_get_derivative_matrix(self, *args)
4331 def get_second_derivative_matrix(self, *args):
4333 get_second_derivative_matrix(BivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4334 get_second_derivative_matrix(BivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4336 return _IMP_isd.BivariateFunction_get_second_derivative_matrix(self, *args)
4338 def get_ndims_x1(self):
4339 r"""get_ndims_x1(BivariateFunction self) -> unsigned int"""
4340 return _IMP_isd.BivariateFunction_get_ndims_x1(self)
4342 def get_ndims_x2(self):
4343 r"""get_ndims_x2(BivariateFunction self) -> unsigned int"""
4344 return _IMP_isd.BivariateFunction_get_ndims_x2(self)
4346 def get_ndims_y(self):
4347 r"""get_ndims_y(BivariateFunction self) -> unsigned int"""
4348 return _IMP_isd.BivariateFunction_get_ndims_y(self)
4350 def get_number_of_particles(self):
4351 r"""get_number_of_particles(BivariateFunction self) -> unsigned int"""
4352 return _IMP_isd.BivariateFunction_get_number_of_particles(self)
4354 def get_particle_is_optimized(self, particle_no):
4355 r"""get_particle_is_optimized(BivariateFunction self, unsigned int particle_no) -> bool"""
4356 return _IMP_isd.BivariateFunction_get_particle_is_optimized(self, particle_no)
4358 def get_number_of_optimized_particles(self):
4359 r"""get_number_of_optimized_particles(BivariateFunction self) -> unsigned int"""
4360 return _IMP_isd.BivariateFunction_get_number_of_optimized_particles(self)
4363 r"""get_inputs(BivariateFunction self) -> IMP::ModelObjectsTemp"""
4364 return _IMP_isd.BivariateFunction_get_inputs(self)
4365 __swig_destroy__ = _IMP_isd.delete_BivariateFunction
4368 r"""__str__(BivariateFunction self) -> std::string"""
4369 return _IMP_isd.BivariateFunction___str__(self)
4372 r"""__repr__(BivariateFunction self) -> std::string"""
4373 return _IMP_isd.BivariateFunction___repr__(self)
4377 return _object_cast_to_BivariateFunction(o)
4381 _IMP_isd.BivariateFunction_swigregister(BivariateFunction)
4382 class Covariance1DFunction(BivariateFunction):
4383 r"""Proxy of C++ IMP::isd::Covariance1DFunction class."""
4385 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4387 def __init__(self, tau, ilambda, alpha=2.0, jitter=0.0, cutoff=1e-7):
4388 r"""__init__(Covariance1DFunction self, Particle tau, Particle ilambda, double alpha=2.0, double jitter=0.0, double cutoff=1e-7) -> Covariance1DFunction"""
4389 _IMP_isd.Covariance1DFunction_swiginit(self, _IMP_isd.new_Covariance1DFunction(tau, ilambda, alpha, jitter, cutoff))
4391 def __call__(self, *args):
4393 __call__(Covariance1DFunction self, IMP::Floats const & x1, IMP::Floats const & x2) -> IMP::Floats
4394 __call__(Covariance1DFunction self, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4395 __call__(Covariance1DFunction self, IMP::FloatsList const & xlist, bool arg3) -> IMP::FloatsList
4397 return _IMP_isd.Covariance1DFunction___call__(self, *args)
4399 def get_derivative_matrix(self, *args):
4401 get_derivative_matrix(Covariance1DFunction self, unsigned int particle_no, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4402 get_derivative_matrix(Covariance1DFunction self, unsigned int particle_no, IMP::FloatsList const & xlist, bool arg4) -> IMP::FloatsList
4404 return _IMP_isd.Covariance1DFunction_get_derivative_matrix(self, *args)
4406 def get_second_derivative_matrix(self, *args):
4408 get_second_derivative_matrix(Covariance1DFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4409 get_second_derivative_matrix(Covariance1DFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool arg5) -> IMP::FloatsList
4411 return _IMP_isd.Covariance1DFunction_get_second_derivative_matrix(self, *args)
4414 r"""get_version_info(Covariance1DFunction self) -> VersionInfo"""
4415 return _IMP_isd.Covariance1DFunction_get_version_info(self)
4416 __swig_destroy__ = _IMP_isd.delete_Covariance1DFunction
4419 r"""__str__(Covariance1DFunction self) -> std::string"""
4420 return _IMP_isd.Covariance1DFunction___str__(self)
4423 r"""__repr__(Covariance1DFunction self) -> std::string"""
4424 return _IMP_isd.Covariance1DFunction___repr__(self)
4428 return _object_cast_to_Covariance1DFunction(o)
4432 _IMP_isd.Covariance1DFunction_swigregister(Covariance1DFunction)
4433 class GaussianProcessInterpolation(
IMP.Object):
4434 r"""Proxy of C++ IMP::isd::GaussianProcessInterpolation class."""
4436 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4438 def __init__(self, x, sample_mean, sample_std, n_obs, mean_function, covariance_function, sigma, sparse_cutoff=1e-7):
4439 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"""
4440 _IMP_isd.GaussianProcessInterpolation_swiginit(self, _IMP_isd.new_GaussianProcessInterpolation(x, sample_mean, sample_std, n_obs, mean_function, covariance_function, sigma, sparse_cutoff))
4442 def get_posterior_mean(self, x):
4443 r"""get_posterior_mean(GaussianProcessInterpolation self, IMP::Floats x) -> double"""
4444 return _IMP_isd.GaussianProcessInterpolation_get_posterior_mean(self, x)
4446 def get_posterior_covariance(self, x1, x2):
4447 r"""get_posterior_covariance(GaussianProcessInterpolation self, IMP::Floats x1, IMP::Floats x2) -> double"""
4448 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance(self, x1, x2)
4450 def get_posterior_covariance_matrix(self, x, arg3):
4451 r"""get_posterior_covariance_matrix(GaussianProcessInterpolation self, IMP::FloatsList x, bool arg3) -> IMP::FloatsList"""
4452 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance_matrix(self, x, arg3)
4454 def get_posterior_covariance_derivative(self, x, arg3):
4455 r"""get_posterior_covariance_derivative(GaussianProcessInterpolation self, IMP::Floats x, bool arg3) -> IMP::Floats"""
4456 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance_derivative(self, x, arg3)
4458 def get_posterior_covariance_hessian(self, x, arg3):
4459 r"""get_posterior_covariance_hessian(GaussianProcessInterpolation self, IMP::Floats x, bool arg3) -> IMP::FloatsList"""
4460 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance_hessian(self, x, arg3)
4463 r"""get_inputs(GaussianProcessInterpolation self) -> IMP::ModelObjectsTemp"""
4464 return _IMP_isd.GaussianProcessInterpolation_get_inputs(self)
4466 def force_mean_update(self):
4467 r"""force_mean_update(GaussianProcessInterpolation self)"""
4468 return _IMP_isd.GaussianProcessInterpolation_force_mean_update(self)
4470 def force_covariance_update(self):
4471 r"""force_covariance_update(GaussianProcessInterpolation self)"""
4472 return _IMP_isd.GaussianProcessInterpolation_force_covariance_update(self)
4474 def get_number_of_m_particles(self):
4475 r"""get_number_of_m_particles(GaussianProcessInterpolation self) -> unsigned int"""
4476 return _IMP_isd.GaussianProcessInterpolation_get_number_of_m_particles(self)
4478 def get_m_particle_is_optimized(self, i):
4479 r"""get_m_particle_is_optimized(GaussianProcessInterpolation self, unsigned int i) -> bool"""
4480 return _IMP_isd.GaussianProcessInterpolation_get_m_particle_is_optimized(self, i)
4482 def get_number_of_Omega_particles(self):
4483 r"""get_number_of_Omega_particles(GaussianProcessInterpolation self) -> unsigned int"""
4484 return _IMP_isd.GaussianProcessInterpolation_get_number_of_Omega_particles(self)
4486 def get_Omega_particle_is_optimized(self, i):
4487 r"""get_Omega_particle_is_optimized(GaussianProcessInterpolation self, unsigned int i) -> bool"""
4488 return _IMP_isd.GaussianProcessInterpolation_get_Omega_particle_is_optimized(self, i)
4490 def get_data_abscissa(self):
4491 r"""get_data_abscissa(GaussianProcessInterpolation self) -> IMP::FloatsList"""
4492 return _IMP_isd.GaussianProcessInterpolation_get_data_abscissa(self)
4494 def get_data_mean(self):
4495 r"""get_data_mean(GaussianProcessInterpolation self) -> IMP::Floats"""
4496 return _IMP_isd.GaussianProcessInterpolation_get_data_mean(self)
4498 def get_data_variance(self):
4499 r"""get_data_variance(GaussianProcessInterpolation self) -> IMP::FloatsList"""
4500 return _IMP_isd.GaussianProcessInterpolation_get_data_variance(self)
4503 r"""get_version_info(GaussianProcessInterpolation self) -> VersionInfo"""
4504 return _IMP_isd.GaussianProcessInterpolation_get_version_info(self)
4505 __swig_destroy__ = _IMP_isd.delete_GaussianProcessInterpolation
4508 r"""__str__(GaussianProcessInterpolation self) -> std::string"""
4509 return _IMP_isd.GaussianProcessInterpolation___str__(self)
4512 r"""__repr__(GaussianProcessInterpolation self) -> std::string"""
4513 return _IMP_isd.GaussianProcessInterpolation___repr__(self)
4517 return _object_cast_to_GaussianProcessInterpolation(o)
4521 _IMP_isd.GaussianProcessInterpolation_swigregister(GaussianProcessInterpolation)
4523 r"""Proxy of C++ IMP::isd::GaussianProcessInterpolationRestraint class."""
4525 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4527 def __init__(self, m, gpi):
4528 r"""__init__(GaussianProcessInterpolationRestraint self, Model m, GaussianProcessInterpolation gpi) -> GaussianProcessInterpolationRestraint"""
4529 _IMP_isd.GaussianProcessInterpolationRestraint_swiginit(self, _IMP_isd.new_GaussianProcessInterpolationRestraint(m, gpi))
4531 def get_probability(self):
4532 r"""get_probability(GaussianProcessInterpolationRestraint self) -> double"""
4533 return _IMP_isd.GaussianProcessInterpolationRestraint_get_probability(self)
4535 def set_use_cg(self, use, tol):
4536 r"""set_use_cg(GaussianProcessInterpolationRestraint self, bool use, double tol)"""
4537 return _IMP_isd.GaussianProcessInterpolationRestraint_set_use_cg(self, use, tol)
4539 def get_minus_log_normalization(self):
4540 r"""get_minus_log_normalization(GaussianProcessInterpolationRestraint self) -> double"""
4541 return _IMP_isd.GaussianProcessInterpolationRestraint_get_minus_log_normalization(self)
4543 def get_minus_exponent(self):
4544 r"""get_minus_exponent(GaussianProcessInterpolationRestraint self) -> double"""
4545 return _IMP_isd.GaussianProcessInterpolationRestraint_get_minus_exponent(self)
4547 def get_logdet_hessian(self):
4548 r"""get_logdet_hessian(GaussianProcessInterpolationRestraint self) -> double"""
4549 return _IMP_isd.GaussianProcessInterpolationRestraint_get_logdet_hessian(self)
4551 def get_hessian(self, *args):
4553 get_hessian(GaussianProcessInterpolationRestraint self) -> Eigen::MatrixXd
4554 get_hessian(GaussianProcessInterpolationRestraint self, bool unused) -> IMP::FloatsList
4556 return _IMP_isd.GaussianProcessInterpolationRestraint_get_hessian(self, *args)
4559 r"""do_get_inputs(GaussianProcessInterpolationRestraint self) -> IMP::ModelObjectsTemp"""
4560 return _IMP_isd.GaussianProcessInterpolationRestraint_do_get_inputs(self)
4563 r"""get_version_info(GaussianProcessInterpolationRestraint self) -> VersionInfo"""
4564 return _IMP_isd.GaussianProcessInterpolationRestraint_get_version_info(self)
4565 __swig_destroy__ = _IMP_isd.delete_GaussianProcessInterpolationRestraint
4568 r"""__str__(GaussianProcessInterpolationRestraint self) -> std::string"""
4569 return _IMP_isd.GaussianProcessInterpolationRestraint___str__(self)
4572 r"""__repr__(GaussianProcessInterpolationRestraint self) -> std::string"""
4573 return _IMP_isd.GaussianProcessInterpolationRestraint___repr__(self)
4577 return _object_cast_to_GaussianProcessInterpolationRestraint(o)
4581 _IMP_isd.GaussianProcessInterpolationRestraint_swigregister(GaussianProcessInterpolationRestraint)
4583 r"""Proxy of C++ IMP::isd::MolecularDynamics class."""
4585 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4587 def __init__(self, m=None):
4588 r"""__init__(MolecularDynamics self, Model m=None) -> MolecularDynamics"""
4589 _IMP_isd.MolecularDynamics_swiginit(self, _IMP_isd.new_MolecularDynamics(m))
4592 r"""__str__(MolecularDynamics self) -> std::string"""
4593 return _IMP_isd.MolecularDynamics___str__(self)
4596 r"""__repr__(MolecularDynamics self) -> std::string"""
4597 return _IMP_isd.MolecularDynamics___repr__(self)
4601 return _object_cast_to_MolecularDynamics(o)
4603 __swig_destroy__ = _IMP_isd.delete_MolecularDynamics
4606 _IMP_isd.MolecularDynamics_swigregister(MolecularDynamics)
4608 r"""Proxy of C++ IMP::isd::MolecularDynamicsMover class."""
4610 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4612 def __init__(self, m, nsteps=100, timestep=1.):
4613 r"""__init__(MolecularDynamicsMover self, Model m, unsigned int nsteps=100, IMP::Float timestep=1.) -> MolecularDynamicsMover"""
4614 _IMP_isd.MolecularDynamicsMover_swiginit(self, _IMP_isd.new_MolecularDynamicsMover(m, nsteps, timestep))
4617 r"""get_md(MolecularDynamicsMover self) -> MolecularDynamics"""
4618 return _IMP_isd.MolecularDynamicsMover_get_md(self)
4620 def get_number_of_md_steps(self):
4621 r"""get_number_of_md_steps(MolecularDynamicsMover self) -> unsigned int"""
4622 return _IMP_isd.MolecularDynamicsMover_get_number_of_md_steps(self)
4624 def set_number_of_md_steps(self, nsteps):
4625 r"""set_number_of_md_steps(MolecularDynamicsMover self, unsigned int nsteps)"""
4626 return _IMP_isd.MolecularDynamicsMover_set_number_of_md_steps(self, nsteps)
4629 r"""get_version_info(MolecularDynamicsMover self) -> VersionInfo"""
4630 return _IMP_isd.MolecularDynamicsMover_get_version_info(self)
4631 __swig_destroy__ = _IMP_isd.delete_MolecularDynamicsMover
4634 r"""__str__(MolecularDynamicsMover self) -> std::string"""
4635 return _IMP_isd.MolecularDynamicsMover___str__(self)
4638 r"""__repr__(MolecularDynamicsMover self) -> std::string"""
4639 return _IMP_isd.MolecularDynamicsMover___repr__(self)
4643 return _object_cast_to_MolecularDynamicsMover(o)
4647 _IMP_isd.MolecularDynamicsMover_swigregister(MolecularDynamicsMover)
4649 r"""Proxy of C++ IMP::isd::HybridMonteCarlo class."""
4651 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4653 def __init__(self, m, kT=1.0, steps=100, timestep=1.0, persistence=1):
4654 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"""
4655 _IMP_isd.HybridMonteCarlo_swiginit(self, _IMP_isd.new_HybridMonteCarlo(m, kT, steps, timestep, persistence))
4657 def get_kinetic_energy(self):
4658 r"""get_kinetic_energy(HybridMonteCarlo self) -> IMP::Float"""
4659 return _IMP_isd.HybridMonteCarlo_get_kinetic_energy(self)
4661 def get_potential_energy(self):
4662 r"""get_potential_energy(HybridMonteCarlo self) -> IMP::Float"""
4663 return _IMP_isd.HybridMonteCarlo_get_potential_energy(self)
4665 def get_total_energy(self):
4666 r"""get_total_energy(HybridMonteCarlo self) -> IMP::Float"""
4667 return _IMP_isd.HybridMonteCarlo_get_total_energy(self)
4669 def set_timestep(self, ts):
4670 r"""set_timestep(HybridMonteCarlo self, IMP::Float ts)"""
4671 return _IMP_isd.HybridMonteCarlo_set_timestep(self, ts)
4673 def get_timestep(self):
4674 r"""get_timestep(HybridMonteCarlo self) -> double"""
4675 return _IMP_isd.HybridMonteCarlo_get_timestep(self)
4677 def set_number_of_md_steps(self, nsteps):
4678 r"""set_number_of_md_steps(HybridMonteCarlo self, unsigned int nsteps)"""
4679 return _IMP_isd.HybridMonteCarlo_set_number_of_md_steps(self, nsteps)
4681 def get_number_of_md_steps(self):
4682 r"""get_number_of_md_steps(HybridMonteCarlo self) -> unsigned int"""
4683 return _IMP_isd.HybridMonteCarlo_get_number_of_md_steps(self)
4685 def set_persistence(self, persistence=1):
4686 r"""set_persistence(HybridMonteCarlo self, unsigned int persistence=1)"""
4687 return _IMP_isd.HybridMonteCarlo_set_persistence(self, persistence)
4689 def get_persistence(self):
4690 r"""get_persistence(HybridMonteCarlo self) -> unsigned int"""
4691 return _IMP_isd.HybridMonteCarlo_get_persistence(self)
4694 r"""get_md(HybridMonteCarlo self) -> MolecularDynamics"""
4695 return _IMP_isd.HybridMonteCarlo_get_md(self)
4697 def do_evaluate(self, arg2, arg3):
4698 r"""do_evaluate(HybridMonteCarlo self, IMP::ParticleIndexes const & arg2, bool arg3) -> double"""
4699 return _IMP_isd.HybridMonteCarlo_do_evaluate(self, arg2, arg3)
4702 r"""do_step(HybridMonteCarlo self)"""
4703 return _IMP_isd.HybridMonteCarlo_do_step(self)
4704 __swig_destroy__ = _IMP_isd.delete_HybridMonteCarlo
4707 r"""__str__(HybridMonteCarlo self) -> std::string"""
4708 return _IMP_isd.HybridMonteCarlo___str__(self)
4711 r"""__repr__(HybridMonteCarlo self) -> std::string"""
4712 return _IMP_isd.HybridMonteCarlo___repr__(self)
4716 return _object_cast_to_HybridMonteCarlo(o)
4720 _IMP_isd.HybridMonteCarlo_swigregister(HybridMonteCarlo)
4722 r"""Proxy of C++ IMP::isd::FretData class."""
4724 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4726 def __init__(self, *args):
4728 __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
4729 __init__(FretData self) -> FretData
4731 _IMP_isd.FretData_swiginit(self, _IMP_isd.new_FretData(*args))
4733 def get_closest(self, vec, value):
4734 r"""get_closest(FretData self, DistBase vec, double value) -> int"""
4735 return _IMP_isd.FretData_get_closest(self, vec, value)
4737 def get_probability(self, distn, dist, sigma):
4738 r"""get_probability(FretData self, IMP::Float distn, IMP::Float dist, IMP::Float sigma) -> IMP::Float"""
4739 return _IMP_isd.FretData_get_probability(self, distn, dist, sigma)
4741 def get_kernel(self, dist, R0):
4742 r"""get_kernel(FretData self, IMP::Float dist, IMP::Float R0) -> IMP::Float"""
4743 return _IMP_isd.FretData_get_kernel(self, dist, R0)
4745 def get_marginal_element(self, d_term, d_center, sigma):
4746 r"""get_marginal_element(FretData self, IMP::Float d_term, IMP::Float d_center, IMP::Float sigma) -> IMP::FloatPair"""
4747 return _IMP_isd.FretData_get_marginal_element(self, d_term, d_center, sigma)
4750 r"""get_version_info(FretData self) -> VersionInfo"""
4751 return _IMP_isd.FretData_get_version_info(self)
4752 __swig_destroy__ = _IMP_isd.delete_FretData
4755 r"""__str__(FretData self) -> std::string"""
4756 return _IMP_isd.FretData___str__(self)
4759 r"""__repr__(FretData self) -> std::string"""
4760 return _IMP_isd.FretData___repr__(self)
4764 return _object_cast_to_FretData(o)
4767 def _get_as_binary(self):
4768 r"""_get_as_binary(FretData self) -> PyObject *"""
4769 return _IMP_isd.FretData__get_as_binary(self)
4771 def _set_from_binary(self, p):
4772 r"""_set_from_binary(FretData self, PyObject * p)"""
4773 return _IMP_isd.FretData__set_from_binary(self, p)
4775 def __getstate__(self):
4776 p = self._get_as_binary()
4777 if len(self.__dict__) > 1:
4778 d = self.__dict__.copy()
4783 def __setstate__(self, p):
4784 if not hasattr(self,
'this'):
4786 if isinstance(p, tuple):
4788 self.__dict__.update(d)
4789 return self._set_from_binary(p)
4793 _IMP_isd.FretData_swigregister(FretData)
4795 r"""Proxy of C++ IMP::isd::FretRestraint class."""
4797 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4799 def __init__(self, *args):
4801 __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
4802 __init__(FretRestraint self, Particle kda, Particle Ida, Particle sumFi, Particle sigma0, Particle Pbl, double fexp) -> FretRestraint
4803 __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
4804 __init__(FretRestraint self) -> FretRestraint
4806 _IMP_isd.FretRestraint_swiginit(self, _IMP_isd.new_FretRestraint(*args))
4808 def get_sumFi(self):
4809 r"""get_sumFi(FretRestraint self) -> double"""
4810 return _IMP_isd.FretRestraint_get_sumFi(self)
4812 def get_average_sigma(self, fmod):
4813 r"""get_average_sigma(FretRestraint self, double fmod) -> double"""
4814 return _IMP_isd.FretRestraint_get_average_sigma(self, fmod)
4816 def get_standard_error(self):
4817 r"""get_standard_error(FretRestraint self) -> double"""
4818 return _IMP_isd.FretRestraint_get_standard_error(self)
4820 def get_model_fretr(self):
4821 r"""get_model_fretr(FretRestraint self) -> double"""
4822 return _IMP_isd.FretRestraint_get_model_fretr(self)
4824 def get_probability(self):
4825 r"""get_probability(FretRestraint self) -> double"""
4826 return _IMP_isd.FretRestraint_get_probability(self)
4828 def get_experimental_value(self):
4829 r"""get_experimental_value(FretRestraint self) -> double"""
4830 return _IMP_isd.FretRestraint_get_experimental_value(self)
4832 def set_experimental_value(self, fexp):
4833 r"""set_experimental_value(FretRestraint self, double fexp)"""
4834 return _IMP_isd.FretRestraint_set_experimental_value(self, fexp)
4837 r"""do_get_inputs(FretRestraint self) -> IMP::ModelObjectsTemp"""
4838 return _IMP_isd.FretRestraint_do_get_inputs(self)
4841 r"""get_version_info(FretRestraint self) -> VersionInfo"""
4842 return _IMP_isd.FretRestraint_get_version_info(self)
4843 __swig_destroy__ = _IMP_isd.delete_FretRestraint
4846 r"""__str__(FretRestraint self) -> std::string"""
4847 return _IMP_isd.FretRestraint___str__(self)
4850 r"""__repr__(FretRestraint self) -> std::string"""
4851 return _IMP_isd.FretRestraint___repr__(self)
4855 return _object_cast_to_FretRestraint(o)
4858 def _get_as_binary(self):
4859 r"""_get_as_binary(FretRestraint self) -> PyObject *"""
4860 return _IMP_isd.FretRestraint__get_as_binary(self)
4862 def _set_from_binary(self, p):
4863 r"""_set_from_binary(FretRestraint self, PyObject * p)"""
4864 return _IMP_isd.FretRestraint__set_from_binary(self, p)
4866 def __getstate__(self):
4867 p = self._get_as_binary()
4868 if len(self.__dict__) > 1:
4869 d = self.__dict__.copy()
4874 def __setstate__(self, p):
4875 if not hasattr(self,
'this'):
4877 if isinstance(p, tuple):
4879 self.__dict__.update(d)
4880 return self._set_from_binary(p)
4884 _IMP_isd.FretRestraint_swigregister(FretRestraint)
4886 r"""Proxy of C++ IMP::isd::CysteineCrossLinkData class."""
4888 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4890 def __init__(self, *args):
4892 __init__(CysteineCrossLinkData self, double fexp, IMP::Floats fmod_grid, IMP::Floats omega_grid, IMP::Floats omega0_grid, int prior_type=3) -> CysteineCrossLinkData
4893 __init__(CysteineCrossLinkData self) -> CysteineCrossLinkData
4895 _IMP_isd.CysteineCrossLinkData_swiginit(self, _IMP_isd.new_CysteineCrossLinkData(*args))
4897 def get_closest(self, vec, value):
4898 r"""get_closest(CysteineCrossLinkData self, DistBase vec, double value) -> int"""
4899 return _IMP_isd.CysteineCrossLinkData_get_closest(self, vec, value)
4901 def get_omegas(self, fmods, omega0):
4902 r"""get_omegas(CysteineCrossLinkData self, IMP::Floats fmods, double omega0) -> IMP::Floats"""
4903 return _IMP_isd.CysteineCrossLinkData_get_omegas(self, fmods, omega0)
4905 def get_nonmarginal_elements(self, fexp, fmods, omega):
4906 r"""get_nonmarginal_elements(CysteineCrossLinkData self, double fexp, IMP::Floats fmods, double omega) -> IMP::Floats"""
4907 return _IMP_isd.CysteineCrossLinkData_get_nonmarginal_elements(self, fexp, fmods, omega)
4909 def get_marginal_elements(self, fmods, omega0):
4910 r"""get_marginal_elements(CysteineCrossLinkData self, IMP::Floats fmods, double omega0) -> IMP::Floats"""
4911 return _IMP_isd.CysteineCrossLinkData_get_marginal_elements(self, fmods, omega0)
4913 def get_omega(self, fmod, omega0):
4914 r"""get_omega(CysteineCrossLinkData self, double fmod, double omega0) -> double"""
4915 return _IMP_isd.CysteineCrossLinkData_get_omega(self, fmod, omega0)
4917 def get_standard_deviation(self, fmod, omega0):
4918 r"""get_standard_deviation(CysteineCrossLinkData self, double fmod, double omega0) -> double"""
4919 return _IMP_isd.CysteineCrossLinkData_get_standard_deviation(self, fmod, omega0)
4921 def get_nonmarginal_element(self, fexp, fmod, omega):
4922 r"""get_nonmarginal_element(CysteineCrossLinkData self, double fexp, double fmod, double omega) -> double"""
4923 return _IMP_isd.CysteineCrossLinkData_get_nonmarginal_element(self, fexp, fmod, omega)
4925 def get_marginal_element(self, fmod, omega0):
4926 r"""get_marginal_element(CysteineCrossLinkData self, double fmod, double omega0) -> double"""
4927 return _IMP_isd.CysteineCrossLinkData_get_marginal_element(self, fmod, omega0)
4930 r"""get_version_info(CysteineCrossLinkData self) -> VersionInfo"""
4931 return _IMP_isd.CysteineCrossLinkData_get_version_info(self)
4932 __swig_destroy__ = _IMP_isd.delete_CysteineCrossLinkData
4935 r"""__str__(CysteineCrossLinkData self) -> std::string"""
4936 return _IMP_isd.CysteineCrossLinkData___str__(self)
4939 r"""__repr__(CysteineCrossLinkData self) -> std::string"""
4940 return _IMP_isd.CysteineCrossLinkData___repr__(self)
4944 return _object_cast_to_CysteineCrossLinkData(o)
4947 def _get_as_binary(self):
4948 r"""_get_as_binary(CysteineCrossLinkData self) -> PyObject *"""
4949 return _IMP_isd.CysteineCrossLinkData__get_as_binary(self)
4951 def _set_from_binary(self, p):
4952 r"""_set_from_binary(CysteineCrossLinkData self, PyObject * p)"""
4953 return _IMP_isd.CysteineCrossLinkData__set_from_binary(self, p)
4955 def __getstate__(self):
4956 p = self._get_as_binary()
4957 if len(self.__dict__) > 1:
4958 d = self.__dict__.copy()
4963 def __setstate__(self, p):
4964 if not hasattr(self,
'this'):
4966 if isinstance(p, tuple):
4968 self.__dict__.update(d)
4969 return self._set_from_binary(p)
4973 _IMP_isd.CysteineCrossLinkData_swigregister(CysteineCrossLinkData)
4975 r"""Proxy of C++ IMP::isd::CrossLinkData class."""
4977 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4979 def __init__(self, *args):
4981 __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
4982 __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
4983 __init__(CrossLinkData self) -> CrossLinkData
4985 _IMP_isd.CrossLinkData_swiginit(self, _IMP_isd.new_CrossLinkData(*args))
4987 def get_closest(self, vec, value):
4988 r"""get_closest(CrossLinkData self, DistBase vec, double value) -> int"""
4989 return _IMP_isd.CrossLinkData_get_closest(self, vec, value)
4991 def get_omegas(self, sigma, dists):
4992 r"""get_omegas(CrossLinkData self, double sigma, IMP::Floats dists) -> IMP::Floats"""
4993 return _IMP_isd.CrossLinkData_get_omegas(self, sigma, dists)
4995 def get_omega_prior(self, omega, omega0):
4996 r"""get_omega_prior(CrossLinkData self, double omega, double omega0) -> double"""
4997 return _IMP_isd.CrossLinkData_get_omega_prior(self, omega, omega0)
4999 def get_nonmarginal_elements(self, sigmai, dists):
5000 r"""get_nonmarginal_elements(CrossLinkData self, double sigmai, IMP::Floats dists) -> IMP::Floats"""
5001 return _IMP_isd.CrossLinkData_get_nonmarginal_elements(self, sigmai, dists)
5003 def get_marginal_elements(self, sigma, dists):
5004 r"""get_marginal_elements(CrossLinkData self, double sigma, IMP::Floats dists) -> IMP::Floats"""
5005 return _IMP_isd.CrossLinkData_get_marginal_elements(self, sigma, dists)
5007 def get_marginal_maximum(self, *args):
5009 get_marginal_maximum(CrossLinkData self, double sigma) -> double
5010 get_marginal_maximum(CrossLinkData self) -> double
5012 return _IMP_isd.CrossLinkData_get_marginal_maximum(self, *args)
5015 r"""get_version_info(CrossLinkData self) -> VersionInfo"""
5016 return _IMP_isd.CrossLinkData_get_version_info(self)
5017 __swig_destroy__ = _IMP_isd.delete_CrossLinkData
5020 r"""__str__(CrossLinkData self) -> std::string"""
5021 return _IMP_isd.CrossLinkData___str__(self)
5024 r"""__repr__(CrossLinkData self) -> std::string"""
5025 return _IMP_isd.CrossLinkData___repr__(self)
5029 return _object_cast_to_CrossLinkData(o)
5032 def _get_as_binary(self):
5033 r"""_get_as_binary(CrossLinkData self) -> PyObject *"""
5034 return _IMP_isd.CrossLinkData__get_as_binary(self)
5036 def _set_from_binary(self, p):
5037 r"""_set_from_binary(CrossLinkData self, PyObject * p)"""
5038 return _IMP_isd.CrossLinkData__set_from_binary(self, p)
5040 def __getstate__(self):
5041 p = self._get_as_binary()
5042 if len(self.__dict__) > 1:
5043 d = self.__dict__.copy()
5048 def __setstate__(self, p):
5049 if not hasattr(self,
'this'):
5051 if isinstance(p, tuple):
5053 self.__dict__.update(d)
5054 return self._set_from_binary(p)
5058 _IMP_isd.CrossLinkData_swigregister(CrossLinkData)
5060 r"""Proxy of C++ IMP::isd::CysteineCrossLinkRestraint class."""
5062 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5064 def __init__(self, *args):
5066 __init__(CysteineCrossLinkRestraint self, Model m, _ParticleIndexAdaptor beta, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor epsilon, _ParticleIndexAdaptor weight, CrossLinkData data, double fexp) -> CysteineCrossLinkRestraint
5067 __init__(CysteineCrossLinkRestraint self, Model m, _ParticleIndexAdaptor beta, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor epsilon, _ParticleIndexAdaptor weight, CrossLinkData data, CysteineCrossLinkData ccldata) -> CysteineCrossLinkRestraint
5068 __init__(CysteineCrossLinkRestraint self) -> CysteineCrossLinkRestraint
5070 _IMP_isd.CysteineCrossLinkRestraint_swiginit(self, _IMP_isd.new_CysteineCrossLinkRestraint(*args))
5072 def get_probability(self):
5073 r"""get_probability(CysteineCrossLinkRestraint self) -> double"""
5074 return _IMP_isd.CysteineCrossLinkRestraint_get_probability(self)
5076 def get_standard_error(self):
5077 r"""get_standard_error(CysteineCrossLinkRestraint self) -> double"""
5078 return _IMP_isd.CysteineCrossLinkRestraint_get_standard_error(self)
5080 def get_frequencies(self):
5081 r"""get_frequencies(CysteineCrossLinkRestraint self) -> IMP::Floats"""
5082 return _IMP_isd.CysteineCrossLinkRestraint_get_frequencies(self)
5084 def get_model_frequency(self):
5085 r"""get_model_frequency(CysteineCrossLinkRestraint self) -> double"""
5086 return _IMP_isd.CysteineCrossLinkRestraint_get_model_frequency(self)
5088 def get_distances(self):
5089 r"""get_distances(CysteineCrossLinkRestraint self) -> IMP::Floats"""
5090 return _IMP_isd.CysteineCrossLinkRestraint_get_distances(self)
5092 def get_truncated_normalization(self, mean, sigma):
5093 r"""get_truncated_normalization(CysteineCrossLinkRestraint self, double mean, double sigma) -> double"""
5094 return _IMP_isd.CysteineCrossLinkRestraint_get_truncated_normalization(self, mean, sigma)
5096 def get_normal_pdf(self, mean, sigma, x):
5097 r"""get_normal_pdf(CysteineCrossLinkRestraint self, double mean, double sigma, double x) -> double"""
5098 return _IMP_isd.CysteineCrossLinkRestraint_get_normal_pdf(self, mean, sigma, x)
5100 def add_contribution(self, *args):
5102 add_contribution(CysteineCrossLinkRestraint self, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2)
5103 add_contribution(CysteineCrossLinkRestraint self, IMP::ParticleIndexes p1, IMP::ParticleIndexes p2)
5105 return _IMP_isd.CysteineCrossLinkRestraint_add_contribution(self, *args)
5107 def get_CB_coordinates(self, ps):
5108 r"""get_CB_coordinates(CysteineCrossLinkRestraint self, IMP::ParticleIndexes const & ps) -> Vector3D"""
5109 return _IMP_isd.CysteineCrossLinkRestraint_get_CB_coordinates(self, ps)
5111 def get_number_of_contributions(self):
5112 r"""get_number_of_contributions(CysteineCrossLinkRestraint self) -> unsigned int"""
5113 return _IMP_isd.CysteineCrossLinkRestraint_get_number_of_contributions(self)
5116 r"""do_get_inputs(CysteineCrossLinkRestraint self) -> IMP::ModelObjectsTemp"""
5117 return _IMP_isd.CysteineCrossLinkRestraint_do_get_inputs(self)
5120 r"""get_version_info(CysteineCrossLinkRestraint self) -> VersionInfo"""
5121 return _IMP_isd.CysteineCrossLinkRestraint_get_version_info(self)
5122 __swig_destroy__ = _IMP_isd.delete_CysteineCrossLinkRestraint
5125 r"""__str__(CysteineCrossLinkRestraint self) -> std::string"""
5126 return _IMP_isd.CysteineCrossLinkRestraint___str__(self)
5129 r"""__repr__(CysteineCrossLinkRestraint self) -> std::string"""
5130 return _IMP_isd.CysteineCrossLinkRestraint___repr__(self)
5134 return _object_cast_to_CysteineCrossLinkRestraint(o)
5137 def _get_as_binary(self):
5138 r"""_get_as_binary(CysteineCrossLinkRestraint self) -> PyObject *"""
5139 return _IMP_isd.CysteineCrossLinkRestraint__get_as_binary(self)
5141 def _set_from_binary(self, p):
5142 r"""_set_from_binary(CysteineCrossLinkRestraint self, PyObject * p)"""
5143 return _IMP_isd.CysteineCrossLinkRestraint__set_from_binary(self, p)
5145 def __getstate__(self):
5146 p = self._get_as_binary()
5147 if len(self.__dict__) > 1:
5148 d = self.__dict__.copy()
5153 def __setstate__(self, p):
5154 if not hasattr(self,
'this'):
5156 if isinstance(p, tuple):
5158 self.__dict__.update(d)
5159 return self._set_from_binary(p)
5163 _IMP_isd.CysteineCrossLinkRestraint_swigregister(CysteineCrossLinkRestraint)
5165 r"""Proxy of C++ IMP::isd::WeightMover class."""
5167 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5169 def __init__(self, w, radius):
5170 r"""__init__(WeightMover self, Particle w, IMP::Float radius) -> WeightMover"""
5171 _IMP_isd.WeightMover_swiginit(self, _IMP_isd.new_WeightMover(w, radius))
5173 def set_radius(self, radius):
5174 r"""set_radius(WeightMover self, IMP::Float radius)"""
5175 return _IMP_isd.WeightMover_set_radius(self, radius)
5177 def get_radius(self):
5178 r"""get_radius(WeightMover self) -> IMP::Float"""
5179 return _IMP_isd.WeightMover_get_radius(self)
5182 r"""get_version_info(WeightMover self) -> VersionInfo"""
5183 return _IMP_isd.WeightMover_get_version_info(self)
5184 __swig_destroy__ = _IMP_isd.delete_WeightMover
5187 r"""__str__(WeightMover self) -> std::string"""
5188 return _IMP_isd.WeightMover___str__(self)
5191 r"""__repr__(WeightMover self) -> std::string"""
5192 return _IMP_isd.WeightMover___repr__(self)
5196 return _object_cast_to_WeightMover(o)
5200 _IMP_isd.WeightMover_swigregister(WeightMover)
5202 r"""Proxy of C++ IMP::isd::WeightRestraint class."""
5204 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5206 def __init__(self, w, wmin, wmax, kappa):
5207 r"""__init__(WeightRestraint self, Particle w, IMP::Float wmin, IMP::Float wmax, IMP::Float kappa) -> WeightRestraint"""
5208 _IMP_isd.WeightRestraint_swiginit(self, _IMP_isd.new_WeightRestraint(w, wmin, wmax, kappa))
5211 r"""do_get_inputs(WeightRestraint self) -> IMP::ModelObjectsTemp"""
5212 return _IMP_isd.WeightRestraint_do_get_inputs(self)
5215 r"""get_version_info(WeightRestraint self) -> VersionInfo"""
5216 return _IMP_isd.WeightRestraint_get_version_info(self)
5217 __swig_destroy__ = _IMP_isd.delete_WeightRestraint
5220 r"""__str__(WeightRestraint self) -> std::string"""
5221 return _IMP_isd.WeightRestraint___str__(self)
5224 r"""__repr__(WeightRestraint self) -> std::string"""
5225 return _IMP_isd.WeightRestraint___repr__(self)
5229 return _object_cast_to_WeightRestraint(o)
5233 _IMP_isd.WeightRestraint_swigregister(WeightRestraint)
5235 r"""Proxy of C++ IMP::isd::AtomicCrossLinkMSRestraint class."""
5237 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5239 def __init__(self, *args):
5241 __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
5242 __init__(AtomicCrossLinkMSRestraint self) -> AtomicCrossLinkMSRestraint
5244 _IMP_isd.AtomicCrossLinkMSRestraint_swiginit(self, _IMP_isd.new_AtomicCrossLinkMSRestraint(*args))
5246 def add_contribution(self, ppi, sigmas):
5247 r"""add_contribution(AtomicCrossLinkMSRestraint self, IMP::ParticleIndexPair const & ppi, IMP::ParticleIndexPair const & sigmas)"""
5248 return _IMP_isd.AtomicCrossLinkMSRestraint_add_contribution(self, ppi, sigmas)
5250 def evaluate_for_contributions(self, c, accum):
5251 r"""evaluate_for_contributions(AtomicCrossLinkMSRestraint self, IMP::Ints c, DerivativeAccumulator accum) -> IMP::Float"""
5252 return _IMP_isd.AtomicCrossLinkMSRestraint_evaluate_for_contributions(self, c, accum)
5254 def get_number_of_contributions(self):
5255 r"""get_number_of_contributions(AtomicCrossLinkMSRestraint self) -> unsigned int"""
5256 return _IMP_isd.AtomicCrossLinkMSRestraint_get_number_of_contributions(self)
5258 def get_contribution(self, i):
5259 r"""get_contribution(AtomicCrossLinkMSRestraint self, int i) -> IMP::ParticleIndexPair"""
5260 return _IMP_isd.AtomicCrossLinkMSRestraint_get_contribution(self, i)
5262 def get_contribution_sigmas(self, i):
5263 r"""get_contribution_sigmas(AtomicCrossLinkMSRestraint self, int i) -> IMP::ParticleIndexPair"""
5264 return _IMP_isd.AtomicCrossLinkMSRestraint_get_contribution_sigmas(self, i)
5267 r"""get_psi(AtomicCrossLinkMSRestraint self) -> ParticleIndex"""
5268 return _IMP_isd.AtomicCrossLinkMSRestraint_get_psi(self)
5271 r"""do_get_inputs(AtomicCrossLinkMSRestraint self) -> IMP::ModelObjectsTemp"""
5272 return _IMP_isd.AtomicCrossLinkMSRestraint_do_get_inputs(self)
5274 def show(self, out):
5275 r"""show(AtomicCrossLinkMSRestraint self, _ostream out)"""
5276 return _IMP_isd.AtomicCrossLinkMSRestraint_show(self, out)
5278 def set_slope(self, slope):
5279 r"""set_slope(AtomicCrossLinkMSRestraint self, IMP::Float slope)"""
5280 return _IMP_isd.AtomicCrossLinkMSRestraint_set_slope(self, slope)
5282 def set_part_of_log_score(self, hey):
5283 r"""set_part_of_log_score(AtomicCrossLinkMSRestraint self, bool hey)"""
5284 return _IMP_isd.AtomicCrossLinkMSRestraint_set_part_of_log_score(self, hey)
5287 r"""get_version_info(AtomicCrossLinkMSRestraint self) -> VersionInfo"""
5288 return _IMP_isd.AtomicCrossLinkMSRestraint_get_version_info(self)
5289 __swig_destroy__ = _IMP_isd.delete_AtomicCrossLinkMSRestraint
5292 r"""__str__(AtomicCrossLinkMSRestraint self) -> std::string"""
5293 return _IMP_isd.AtomicCrossLinkMSRestraint___str__(self)
5296 r"""__repr__(AtomicCrossLinkMSRestraint self) -> std::string"""
5297 return _IMP_isd.AtomicCrossLinkMSRestraint___repr__(self)
5301 return _object_cast_to_AtomicCrossLinkMSRestraint(o)
5304 def _get_as_binary(self):
5305 r"""_get_as_binary(AtomicCrossLinkMSRestraint self) -> PyObject *"""
5306 return _IMP_isd.AtomicCrossLinkMSRestraint__get_as_binary(self)
5308 def _set_from_binary(self, p):
5309 r"""_set_from_binary(AtomicCrossLinkMSRestraint self, PyObject * p)"""
5310 return _IMP_isd.AtomicCrossLinkMSRestraint__set_from_binary(self, p)
5312 def __getstate__(self):
5313 p = self._get_as_binary()
5314 if len(self.__dict__) > 1:
5315 d = self.__dict__.copy()
5320 def __setstate__(self, p):
5321 if not hasattr(self,
'this'):
5323 if isinstance(p, tuple):
5325 self.__dict__.update(d)
5326 return self._set_from_binary(p)
5330 _IMP_isd.AtomicCrossLinkMSRestraint_swigregister(AtomicCrossLinkMSRestraint)
5332 r"""Proxy of C++ IMP::isd::GaussianEMRestraint class."""
5334 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5336 def __init__(self, *args):
5338 __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
5339 __init__(GaussianEMRestraint self) -> GaussianEMRestraint
5341 _IMP_isd.GaussianEMRestraint_swiginit(self, _IMP_isd.new_GaussianEMRestraint(*args))
5343 def get_probability(self):
5344 r"""get_probability(GaussianEMRestraint self) -> double"""
5345 return _IMP_isd.GaussianEMRestraint_get_probability(self)
5348 r"""get_cross_correlation_coefficient(GaussianEMRestraint self) -> double"""
5349 return _IMP_isd.GaussianEMRestraint_get_cross_correlation_coefficient(self)
5351 def set_density_filename(self, density_fn):
5352 r"""set_density_filename(GaussianEMRestraint self, std::string density_fn)"""
5353 return _IMP_isd.GaussianEMRestraint_set_density_filename(self, density_fn)
5355 def compute_initial_scores(self):
5356 r"""compute_initial_scores(GaussianEMRestraint self)"""
5357 return _IMP_isd.GaussianEMRestraint_compute_initial_scores(self)
5359 def set_slope(self, s):
5360 r"""set_slope(GaussianEMRestraint self, IMP::Float s)"""
5361 return _IMP_isd.GaussianEMRestraint_set_slope(self, s)
5363 def get_slope(self):
5364 r"""get_slope(GaussianEMRestraint self) -> IMP::Float"""
5365 return _IMP_isd.GaussianEMRestraint_get_slope(self)
5368 r"""do_get_inputs(GaussianEMRestraint self) -> IMP::ModelObjectsTemp"""
5369 return _IMP_isd.GaussianEMRestraint_do_get_inputs(self)
5371 def show(self, out):
5372 r"""show(GaussianEMRestraint self, _ostream out)"""
5373 return _IMP_isd.GaussianEMRestraint_show(self, out)
5376 r"""get_version_info(GaussianEMRestraint self) -> VersionInfo"""
5377 return _IMP_isd.GaussianEMRestraint_get_version_info(self)
5378 __swig_destroy__ = _IMP_isd.delete_GaussianEMRestraint
5381 r"""__str__(GaussianEMRestraint self) -> std::string"""
5382 return _IMP_isd.GaussianEMRestraint___str__(self)
5385 r"""__repr__(GaussianEMRestraint self) -> std::string"""
5386 return _IMP_isd.GaussianEMRestraint___repr__(self)
5390 return _object_cast_to_GaussianEMRestraint(o)
5393 def _get_as_binary(self):
5394 r"""_get_as_binary(GaussianEMRestraint self) -> PyObject *"""
5395 return _IMP_isd.GaussianEMRestraint__get_as_binary(self)
5397 def _set_from_binary(self, p):
5398 r"""_set_from_binary(GaussianEMRestraint self, PyObject * p)"""
5399 return _IMP_isd.GaussianEMRestraint__set_from_binary(self, p)
5401 def __getstate__(self):
5402 p = self._get_as_binary()
5403 if len(self.__dict__) > 1:
5404 d = self.__dict__.copy()
5409 def __setstate__(self, p):
5410 if not hasattr(self,
'this'):
5412 if isinstance(p, tuple):
5414 self.__dict__.update(d)
5415 return self._set_from_binary(p)
5419 _IMP_isd.GaussianEMRestraint_swigregister(GaussianEMRestraint)
5420 class GaussianAnchorEMRestraint(ISDRestraint):
5421 r"""Proxy of C++ IMP::isd::GaussianAnchorEMRestraint class."""
5423 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5425 def __init__(self, *args):
5426 r"""__init__(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"""
5427 _IMP_isd.GaussianAnchorEMRestraint_swiginit(self, _IMP_isd.new_GaussianAnchorEMRestraint(*args))
5429 def get_density_particles(self):
5430 r"""get_density_particles(GaussianAnchorEMRestraint self) -> IMP::ParticlesTemp"""
5431 return _IMP_isd.GaussianAnchorEMRestraint_get_density_particles(self)
5432 __swig_destroy__ = _IMP_isd.delete_GaussianAnchorEMRestraint
5435 r"""__str__(GaussianAnchorEMRestraint self) -> std::string"""
5436 return _IMP_isd.GaussianAnchorEMRestraint___str__(self)
5439 r"""__repr__(GaussianAnchorEMRestraint self) -> std::string"""
5440 return _IMP_isd.GaussianAnchorEMRestraint___repr__(self)
5444 return _object_cast_to_GaussianAnchorEMRestraint(o)
5448 _IMP_isd.GaussianAnchorEMRestraint_swigregister(GaussianAnchorEMRestraint)
5450 r"""Proxy of C++ IMP::isd::GammaPrior class."""
5452 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5454 def __init__(self, *args):
5455 r"""__init__(GammaPrior self, Model m, Particle p, IMP::Float k, IMP::Float theta, std::string name="GammaPrior%1%") -> GammaPrior"""
5456 _IMP_isd.GammaPrior_swiginit(self, _IMP_isd.new_GammaPrior(*args))
5458 def evaluate_at(self, val):
5459 r"""evaluate_at(GammaPrior self, IMP::Float val) -> double"""
5460 return _IMP_isd.GammaPrior_evaluate_at(self, val)
5463 r"""do_get_inputs(GammaPrior self) -> IMP::ModelObjectsTemp"""
5464 return _IMP_isd.GammaPrior_do_get_inputs(self)
5467 r"""get_version_info(GammaPrior self) -> VersionInfo"""
5468 return _IMP_isd.GammaPrior_get_version_info(self)
5469 __swig_destroy__ = _IMP_isd.delete_GammaPrior
5471 def get_probability(self):
5472 r"""get_probability(GammaPrior self) -> double"""
5473 return _IMP_isd.GammaPrior_get_probability(self)
5476 r"""__str__(GammaPrior self) -> std::string"""
5477 return _IMP_isd.GammaPrior___str__(self)
5480 r"""__repr__(GammaPrior self) -> std::string"""
5481 return _IMP_isd.GammaPrior___repr__(self)
5485 return _object_cast_to_GammaPrior(o)
5489 _IMP_isd.GammaPrior_swigregister(GammaPrior)
5491 def sample_points_from_density(dmap_orig, npoints, threshold=0.0):
5492 r"""sample_points_from_density(DensityMap dmap_orig, int npoints, IMP::Float threshold=0.0) -> IMP::FloatsList"""
5493 return _IMP_isd.sample_points_from_density(dmap_orig, npoints, threshold)
5495 r"""Proxy of C++ IMP::isd::ResidueProteinProximityRestraint class."""
5497 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5499 def __init__(self, *args):
5500 r"""__init__(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"""
5501 _IMP_isd.ResidueProteinProximityRestraint_swiginit(self, _IMP_isd.new_ResidueProteinProximityRestraint(*args))
5503 def add_pairs_container(self, pc):
5504 r"""add_pairs_container(ResidueProteinProximityRestraint self, PairContainer pc)"""
5505 return _IMP_isd.ResidueProteinProximityRestraint_add_pairs_container(self, pc)
5507 def add_contribution_particles(self, ppis1, ppis2):
5508 r"""add_contribution_particles(ResidueProteinProximityRestraint self, IMP::ParticleIndexes const ppis1, IMP::ParticleIndexes const ppis2)"""
5509 return _IMP_isd.ResidueProteinProximityRestraint_add_contribution_particles(self, ppis1, ppis2)
5511 def evaluate_for_contributions(self, c):
5512 r"""evaluate_for_contributions(ResidueProteinProximityRestraint self, IMP::Ints c) -> double"""
5513 return _IMP_isd.ResidueProteinProximityRestraint_evaluate_for_contributions(self, c)
5515 def get_number_of_contributions(self):
5516 r"""get_number_of_contributions(ResidueProteinProximityRestraint self) -> unsigned int"""
5517 return _IMP_isd.ResidueProteinProximityRestraint_get_number_of_contributions(self)
5519 def set_sigma(self, sigma):
5520 r"""set_sigma(ResidueProteinProximityRestraint self, double sigma)"""
5521 return _IMP_isd.ResidueProteinProximityRestraint_set_sigma(self, sigma)
5523 def set_cutoff(self, cutoff):
5524 r"""set_cutoff(ResidueProteinProximityRestraint self, double cutoff)"""
5525 return _IMP_isd.ResidueProteinProximityRestraint_set_cutoff(self, cutoff)
5527 def set_max_score(self, max_score):
5528 r"""set_max_score(ResidueProteinProximityRestraint self, double max_score)"""
5529 return _IMP_isd.ResidueProteinProximityRestraint_set_max_score(self, max_score)
5531 def set_yi(self, yi):
5532 r"""set_yi(ResidueProteinProximityRestraint self, double yi)"""
5533 return _IMP_isd.ResidueProteinProximityRestraint_set_yi(self, yi)
5535 def set_interpolation_factor(self, interpolation_factor):
5536 r"""set_interpolation_factor(ResidueProteinProximityRestraint self, double interpolation_factor)"""
5537 return _IMP_isd.ResidueProteinProximityRestraint_set_interpolation_factor(self, interpolation_factor)
5539 def set_part_of_log_score(self, hey):
5540 r"""set_part_of_log_score(ResidueProteinProximityRestraint self, bool hey)"""
5541 return _IMP_isd.ResidueProteinProximityRestraint_set_part_of_log_score(self, hey)
5544 r"""do_get_inputs(ResidueProteinProximityRestraint self) -> IMP::ModelObjectsTemp"""
5545 return _IMP_isd.ResidueProteinProximityRestraint_do_get_inputs(self)
5548 r"""get_version_info(ResidueProteinProximityRestraint self) -> VersionInfo"""
5549 return _IMP_isd.ResidueProteinProximityRestraint_get_version_info(self)
5550 __swig_destroy__ = _IMP_isd.delete_ResidueProteinProximityRestraint
5553 r"""__str__(ResidueProteinProximityRestraint self) -> std::string"""
5554 return _IMP_isd.ResidueProteinProximityRestraint___str__(self)
5557 r"""__repr__(ResidueProteinProximityRestraint self) -> std::string"""
5558 return _IMP_isd.ResidueProteinProximityRestraint___repr__(self)
5562 return _object_cast_to_ResidueProteinProximityRestraint(o)
5566 _IMP_isd.ResidueProteinProximityRestraint_swigregister(ResidueProteinProximityRestraint)
5568 def get_module_name():
5569 r"""get_module_name() -> std::string const"""
5570 return _IMP_isd.get_module_name()
5573 r"""get_module_version() -> std::string const"""
5574 return _IMP_isd.get_module_version()
5577 r"""get_example_path(std::string fname) -> std::string"""
5578 return _IMP_isd.get_example_path(fname)
5581 r"""get_data_path(std::string fname) -> std::string"""
5582 return _IMP_isd.get_data_path(fname)
5584 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()
Ints get_index(const ParticlesTemp &particles, const Subset &subset, const Subsets &excluded)
Common base class for heavy weight IMP objects.
Simple molecular dynamics simulator.
Store a list of ParticleIndexes.
ScoreStates maintain invariants in the Model.
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.