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)
1095 def _get_contributions_sigma_numpy(rs):
1096 """Get the particle indexes for all sigma nuisances for all
1097 contributions to the given list of restraints."""
1100 nconts = [r.get_number_of_contributions()
for r
in rs]
1101 ret = numpy.empty((sum(nconts), 2), int)
1102 i = itertools.count(0)
1103 for (ncont, r)
in zip(nconts, rs):
1104 for c
in range(ncont):
1105 ret[next(i)] = r.get_contribution_sigma_indexes(c)
1109 def _get_contributions_psi_numpy(rs):
1110 """Get the particle indexes for psi sigma nuisances for all
1111 contributions to the given list of restraints."""
1114 nconts = [r.get_number_of_contributions()
for r
in rs]
1115 ret = numpy.empty(sum(nconts), int)
1116 i = itertools.count(0)
1117 for (ncont, r)
in zip(nconts, rs):
1118 for c
in range(ncont):
1119 ret[next(i)] = r.get_contribution_psi_index(c)
1123 def _get_contributions_particles_numpy(rs):
1124 """Get the particle indexes for crosslink endpoints for all
1125 contributions to the given list of restraints."""
1128 nconts = [r.get_number_of_contributions()
for r
in rs]
1129 ret = numpy.empty((sum(nconts), 2), int)
1130 i = itertools.count(0)
1131 for (ncont, r)
in zip(nconts, rs):
1132 for c
in range(ncont):
1133 ret[next(i)] = r.get_contribution_particle_indexes(c)
1137 def _get_contributions_segments(rs):
1138 """Map each contribution to the corresponding restraint index,
1139 suitable for use by jax.ops.segment_prod()."""
1142 nconts = [r.get_number_of_contributions()
for r
in rs]
1145 if any(n > 1
for n
in nconts):
1147 segment = itertools.count(0)
1148 for ncont
in nconts:
1149 segs.extend([next(segment)] * ncont)
1150 return numpy.array(segs)
1153 def _get_jax_for_restraints(cls, rs, space):
1154 """Get a JAX function that scores the given list of crosslink
1155 restraints. They must all have the same length, slope and
1156 get_log_prob flag."""
1157 import jax.numpy
as jnp
1161 def sphere_cap(r1, r2, d):
1162 short_range = jnp.minimum(4.0 / 3.0 * math.pi * r1 * r1 * r1,
1163 4.0 / 3.0 * math.pi * r2 * r2 * r2)
1164 mid_range = ((math.pi / 12 / d * (r1 + r2 - d) * (r1 + r2 - d)) *
1165 (d * d + 2 * d * r1 - 3 * r1 * r1 + 2 * d * r2
1166 + 6 * r1 * r2 - 3 * r2 * r2))
1168 d <= jnp.absolute(r1 - r2), short_range,
1169 jnp.where(d >= r1 + r2, 0., mid_range))
1171 def get_probability(xyz, r, scale, ps, sigma, psi, length,
1172 slope, segments, numrsr):
1177 dist = jnp.where(ps[:, 0] == ps[:, 1],
1178 36.0 / 35.0 * r[ps[:, 0]],
1179 space.distance(xyz[ps[:, 0]] - xyz[ps[:, 1]]))
1180 dist = jnp.maximum(dist, 0.0001)
1182 sigmai = scale[sigma[:, 0]]
1183 sigmaj = scale[sigma[:, 1]]
1185 voli = 4.0 / 3.0 * math.pi * sigmai * sigmai * sigmai
1186 volj = 4.0 / 3.0 * math.pi * sigmaj * sigmaj * sigmaj
1187 xlvol = (4.0 / 3.0 * math.pi * (length / 2.)
1188 * (length / 2.) * (length / 2.))
1190 close = dist < sigmai + sigmaj
1192 close, jnp.minimum(voli, xlvol),
1193 sphere_cap(sigmai, length / 2.,
1194 jnp.abs(dist - sigmaj - length / 2.)))
1196 close, jnp.minimum(volj, xlvol),
1197 sphere_cap(sigmaj, length / 2.,
1198 jnp.abs(dist - sigmai - length / 2.)))
1200 pofr = fi * fj / voli / volj
1201 term = psi * (1.0 - pofr) + pofr * (1.0 - psi)
1202 if slope
is not None:
1203 prior = jnp.exp(-slope * dist)
1205 onemprob = 1.0 - term
1207 if segments
is None:
1209 return 1.0 - onemprob
1213 return 1.0 - jax.ops.segment_prod(onemprob.T, segments, numrsr,
1214 indices_are_sorted=
True).T
1217 if r.get_is_length_variable():
1218 raise NotImplementedError(
"Only implemented for fixed-length")
1219 sigma = cls._get_contributions_sigma_numpy(rs)
1220 psi = cls._get_contributions_psi_numpy(rs)
1221 pis = cls._get_contributions_particles_numpy(rs)
1222 segments = cls._get_contributions_segments(rs)
1223 get_log_prob = rs[0].get_log_prob()
1224 length = rs[0].get_length()
1225 slope = rs[0].get_slope()
if rs[0].get_has_slope()
else None
1227 def jax_restraint(X):
1228 prob = get_probability(X[
'xyz'], X[
'r'], X['nuisance'], pis,
1229 sigma, psi, length, slope, segments,
1232 return -jnp.log(prob)
1238 return cls._wrap_jax_multiple(rs[0], jax_restraint,
1241 def _get_jax(self, space):
1242 return self._get_jax_for_restraints([self], space)
1245 def _get_jax_multiple(cls, restraints, space):
1246 import IMP._jax_util
1251 return (
"%.4f" % r.get_length(),
1252 "%.4f" % r.get_slope()
if r.get_has_slope()
else None,
1254 groups, ungrouped = IMP._jax_util.get_grouped_restraints(
1257 return ([cls._get_jax_for_restraints(g, space)
for g
in groups],
1263 _IMP_isd.CrossLinkMSRestraint_swigregister(CrossLinkMSRestraint)
1265 r"""Proxy of C++ IMP::isd::LogWrapper class."""
1267 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1269 def __init__(self, *args):
1271 __init__(LogWrapper self, Model m, double weight, std::string const & name="LogWrapper %1%") -> LogWrapper
1272 __init__(LogWrapper self, Model m, std::string const & name="LogWrapper %1%") -> LogWrapper
1273 __init__(LogWrapper self, IMP::RestraintsTemp const & rs, double weight, std::string const & name="LogWrapper %1%") -> LogWrapper
1274 __init__(LogWrapper self) -> LogWrapper
1276 _IMP_isd.LogWrapper_swiginit(self, _IMP_isd.new_LogWrapper(*args))
1278 def do_add_score_and_derivatives(self, sa):
1279 r"""do_add_score_and_derivatives(LogWrapper self, ScoreAccumulator sa)"""
1280 return _IMP_isd.LogWrapper_do_add_score_and_derivatives(self, sa)
1282 def do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis):
1283 r"""do_add_score_and_derivatives_moved(LogWrapper self, ScoreAccumulator sa, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
1284 return _IMP_isd.LogWrapper_do_add_score_and_derivatives_moved(self, sa, moved_pis, reset_pis)
1285 __swig_destroy__ = _IMP_isd.delete_LogWrapper
1288 r"""__str__(LogWrapper self) -> std::string"""
1289 return _IMP_isd.LogWrapper___str__(self)
1292 r"""__repr__(LogWrapper self) -> std::string"""
1293 return _IMP_isd.LogWrapper___repr__(self)
1297 return _object_cast_to_LogWrapper(o)
1300 def _get_as_binary(self):
1301 r"""_get_as_binary(LogWrapper self) -> PyObject *"""
1302 return _IMP_isd.LogWrapper__get_as_binary(self)
1304 def _set_from_binary(self, p):
1305 r"""_set_from_binary(LogWrapper self, PyObject * p)"""
1306 return _IMP_isd.LogWrapper__set_from_binary(self, p)
1308 def __getstate__(self):
1309 p = self._get_as_binary()
1310 if len(self.__dict__) > 1:
1311 d = self.__dict__.copy()
1316 def __setstate__(self, p):
1317 if not hasattr(self,
'this'):
1319 if isinstance(p, tuple):
1321 self.__dict__.update(d)
1322 return self._set_from_binary(p)
1325 def _get_jax(self, space):
1326 import jax.numpy
as jnp
1327 import IMP._jax_util
1328 restraints = [r.get_derived_object()
for r
in self.restraints]
1329 multi_funcs, funcs, keys = IMP._jax_util.get_restraints_jax_funcs_keys(
1332 rets = [f(jm)
for f
in multi_funcs]
1334 rets.append(jnp.stack([f(jm)
for f
in funcs], axis=-1))
1335 scores = jnp.concatenate(rets, axis=-1)
1336 return -jnp.sum(jnp.log(scores), axis=-1)
1337 return self._wrap_jax(jax_sf, keys=keys)
1341 _IMP_isd.LogWrapper_swigregister(LogWrapper)
1343 r"""Proxy of C++ IMP::isd::UniformPrior class."""
1345 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1347 def __init__(self, *args):
1349 __init__(UniformPrior self, Model m, Particle p, double k, double upperb, double lowerb, std::string name="UniformPrior%1%") -> UniformPrior
1350 __init__(UniformPrior self) -> UniformPrior
1352 _IMP_isd.UniformPrior_swiginit(self, _IMP_isd.new_UniformPrior(*args))
1355 r"""do_get_inputs(UniformPrior self) -> IMP::ModelObjectsTemp"""
1356 return _IMP_isd.UniformPrior_do_get_inputs(self)
1359 r"""get_version_info(UniformPrior self) -> VersionInfo"""
1360 return _IMP_isd.UniformPrior_get_version_info(self)
1361 __swig_destroy__ = _IMP_isd.delete_UniformPrior
1363 def get_probability(self):
1364 r"""get_probability(UniformPrior self) -> double"""
1365 return _IMP_isd.UniformPrior_get_probability(self)
1367 def get_range(self):
1368 r"""get_range(UniformPrior self) -> IMP::FloatRange"""
1369 return _IMP_isd.UniformPrior_get_range(self)
1372 r"""get_k(UniformPrior self) -> double"""
1373 return _IMP_isd.UniformPrior_get_k(self)
1376 r"""get_index(UniformPrior self) -> ParticleIndex"""
1377 return _IMP_isd.UniformPrior_get_index(self)
1380 r"""__str__(UniformPrior self) -> std::string"""
1381 return _IMP_isd.UniformPrior___str__(self)
1384 r"""__repr__(UniformPrior self) -> std::string"""
1385 return _IMP_isd.UniformPrior___repr__(self)
1389 return _object_cast_to_UniformPrior(o)
1392 def _get_as_binary(self):
1393 r"""_get_as_binary(UniformPrior self) -> PyObject *"""
1394 return _IMP_isd.UniformPrior__get_as_binary(self)
1396 def _set_from_binary(self, p):
1397 r"""_set_from_binary(UniformPrior self, PyObject * p)"""
1398 return _IMP_isd.UniformPrior__set_from_binary(self, p)
1400 def __getstate__(self):
1401 p = self._get_as_binary()
1402 if len(self.__dict__) > 1:
1403 d = self.__dict__.copy()
1408 def __setstate__(self, p):
1409 if not hasattr(self,
'this'):
1411 if isinstance(p, tuple):
1413 self.__dict__.update(d)
1414 return self._set_from_binary(p)
1417 def _get_jax(self, space):
1418 import jax.numpy
as jnp
1419 def score(jm, lb, ub, k, index):
1420 nuisance = jm[
'nuisance'][index]
1421 return 0.5 * k * (nuisance - jnp.clip(nuisance, lb, ub)) ** 2
1422 rng = self.get_range()
1423 f = functools.partial(score, lb=rng[0], ub=rng[1], k=self.get_k(),
1424 index=self.get_index())
1425 return self._wrap_jax(f, keys=[Scale.get_scale_key()])
1429 _IMP_isd.UniformPrior_swigregister(UniformPrior)
1431 r"""Proxy of C++ IMP::isd::Nuisance class."""
1433 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1435 def __init__(self, *args):
1437 __init__(Nuisance self) -> Nuisance
1438 __init__(Nuisance self, Model m, ParticleIndex id) -> Nuisance
1439 __init__(Nuisance self, _ParticleAdaptor d) -> Nuisance
1441 _IMP_isd.Nuisance_swiginit(self, _IMP_isd.new_Nuisance(*args))
1443 def show(self, *args):
1444 r"""show(Nuisance self, _ostream out=std::cout)"""
1445 return _IMP_isd.Nuisance_show(self, *args)
1448 def setup_particle(*args):
1450 setup_particle(Model m, ParticleIndex pi) -> Nuisance
1451 setup_particle(_ParticleAdaptor pa) -> Nuisance
1452 setup_particle(Model m, ParticleIndex pi, double nuisance) -> Nuisance
1453 setup_particle(_ParticleAdaptor pa, double nuisance) -> Nuisance
1455 return _IMP_isd.Nuisance_setup_particle(*args)
1458 def get_is_setup(*args):
1460 get_is_setup(_ParticleAdaptor p) -> bool
1461 get_is_setup(Model m, ParticleIndex pi) -> bool
1463 return _IMP_isd.Nuisance_get_is_setup(*args)
1466 def get_nuisance_key():
1467 r"""get_nuisance_key() -> FloatKey"""
1468 return _IMP_isd.Nuisance_get_nuisance_key()
1470 def get_nuisance(self):
1471 r"""get_nuisance(Nuisance self) -> IMP::Float"""
1472 return _IMP_isd.Nuisance_get_nuisance(self)
1474 def set_nuisance(self, d):
1475 r"""set_nuisance(Nuisance self, IMP::Float d)"""
1476 return _IMP_isd.Nuisance_set_nuisance(self, d)
1478 def get_has_lower(self):
1479 r"""get_has_lower(Nuisance self) -> bool"""
1480 return _IMP_isd.Nuisance_get_has_lower(self)
1482 def get_has_lower_float(self):
1483 r"""get_has_lower_float(Nuisance self) -> bool"""
1484 return _IMP_isd.Nuisance_get_has_lower_float(self)
1486 def get_has_lower_particle(self):
1487 r"""get_has_lower_particle(Nuisance self) -> bool"""
1488 return _IMP_isd.Nuisance_get_has_lower_particle(self)
1490 def get_lower(self):
1491 r"""get_lower(Nuisance self) -> IMP::Float"""
1492 return _IMP_isd.Nuisance_get_lower(self)
1495 def get_lower_key():
1496 r"""get_lower_key() -> FloatKey"""
1497 return _IMP_isd.Nuisance_get_lower_key()
1500 def get_lower_particle_key():
1501 r"""get_lower_particle_key() -> ParticleIndexKey"""
1502 return _IMP_isd.Nuisance_get_lower_particle_key()
1504 def set_lower(self, *args):
1506 set_lower(Nuisance self, IMP::Float d)
1507 set_lower(Nuisance self, Particle d)
1509 return _IMP_isd.Nuisance_set_lower(self, *args)
1511 def remove_lower(self):
1512 r"""remove_lower(Nuisance self)"""
1513 return _IMP_isd.Nuisance_remove_lower(self)
1515 def get_has_upper(self):
1516 r"""get_has_upper(Nuisance self) -> bool"""
1517 return _IMP_isd.Nuisance_get_has_upper(self)
1519 def get_has_upper_float(self):
1520 r"""get_has_upper_float(Nuisance self) -> bool"""
1521 return _IMP_isd.Nuisance_get_has_upper_float(self)
1523 def get_has_upper_particle(self):
1524 r"""get_has_upper_particle(Nuisance self) -> bool"""
1525 return _IMP_isd.Nuisance_get_has_upper_particle(self)
1527 def get_upper(self):
1528 r"""get_upper(Nuisance self) -> IMP::Float"""
1529 return _IMP_isd.Nuisance_get_upper(self)
1532 def get_upper_key():
1533 r"""get_upper_key() -> FloatKey"""
1534 return _IMP_isd.Nuisance_get_upper_key()
1537 def get_upper_particle_key():
1538 r"""get_upper_particle_key() -> ParticleIndexKey"""
1539 return _IMP_isd.Nuisance_get_upper_particle_key()
1541 def set_upper(self, *args):
1543 set_upper(Nuisance self, IMP::Float d)
1544 set_upper(Nuisance self, Particle d)
1546 return _IMP_isd.Nuisance_set_upper(self, *args)
1548 def remove_upper(self):
1549 r"""remove_upper(Nuisance self)"""
1550 return _IMP_isd.Nuisance_remove_upper(self)
1552 def get_nuisance_derivative(self):
1553 r"""get_nuisance_derivative(Nuisance self) -> IMP::Float"""
1554 return _IMP_isd.Nuisance_get_nuisance_derivative(self)
1556 def add_to_nuisance_derivative(self, d, accum):
1557 r"""add_to_nuisance_derivative(Nuisance self, IMP::Float d, DerivativeAccumulator accum)"""
1558 return _IMP_isd.Nuisance_add_to_nuisance_derivative(self, d, accum)
1560 def get_nuisance_is_optimized(self):
1561 r"""get_nuisance_is_optimized(Nuisance self) -> bool"""
1562 return _IMP_isd.Nuisance_get_nuisance_is_optimized(self)
1564 def set_nuisance_is_optimized(self, val):
1565 r"""set_nuisance_is_optimized(Nuisance self, bool val)"""
1566 return _IMP_isd.Nuisance_set_nuisance_is_optimized(self, val)
1568 def add_attribute(self, *args):
1570 add_attribute(Nuisance self, FloatKey k, IMP::Float v, bool opt)
1571 add_attribute(Nuisance self, FloatKey a0, IMP::Float a1)
1572 add_attribute(Nuisance self, IntKey a0, IMP::Int a1)
1573 add_attribute(Nuisance self, FloatsKey a0, IMP::Floats a1)
1574 add_attribute(Nuisance self, IntsKey a0, IMP::Ints a1)
1575 add_attribute(Nuisance self, StringKey a0, IMP::String a1)
1576 add_attribute(Nuisance self, ParticleIndexKey a0, Particle a1)
1577 add_attribute(Nuisance self, ObjectKey a0, Object a1)
1578 add_attribute(Nuisance self, SparseFloatKey a0, IMP::Float a1)
1579 add_attribute(Nuisance self, SparseIntKey a0, IMP::Int a1)
1580 add_attribute(Nuisance self, SparseStringKey a0, IMP::String a1)
1581 add_attribute(Nuisance self, SparseParticleIndexKey a0, ParticleIndex a1)
1583 return _IMP_isd.Nuisance_add_attribute(self, *args)
1585 def get_value(self, *args):
1587 get_value(Nuisance self, FloatKey a0) -> IMP::Float
1588 get_value(Nuisance self, IntKey a0) -> IMP::Int
1589 get_value(Nuisance self, FloatsKey a0) -> IMP::Floats
1590 get_value(Nuisance self, IntsKey a0) -> IMP::Ints
1591 get_value(Nuisance self, StringKey a0) -> IMP::String
1592 get_value(Nuisance self, ParticleIndexKey a0) -> Particle
1593 get_value(Nuisance self, ObjectKey a0) -> Object
1594 get_value(Nuisance self, SparseFloatKey a0) -> IMP::Float
1595 get_value(Nuisance self, SparseIntKey a0) -> IMP::Int
1596 get_value(Nuisance self, SparseStringKey a0) -> IMP::String
1597 get_value(Nuisance self, SparseParticleIndexKey a0) -> ParticleIndex
1599 return _IMP_isd.Nuisance_get_value(self, *args)
1601 def set_value(self, *args):
1603 set_value(Nuisance self, FloatKey a0, IMP::Float a1)
1604 set_value(Nuisance self, IntKey a0, IMP::Int a1)
1605 set_value(Nuisance self, FloatsKey a0, IMP::Floats a1)
1606 set_value(Nuisance self, IntsKey a0, IMP::Ints a1)
1607 set_value(Nuisance self, StringKey a0, IMP::String a1)
1608 set_value(Nuisance self, ParticleIndexKey a0, Particle a1)
1609 set_value(Nuisance self, ObjectKey a0, Object a1)
1610 set_value(Nuisance self, SparseFloatKey a0, IMP::Float a1)
1611 set_value(Nuisance self, SparseIntKey a0, IMP::Int a1)
1612 set_value(Nuisance self, SparseStringKey a0, IMP::String a1)
1613 set_value(Nuisance self, SparseParticleIndexKey a0, ParticleIndex a1)
1615 return _IMP_isd.Nuisance_set_value(self, *args)
1617 def remove_attribute(self, *args):
1619 remove_attribute(Nuisance self, FloatKey a0)
1620 remove_attribute(Nuisance self, IntKey a0)
1621 remove_attribute(Nuisance self, FloatsKey a0)
1622 remove_attribute(Nuisance self, IntsKey a0)
1623 remove_attribute(Nuisance self, StringKey a0)
1624 remove_attribute(Nuisance self, ParticleIndexKey a0)
1625 remove_attribute(Nuisance self, ObjectKey a0)
1626 remove_attribute(Nuisance self, SparseFloatKey a0)
1627 remove_attribute(Nuisance self, SparseIntKey a0)
1628 remove_attribute(Nuisance self, SparseStringKey a0)
1629 remove_attribute(Nuisance self, SparseParticleIndexKey a0)
1631 return _IMP_isd.Nuisance_remove_attribute(self, *args)
1633 def has_attribute(self, *args):
1635 has_attribute(Nuisance self, FloatKey a0) -> bool
1636 has_attribute(Nuisance self, IntKey a0) -> bool
1637 has_attribute(Nuisance self, FloatsKey a0) -> bool
1638 has_attribute(Nuisance self, IntsKey a0) -> bool
1639 has_attribute(Nuisance self, StringKey a0) -> bool
1640 has_attribute(Nuisance self, ParticleIndexKey a0) -> bool
1641 has_attribute(Nuisance self, ObjectKey a0) -> bool
1642 has_attribute(Nuisance self, SparseFloatKey a0) -> bool
1643 has_attribute(Nuisance self, SparseIntKey a0) -> bool
1644 has_attribute(Nuisance self, SparseStringKey a0) -> bool
1645 has_attribute(Nuisance self, SparseParticleIndexKey a0) -> bool
1647 return _IMP_isd.Nuisance_has_attribute(self, *args)
1649 def get_derivative(self, a0):
1650 r"""get_derivative(Nuisance self, FloatKey a0) -> double"""
1651 return _IMP_isd.Nuisance_get_derivative(self, a0)
1654 r"""get_name(Nuisance self) -> std::string"""
1655 return _IMP_isd.Nuisance_get_name(self)
1658 r"""clear_caches(Nuisance self)"""
1659 return _IMP_isd.Nuisance_clear_caches(self)
1661 def set_name(self, a0):
1662 r"""set_name(Nuisance self, std::string a0)"""
1663 return _IMP_isd.Nuisance_set_name(self, a0)
1666 r"""set_check_level(Nuisance self, IMP::CheckLevel a0)"""
1667 return _IMP_isd.Nuisance_set_check_level(self, a0)
1669 def add_to_derivative(self, a0, a1, a2):
1670 r"""add_to_derivative(Nuisance self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1671 return _IMP_isd.Nuisance_add_to_derivative(self, a0, a1, a2)
1673 def set_is_optimized(self, a0, a1):
1674 r"""set_is_optimized(Nuisance self, FloatKey a0, bool a1)"""
1675 return _IMP_isd.Nuisance_set_is_optimized(self, a0, a1)
1677 def get_is_optimized(self, a0):
1678 r"""get_is_optimized(Nuisance self, FloatKey a0) -> bool"""
1679 return _IMP_isd.Nuisance_get_is_optimized(self, a0)
1681 def get_check_level(self):
1682 r"""get_check_level(Nuisance self) -> IMP::CheckLevel"""
1683 return _IMP_isd.Nuisance_get_check_level(self)
1685 def __eq__(self, *args):
1687 __eq__(Nuisance self, Nuisance o) -> bool
1688 __eq__(Nuisance self, Particle d) -> bool
1690 return _IMP_isd.Nuisance___eq__(self, *args)
1692 def __ne__(self, *args):
1694 __ne__(Nuisance self, Nuisance o) -> bool
1695 __ne__(Nuisance self, Particle d) -> bool
1697 return _IMP_isd.Nuisance___ne__(self, *args)
1699 def __le__(self, *args):
1701 __le__(Nuisance self, Nuisance o) -> bool
1702 __le__(Nuisance self, Particle d) -> bool
1704 return _IMP_isd.Nuisance___le__(self, *args)
1706 def __lt__(self, *args):
1708 __lt__(Nuisance self, Nuisance o) -> bool
1709 __lt__(Nuisance self, Particle d) -> bool
1711 return _IMP_isd.Nuisance___lt__(self, *args)
1713 def __ge__(self, *args):
1715 __ge__(Nuisance self, Nuisance o) -> bool
1716 __ge__(Nuisance self, Particle d) -> bool
1718 return _IMP_isd.Nuisance___ge__(self, *args)
1720 def __gt__(self, *args):
1722 __gt__(Nuisance self, Nuisance o) -> bool
1723 __gt__(Nuisance self, Particle d) -> bool
1725 return _IMP_isd.Nuisance___gt__(self, *args)
1728 r"""__hash__(Nuisance self) -> std::size_t"""
1729 return _IMP_isd.Nuisance___hash__(self)
1732 r"""__str__(Nuisance self) -> std::string"""
1733 return _IMP_isd.Nuisance___str__(self)
1736 r"""__repr__(Nuisance self) -> std::string"""
1737 return _IMP_isd.Nuisance___repr__(self)
1739 def _get_as_binary(self):
1740 r"""_get_as_binary(Nuisance self) -> PyObject *"""
1741 return _IMP_isd.Nuisance__get_as_binary(self)
1743 def _set_from_binary(self, p):
1744 r"""_set_from_binary(Nuisance self, PyObject * p)"""
1745 return _IMP_isd.Nuisance__set_from_binary(self, p)
1747 def __getstate__(self):
1748 p = self._get_as_binary()
1749 if len(self.__dict__) > 1:
1750 d = self.__dict__.copy()
1755 def __setstate__(self, p):
1756 if not hasattr(self,
'this'):
1758 if isinstance(p, tuple):
1760 self.__dict__.update(d)
1761 return self._set_from_binary(p)
1763 __swig_destroy__ = _IMP_isd.delete_Nuisance
1766 _IMP_isd.Nuisance_swigregister(Nuisance)
1768 r"""Proxy of C++ IMP::isd::NuisanceScoreState class."""
1770 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1772 def __init__(self, *args):
1774 __init__(NuisanceScoreState self, Particle p) -> NuisanceScoreState
1775 __init__(NuisanceScoreState self) -> NuisanceScoreState
1777 _IMP_isd.NuisanceScoreState_swiginit(self, _IMP_isd.new_NuisanceScoreState(*args))
1780 r"""get_index(NuisanceScoreState self) -> ParticleIndex"""
1781 return _IMP_isd.NuisanceScoreState_get_index(self)
1783 def do_before_evaluate(self):
1784 r"""do_before_evaluate(NuisanceScoreState self)"""
1785 return _IMP_isd.NuisanceScoreState_do_before_evaluate(self)
1787 def do_after_evaluate(self, da):
1788 r"""do_after_evaluate(NuisanceScoreState self, DerivativeAccumulator da)"""
1789 return _IMP_isd.NuisanceScoreState_do_after_evaluate(self, da)
1792 r"""do_get_inputs(NuisanceScoreState self) -> IMP::ModelObjectsTemp"""
1793 return _IMP_isd.NuisanceScoreState_do_get_inputs(self)
1796 r"""do_get_outputs(NuisanceScoreState self) -> IMP::ModelObjectsTemp"""
1797 return _IMP_isd.NuisanceScoreState_do_get_outputs(self)
1800 r"""get_version_info(NuisanceScoreState self) -> VersionInfo"""
1801 return _IMP_isd.NuisanceScoreState_get_version_info(self)
1802 __swig_destroy__ = _IMP_isd.delete_NuisanceScoreState
1805 r"""__str__(NuisanceScoreState self) -> std::string"""
1806 return _IMP_isd.NuisanceScoreState___str__(self)
1809 r"""__repr__(NuisanceScoreState self) -> std::string"""
1810 return _IMP_isd.NuisanceScoreState___repr__(self)
1814 return _object_cast_to_NuisanceScoreState(o)
1817 def _get_as_binary(self):
1818 r"""_get_as_binary(NuisanceScoreState self) -> PyObject *"""
1819 return _IMP_isd.NuisanceScoreState__get_as_binary(self)
1821 def _set_from_binary(self, p):
1822 r"""_set_from_binary(NuisanceScoreState self, PyObject * p)"""
1823 return _IMP_isd.NuisanceScoreState__set_from_binary(self, p)
1825 def __getstate__(self):
1826 p = self._get_as_binary()
1827 if len(self.__dict__) > 1:
1828 d = self.__dict__.copy()
1833 def __setstate__(self, p):
1834 if not hasattr(self,
'this'):
1836 if isinstance(p, tuple):
1838 self.__dict__.update(d)
1839 return self._set_from_binary(p)
1845 import jax.numpy
as jnp
1846 import IMP._jax_util
1847 def apply_func(jm, index, upper_f, upper_p, lower_f, lower_p):
1848 nuisances = jm[
'nuisance']
1849 up = jm[
'upper'][index]
if upper_f
else math.inf
1851 up = jax.lax.min(up, nuisances[jm[
'p_upper'][index]])
1852 low = jm[
'lower'][index]
if lower_f
else -math.inf
1854 low = jax.lax.max(low, nuisances[jm[
'p_lower'][index]])
1855 jm[
'nuisance'] = jm[
'nuisance'].at[index].set(
1856 jnp.clip(nuisances[index], low, up))
1858 p = self.get_index()
1859 m = self.get_model()
1861 upper_f, upper_p = n.get_has_upper_float(), n.get_has_upper_particle()
1862 lower_f, lower_p = n.get_has_lower_float(), n.get_has_lower_particle()
1863 if upper_p
or lower_p:
1867 keys = [IMP._jax_util._DenseKey(n.get_nuisance_key())]
1869 keys = [n.get_nuisance_key()]
1871 keys.append(n.get_upper_key())
1873 keys.append(n.get_upper_particle_key())
1875 keys.append(n.get_lower_key())
1877 keys.append(n.get_lower_particle_key())
1878 f = functools.partial(apply_func, index=p, upper_f=upper_f,
1879 upper_p=upper_p, lower_f=lower_f,
1881 return self._wrap_jax(f, keys)
1885 _IMP_isd.NuisanceScoreState_swigregister(NuisanceScoreState)
1886 class Scale(Nuisance):
1887 r"""Proxy of C++ IMP::isd::Scale class."""
1889 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1891 def __init__(self, *args):
1893 __init__(Scale self) -> Scale
1894 __init__(Scale self, Model m, ParticleIndex id) -> Scale
1895 __init__(Scale self, _ParticleAdaptor d) -> Scale
1897 _IMP_isd.Scale_swiginit(self, _IMP_isd.new_Scale(*args))
1899 def show(self, *args):
1900 r"""show(Scale self, _ostream out=std::cout)"""
1901 return _IMP_isd.Scale_show(self, *args)
1904 def setup_particle(*args):
1906 setup_particle(Model m, ParticleIndex pi) -> Scale
1907 setup_particle(_ParticleAdaptor pa) -> Scale
1908 setup_particle(Model m, ParticleIndex pi, double scale) -> Scale
1909 setup_particle(_ParticleAdaptor pa, double scale) -> Scale
1911 return _IMP_isd.Scale_setup_particle(*args)
1914 def get_is_setup(*args):
1916 get_is_setup(_ParticleAdaptor p) -> bool
1917 get_is_setup(Model m, ParticleIndex pi) -> bool
1919 return _IMP_isd.Scale_get_is_setup(*args)
1921 def get_scale(self):
1922 r"""get_scale(Scale self) -> IMP::Float"""
1923 return _IMP_isd.Scale_get_scale(self)
1925 def set_scale(self, d):
1926 r"""set_scale(Scale self, IMP::Float d)"""
1927 return _IMP_isd.Scale_set_scale(self, d)
1929 def add_to_scale_derivative(self, d, accum):
1930 r"""add_to_scale_derivative(Scale self, IMP::Float d, DerivativeAccumulator accum)"""
1931 return _IMP_isd.Scale_add_to_scale_derivative(self, d, accum)
1933 def get_scale_derivative(self):
1934 r"""get_scale_derivative(Scale self) -> IMP::Float"""
1935 return _IMP_isd.Scale_get_scale_derivative(self)
1938 def get_scale_key():
1939 r"""get_scale_key() -> FloatKey"""
1940 return _IMP_isd.Scale_get_scale_key()
1942 def get_scale_is_optimized(self):
1943 r"""get_scale_is_optimized(Scale self) -> bool"""
1944 return _IMP_isd.Scale_get_scale_is_optimized(self)
1946 def set_scale_is_optimized(self, val):
1947 r"""set_scale_is_optimized(Scale self, bool val)"""
1948 return _IMP_isd.Scale_set_scale_is_optimized(self, val)
1950 def add_attribute(self, *args):
1952 add_attribute(Scale self, FloatKey k, IMP::Float v, bool opt)
1953 add_attribute(Scale self, FloatKey a0, IMP::Float a1)
1954 add_attribute(Scale self, IntKey a0, IMP::Int a1)
1955 add_attribute(Scale self, FloatsKey a0, IMP::Floats a1)
1956 add_attribute(Scale self, IntsKey a0, IMP::Ints a1)
1957 add_attribute(Scale self, StringKey a0, IMP::String a1)
1958 add_attribute(Scale self, ParticleIndexKey a0, Particle a1)
1959 add_attribute(Scale self, ObjectKey a0, Object a1)
1960 add_attribute(Scale self, SparseFloatKey a0, IMP::Float a1)
1961 add_attribute(Scale self, SparseIntKey a0, IMP::Int a1)
1962 add_attribute(Scale self, SparseStringKey a0, IMP::String a1)
1963 add_attribute(Scale self, SparseParticleIndexKey a0, ParticleIndex a1)
1965 return _IMP_isd.Scale_add_attribute(self, *args)
1967 def get_value(self, *args):
1969 get_value(Scale self, FloatKey a0) -> IMP::Float
1970 get_value(Scale self, IntKey a0) -> IMP::Int
1971 get_value(Scale self, FloatsKey a0) -> IMP::Floats
1972 get_value(Scale self, IntsKey a0) -> IMP::Ints
1973 get_value(Scale self, StringKey a0) -> IMP::String
1974 get_value(Scale self, ParticleIndexKey a0) -> Particle
1975 get_value(Scale self, ObjectKey a0) -> Object
1976 get_value(Scale self, SparseFloatKey a0) -> IMP::Float
1977 get_value(Scale self, SparseIntKey a0) -> IMP::Int
1978 get_value(Scale self, SparseStringKey a0) -> IMP::String
1979 get_value(Scale self, SparseParticleIndexKey a0) -> ParticleIndex
1981 return _IMP_isd.Scale_get_value(self, *args)
1983 def set_value(self, *args):
1985 set_value(Scale self, FloatKey a0, IMP::Float a1)
1986 set_value(Scale self, IntKey a0, IMP::Int a1)
1987 set_value(Scale self, FloatsKey a0, IMP::Floats a1)
1988 set_value(Scale self, IntsKey a0, IMP::Ints a1)
1989 set_value(Scale self, StringKey a0, IMP::String a1)
1990 set_value(Scale self, ParticleIndexKey a0, Particle a1)
1991 set_value(Scale self, ObjectKey a0, Object a1)
1992 set_value(Scale self, SparseFloatKey a0, IMP::Float a1)
1993 set_value(Scale self, SparseIntKey a0, IMP::Int a1)
1994 set_value(Scale self, SparseStringKey a0, IMP::String a1)
1995 set_value(Scale self, SparseParticleIndexKey a0, ParticleIndex a1)
1997 return _IMP_isd.Scale_set_value(self, *args)
1999 def remove_attribute(self, *args):
2001 remove_attribute(Scale self, FloatKey a0)
2002 remove_attribute(Scale self, IntKey a0)
2003 remove_attribute(Scale self, FloatsKey a0)
2004 remove_attribute(Scale self, IntsKey a0)
2005 remove_attribute(Scale self, StringKey a0)
2006 remove_attribute(Scale self, ParticleIndexKey a0)
2007 remove_attribute(Scale self, ObjectKey a0)
2008 remove_attribute(Scale self, SparseFloatKey a0)
2009 remove_attribute(Scale self, SparseIntKey a0)
2010 remove_attribute(Scale self, SparseStringKey a0)
2011 remove_attribute(Scale self, SparseParticleIndexKey a0)
2013 return _IMP_isd.Scale_remove_attribute(self, *args)
2015 def has_attribute(self, *args):
2017 has_attribute(Scale self, FloatKey a0) -> bool
2018 has_attribute(Scale self, IntKey a0) -> bool
2019 has_attribute(Scale self, FloatsKey a0) -> bool
2020 has_attribute(Scale self, IntsKey a0) -> bool
2021 has_attribute(Scale self, StringKey a0) -> bool
2022 has_attribute(Scale self, ParticleIndexKey a0) -> bool
2023 has_attribute(Scale self, ObjectKey a0) -> bool
2024 has_attribute(Scale self, SparseFloatKey a0) -> bool
2025 has_attribute(Scale self, SparseIntKey a0) -> bool
2026 has_attribute(Scale self, SparseStringKey a0) -> bool
2027 has_attribute(Scale self, SparseParticleIndexKey a0) -> bool
2029 return _IMP_isd.Scale_has_attribute(self, *args)
2031 def get_derivative(self, a0):
2032 r"""get_derivative(Scale self, FloatKey a0) -> double"""
2033 return _IMP_isd.Scale_get_derivative(self, a0)
2036 r"""get_name(Scale self) -> std::string"""
2037 return _IMP_isd.Scale_get_name(self)
2040 r"""clear_caches(Scale self)"""
2041 return _IMP_isd.Scale_clear_caches(self)
2043 def set_name(self, a0):
2044 r"""set_name(Scale self, std::string a0)"""
2045 return _IMP_isd.Scale_set_name(self, a0)
2048 r"""set_check_level(Scale self, IMP::CheckLevel a0)"""
2049 return _IMP_isd.Scale_set_check_level(self, a0)
2051 def add_to_derivative(self, a0, a1, a2):
2052 r"""add_to_derivative(Scale self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2053 return _IMP_isd.Scale_add_to_derivative(self, a0, a1, a2)
2055 def set_is_optimized(self, a0, a1):
2056 r"""set_is_optimized(Scale self, FloatKey a0, bool a1)"""
2057 return _IMP_isd.Scale_set_is_optimized(self, a0, a1)
2059 def get_is_optimized(self, a0):
2060 r"""get_is_optimized(Scale self, FloatKey a0) -> bool"""
2061 return _IMP_isd.Scale_get_is_optimized(self, a0)
2063 def get_check_level(self):
2064 r"""get_check_level(Scale self) -> IMP::CheckLevel"""
2065 return _IMP_isd.Scale_get_check_level(self)
2067 def __eq__(self, *args):
2069 __eq__(Scale self, Scale o) -> bool
2070 __eq__(Scale self, Particle d) -> bool
2072 return _IMP_isd.Scale___eq__(self, *args)
2074 def __ne__(self, *args):
2076 __ne__(Scale self, Scale o) -> bool
2077 __ne__(Scale self, Particle d) -> bool
2079 return _IMP_isd.Scale___ne__(self, *args)
2081 def __le__(self, *args):
2083 __le__(Scale self, Scale o) -> bool
2084 __le__(Scale self, Particle d) -> bool
2086 return _IMP_isd.Scale___le__(self, *args)
2088 def __lt__(self, *args):
2090 __lt__(Scale self, Scale o) -> bool
2091 __lt__(Scale self, Particle d) -> bool
2093 return _IMP_isd.Scale___lt__(self, *args)
2095 def __ge__(self, *args):
2097 __ge__(Scale self, Scale o) -> bool
2098 __ge__(Scale self, Particle d) -> bool
2100 return _IMP_isd.Scale___ge__(self, *args)
2102 def __gt__(self, *args):
2104 __gt__(Scale self, Scale o) -> bool
2105 __gt__(Scale self, Particle d) -> bool
2107 return _IMP_isd.Scale___gt__(self, *args)
2110 r"""__hash__(Scale self) -> std::size_t"""
2111 return _IMP_isd.Scale___hash__(self)
2114 r"""__str__(Scale self) -> std::string"""
2115 return _IMP_isd.Scale___str__(self)
2118 r"""__repr__(Scale self) -> std::string"""
2119 return _IMP_isd.Scale___repr__(self)
2121 def _get_as_binary(self):
2122 r"""_get_as_binary(Scale self) -> PyObject *"""
2123 return _IMP_isd.Scale__get_as_binary(self)
2125 def _set_from_binary(self, p):
2126 r"""_set_from_binary(Scale self, PyObject * p)"""
2127 return _IMP_isd.Scale__set_from_binary(self, p)
2129 def __getstate__(self):
2130 p = self._get_as_binary()
2131 if len(self.__dict__) > 1:
2132 d = self.__dict__.copy()
2137 def __setstate__(self, p):
2138 if not hasattr(self,
'this'):
2140 if isinstance(p, tuple):
2142 self.__dict__.update(d)
2143 return self._set_from_binary(p)
2145 __swig_destroy__ = _IMP_isd.delete_Scale
2148 _IMP_isd.Scale_swigregister(Scale)
2149 class Switching(Nuisance):
2150 r"""Proxy of C++ IMP::isd::Switching class."""
2152 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2154 def __init__(self, *args):
2156 __init__(Switching self) -> Switching
2157 __init__(Switching self, Model m, ParticleIndex id) -> Switching
2158 __init__(Switching self, _ParticleAdaptor d) -> Switching
2160 _IMP_isd.Switching_swiginit(self, _IMP_isd.new_Switching(*args))
2162 def show(self, *args):
2163 r"""show(Switching self, _ostream out=std::cout)"""
2164 return _IMP_isd.Switching_show(self, *args)
2167 def setup_particle(*args):
2169 setup_particle(Model m, ParticleIndex pi) -> Switching
2170 setup_particle(_ParticleAdaptor pa) -> Switching
2171 setup_particle(Model m, ParticleIndex pi, double switching) -> Switching
2172 setup_particle(_ParticleAdaptor pa, double switching) -> Switching
2174 return _IMP_isd.Switching_setup_particle(*args)
2177 def get_is_setup(*args):
2179 get_is_setup(_ParticleAdaptor p) -> bool
2180 get_is_setup(Model m, ParticleIndex pi) -> bool
2182 return _IMP_isd.Switching_get_is_setup(*args)
2184 def get_switching(self):
2185 r"""get_switching(Switching self) -> IMP::Float"""
2186 return _IMP_isd.Switching_get_switching(self)
2188 def set_switching(self, d):
2189 r"""set_switching(Switching self, IMP::Float d)"""
2190 return _IMP_isd.Switching_set_switching(self, d)
2192 def add_to_switching_derivative(self, d, accum):
2193 r"""add_to_switching_derivative(Switching self, IMP::Float d, DerivativeAccumulator accum)"""
2194 return _IMP_isd.Switching_add_to_switching_derivative(self, d, accum)
2196 def get_switching_derivative(self):
2197 r"""get_switching_derivative(Switching self) -> IMP::Float"""
2198 return _IMP_isd.Switching_get_switching_derivative(self)
2201 def get_switching_key():
2202 r"""get_switching_key() -> FloatKey"""
2203 return _IMP_isd.Switching_get_switching_key()
2205 def get_switching_is_optimized(self):
2206 r"""get_switching_is_optimized(Switching self) -> bool"""
2207 return _IMP_isd.Switching_get_switching_is_optimized(self)
2209 def set_switching_is_optimized(self, val):
2210 r"""set_switching_is_optimized(Switching self, bool val)"""
2211 return _IMP_isd.Switching_set_switching_is_optimized(self, val)
2213 def add_attribute(self, *args):
2215 add_attribute(Switching self, FloatKey k, IMP::Float v, bool opt)
2216 add_attribute(Switching self, FloatKey a0, IMP::Float a1)
2217 add_attribute(Switching self, IntKey a0, IMP::Int a1)
2218 add_attribute(Switching self, FloatsKey a0, IMP::Floats a1)
2219 add_attribute(Switching self, IntsKey a0, IMP::Ints a1)
2220 add_attribute(Switching self, StringKey a0, IMP::String a1)
2221 add_attribute(Switching self, ParticleIndexKey a0, Particle a1)
2222 add_attribute(Switching self, ObjectKey a0, Object a1)
2223 add_attribute(Switching self, SparseFloatKey a0, IMP::Float a1)
2224 add_attribute(Switching self, SparseIntKey a0, IMP::Int a1)
2225 add_attribute(Switching self, SparseStringKey a0, IMP::String a1)
2226 add_attribute(Switching self, SparseParticleIndexKey a0, ParticleIndex a1)
2228 return _IMP_isd.Switching_add_attribute(self, *args)
2230 def get_value(self, *args):
2232 get_value(Switching self, FloatKey a0) -> IMP::Float
2233 get_value(Switching self, IntKey a0) -> IMP::Int
2234 get_value(Switching self, FloatsKey a0) -> IMP::Floats
2235 get_value(Switching self, IntsKey a0) -> IMP::Ints
2236 get_value(Switching self, StringKey a0) -> IMP::String
2237 get_value(Switching self, ParticleIndexKey a0) -> Particle
2238 get_value(Switching self, ObjectKey a0) -> Object
2239 get_value(Switching self, SparseFloatKey a0) -> IMP::Float
2240 get_value(Switching self, SparseIntKey a0) -> IMP::Int
2241 get_value(Switching self, SparseStringKey a0) -> IMP::String
2242 get_value(Switching self, SparseParticleIndexKey a0) -> ParticleIndex
2244 return _IMP_isd.Switching_get_value(self, *args)
2246 def set_value(self, *args):
2248 set_value(Switching self, FloatKey a0, IMP::Float a1)
2249 set_value(Switching self, IntKey a0, IMP::Int a1)
2250 set_value(Switching self, FloatsKey a0, IMP::Floats a1)
2251 set_value(Switching self, IntsKey a0, IMP::Ints a1)
2252 set_value(Switching self, StringKey a0, IMP::String a1)
2253 set_value(Switching self, ParticleIndexKey a0, Particle a1)
2254 set_value(Switching self, ObjectKey a0, Object a1)
2255 set_value(Switching self, SparseFloatKey a0, IMP::Float a1)
2256 set_value(Switching self, SparseIntKey a0, IMP::Int a1)
2257 set_value(Switching self, SparseStringKey a0, IMP::String a1)
2258 set_value(Switching self, SparseParticleIndexKey a0, ParticleIndex a1)
2260 return _IMP_isd.Switching_set_value(self, *args)
2262 def remove_attribute(self, *args):
2264 remove_attribute(Switching self, FloatKey a0)
2265 remove_attribute(Switching self, IntKey a0)
2266 remove_attribute(Switching self, FloatsKey a0)
2267 remove_attribute(Switching self, IntsKey a0)
2268 remove_attribute(Switching self, StringKey a0)
2269 remove_attribute(Switching self, ParticleIndexKey a0)
2270 remove_attribute(Switching self, ObjectKey a0)
2271 remove_attribute(Switching self, SparseFloatKey a0)
2272 remove_attribute(Switching self, SparseIntKey a0)
2273 remove_attribute(Switching self, SparseStringKey a0)
2274 remove_attribute(Switching self, SparseParticleIndexKey a0)
2276 return _IMP_isd.Switching_remove_attribute(self, *args)
2278 def has_attribute(self, *args):
2280 has_attribute(Switching self, FloatKey a0) -> bool
2281 has_attribute(Switching self, IntKey a0) -> bool
2282 has_attribute(Switching self, FloatsKey a0) -> bool
2283 has_attribute(Switching self, IntsKey a0) -> bool
2284 has_attribute(Switching self, StringKey a0) -> bool
2285 has_attribute(Switching self, ParticleIndexKey a0) -> bool
2286 has_attribute(Switching self, ObjectKey a0) -> bool
2287 has_attribute(Switching self, SparseFloatKey a0) -> bool
2288 has_attribute(Switching self, SparseIntKey a0) -> bool
2289 has_attribute(Switching self, SparseStringKey a0) -> bool
2290 has_attribute(Switching self, SparseParticleIndexKey a0) -> bool
2292 return _IMP_isd.Switching_has_attribute(self, *args)
2294 def get_derivative(self, a0):
2295 r"""get_derivative(Switching self, FloatKey a0) -> double"""
2296 return _IMP_isd.Switching_get_derivative(self, a0)
2299 r"""get_name(Switching self) -> std::string"""
2300 return _IMP_isd.Switching_get_name(self)
2303 r"""clear_caches(Switching self)"""
2304 return _IMP_isd.Switching_clear_caches(self)
2306 def set_name(self, a0):
2307 r"""set_name(Switching self, std::string a0)"""
2308 return _IMP_isd.Switching_set_name(self, a0)
2311 r"""set_check_level(Switching self, IMP::CheckLevel a0)"""
2312 return _IMP_isd.Switching_set_check_level(self, a0)
2314 def add_to_derivative(self, a0, a1, a2):
2315 r"""add_to_derivative(Switching self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2316 return _IMP_isd.Switching_add_to_derivative(self, a0, a1, a2)
2318 def set_is_optimized(self, a0, a1):
2319 r"""set_is_optimized(Switching self, FloatKey a0, bool a1)"""
2320 return _IMP_isd.Switching_set_is_optimized(self, a0, a1)
2322 def get_is_optimized(self, a0):
2323 r"""get_is_optimized(Switching self, FloatKey a0) -> bool"""
2324 return _IMP_isd.Switching_get_is_optimized(self, a0)
2326 def get_check_level(self):
2327 r"""get_check_level(Switching self) -> IMP::CheckLevel"""
2328 return _IMP_isd.Switching_get_check_level(self)
2330 def __eq__(self, *args):
2332 __eq__(Switching self, Switching o) -> bool
2333 __eq__(Switching self, Particle d) -> bool
2335 return _IMP_isd.Switching___eq__(self, *args)
2337 def __ne__(self, *args):
2339 __ne__(Switching self, Switching o) -> bool
2340 __ne__(Switching self, Particle d) -> bool
2342 return _IMP_isd.Switching___ne__(self, *args)
2344 def __le__(self, *args):
2346 __le__(Switching self, Switching o) -> bool
2347 __le__(Switching self, Particle d) -> bool
2349 return _IMP_isd.Switching___le__(self, *args)
2351 def __lt__(self, *args):
2353 __lt__(Switching self, Switching o) -> bool
2354 __lt__(Switching self, Particle d) -> bool
2356 return _IMP_isd.Switching___lt__(self, *args)
2358 def __ge__(self, *args):
2360 __ge__(Switching self, Switching o) -> bool
2361 __ge__(Switching self, Particle d) -> bool
2363 return _IMP_isd.Switching___ge__(self, *args)
2365 def __gt__(self, *args):
2367 __gt__(Switching self, Switching o) -> bool
2368 __gt__(Switching self, Particle d) -> bool
2370 return _IMP_isd.Switching___gt__(self, *args)
2373 r"""__hash__(Switching self) -> std::size_t"""
2374 return _IMP_isd.Switching___hash__(self)
2377 r"""__str__(Switching self) -> std::string"""
2378 return _IMP_isd.Switching___str__(self)
2381 r"""__repr__(Switching self) -> std::string"""
2382 return _IMP_isd.Switching___repr__(self)
2384 def _get_as_binary(self):
2385 r"""_get_as_binary(Switching self) -> PyObject *"""
2386 return _IMP_isd.Switching__get_as_binary(self)
2388 def _set_from_binary(self, p):
2389 r"""_set_from_binary(Switching self, PyObject * p)"""
2390 return _IMP_isd.Switching__set_from_binary(self, p)
2392 def __getstate__(self):
2393 p = self._get_as_binary()
2394 if len(self.__dict__) > 1:
2395 d = self.__dict__.copy()
2400 def __setstate__(self, p):
2401 if not hasattr(self,
'this'):
2403 if isinstance(p, tuple):
2405 self.__dict__.update(d)
2406 return self._set_from_binary(p)
2408 __swig_destroy__ = _IMP_isd.delete_Switching
2411 _IMP_isd.Switching_swigregister(Switching)
2413 r"""Proxy of C++ IMP::isd::Weight class."""
2415 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2417 def __init__(self, *args):
2419 __init__(Weight self) -> Weight
2420 __init__(Weight self, Model m, ParticleIndex id) -> Weight
2421 __init__(Weight self, _ParticleAdaptor d) -> Weight
2423 _IMP_isd.Weight_swiginit(self, _IMP_isd.new_Weight(*args))
2425 def show(self, *args):
2426 r"""show(Weight self, _ostream out=std::cout)"""
2427 return _IMP_isd.Weight_show(self, *args)
2430 def setup_particle(*args):
2432 setup_particle(Model m, ParticleIndex pi) -> Weight
2433 setup_particle(_ParticleAdaptor pa) -> Weight
2434 setup_particle(Model m, ParticleIndex pi, IMP::Int nweights) -> Weight
2435 setup_particle(_ParticleAdaptor pa, IMP::Int nweights) -> Weight
2436 setup_particle(Model m, ParticleIndex pi, VectorKD w) -> Weight
2437 setup_particle(_ParticleAdaptor pa, VectorKD w) -> Weight
2439 return _IMP_isd.Weight_setup_particle(*args)
2442 def get_number_of_weights_key():
2443 r"""get_number_of_weights_key() -> IntKey"""
2444 return _IMP_isd.Weight_get_number_of_weights_key()
2447 def get_weight_key(i):
2448 r"""get_weight_key(int i) -> FloatKey"""
2449 return _IMP_isd.Weight_get_weight_key(i)
2451 def get_weight_keys(self):
2452 r"""get_weight_keys(Weight self) -> IMP::FloatKeys"""
2453 return _IMP_isd.Weight_get_weight_keys(self)
2455 def get_weight(self, i):
2456 r"""get_weight(Weight self, int i) -> IMP::Float"""
2457 return _IMP_isd.Weight_get_weight(self, i)
2459 def get_weights(self):
2460 r"""get_weights(Weight self) -> VectorKD"""
2461 return _IMP_isd.Weight_get_weights(self)
2463 def set_weight_lazy(self, i, wi):
2464 r"""set_weight_lazy(Weight self, int i, IMP::Float wi)"""
2465 return _IMP_isd.Weight_set_weight_lazy(self, i, wi)
2467 def set_weights_lazy(self, w):
2468 r"""set_weights_lazy(Weight self, VectorKD w)"""
2469 return _IMP_isd.Weight_set_weights_lazy(self, w)
2471 def set_weights(self, w):
2472 r"""set_weights(Weight self, VectorKD w)"""
2473 return _IMP_isd.Weight_set_weights(self, w)
2475 def get_weights_are_optimized(self):
2476 r"""get_weights_are_optimized(Weight self) -> bool"""
2477 return _IMP_isd.Weight_get_weights_are_optimized(self)
2479 def set_weights_are_optimized(self, tf):
2480 r"""set_weights_are_optimized(Weight self, bool tf)"""
2481 return _IMP_isd.Weight_set_weights_are_optimized(self, tf)
2483 def get_weight_derivative(self, i):
2484 r"""get_weight_derivative(Weight self, int i) -> IMP::Float"""
2485 return _IMP_isd.Weight_get_weight_derivative(self, i)
2487 def get_weights_derivatives(self):
2488 r"""get_weights_derivatives(Weight self) -> VectorKD"""
2489 return _IMP_isd.Weight_get_weights_derivatives(self)
2491 def add_to_weight_derivative(self, i, dwi, da):
2492 r"""add_to_weight_derivative(Weight self, int i, IMP::Float dwi, DerivativeAccumulator da)"""
2493 return _IMP_isd.Weight_add_to_weight_derivative(self, i, dwi, da)
2495 def add_to_weights_derivatives(self, dw, da):
2496 r"""add_to_weights_derivatives(Weight self, VectorKD dw, DerivativeAccumulator da)"""
2497 return _IMP_isd.Weight_add_to_weights_derivatives(self, dw, da)
2499 def add_weight_lazy(self, wi=0):
2500 r"""add_weight_lazy(Weight self, IMP::Float wi=0)"""
2501 return _IMP_isd.Weight_add_weight_lazy(self, wi)
2503 def add_weight(self, wi=0):
2504 r"""add_weight(Weight self, IMP::Float wi=0)"""
2505 return _IMP_isd.Weight_add_weight(self, wi)
2507 def get_number_of_weights(self):
2508 r"""get_number_of_weights(Weight self) -> IMP::Int"""
2509 return _IMP_isd.Weight_get_number_of_weights(self)
2511 def get_unit_simplex(self):
2512 r"""get_unit_simplex(Weight self) -> UnitSimplexKD"""
2513 return _IMP_isd.Weight_get_unit_simplex(self)
2515 def set_number_of_weights_lazy(self, nweights):
2516 r"""set_number_of_weights_lazy(Weight self, IMP::Int nweights)"""
2517 return _IMP_isd.Weight_set_number_of_weights_lazy(self, nweights)
2519 def set_number_of_weights(self, nweights):
2520 r"""set_number_of_weights(Weight self, IMP::Int nweights)"""
2521 return _IMP_isd.Weight_set_number_of_weights(self, nweights)
2524 def get_is_setup(*args):
2526 get_is_setup(_ParticleAdaptor p) -> bool
2527 get_is_setup(Model m, ParticleIndex pi) -> bool
2529 return _IMP_isd.Weight_get_is_setup(*args)
2531 def add_attribute(self, *args):
2533 add_attribute(Weight self, FloatKey k, IMP::Float v, bool opt)
2534 add_attribute(Weight self, FloatKey a0, IMP::Float a1)
2535 add_attribute(Weight self, IntKey a0, IMP::Int a1)
2536 add_attribute(Weight self, FloatsKey a0, IMP::Floats a1)
2537 add_attribute(Weight self, IntsKey a0, IMP::Ints a1)
2538 add_attribute(Weight self, StringKey a0, IMP::String a1)
2539 add_attribute(Weight self, ParticleIndexKey a0, Particle a1)
2540 add_attribute(Weight self, ObjectKey a0, Object a1)
2541 add_attribute(Weight self, SparseFloatKey a0, IMP::Float a1)
2542 add_attribute(Weight self, SparseIntKey a0, IMP::Int a1)
2543 add_attribute(Weight self, SparseStringKey a0, IMP::String a1)
2544 add_attribute(Weight self, SparseParticleIndexKey a0, ParticleIndex a1)
2546 return _IMP_isd.Weight_add_attribute(self, *args)
2548 def get_value(self, *args):
2550 get_value(Weight self, FloatKey a0) -> IMP::Float
2551 get_value(Weight self, IntKey a0) -> IMP::Int
2552 get_value(Weight self, FloatsKey a0) -> IMP::Floats
2553 get_value(Weight self, IntsKey a0) -> IMP::Ints
2554 get_value(Weight self, StringKey a0) -> IMP::String
2555 get_value(Weight self, ParticleIndexKey a0) -> Particle
2556 get_value(Weight self, ObjectKey a0) -> Object
2557 get_value(Weight self, SparseFloatKey a0) -> IMP::Float
2558 get_value(Weight self, SparseIntKey a0) -> IMP::Int
2559 get_value(Weight self, SparseStringKey a0) -> IMP::String
2560 get_value(Weight self, SparseParticleIndexKey a0) -> ParticleIndex
2562 return _IMP_isd.Weight_get_value(self, *args)
2564 def set_value(self, *args):
2566 set_value(Weight self, FloatKey a0, IMP::Float a1)
2567 set_value(Weight self, IntKey a0, IMP::Int a1)
2568 set_value(Weight self, FloatsKey a0, IMP::Floats a1)
2569 set_value(Weight self, IntsKey a0, IMP::Ints a1)
2570 set_value(Weight self, StringKey a0, IMP::String a1)
2571 set_value(Weight self, ParticleIndexKey a0, Particle a1)
2572 set_value(Weight self, ObjectKey a0, Object a1)
2573 set_value(Weight self, SparseFloatKey a0, IMP::Float a1)
2574 set_value(Weight self, SparseIntKey a0, IMP::Int a1)
2575 set_value(Weight self, SparseStringKey a0, IMP::String a1)
2576 set_value(Weight self, SparseParticleIndexKey a0, ParticleIndex a1)
2578 return _IMP_isd.Weight_set_value(self, *args)
2580 def remove_attribute(self, *args):
2582 remove_attribute(Weight self, FloatKey a0)
2583 remove_attribute(Weight self, IntKey a0)
2584 remove_attribute(Weight self, FloatsKey a0)
2585 remove_attribute(Weight self, IntsKey a0)
2586 remove_attribute(Weight self, StringKey a0)
2587 remove_attribute(Weight self, ParticleIndexKey a0)
2588 remove_attribute(Weight self, ObjectKey a0)
2589 remove_attribute(Weight self, SparseFloatKey a0)
2590 remove_attribute(Weight self, SparseIntKey a0)
2591 remove_attribute(Weight self, SparseStringKey a0)
2592 remove_attribute(Weight self, SparseParticleIndexKey a0)
2594 return _IMP_isd.Weight_remove_attribute(self, *args)
2596 def has_attribute(self, *args):
2598 has_attribute(Weight self, FloatKey a0) -> bool
2599 has_attribute(Weight self, IntKey a0) -> bool
2600 has_attribute(Weight self, FloatsKey a0) -> bool
2601 has_attribute(Weight self, IntsKey a0) -> bool
2602 has_attribute(Weight self, StringKey a0) -> bool
2603 has_attribute(Weight self, ParticleIndexKey a0) -> bool
2604 has_attribute(Weight self, ObjectKey a0) -> bool
2605 has_attribute(Weight self, SparseFloatKey a0) -> bool
2606 has_attribute(Weight self, SparseIntKey a0) -> bool
2607 has_attribute(Weight self, SparseStringKey a0) -> bool
2608 has_attribute(Weight self, SparseParticleIndexKey a0) -> bool
2610 return _IMP_isd.Weight_has_attribute(self, *args)
2612 def get_derivative(self, a0):
2613 r"""get_derivative(Weight self, FloatKey a0) -> double"""
2614 return _IMP_isd.Weight_get_derivative(self, a0)
2617 r"""get_name(Weight self) -> std::string"""
2618 return _IMP_isd.Weight_get_name(self)
2621 r"""clear_caches(Weight self)"""
2622 return _IMP_isd.Weight_clear_caches(self)
2624 def set_name(self, a0):
2625 r"""set_name(Weight self, std::string a0)"""
2626 return _IMP_isd.Weight_set_name(self, a0)
2629 r"""set_check_level(Weight self, IMP::CheckLevel a0)"""
2630 return _IMP_isd.Weight_set_check_level(self, a0)
2632 def add_to_derivative(self, a0, a1, a2):
2633 r"""add_to_derivative(Weight self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2634 return _IMP_isd.Weight_add_to_derivative(self, a0, a1, a2)
2636 def set_is_optimized(self, a0, a1):
2637 r"""set_is_optimized(Weight self, FloatKey a0, bool a1)"""
2638 return _IMP_isd.Weight_set_is_optimized(self, a0, a1)
2640 def get_is_optimized(self, a0):
2641 r"""get_is_optimized(Weight self, FloatKey a0) -> bool"""
2642 return _IMP_isd.Weight_get_is_optimized(self, a0)
2644 def get_check_level(self):
2645 r"""get_check_level(Weight self) -> IMP::CheckLevel"""
2646 return _IMP_isd.Weight_get_check_level(self)
2648 def __eq__(self, *args):
2650 __eq__(Weight self, Weight o) -> bool
2651 __eq__(Weight self, Particle d) -> bool
2653 return _IMP_isd.Weight___eq__(self, *args)
2655 def __ne__(self, *args):
2657 __ne__(Weight self, Weight o) -> bool
2658 __ne__(Weight self, Particle d) -> bool
2660 return _IMP_isd.Weight___ne__(self, *args)
2662 def __le__(self, *args):
2664 __le__(Weight self, Weight o) -> bool
2665 __le__(Weight self, Particle d) -> bool
2667 return _IMP_isd.Weight___le__(self, *args)
2669 def __lt__(self, *args):
2671 __lt__(Weight self, Weight o) -> bool
2672 __lt__(Weight self, Particle d) -> bool
2674 return _IMP_isd.Weight___lt__(self, *args)
2676 def __ge__(self, *args):
2678 __ge__(Weight self, Weight o) -> bool
2679 __ge__(Weight self, Particle d) -> bool
2681 return _IMP_isd.Weight___ge__(self, *args)
2683 def __gt__(self, *args):
2685 __gt__(Weight self, Weight o) -> bool
2686 __gt__(Weight self, Particle d) -> bool
2688 return _IMP_isd.Weight___gt__(self, *args)
2691 r"""__hash__(Weight self) -> std::size_t"""
2692 return _IMP_isd.Weight___hash__(self)
2695 r"""__str__(Weight self) -> std::string"""
2696 return _IMP_isd.Weight___str__(self)
2699 r"""__repr__(Weight self) -> std::string"""
2700 return _IMP_isd.Weight___repr__(self)
2702 def _get_as_binary(self):
2703 r"""_get_as_binary(Weight self) -> PyObject *"""
2704 return _IMP_isd.Weight__get_as_binary(self)
2706 def _set_from_binary(self, p):
2707 r"""_set_from_binary(Weight self, PyObject * p)"""
2708 return _IMP_isd.Weight__set_from_binary(self, p)
2710 def __getstate__(self):
2711 p = self._get_as_binary()
2712 if len(self.__dict__) > 1:
2713 d = self.__dict__.copy()
2718 def __setstate__(self, p):
2719 if not hasattr(self,
'this'):
2721 if isinstance(p, tuple):
2723 self.__dict__.update(d)
2724 return self._set_from_binary(p)
2726 __swig_destroy__ = _IMP_isd.delete_Weight
2729 _IMP_isd.Weight_swigregister(Weight)
2730 cvar = _IMP_isd.cvar
2731 IMPISD_MAX_WEIGHTS = cvar.IMPISD_MAX_WEIGHTS
2734 def __lshift__(*args):
2736 __lshift__(_ostream out, Nuisance n) -> _ostream
2737 __lshift__(_ostream out, Scale n) -> _ostream
2738 __lshift__(_ostream out, Switching n) -> _ostream
2739 __lshift__(_ostream out, Weight n) -> _ostream
2741 return _IMP_isd.__lshift__(*args)
2743 r"""Proxy of C++ IMP::isd::JeffreysRestraint class."""
2745 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2747 def __init__(self, *args):
2749 __init__(JeffreysRestraint self, Model m, Particle p) -> JeffreysRestraint
2750 __init__(JeffreysRestraint self) -> JeffreysRestraint
2752 _IMP_isd.JeffreysRestraint_swiginit(self, _IMP_isd.new_JeffreysRestraint(*args))
2755 r"""do_get_inputs(JeffreysRestraint self) -> IMP::ModelObjectsTemp"""
2756 return _IMP_isd.JeffreysRestraint_do_get_inputs(self)
2759 r"""get_version_info(JeffreysRestraint self) -> VersionInfo"""
2760 return _IMP_isd.JeffreysRestraint_get_version_info(self)
2761 __swig_destroy__ = _IMP_isd.delete_JeffreysRestraint
2764 r"""get_index(JeffreysRestraint self) -> ParticleIndex"""
2765 return _IMP_isd.JeffreysRestraint_get_index(self)
2767 def get_probability(self):
2768 r"""get_probability(JeffreysRestraint self) -> double"""
2769 return _IMP_isd.JeffreysRestraint_get_probability(self)
2772 r"""__str__(JeffreysRestraint self) -> std::string"""
2773 return _IMP_isd.JeffreysRestraint___str__(self)
2776 r"""__repr__(JeffreysRestraint self) -> std::string"""
2777 return _IMP_isd.JeffreysRestraint___repr__(self)
2781 return _object_cast_to_JeffreysRestraint(o)
2784 def _get_as_binary(self):
2785 r"""_get_as_binary(JeffreysRestraint self) -> PyObject *"""
2786 return _IMP_isd.JeffreysRestraint__get_as_binary(self)
2788 def _set_from_binary(self, p):
2789 r"""_set_from_binary(JeffreysRestraint self, PyObject * p)"""
2790 return _IMP_isd.JeffreysRestraint__set_from_binary(self, p)
2792 def __getstate__(self):
2793 p = self._get_as_binary()
2794 if len(self.__dict__) > 1:
2795 d = self.__dict__.copy()
2800 def __setstate__(self, p):
2801 if not hasattr(self,
'this'):
2803 if isinstance(p, tuple):
2805 self.__dict__.update(d)
2806 return self._set_from_binary(p)
2809 def _get_jax(self, space):
2810 import jax.numpy
as jnp
2811 indexes = jnp.array([self.get_index()])
2813 nuisance = jm[
'nuisance'][indexes]
2814 return jnp.sum(jnp.log(nuisance))
2815 return self._wrap_jax(score, keys=[Scale.get_scale_key()])
2819 _IMP_isd.JeffreysRestraint_swigregister(JeffreysRestraint)
2821 r"""Proxy of C++ IMP::isd::NormalSigmaPCRestraint class."""
2823 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2825 def __init__(self, *args):
2827 __init__(NormalSigmaPCRestraint self, Model m, ParticleIndex spi, double su, double alpha, std::string name="NormalSigmaPCRestraint%1%") -> NormalSigmaPCRestraint
2828 __init__(NormalSigmaPCRestraint self, Scale s, double su, double alpha, std::string name="NormalSigmaPCRestraint%1%") -> NormalSigmaPCRestraint
2830 _IMP_isd.NormalSigmaPCRestraint_swiginit(self, _IMP_isd.new_NormalSigmaPCRestraint(*args))
2832 def get_sigma(self):
2833 r"""get_sigma(NormalSigmaPCRestraint self) -> Scale"""
2834 return _IMP_isd.NormalSigmaPCRestraint_get_sigma(self)
2836 def get_alpha(self):
2837 r"""get_alpha(NormalSigmaPCRestraint self) -> double"""
2838 return _IMP_isd.NormalSigmaPCRestraint_get_alpha(self)
2840 def get_sigma_upper(self):
2841 r"""get_sigma_upper(NormalSigmaPCRestraint self) -> double"""
2842 return _IMP_isd.NormalSigmaPCRestraint_get_sigma_upper(self)
2844 def get_probability(self):
2845 r"""get_probability(NormalSigmaPCRestraint self) -> double"""
2846 return _IMP_isd.NormalSigmaPCRestraint_get_probability(self)
2849 r"""do_get_inputs(NormalSigmaPCRestraint self) -> IMP::ModelObjectsTemp"""
2850 return _IMP_isd.NormalSigmaPCRestraint_do_get_inputs(self)
2853 r"""get_version_info(NormalSigmaPCRestraint self) -> VersionInfo"""
2854 return _IMP_isd.NormalSigmaPCRestraint_get_version_info(self)
2855 __swig_destroy__ = _IMP_isd.delete_NormalSigmaPCRestraint
2858 r"""__str__(NormalSigmaPCRestraint self) -> std::string"""
2859 return _IMP_isd.NormalSigmaPCRestraint___str__(self)
2862 r"""__repr__(NormalSigmaPCRestraint self) -> std::string"""
2863 return _IMP_isd.NormalSigmaPCRestraint___repr__(self)
2867 return _object_cast_to_NormalSigmaPCRestraint(o)
2871 _IMP_isd.NormalSigmaPCRestraint_swigregister(NormalSigmaPCRestraint)
2873 r"""Proxy of C++ IMP::isd::Distribution class."""
2875 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2877 def __init__(self, *args):
2878 r"""__init__(Distribution self, std::string name="Distribution %1%") -> Distribution"""
2879 if self.__class__ == Distribution:
2883 _IMP_isd.Distribution_swiginit(self, _IMP_isd.new_Distribution(_self, *args))
2885 if self.__class__ != Distribution:
2886 _director_objects.register(self)
2891 def get_type_name(self):
2892 r"""get_type_name(Distribution self) -> std::string"""
2893 return _IMP_isd.Distribution_get_type_name(self)
2896 r"""get_version_info(Distribution self) -> VersionInfo"""
2897 return _IMP_isd.Distribution_get_version_info(self)
2898 __swig_destroy__ = _IMP_isd.delete_Distribution
2901 r"""__str__(Distribution self) -> std::string"""
2902 return _IMP_isd.Distribution___str__(self)
2905 r"""__repr__(Distribution self) -> std::string"""
2906 return _IMP_isd.Distribution___repr__(self)
2910 return _object_cast_to_Distribution(o)
2913 def do_show(self, out):
2918 return _object_cast_to_Distribution(o)
2920 def __disown__(self):
2922 _IMP_isd.disown_Distribution(self)
2923 return weakref.proxy(self)
2926 r"""do_destroy(Distribution self)"""
2927 return _IMP_isd.Distribution_do_destroy(self)
2930 _IMP_isd.Distribution_swigregister(Distribution)
2931 class OneDimensionalDistribution(Distribution):
2932 r"""Proxy of C++ IMP::isd::OneDimensionalDistribution class."""
2934 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2936 def do_evaluate(self, *args):
2938 do_evaluate(OneDimensionalDistribution self, double v) -> double
2939 do_evaluate(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2941 return _IMP_isd.OneDimensionalDistribution_do_evaluate(self, *args)
2943 def do_get_density(self, *args):
2945 do_get_density(OneDimensionalDistribution self, double v) -> double
2946 do_get_density(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2948 return _IMP_isd.OneDimensionalDistribution_do_get_density(self, *args)
2950 def __init__(self, *args):
2951 r"""__init__(OneDimensionalDistribution self, std::string name="OneDimensionalDistribution %1%") -> OneDimensionalDistribution"""
2952 if self.__class__ == OneDimensionalDistribution:
2956 _IMP_isd.OneDimensionalDistribution_swiginit(self, _IMP_isd.new_OneDimensionalDistribution(_self, *args))
2958 if self.__class__ != OneDimensionalDistribution:
2959 _director_objects.register(self)
2964 def evaluate(self, *args):
2966 evaluate(OneDimensionalDistribution self, double v) -> double
2967 evaluate(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2969 return _IMP_isd.OneDimensionalDistribution_evaluate(self, *args)
2971 def get_density(self, *args):
2973 get_density(OneDimensionalDistribution self, double v) -> double
2974 get_density(OneDimensionalDistribution self, IMP::Floats const & vs) -> IMP::Floats
2976 return _IMP_isd.OneDimensionalDistribution_get_density(self, *args)
2978 def get_type_name(self):
2979 r"""get_type_name(OneDimensionalDistribution self) -> std::string"""
2980 return _IMP_isd.OneDimensionalDistribution_get_type_name(self)
2983 r"""get_version_info(OneDimensionalDistribution self) -> VersionInfo"""
2984 return _IMP_isd.OneDimensionalDistribution_get_version_info(self)
2985 __swig_destroy__ = _IMP_isd.delete_OneDimensionalDistribution
2988 r"""__str__(OneDimensionalDistribution self) -> std::string"""
2989 return _IMP_isd.OneDimensionalDistribution___str__(self)
2992 r"""__repr__(OneDimensionalDistribution self) -> std::string"""
2993 return _IMP_isd.OneDimensionalDistribution___repr__(self)
2997 return _object_cast_to_OneDimensionalDistribution(o)
3000 def do_show(self, out):
3005 return _object_cast_to_OneDimensionalDistribution(o)
3007 def __disown__(self):
3009 _IMP_isd.disown_OneDimensionalDistribution(self)
3010 return weakref.proxy(self)
3013 r"""do_destroy(OneDimensionalDistribution self)"""
3014 return _IMP_isd.OneDimensionalDistribution_do_destroy(self)
3017 _IMP_isd.OneDimensionalDistribution_swigregister(OneDimensionalDistribution)
3018 class OneDimensionalSufficientDistribution(Distribution):
3019 r"""Proxy of C++ IMP::isd::OneDimensionalSufficientDistribution class."""
3021 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3023 def do_update_sufficient_statistics(self, vs):
3024 r"""do_update_sufficient_statistics(OneDimensionalSufficientDistribution self, IMP::Floats vs)"""
3025 return _IMP_isd.OneDimensionalSufficientDistribution_do_update_sufficient_statistics(self, vs)
3027 def do_get_sufficient_statistics(self):
3028 r"""do_get_sufficient_statistics(OneDimensionalSufficientDistribution self) -> IMP::Floats"""
3029 return _IMP_isd.OneDimensionalSufficientDistribution_do_get_sufficient_statistics(self)
3031 def do_evaluate(self):
3032 r"""do_evaluate(OneDimensionalSufficientDistribution self) -> double"""
3033 return _IMP_isd.OneDimensionalSufficientDistribution_do_evaluate(self)
3035 def do_get_density(self):
3036 r"""do_get_density(OneDimensionalSufficientDistribution self) -> double"""
3037 return _IMP_isd.OneDimensionalSufficientDistribution_do_get_density(self)
3039 def __init__(self, *args):
3040 r"""__init__(OneDimensionalSufficientDistribution self, std::string name="OneDimensionalSufficientDistribution %1%") -> OneDimensionalSufficientDistribution"""
3041 if self.__class__ == OneDimensionalSufficientDistribution:
3045 _IMP_isd.OneDimensionalSufficientDistribution_swiginit(self, _IMP_isd.new_OneDimensionalSufficientDistribution(_self, *args))
3047 if self.__class__ != OneDimensionalSufficientDistribution:
3048 _director_objects.register(self)
3053 def update_sufficient_statistics(self, vs):
3054 r"""update_sufficient_statistics(OneDimensionalSufficientDistribution self, IMP::Floats vs)"""
3055 return _IMP_isd.OneDimensionalSufficientDistribution_update_sufficient_statistics(self, vs)
3057 def get_sufficient_statistics(self):
3058 r"""get_sufficient_statistics(OneDimensionalSufficientDistribution self) -> IMP::Floats"""
3059 return _IMP_isd.OneDimensionalSufficientDistribution_get_sufficient_statistics(self)
3062 r"""evaluate(OneDimensionalSufficientDistribution self) -> double"""
3063 return _IMP_isd.OneDimensionalSufficientDistribution_evaluate(self)
3065 def get_density(self):
3066 r"""get_density(OneDimensionalSufficientDistribution self) -> double"""
3067 return _IMP_isd.OneDimensionalSufficientDistribution_get_density(self)
3069 def get_type_name(self):
3070 r"""get_type_name(OneDimensionalSufficientDistribution self) -> std::string"""
3071 return _IMP_isd.OneDimensionalSufficientDistribution_get_type_name(self)
3074 r"""get_version_info(OneDimensionalSufficientDistribution self) -> VersionInfo"""
3075 return _IMP_isd.OneDimensionalSufficientDistribution_get_version_info(self)
3076 __swig_destroy__ = _IMP_isd.delete_OneDimensionalSufficientDistribution
3079 r"""__str__(OneDimensionalSufficientDistribution self) -> std::string"""
3080 return _IMP_isd.OneDimensionalSufficientDistribution___str__(self)
3083 r"""__repr__(OneDimensionalSufficientDistribution self) -> std::string"""
3084 return _IMP_isd.OneDimensionalSufficientDistribution___repr__(self)
3088 return _object_cast_to_OneDimensionalSufficientDistribution(o)
3091 def do_show(self, out):
3096 return _object_cast_to_OneDimensionalSufficientDistribution(o)
3098 def __disown__(self):
3100 _IMP_isd.disown_OneDimensionalSufficientDistribution(self)
3101 return weakref.proxy(self)
3104 r"""do_destroy(OneDimensionalSufficientDistribution self)"""
3105 return _IMP_isd.OneDimensionalSufficientDistribution_do_destroy(self)
3108 _IMP_isd.OneDimensionalSufficientDistribution_swigregister(OneDimensionalSufficientDistribution)
3109 class FNormal(OneDimensionalSufficientDistribution):
3110 r"""Proxy of C++ IMP::isd::FNormal class."""
3112 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3114 def __init__(self, FA, JA, FM, sigma):
3115 r"""__init__(FNormal self, double FA, double JA, double FM, double sigma) -> FNormal"""
3116 _IMP_isd.FNormal_swiginit(self, _IMP_isd.new_FNormal(FA, JA, FM, sigma))
3118 def update_sufficient_statistics(self, FA):
3119 r"""update_sufficient_statistics(FNormal self, double FA)"""
3120 return _IMP_isd.FNormal_update_sufficient_statistics(self, FA)
3122 def do_update_sufficient_statistics(self, data):
3123 r"""do_update_sufficient_statistics(FNormal self, IMP::Floats data)"""
3124 return _IMP_isd.FNormal_do_update_sufficient_statistics(self, data)
3126 def do_get_sufficient_statistics(self):
3127 r"""do_get_sufficient_statistics(FNormal self) -> IMP::Floats"""
3128 return _IMP_isd.FNormal_do_get_sufficient_statistics(self)
3130 def do_evaluate(self):
3131 r"""do_evaluate(FNormal self) -> double"""
3132 return _IMP_isd.FNormal_do_evaluate(self)
3134 def evaluate_derivative_FA(self):
3135 r"""evaluate_derivative_FA(FNormal self) -> double"""
3136 return _IMP_isd.FNormal_evaluate_derivative_FA(self)
3138 def evaluate_derivative_JA(self):
3139 r"""evaluate_derivative_JA(FNormal self) -> double"""
3140 return _IMP_isd.FNormal_evaluate_derivative_JA(self)
3142 def evaluate_derivative_FM(self):
3143 r"""evaluate_derivative_FM(FNormal self) -> double"""
3144 return _IMP_isd.FNormal_evaluate_derivative_FM(self)
3146 def evaluate_derivative_sigma(self):
3147 r"""evaluate_derivative_sigma(FNormal self) -> double"""
3148 return _IMP_isd.FNormal_evaluate_derivative_sigma(self)
3150 def do_get_density(self):
3151 r"""do_get_density(FNormal self) -> double"""
3152 return _IMP_isd.FNormal_do_get_density(self)
3154 def set_FA(self, f):
3155 r"""set_FA(FNormal self, double f)"""
3156 return _IMP_isd.FNormal_set_FA(self, f)
3158 def set_JA(self, f):
3159 r"""set_JA(FNormal self, double f)"""
3160 return _IMP_isd.FNormal_set_JA(self, f)
3162 def set_FM(self, f):
3163 r"""set_FM(FNormal self, double f)"""
3164 return _IMP_isd.FNormal_set_FM(self, f)
3166 def set_sigma(self, f):
3167 r"""set_sigma(FNormal self, double f)"""
3168 return _IMP_isd.FNormal_set_sigma(self, f)
3169 __swig_destroy__ = _IMP_isd.delete_FNormal
3172 r"""__str__(FNormal self) -> std::string"""
3173 return _IMP_isd.FNormal___str__(self)
3176 r"""__repr__(FNormal self) -> std::string"""
3177 return _IMP_isd.FNormal___repr__(self)
3181 return _object_cast_to_FNormal(o)
3185 _IMP_isd.FNormal_swigregister(FNormal)
3186 class FStudentT(OneDimensionalSufficientDistribution):
3187 r"""Proxy of C++ IMP::isd::FStudentT class."""
3189 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3191 def __init__(self, *args):
3193 __init__(FStudentT self, IMP::Floats FXs, IMP::Floats JXs, double FM, double sigma, double nu, std::string name="FStudentT %1%") -> FStudentT
3194 __init__(FStudentT self, double sumFX, double sumFX2, unsigned int N, double LogJX, double FM, double sigma, double nu, std::string name="FStudentT %1%") -> FStudentT
3196 _IMP_isd.FStudentT_swiginit(self, _IMP_isd.new_FStudentT(*args))
3198 def update_sufficient_statistics(self, FXs, JXs):
3199 r"""update_sufficient_statistics(FStudentT self, IMP::Floats FXs, IMP::Floats JXs)"""
3200 return _IMP_isd.FStudentT_update_sufficient_statistics(self, FXs, JXs)
3202 def evaluate_derivative_Fx(self, Fx):
3203 r"""evaluate_derivative_Fx(FStudentT self, double Fx) -> double"""
3204 return _IMP_isd.FStudentT_evaluate_derivative_Fx(self, Fx)
3206 def evaluate_derivative_FX(self, FXs):
3207 r"""evaluate_derivative_FX(FStudentT self, IMP::Floats const FXs) -> IMP::Floats"""
3208 return _IMP_isd.FStudentT_evaluate_derivative_FX(self, FXs)
3210 def evaluate_derivative_LogJX(self):
3211 r"""evaluate_derivative_LogJX(FStudentT self) -> double"""
3212 return _IMP_isd.FStudentT_evaluate_derivative_LogJX(self)
3214 def evaluate_derivative_FM(self):
3215 r"""evaluate_derivative_FM(FStudentT self) -> double"""
3216 return _IMP_isd.FStudentT_evaluate_derivative_FM(self)
3218 def evaluate_derivative_sigma(self):
3219 r"""evaluate_derivative_sigma(FStudentT self) -> double"""
3220 return _IMP_isd.FStudentT_evaluate_derivative_sigma(self)
3222 def evaluate_derivative_nu(self):
3223 r"""evaluate_derivative_nu(FStudentT self) -> double"""
3224 return _IMP_isd.FStudentT_evaluate_derivative_nu(self)
3226 def update_cached_values(self):
3227 r"""update_cached_values(FStudentT self)"""
3228 return _IMP_isd.FStudentT_update_cached_values(self)
3230 def set_sumFX(self, v):
3231 r"""set_sumFX(FStudentT self, double v)"""
3232 return _IMP_isd.FStudentT_set_sumFX(self, v)
3234 def set_sumFX2(self, v):
3235 r"""set_sumFX2(FStudentT self, double v)"""
3236 return _IMP_isd.FStudentT_set_sumFX2(self, v)
3239 r"""set_N(FStudentT self, unsigned int v)"""
3240 return _IMP_isd.FStudentT_set_N(self, v)
3242 def set_LogJX(self, v):
3243 r"""set_LogJX(FStudentT self, double v)"""
3244 return _IMP_isd.FStudentT_set_LogJX(self, v)
3246 def set_FM(self, v):
3247 r"""set_FM(FStudentT self, double v)"""
3248 return _IMP_isd.FStudentT_set_FM(self, v)
3250 def set_sigma(self, v):
3251 r"""set_sigma(FStudentT self, double v)"""
3252 return _IMP_isd.FStudentT_set_sigma(self, v)
3254 def set_nu(self, v):
3255 r"""set_nu(FStudentT self, double v)"""
3256 return _IMP_isd.FStudentT_set_nu(self, v)
3258 def get_sumFX(self):
3259 r"""get_sumFX(FStudentT self) -> double"""
3260 return _IMP_isd.FStudentT_get_sumFX(self)
3262 def get_sumFX2(self):
3263 r"""get_sumFX2(FStudentT self) -> double"""
3264 return _IMP_isd.FStudentT_get_sumFX2(self)
3267 r"""get_N(FStudentT self) -> unsigned int"""
3268 return _IMP_isd.FStudentT_get_N(self)
3270 def get_LogJX(self):
3271 r"""get_LogJX(FStudentT self) -> double"""
3272 return _IMP_isd.FStudentT_get_LogJX(self)
3275 r"""get_FM(FStudentT self) -> double"""
3276 return _IMP_isd.FStudentT_get_FM(self)
3278 def get_sigma(self):
3279 r"""get_sigma(FStudentT self) -> double"""
3280 return _IMP_isd.FStudentT_get_sigma(self)
3283 r"""get_nu(FStudentT self) -> double"""
3284 return _IMP_isd.FStudentT_get_nu(self)
3285 __swig_destroy__ = _IMP_isd.delete_FStudentT
3288 r"""__str__(FStudentT self) -> std::string"""
3289 return _IMP_isd.FStudentT___str__(self)
3292 r"""__repr__(FStudentT self) -> std::string"""
3293 return _IMP_isd.FStudentT___repr__(self)
3297 return _object_cast_to_FStudentT(o)
3301 _IMP_isd.FStudentT_swigregister(FStudentT)
3303 r"""Proxy of C++ IMP::isd::vonMises class."""
3305 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3307 def __init__(self, x, mu, kappa):
3308 r"""__init__(vonMises self, double x, double mu, double kappa) -> vonMises"""
3309 _IMP_isd.vonMises_swiginit(self, _IMP_isd.new_vonMises(x, mu, kappa))
3312 r"""evaluate(vonMises self) -> double"""
3313 return _IMP_isd.vonMises_evaluate(self)
3315 def evaluate_derivative_x(self):
3316 r"""evaluate_derivative_x(vonMises self) -> double"""
3317 return _IMP_isd.vonMises_evaluate_derivative_x(self)
3319 def evaluate_derivative_mu(self):
3320 r"""evaluate_derivative_mu(vonMises self) -> double"""
3321 return _IMP_isd.vonMises_evaluate_derivative_mu(self)
3323 def evaluate_derivative_kappa(self):
3324 r"""evaluate_derivative_kappa(vonMises self) -> double"""
3325 return _IMP_isd.vonMises_evaluate_derivative_kappa(self)
3328 r"""density(vonMises self) -> double"""
3329 return _IMP_isd.vonMises_density(self)
3332 r"""set_x(vonMises self, double x)"""
3333 return _IMP_isd.vonMises_set_x(self, x)
3335 def set_mu(self, mu):
3336 r"""set_mu(vonMises self, double mu)"""
3337 return _IMP_isd.vonMises_set_mu(self, mu)
3339 def set_kappa(self, kappa):
3340 r"""set_kappa(vonMises self, double kappa)"""
3341 return _IMP_isd.vonMises_set_kappa(self, kappa)
3344 r"""get_version_info(vonMises self) -> VersionInfo"""
3345 return _IMP_isd.vonMises_get_version_info(self)
3346 __swig_destroy__ = _IMP_isd.delete_vonMises
3349 r"""__str__(vonMises self) -> std::string"""
3350 return _IMP_isd.vonMises___str__(self)
3353 r"""__repr__(vonMises self) -> std::string"""
3354 return _IMP_isd.vonMises___repr__(self)
3358 return _object_cast_to_vonMises(o)
3362 _IMP_isd.vonMises_swigregister(vonMises)
3364 r"""Proxy of C++ IMP::isd::vonMisesSufficient class."""
3366 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3368 def __init__(self, *args):
3370 __init__(vonMisesSufficient self, double chi, unsigned int N, double R0, double chiexp, double kappa) -> vonMisesSufficient
3371 __init__(vonMisesSufficient self, double chi, IMP::Floats obs, double kappa) -> vonMisesSufficient
3373 _IMP_isd.vonMisesSufficient_swiginit(self, _IMP_isd.new_vonMisesSufficient(*args))
3376 r"""evaluate(vonMisesSufficient self) -> double"""
3377 return _IMP_isd.vonMisesSufficient_evaluate(self)
3379 def evaluate_derivative_x(self):
3380 r"""evaluate_derivative_x(vonMisesSufficient self) -> double"""
3381 return _IMP_isd.vonMisesSufficient_evaluate_derivative_x(self)
3383 def evaluate_derivative_kappa(self):
3384 r"""evaluate_derivative_kappa(vonMisesSufficient self) -> double"""
3385 return _IMP_isd.vonMisesSufficient_evaluate_derivative_kappa(self)
3388 r"""density(vonMisesSufficient self) -> double"""
3389 return _IMP_isd.vonMisesSufficient_density(self)
3392 r"""get_x(vonMisesSufficient self) -> double"""
3393 return _IMP_isd.vonMisesSufficient_get_x(self)
3396 r"""get_R0(vonMisesSufficient self) -> double"""
3397 return _IMP_isd.vonMisesSufficient_get_R0(self)
3399 def get_chiexp(self):
3400 r"""get_chiexp(vonMisesSufficient self) -> double"""
3401 return _IMP_isd.vonMisesSufficient_get_chiexp(self)
3404 r"""get_N(vonMisesSufficient self) -> double"""
3405 return _IMP_isd.vonMisesSufficient_get_N(self)
3407 def get_kappa(self):
3408 r"""get_kappa(vonMisesSufficient self) -> double"""
3409 return _IMP_isd.vonMisesSufficient_get_kappa(self)
3412 r"""set_x(vonMisesSufficient self, double x)"""
3413 return _IMP_isd.vonMisesSufficient_set_x(self, x)
3415 def set_R0(self, R0):
3416 r"""set_R0(vonMisesSufficient self, double R0)"""
3417 return _IMP_isd.vonMisesSufficient_set_R0(self, R0)
3419 def set_chiexp(self, chiexp):
3420 r"""set_chiexp(vonMisesSufficient self, double chiexp)"""
3421 return _IMP_isd.vonMisesSufficient_set_chiexp(self, chiexp)
3424 r"""set_N(vonMisesSufficient self, unsigned int N)"""
3425 return _IMP_isd.vonMisesSufficient_set_N(self, N)
3427 def set_kappa(self, kappa):
3428 r"""set_kappa(vonMisesSufficient self, double kappa)"""
3429 return _IMP_isd.vonMisesSufficient_set_kappa(self, kappa)
3432 def get_sufficient_statistics(data):
3433 r"""get_sufficient_statistics(IMP::Floats data) -> IMP::Floats"""
3434 return _IMP_isd.vonMisesSufficient_get_sufficient_statistics(data)
3437 r"""get_version_info(vonMisesSufficient self) -> VersionInfo"""
3438 return _IMP_isd.vonMisesSufficient_get_version_info(self)
3439 __swig_destroy__ = _IMP_isd.delete_vonMisesSufficient
3442 r"""__str__(vonMisesSufficient self) -> std::string"""
3443 return _IMP_isd.vonMisesSufficient___str__(self)
3446 r"""__repr__(vonMisesSufficient self) -> std::string"""
3447 return _IMP_isd.vonMisesSufficient___repr__(self)
3451 return _object_cast_to_vonMisesSufficient(o)
3455 _IMP_isd.vonMisesSufficient_swigregister(vonMisesSufficient)
3456 class PenalizedComplexityPrior(OneDimensionalSufficientDistribution):
3457 r"""Proxy of C++ IMP::isd::PenalizedComplexityPrior class."""
3459 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3461 def __init__(self, *args):
3462 r"""__init__(PenalizedComplexityPrior self, double Dxi, double Jxi, double alpha, std::string name="PenalizedComplexityPrior %1%") -> PenalizedComplexityPrior"""
3463 _IMP_isd.PenalizedComplexityPrior_swiginit(self, _IMP_isd.new_PenalizedComplexityPrior(*args))
3465 def update_sufficient_statistics(self, Dxis, Jxis):
3466 r"""update_sufficient_statistics(PenalizedComplexityPrior self, IMP::Floats Dxis, IMP::Floats Jxis)"""
3467 return _IMP_isd.PenalizedComplexityPrior_update_sufficient_statistics(self, Dxis, Jxis)
3469 def evaluate_derivative_Dxi(self):
3470 r"""evaluate_derivative_Dxi(PenalizedComplexityPrior self) -> double"""
3471 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_Dxi(self)
3473 def evaluate_derivative_Jxi(self):
3474 r"""evaluate_derivative_Jxi(PenalizedComplexityPrior self) -> double"""
3475 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_Jxi(self)
3477 def evaluate_derivative_alpha(self):
3478 r"""evaluate_derivative_alpha(PenalizedComplexityPrior self) -> double"""
3479 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_alpha(self)
3481 def evaluate_derivative_xi(self, JJxi):
3482 r"""evaluate_derivative_xi(PenalizedComplexityPrior self, double JJxi) -> double"""
3483 return _IMP_isd.PenalizedComplexityPrior_evaluate_derivative_xi(self, JJxi)
3485 def set_Dxi(self, v):
3486 r"""set_Dxi(PenalizedComplexityPrior self, double v)"""
3487 return _IMP_isd.PenalizedComplexityPrior_set_Dxi(self, v)
3489 def set_Jxi(self, v):
3490 r"""set_Jxi(PenalizedComplexityPrior self, double v)"""
3491 return _IMP_isd.PenalizedComplexityPrior_set_Jxi(self, v)
3493 def set_alpha(self, v):
3494 r"""set_alpha(PenalizedComplexityPrior self, double v)"""
3495 return _IMP_isd.PenalizedComplexityPrior_set_alpha(self, v)
3498 r"""get_Dxi(PenalizedComplexityPrior self) -> double"""
3499 return _IMP_isd.PenalizedComplexityPrior_get_Dxi(self)
3502 r"""get_Jxi(PenalizedComplexityPrior self) -> double"""
3503 return _IMP_isd.PenalizedComplexityPrior_get_Jxi(self)
3505 def get_alpha(self):
3506 r"""get_alpha(PenalizedComplexityPrior self) -> double"""
3507 return _IMP_isd.PenalizedComplexityPrior_get_alpha(self)
3508 __swig_destroy__ = _IMP_isd.delete_PenalizedComplexityPrior
3511 r"""__str__(PenalizedComplexityPrior self) -> std::string"""
3512 return _IMP_isd.PenalizedComplexityPrior___str__(self)
3515 r"""__repr__(PenalizedComplexityPrior self) -> std::string"""
3516 return _IMP_isd.PenalizedComplexityPrior___repr__(self)
3520 return _object_cast_to_PenalizedComplexityPrior(o)
3524 _IMP_isd.PenalizedComplexityPrior_swigregister(PenalizedComplexityPrior)
3526 r"""Proxy of C++ IMP::isd::vonMisesKappaJeffreysRestraint class."""
3528 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3530 def __init__(self, m, kappa):
3531 r"""__init__(vonMisesKappaJeffreysRestraint self, Model m, Particle kappa) -> vonMisesKappaJeffreysRestraint"""
3532 _IMP_isd.vonMisesKappaJeffreysRestraint_swiginit(self, _IMP_isd.new_vonMisesKappaJeffreysRestraint(m, kappa))
3535 r"""do_get_inputs(vonMisesKappaJeffreysRestraint self) -> IMP::ModelObjectsTemp"""
3536 return _IMP_isd.vonMisesKappaJeffreysRestraint_do_get_inputs(self)
3539 r"""get_version_info(vonMisesKappaJeffreysRestraint self) -> VersionInfo"""
3540 return _IMP_isd.vonMisesKappaJeffreysRestraint_get_version_info(self)
3541 __swig_destroy__ = _IMP_isd.delete_vonMisesKappaJeffreysRestraint
3543 def get_probability(self):
3544 r"""get_probability(vonMisesKappaJeffreysRestraint self) -> double"""
3545 return _IMP_isd.vonMisesKappaJeffreysRestraint_get_probability(self)
3548 r"""__str__(vonMisesKappaJeffreysRestraint self) -> std::string"""
3549 return _IMP_isd.vonMisesKappaJeffreysRestraint___str__(self)
3552 r"""__repr__(vonMisesKappaJeffreysRestraint self) -> std::string"""
3553 return _IMP_isd.vonMisesKappaJeffreysRestraint___repr__(self)
3557 return _object_cast_to_vonMisesKappaJeffreysRestraint(o)
3561 _IMP_isd.vonMisesKappaJeffreysRestraint_swigregister(vonMisesKappaJeffreysRestraint)
3563 r"""Proxy of C++ IMP::isd::vonMisesKappaConjugateRestraint class."""
3565 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3567 def __init__(self, m, kappa, c=10.0, R0=0.0):
3568 r"""__init__(vonMisesKappaConjugateRestraint self, Model m, Particle kappa, double c=10.0, double R0=0.0) -> vonMisesKappaConjugateRestraint"""
3569 _IMP_isd.vonMisesKappaConjugateRestraint_swiginit(self, _IMP_isd.new_vonMisesKappaConjugateRestraint(m, kappa, c, R0))
3572 r"""do_get_inputs(vonMisesKappaConjugateRestraint self) -> IMP::ModelObjectsTemp"""
3573 return _IMP_isd.vonMisesKappaConjugateRestraint_do_get_inputs(self)
3576 r"""get_version_info(vonMisesKappaConjugateRestraint self) -> VersionInfo"""
3577 return _IMP_isd.vonMisesKappaConjugateRestraint_get_version_info(self)
3578 __swig_destroy__ = _IMP_isd.delete_vonMisesKappaConjugateRestraint
3580 def get_probability(self):
3581 r"""get_probability(vonMisesKappaConjugateRestraint self) -> double"""
3582 return _IMP_isd.vonMisesKappaConjugateRestraint_get_probability(self)
3585 r"""__str__(vonMisesKappaConjugateRestraint self) -> std::string"""
3586 return _IMP_isd.vonMisesKappaConjugateRestraint___str__(self)
3589 r"""__repr__(vonMisesKappaConjugateRestraint self) -> std::string"""
3590 return _IMP_isd.vonMisesKappaConjugateRestraint___repr__(self)
3594 return _object_cast_to_vonMisesKappaConjugateRestraint(o)
3598 _IMP_isd.vonMisesKappaConjugateRestraint_swigregister(vonMisesKappaConjugateRestraint)
3600 r"""Proxy of C++ IMP::isd::NOERestraint class."""
3602 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3604 def __init__(self, m, p0, p1, sigma, gamma, Iexp):
3605 r"""__init__(NOERestraint self, Model m, Particle p0, Particle p1, Particle sigma, Particle gamma, double Iexp) -> NOERestraint"""
3606 _IMP_isd.NOERestraint_swiginit(self, _IMP_isd.new_NOERestraint(m, p0, p1, sigma, gamma, Iexp))
3608 def get_probability(self):
3609 r"""get_probability(NOERestraint self) -> double"""
3610 return _IMP_isd.NOERestraint_get_probability(self)
3613 r"""get_chi(NOERestraint self) -> double"""
3614 return _IMP_isd.NOERestraint_get_chi(self)
3617 r"""do_get_inputs(NOERestraint self) -> IMP::ModelObjectsTemp"""
3618 return _IMP_isd.NOERestraint_do_get_inputs(self)
3621 r"""get_version_info(NOERestraint self) -> VersionInfo"""
3622 return _IMP_isd.NOERestraint_get_version_info(self)
3623 __swig_destroy__ = _IMP_isd.delete_NOERestraint
3626 r"""__str__(NOERestraint self) -> std::string"""
3627 return _IMP_isd.NOERestraint___str__(self)
3630 r"""__repr__(NOERestraint self) -> std::string"""
3631 return _IMP_isd.NOERestraint___repr__(self)
3635 return _object_cast_to_NOERestraint(o)
3639 _IMP_isd.NOERestraint_swigregister(NOERestraint)
3641 r"""Proxy of C++ IMP::isd::GaussianRestraint class."""
3643 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3645 def __init__(self, *args):
3647 __init__(GaussianRestraint self, Particle x, Particle mu, Particle sigma) -> GaussianRestraint
3648 __init__(GaussianRestraint self, double x, Particle mu, Particle sigma) -> GaussianRestraint
3649 __init__(GaussianRestraint self, Particle x, double mu, Particle sigma) -> GaussianRestraint
3650 __init__(GaussianRestraint self, Particle x, Particle mu, double sigma) -> GaussianRestraint
3651 __init__(GaussianRestraint self, double x, double mu, Particle sigma) -> GaussianRestraint
3652 __init__(GaussianRestraint self, Particle x, double mu, double sigma) -> GaussianRestraint
3653 __init__(GaussianRestraint self, double x, Particle mu, double sigma) -> GaussianRestraint
3655 _IMP_isd.GaussianRestraint_swiginit(self, _IMP_isd.new_GaussianRestraint(*args))
3657 def get_probability(self):
3658 r"""get_probability(GaussianRestraint self) -> double"""
3659 return _IMP_isd.GaussianRestraint_get_probability(self)
3662 r"""get_chi(GaussianRestraint self) -> double"""
3663 return _IMP_isd.GaussianRestraint_get_chi(self)
3666 r"""do_get_inputs(GaussianRestraint self) -> IMP::ModelObjectsTemp"""
3667 return _IMP_isd.GaussianRestraint_do_get_inputs(self)
3670 r"""get_version_info(GaussianRestraint self) -> VersionInfo"""
3671 return _IMP_isd.GaussianRestraint_get_version_info(self)
3672 __swig_destroy__ = _IMP_isd.delete_GaussianRestraint
3675 r"""__str__(GaussianRestraint self) -> std::string"""
3676 return _IMP_isd.GaussianRestraint___str__(self)
3679 r"""__repr__(GaussianRestraint self) -> std::string"""
3680 return _IMP_isd.GaussianRestraint___repr__(self)
3684 return _object_cast_to_GaussianRestraint(o)
3688 _IMP_isd.GaussianRestraint_swigregister(GaussianRestraint)
3690 r"""Proxy of C++ IMP::isd::StudentTRestraint class."""
3692 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3694 def __init__(self, *args):
3696 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3697 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3698 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3699 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3700 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3701 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3702 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, _ParticleIndexAdaptor mu, double sigma, double nu) -> StudentTRestraint
3703 __init__(StudentTRestraint self, Model m, _ParticleIndexAdaptor x, double mu, double sigma, double nu) -> StudentTRestraint
3704 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3705 __init__(StudentTRestraint self, Model m, double x, double mu, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3706 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3707 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3708 __init__(StudentTRestraint self, Model m, double x, double mu, double sigma, _ParticleIndexAdaptor nu) -> StudentTRestraint
3709 __init__(StudentTRestraint self, Model m, double x, double mu, _ParticleIndexAdaptor sigma, double nu) -> StudentTRestraint
3710 __init__(StudentTRestraint self, Model m, double x, _ParticleIndexAdaptor mu, double sigma, double nu) -> StudentTRestraint
3712 _IMP_isd.StudentTRestraint_swiginit(self, _IMP_isd.new_StudentTRestraint(*args))
3714 def get_probability(self):
3715 r"""get_probability(StudentTRestraint self) -> double"""
3716 return _IMP_isd.StudentTRestraint_get_probability(self)
3719 r"""do_get_inputs(StudentTRestraint self) -> IMP::ModelObjectsTemp"""
3720 return _IMP_isd.StudentTRestraint_do_get_inputs(self)
3723 r"""get_version_info(StudentTRestraint self) -> VersionInfo"""
3724 return _IMP_isd.StudentTRestraint_get_version_info(self)
3725 __swig_destroy__ = _IMP_isd.delete_StudentTRestraint
3728 r"""__str__(StudentTRestraint self) -> std::string"""
3729 return _IMP_isd.StudentTRestraint___str__(self)
3732 r"""__repr__(StudentTRestraint self) -> std::string"""
3733 return _IMP_isd.StudentTRestraint___repr__(self)
3737 return _object_cast_to_StudentTRestraint(o)
3741 _IMP_isd.StudentTRestraint_swigregister(StudentTRestraint)
3743 r"""Proxy of C++ IMP::isd::LognormalRestraint class."""
3745 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3747 def __init__(self, *args):
3749 __init__(LognormalRestraint self, Particle x, Particle mu, Particle sigma) -> LognormalRestraint
3750 __init__(LognormalRestraint self, double x, Particle mu, Particle sigma) -> LognormalRestraint
3751 __init__(LognormalRestraint self, Particle x, double mu, Particle sigma) -> LognormalRestraint
3752 __init__(LognormalRestraint self, Particle x, Particle mu, double sigma) -> LognormalRestraint
3753 __init__(LognormalRestraint self, double x, double mu, Particle sigma) -> LognormalRestraint
3754 __init__(LognormalRestraint self, Particle x, double mu, double sigma) -> LognormalRestraint
3755 __init__(LognormalRestraint self, double x, Particle mu, double sigma) -> LognormalRestraint
3757 _IMP_isd.LognormalRestraint_swiginit(self, _IMP_isd.new_LognormalRestraint(*args))
3759 def get_probability(self):
3760 r"""get_probability(LognormalRestraint self) -> double"""
3761 return _IMP_isd.LognormalRestraint_get_probability(self)
3764 r"""get_chi(LognormalRestraint self) -> double"""
3765 return _IMP_isd.LognormalRestraint_get_chi(self)
3768 r"""do_get_inputs(LognormalRestraint self) -> IMP::ModelObjectsTemp"""
3769 return _IMP_isd.LognormalRestraint_do_get_inputs(self)
3772 r"""get_version_info(LognormalRestraint self) -> VersionInfo"""
3773 return _IMP_isd.LognormalRestraint_get_version_info(self)
3774 __swig_destroy__ = _IMP_isd.delete_LognormalRestraint
3777 r"""__str__(LognormalRestraint self) -> std::string"""
3778 return _IMP_isd.LognormalRestraint___str__(self)
3781 r"""__repr__(LognormalRestraint self) -> std::string"""
3782 return _IMP_isd.LognormalRestraint___repr__(self)
3786 return _object_cast_to_LognormalRestraint(o)
3790 _IMP_isd.LognormalRestraint_swigregister(LognormalRestraint)
3792 r"""Proxy of C++ IMP::isd::LognormalAmbiguousRestraint class."""
3794 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3796 def __init__(self, p1, p2, ki, sigmaG):
3797 r"""__init__(LognormalAmbiguousRestraint self, Particle p1, Particle p2, Particle ki, Particle sigmaG) -> LognormalAmbiguousRestraint"""
3798 _IMP_isd.LognormalAmbiguousRestraint_swiginit(self, _IMP_isd.new_LognormalAmbiguousRestraint(p1, p2, ki, sigmaG))
3800 def add_contribution(self, lexp, omega):
3801 r"""add_contribution(LognormalAmbiguousRestraint self, double lexp, Particle omega)"""
3802 return _IMP_isd.LognormalAmbiguousRestraint_add_contribution(self, lexp, omega)
3804 def get_number_of_contributions(self):
3805 r"""get_number_of_contributions(LognormalAmbiguousRestraint self) -> unsigned int"""
3806 return _IMP_isd.LognormalAmbiguousRestraint_get_number_of_contributions(self)
3808 def draw_k_from_posterior(self, kt):
3809 r"""draw_k_from_posterior(LognormalAmbiguousRestraint self, double kt)"""
3810 return _IMP_isd.LognormalAmbiguousRestraint_draw_k_from_posterior(self, kt)
3812 def get_probability(self):
3813 r"""get_probability(LognormalAmbiguousRestraint self) -> double"""
3814 return _IMP_isd.LognormalAmbiguousRestraint_get_probability(self)
3817 r"""do_get_inputs(LognormalAmbiguousRestraint self) -> IMP::ModelObjectsTemp"""
3818 return _IMP_isd.LognormalAmbiguousRestraint_do_get_inputs(self)
3821 r"""get_version_info(LognormalAmbiguousRestraint self) -> VersionInfo"""
3822 return _IMP_isd.LognormalAmbiguousRestraint_get_version_info(self)
3823 __swig_destroy__ = _IMP_isd.delete_LognormalAmbiguousRestraint
3826 r"""__str__(LognormalAmbiguousRestraint self) -> std::string"""
3827 return _IMP_isd.LognormalAmbiguousRestraint___str__(self)
3830 r"""__repr__(LognormalAmbiguousRestraint self) -> std::string"""
3831 return _IMP_isd.LognormalAmbiguousRestraint___repr__(self)
3835 return _object_cast_to_LognormalAmbiguousRestraint(o)
3839 _IMP_isd.LognormalAmbiguousRestraint_swigregister(LognormalAmbiguousRestraint)
3841 r"""Proxy of C++ IMP::isd::AmbiguousNOERestraint class."""
3843 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3845 def __init__(self, *args):
3847 __init__(AmbiguousNOERestraint self, Model m, PairContainer pc, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor gamma, double Iexp) -> AmbiguousNOERestraint
3848 __init__(AmbiguousNOERestraint self) -> AmbiguousNOERestraint
3850 _IMP_isd.AmbiguousNOERestraint_swiginit(self, _IMP_isd.new_AmbiguousNOERestraint(*args))
3852 def get_probability(self):
3853 r"""get_probability(AmbiguousNOERestraint self) -> double"""
3854 return _IMP_isd.AmbiguousNOERestraint_get_probability(self)
3857 r"""get_chi(AmbiguousNOERestraint self) -> double"""
3858 return _IMP_isd.AmbiguousNOERestraint_get_chi(self)
3861 r"""do_get_inputs(AmbiguousNOERestraint self) -> IMP::ModelObjectsTemp"""
3862 return _IMP_isd.AmbiguousNOERestraint_do_get_inputs(self)
3865 r"""get_version_info(AmbiguousNOERestraint self) -> VersionInfo"""
3866 return _IMP_isd.AmbiguousNOERestraint_get_version_info(self)
3867 __swig_destroy__ = _IMP_isd.delete_AmbiguousNOERestraint
3870 r"""__str__(AmbiguousNOERestraint self) -> std::string"""
3871 return _IMP_isd.AmbiguousNOERestraint___str__(self)
3874 r"""__repr__(AmbiguousNOERestraint self) -> std::string"""
3875 return _IMP_isd.AmbiguousNOERestraint___repr__(self)
3879 return _object_cast_to_AmbiguousNOERestraint(o)
3882 def _get_as_binary(self):
3883 r"""_get_as_binary(AmbiguousNOERestraint self) -> PyObject *"""
3884 return _IMP_isd.AmbiguousNOERestraint__get_as_binary(self)
3886 def _set_from_binary(self, p):
3887 r"""_set_from_binary(AmbiguousNOERestraint self, PyObject * p)"""
3888 return _IMP_isd.AmbiguousNOERestraint__set_from_binary(self, p)
3890 def __getstate__(self):
3891 p = self._get_as_binary()
3892 if len(self.__dict__) > 1:
3893 d = self.__dict__.copy()
3898 def __setstate__(self, p):
3899 if not hasattr(self,
'this'):
3901 if isinstance(p, tuple):
3903 self.__dict__.update(d)
3904 return self._set_from_binary(p)
3908 _IMP_isd.AmbiguousNOERestraint_swigregister(AmbiguousNOERestraint)
3910 r"""Proxy of C++ IMP::isd::MarginalNOERestraint class."""
3912 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3914 def __init__(self, m):
3915 r"""__init__(MarginalNOERestraint self, Model m) -> MarginalNOERestraint"""
3916 _IMP_isd.MarginalNOERestraint_swiginit(self, _IMP_isd.new_MarginalNOERestraint(m))
3918 def add_contribution(self, *args):
3920 add_contribution(MarginalNOERestraint self, Particle p1, Particle p2, double Iexp)
3921 add_contribution(MarginalNOERestraint self, PairContainer pc, double Iexp)
3923 return _IMP_isd.MarginalNOERestraint_add_contribution(self, *args)
3925 def get_log_gammahat(self):
3926 r"""get_log_gammahat(MarginalNOERestraint self) -> double"""
3927 return _IMP_isd.MarginalNOERestraint_get_log_gammahat(self)
3930 r"""get_SS(MarginalNOERestraint self) -> double"""
3931 return _IMP_isd.MarginalNOERestraint_get_SS(self)
3933 def get_number_of_contributions(self):
3934 r"""get_number_of_contributions(MarginalNOERestraint self) -> unsigned int"""
3935 return _IMP_isd.MarginalNOERestraint_get_number_of_contributions(self)
3937 def get_probability(self):
3938 r"""get_probability(MarginalNOERestraint self) -> double"""
3939 return _IMP_isd.MarginalNOERestraint_get_probability(self)
3942 r"""do_get_inputs(MarginalNOERestraint self) -> IMP::ModelObjectsTemp"""
3943 return _IMP_isd.MarginalNOERestraint_do_get_inputs(self)
3946 r"""get_version_info(MarginalNOERestraint self) -> VersionInfo"""
3947 return _IMP_isd.MarginalNOERestraint_get_version_info(self)
3948 __swig_destroy__ = _IMP_isd.delete_MarginalNOERestraint
3951 r"""__str__(MarginalNOERestraint self) -> std::string"""
3952 return _IMP_isd.MarginalNOERestraint___str__(self)
3955 r"""__repr__(MarginalNOERestraint self) -> std::string"""
3956 return _IMP_isd.MarginalNOERestraint___repr__(self)
3960 return _object_cast_to_MarginalNOERestraint(o)
3964 _IMP_isd.MarginalNOERestraint_swigregister(MarginalNOERestraint)
3966 r"""Proxy of C++ IMP::isd::MarginalHBondRestraint class."""
3968 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
3970 def __init__(self, m):
3971 r"""__init__(MarginalHBondRestraint self, Model m) -> MarginalHBondRestraint"""
3972 _IMP_isd.MarginalHBondRestraint_swiginit(self, _IMP_isd.new_MarginalHBondRestraint(m))
3974 def add_contribution(self, *args):
3976 add_contribution(MarginalHBondRestraint self, Particle p1, Particle p2, double Iexp)
3977 add_contribution(MarginalHBondRestraint self, PairContainer pc, double Iexp)
3979 return _IMP_isd.MarginalHBondRestraint_add_contribution(self, *args)
3981 def get_logsquares(self):
3982 r"""get_logsquares(MarginalHBondRestraint self) -> double"""
3983 return _IMP_isd.MarginalHBondRestraint_get_logsquares(self)
3985 def get_number_of_contributions(self):
3986 r"""get_number_of_contributions(MarginalHBondRestraint self) -> unsigned int"""
3987 return _IMP_isd.MarginalHBondRestraint_get_number_of_contributions(self)
3989 def get_probability(self):
3990 r"""get_probability(MarginalHBondRestraint self) -> double"""
3991 return _IMP_isd.MarginalHBondRestraint_get_probability(self)
3994 r"""do_get_inputs(MarginalHBondRestraint self) -> IMP::ModelObjectsTemp"""
3995 return _IMP_isd.MarginalHBondRestraint_do_get_inputs(self)
3998 r"""get_version_info(MarginalHBondRestraint self) -> VersionInfo"""
3999 return _IMP_isd.MarginalHBondRestraint_get_version_info(self)
4000 __swig_destroy__ = _IMP_isd.delete_MarginalHBondRestraint
4003 r"""__str__(MarginalHBondRestraint self) -> std::string"""
4004 return _IMP_isd.MarginalHBondRestraint___str__(self)
4007 r"""__repr__(MarginalHBondRestraint self) -> std::string"""
4008 return _IMP_isd.MarginalHBondRestraint___repr__(self)
4012 return _object_cast_to_MarginalHBondRestraint(o)
4016 _IMP_isd.MarginalHBondRestraint_swigregister(MarginalHBondRestraint)
4018 r"""Proxy of C++ IMP::isd::TALOSRestraint class."""
4020 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4022 def __init__(self, *args):
4024 __init__(TALOSRestraint self, Model m, IMP::Particles p, IMP::Floats data, Particle kappa) -> TALOSRestraint
4025 __init__(TALOSRestraint self, Model m, Particle p1, Particle p2, Particle p3, Particle p4, IMP::Floats data, Particle kappa) -> TALOSRestraint
4026 __init__(TALOSRestraint self, Model m, IMP::Particles p, unsigned int N, double R0, double chiexp, Particle kappa) -> TALOSRestraint
4027 __init__(TALOSRestraint self, Model m, Particle p1, Particle p2, Particle p3, Particle p4, unsigned int N, double R0, double chiexp, Particle kappa) -> TALOSRestraint
4029 _IMP_isd.TALOSRestraint_swiginit(self, _IMP_isd.new_TALOSRestraint(*args))
4031 def get_probability(self):
4032 r"""get_probability(TALOSRestraint self) -> double"""
4033 return _IMP_isd.TALOSRestraint_get_probability(self)
4036 r"""get_R0(TALOSRestraint self) -> double"""
4037 return _IMP_isd.TALOSRestraint_get_R0(self)
4039 def get_chiexp(self):
4040 r"""get_chiexp(TALOSRestraint self) -> double"""
4041 return _IMP_isd.TALOSRestraint_get_chiexp(self)
4044 r"""do_get_inputs(TALOSRestraint self) -> IMP::ModelObjectsTemp"""
4045 return _IMP_isd.TALOSRestraint_do_get_inputs(self)
4048 r"""get_version_info(TALOSRestraint self) -> VersionInfo"""
4049 return _IMP_isd.TALOSRestraint_get_version_info(self)
4050 __swig_destroy__ = _IMP_isd.delete_TALOSRestraint
4053 r"""__str__(TALOSRestraint self) -> std::string"""
4054 return _IMP_isd.TALOSRestraint___str__(self)
4057 r"""__repr__(TALOSRestraint self) -> std::string"""
4058 return _IMP_isd.TALOSRestraint___repr__(self)
4062 return _object_cast_to_TALOSRestraint(o)
4066 _IMP_isd.TALOSRestraint_swigregister(TALOSRestraint)
4068 r"""Proxy of C++ IMP::isd::RepulsiveDistancePairScore class."""
4070 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4072 def __init__(self, d0, k):
4073 r"""__init__(RepulsiveDistancePairScore self, double d0, double k) -> RepulsiveDistancePairScore"""
4074 _IMP_isd.RepulsiveDistancePairScore_swiginit(self, _IMP_isd.new_RepulsiveDistancePairScore(d0, k))
4076 def get_rest_length(self):
4077 r"""get_rest_length(RepulsiveDistancePairScore self) -> double"""
4078 return _IMP_isd.RepulsiveDistancePairScore_get_rest_length(self)
4080 def get_stiffness(self):
4081 r"""get_stiffness(RepulsiveDistancePairScore self) -> double"""
4082 return _IMP_isd.RepulsiveDistancePairScore_get_stiffness(self)
4085 r"""do_get_inputs(RepulsiveDistancePairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
4086 return _IMP_isd.RepulsiveDistancePairScore_do_get_inputs(self, m, pis)
4088 def evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked=False):
4089 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"""
4090 return _IMP_isd.RepulsiveDistancePairScore_evaluate_indexes(self, m, p, da, lower_bound, upper_bound, all_indexes_checked)
4092 def evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked=False):
4093 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"""
4094 return _IMP_isd.RepulsiveDistancePairScore_evaluate_indexes_scores(self, m, p, da, lower_bound, upper_bound, score, all_indexes_checked)
4096 def evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked=False):
4097 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"""
4098 return _IMP_isd.RepulsiveDistancePairScore_evaluate_indexes_delta(self, m, p, da, indexes, score, all_indexes_checked)
4100 def evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked=False):
4101 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"""
4102 return _IMP_isd.RepulsiveDistancePairScore_evaluate_if_good_indexes(self, m, p, da, max, lower_bound, upper_bound, all_indexes_checked)
4105 r"""get_version_info(RepulsiveDistancePairScore self) -> VersionInfo"""
4106 return _IMP_isd.RepulsiveDistancePairScore_get_version_info(self)
4107 __swig_destroy__ = _IMP_isd.delete_RepulsiveDistancePairScore
4110 r"""__str__(RepulsiveDistancePairScore self) -> std::string"""
4111 return _IMP_isd.RepulsiveDistancePairScore___str__(self)
4114 r"""__repr__(RepulsiveDistancePairScore self) -> std::string"""
4115 return _IMP_isd.RepulsiveDistancePairScore___repr__(self)
4119 return _object_cast_to_RepulsiveDistancePairScore(o)
4123 _IMP_isd.RepulsiveDistancePairScore_swigregister(RepulsiveDistancePairScore)
4125 r"""Proxy of C++ IMP::isd::AmbiguousRestraint class."""
4127 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4129 def __init__(self, *args):
4131 __init__(AmbiguousRestraint self, Model m, int d, Restraint r0, Restraint r1) -> AmbiguousRestraint
4132 __init__(AmbiguousRestraint self, Model m, int d, IMP::Restraints rs) -> AmbiguousRestraint
4133 __init__(AmbiguousRestraint self) -> AmbiguousRestraint
4135 _IMP_isd.AmbiguousRestraint_swiginit(self, _IMP_isd.new_AmbiguousRestraint(*args))
4137 def get_probability(self):
4138 r"""get_probability(AmbiguousRestraint self) -> double"""
4139 return _IMP_isd.AmbiguousRestraint_get_probability(self)
4142 r"""do_get_inputs(AmbiguousRestraint self) -> IMP::ModelObjectsTemp"""
4143 return _IMP_isd.AmbiguousRestraint_do_get_inputs(self)
4146 r"""get_version_info(AmbiguousRestraint self) -> VersionInfo"""
4147 return _IMP_isd.AmbiguousRestraint_get_version_info(self)
4148 __swig_destroy__ = _IMP_isd.delete_AmbiguousRestraint
4151 r"""__str__(AmbiguousRestraint self) -> std::string"""
4152 return _IMP_isd.AmbiguousRestraint___str__(self)
4155 r"""__repr__(AmbiguousRestraint self) -> std::string"""
4156 return _IMP_isd.AmbiguousRestraint___repr__(self)
4160 return _object_cast_to_AmbiguousRestraint(o)
4163 def _get_as_binary(self):
4164 r"""_get_as_binary(AmbiguousRestraint self) -> PyObject *"""
4165 return _IMP_isd.AmbiguousRestraint__get_as_binary(self)
4167 def _set_from_binary(self, p):
4168 r"""_set_from_binary(AmbiguousRestraint self, PyObject * p)"""
4169 return _IMP_isd.AmbiguousRestraint__set_from_binary(self, p)
4171 def __getstate__(self):
4172 p = self._get_as_binary()
4173 if len(self.__dict__) > 1:
4174 d = self.__dict__.copy()
4179 def __setstate__(self, p):
4180 if not hasattr(self,
'this'):
4182 if isinstance(p, tuple):
4184 self.__dict__.update(d)
4185 return self._set_from_binary(p)
4189 _IMP_isd.AmbiguousRestraint_swigregister(AmbiguousRestraint)
4190 IMP_ISD_UNIVARIATE_FUNCTIONS_MINIMUM = _IMP_isd.IMP_ISD_UNIVARIATE_FUNCTIONS_MINIMUM
4193 r"""Proxy of C++ IMP::isd::UnivariateFunction class."""
4195 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4197 def __init__(self, *args, **kwargs):
4198 raise AttributeError(
"No constructor defined - class is abstract")
4200 def __call__(self, *args):
4202 __call__(UnivariateFunction self, IMP::Floats const & x) -> IMP::Floats
4203 __call__(UnivariateFunction self, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4204 __call__(UnivariateFunction self, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4206 return _IMP_isd.UnivariateFunction___call__(self, *args)
4208 def has_changed(self):
4209 r"""has_changed(UnivariateFunction self) -> bool"""
4210 return _IMP_isd.UnivariateFunction_has_changed(self)
4213 r"""update(UnivariateFunction self)"""
4214 return _IMP_isd.UnivariateFunction_update(self)
4216 def add_to_derivatives(self, x, accum):
4217 r"""add_to_derivatives(UnivariateFunction self, IMP::Floats const & x, DerivativeAccumulator accum)"""
4218 return _IMP_isd.UnivariateFunction_add_to_derivatives(self, x, accum)
4220 def add_to_particle_derivative(self, particle_no, value, accum):
4221 r"""add_to_particle_derivative(UnivariateFunction self, unsigned int particle_no, double value, DerivativeAccumulator accum)"""
4222 return _IMP_isd.UnivariateFunction_add_to_particle_derivative(self, particle_no, value, accum)
4224 def get_derivative_vector(self, particle_no, xlist):
4225 r"""get_derivative_vector(UnivariateFunction self, unsigned int particle_no, IMP::FloatsList const & xlist) -> Eigen::VectorXd"""
4226 return _IMP_isd.UnivariateFunction_get_derivative_vector(self, particle_no, xlist)
4228 def get_derivative_matrix(self, xlist, stupid):
4229 r"""get_derivative_matrix(UnivariateFunction self, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList"""
4230 return _IMP_isd.UnivariateFunction_get_derivative_matrix(self, xlist, stupid)
4232 def get_second_derivative_vector(self, *args):
4234 get_second_derivative_vector(UnivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4235 get_second_derivative_vector(UnivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4237 return _IMP_isd.UnivariateFunction_get_second_derivative_vector(self, *args)
4239 def get_ndims_x(self):
4240 r"""get_ndims_x(UnivariateFunction self) -> unsigned int"""
4241 return _IMP_isd.UnivariateFunction_get_ndims_x(self)
4243 def get_ndims_y(self):
4244 r"""get_ndims_y(UnivariateFunction self) -> unsigned int"""
4245 return _IMP_isd.UnivariateFunction_get_ndims_y(self)
4247 def get_number_of_particles(self):
4248 r"""get_number_of_particles(UnivariateFunction self) -> unsigned int"""
4249 return _IMP_isd.UnivariateFunction_get_number_of_particles(self)
4251 def get_particle_is_optimized(self, particle_no):
4252 r"""get_particle_is_optimized(UnivariateFunction self, unsigned int particle_no) -> bool"""
4253 return _IMP_isd.UnivariateFunction_get_particle_is_optimized(self, particle_no)
4255 def get_number_of_optimized_particles(self):
4256 r"""get_number_of_optimized_particles(UnivariateFunction self) -> unsigned int"""
4257 return _IMP_isd.UnivariateFunction_get_number_of_optimized_particles(self)
4260 r"""get_inputs(UnivariateFunction self) -> IMP::ModelObjectsTemp"""
4261 return _IMP_isd.UnivariateFunction_get_inputs(self)
4262 __swig_destroy__ = _IMP_isd.delete_UnivariateFunction
4265 r"""__str__(UnivariateFunction self) -> std::string"""
4266 return _IMP_isd.UnivariateFunction___str__(self)
4269 r"""__repr__(UnivariateFunction self) -> std::string"""
4270 return _IMP_isd.UnivariateFunction___repr__(self)
4274 return _object_cast_to_UnivariateFunction(o)
4278 _IMP_isd.UnivariateFunction_swigregister(UnivariateFunction)
4279 class Linear1DFunction(UnivariateFunction):
4280 r"""Proxy of C++ IMP::isd::Linear1DFunction class."""
4282 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4284 def __init__(self, a, b):
4285 r"""__init__(Linear1DFunction self, Particle a, Particle b) -> Linear1DFunction"""
4286 _IMP_isd.Linear1DFunction_swiginit(self, _IMP_isd.new_Linear1DFunction(a, b))
4288 def __call__(self, *args):
4290 __call__(Linear1DFunction self, IMP::Floats const & x) -> IMP::Floats
4291 __call__(Linear1DFunction self, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4292 __call__(Linear1DFunction self, IMP::FloatsList const & xlist, bool arg3) -> IMP::FloatsList
4294 return _IMP_isd.Linear1DFunction___call__(self, *args)
4296 def get_second_derivative_vector(self, *args):
4298 get_second_derivative_vector(Linear1DFunction self, unsigned int arg2, unsigned int arg3, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4299 get_second_derivative_vector(Linear1DFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool arg5) -> IMP::FloatsList
4301 return _IMP_isd.Linear1DFunction_get_second_derivative_vector(self, *args)
4304 r"""get_version_info(Linear1DFunction self) -> VersionInfo"""
4305 return _IMP_isd.Linear1DFunction_get_version_info(self)
4306 __swig_destroy__ = _IMP_isd.delete_Linear1DFunction
4309 r"""__str__(Linear1DFunction self) -> std::string"""
4310 return _IMP_isd.Linear1DFunction___str__(self)
4313 r"""__repr__(Linear1DFunction self) -> std::string"""
4314 return _IMP_isd.Linear1DFunction___repr__(self)
4318 return _object_cast_to_Linear1DFunction(o)
4322 _IMP_isd.Linear1DFunction_swigregister(Linear1DFunction)
4323 class GeneralizedGuinierPorodFunction(UnivariateFunction):
4324 r"""Proxy of C++ IMP::isd::GeneralizedGuinierPorodFunction class."""
4326 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4328 def __init__(self, G, Rg, d, s, A):
4329 r"""__init__(GeneralizedGuinierPorodFunction self, Particle G, Particle Rg, Particle d, Particle s, Particle A) -> GeneralizedGuinierPorodFunction"""
4330 _IMP_isd.GeneralizedGuinierPorodFunction_swiginit(self, _IMP_isd.new_GeneralizedGuinierPorodFunction(G, Rg, d, s, A))
4332 def __call__(self, *args):
4334 __call__(GeneralizedGuinierPorodFunction self, IMP::Floats const & x) -> IMP::Floats
4335 __call__(GeneralizedGuinierPorodFunction self, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4336 __call__(GeneralizedGuinierPorodFunction self, IMP::FloatsList const & xlist, bool arg3) -> IMP::FloatsList
4338 return _IMP_isd.GeneralizedGuinierPorodFunction___call__(self, *args)
4340 def get_second_derivative_vector(self, *args):
4342 get_second_derivative_vector(GeneralizedGuinierPorodFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::VectorXd
4343 get_second_derivative_vector(GeneralizedGuinierPorodFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool arg5) -> IMP::FloatsList
4345 return _IMP_isd.GeneralizedGuinierPorodFunction_get_second_derivative_vector(self, *args)
4348 r"""get_version_info(GeneralizedGuinierPorodFunction self) -> VersionInfo"""
4349 return _IMP_isd.GeneralizedGuinierPorodFunction_get_version_info(self)
4350 __swig_destroy__ = _IMP_isd.delete_GeneralizedGuinierPorodFunction
4353 r"""__str__(GeneralizedGuinierPorodFunction self) -> std::string"""
4354 return _IMP_isd.GeneralizedGuinierPorodFunction___str__(self)
4357 r"""__repr__(GeneralizedGuinierPorodFunction self) -> std::string"""
4358 return _IMP_isd.GeneralizedGuinierPorodFunction___repr__(self)
4362 return _object_cast_to_GeneralizedGuinierPorodFunction(o)
4366 _IMP_isd.GeneralizedGuinierPorodFunction_swigregister(GeneralizedGuinierPorodFunction)
4367 IMP_ISD_BIVARIATE_FUNCTIONS_MINIMUM = _IMP_isd.IMP_ISD_BIVARIATE_FUNCTIONS_MINIMUM
4370 r"""Proxy of C++ IMP::isd::BivariateFunction class."""
4372 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4374 def __init__(self, *args, **kwargs):
4375 raise AttributeError(
"No constructor defined - class is abstract")
4377 def __call__(self, *args):
4379 __call__(BivariateFunction self, IMP::Floats const & x1, IMP::Floats const & x2) -> IMP::Floats
4380 __call__(BivariateFunction self, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4381 __call__(BivariateFunction self, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4383 return _IMP_isd.BivariateFunction___call__(self, *args)
4385 def has_changed(self):
4386 r"""has_changed(BivariateFunction self) -> bool"""
4387 return _IMP_isd.BivariateFunction_has_changed(self)
4390 r"""update(BivariateFunction self)"""
4391 return _IMP_isd.BivariateFunction_update(self)
4393 def add_to_derivatives(self, x1, x2, accum):
4394 r"""add_to_derivatives(BivariateFunction self, IMP::Floats const & x1, IMP::Floats const & x2, DerivativeAccumulator accum)"""
4395 return _IMP_isd.BivariateFunction_add_to_derivatives(self, x1, x2, accum)
4397 def add_to_particle_derivative(self, particle_no, value, accum):
4398 r"""add_to_particle_derivative(BivariateFunction self, unsigned int particle_no, double value, DerivativeAccumulator accum)"""
4399 return _IMP_isd.BivariateFunction_add_to_particle_derivative(self, particle_no, value, accum)
4401 def get_derivative_matrix(self, *args):
4403 get_derivative_matrix(BivariateFunction self, unsigned int particle_no, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4404 get_derivative_matrix(BivariateFunction self, unsigned int particle_no, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4406 return _IMP_isd.BivariateFunction_get_derivative_matrix(self, *args)
4408 def get_second_derivative_matrix(self, *args):
4410 get_second_derivative_matrix(BivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4411 get_second_derivative_matrix(BivariateFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool stupid) -> IMP::FloatsList
4413 return _IMP_isd.BivariateFunction_get_second_derivative_matrix(self, *args)
4415 def get_ndims_x1(self):
4416 r"""get_ndims_x1(BivariateFunction self) -> unsigned int"""
4417 return _IMP_isd.BivariateFunction_get_ndims_x1(self)
4419 def get_ndims_x2(self):
4420 r"""get_ndims_x2(BivariateFunction self) -> unsigned int"""
4421 return _IMP_isd.BivariateFunction_get_ndims_x2(self)
4423 def get_ndims_y(self):
4424 r"""get_ndims_y(BivariateFunction self) -> unsigned int"""
4425 return _IMP_isd.BivariateFunction_get_ndims_y(self)
4427 def get_number_of_particles(self):
4428 r"""get_number_of_particles(BivariateFunction self) -> unsigned int"""
4429 return _IMP_isd.BivariateFunction_get_number_of_particles(self)
4431 def get_particle_is_optimized(self, particle_no):
4432 r"""get_particle_is_optimized(BivariateFunction self, unsigned int particle_no) -> bool"""
4433 return _IMP_isd.BivariateFunction_get_particle_is_optimized(self, particle_no)
4435 def get_number_of_optimized_particles(self):
4436 r"""get_number_of_optimized_particles(BivariateFunction self) -> unsigned int"""
4437 return _IMP_isd.BivariateFunction_get_number_of_optimized_particles(self)
4440 r"""get_inputs(BivariateFunction self) -> IMP::ModelObjectsTemp"""
4441 return _IMP_isd.BivariateFunction_get_inputs(self)
4442 __swig_destroy__ = _IMP_isd.delete_BivariateFunction
4445 r"""__str__(BivariateFunction self) -> std::string"""
4446 return _IMP_isd.BivariateFunction___str__(self)
4449 r"""__repr__(BivariateFunction self) -> std::string"""
4450 return _IMP_isd.BivariateFunction___repr__(self)
4454 return _object_cast_to_BivariateFunction(o)
4458 _IMP_isd.BivariateFunction_swigregister(BivariateFunction)
4459 class Covariance1DFunction(BivariateFunction):
4460 r"""Proxy of C++ IMP::isd::Covariance1DFunction class."""
4462 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4464 def __init__(self, tau, ilambda, alpha=2.0, jitter=0.0, cutoff=1e-7):
4465 r"""__init__(Covariance1DFunction self, Particle tau, Particle ilambda, double alpha=2.0, double jitter=0.0, double cutoff=1e-7) -> Covariance1DFunction"""
4466 _IMP_isd.Covariance1DFunction_swiginit(self, _IMP_isd.new_Covariance1DFunction(tau, ilambda, alpha, jitter, cutoff))
4468 def __call__(self, *args):
4470 __call__(Covariance1DFunction self, IMP::Floats const & x1, IMP::Floats const & x2) -> IMP::Floats
4471 __call__(Covariance1DFunction self, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4472 __call__(Covariance1DFunction self, IMP::FloatsList const & xlist, bool arg3) -> IMP::FloatsList
4474 return _IMP_isd.Covariance1DFunction___call__(self, *args)
4476 def get_derivative_matrix(self, *args):
4478 get_derivative_matrix(Covariance1DFunction self, unsigned int particle_no, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4479 get_derivative_matrix(Covariance1DFunction self, unsigned int particle_no, IMP::FloatsList const & xlist, bool arg4) -> IMP::FloatsList
4481 return _IMP_isd.Covariance1DFunction_get_derivative_matrix(self, *args)
4483 def get_second_derivative_matrix(self, *args):
4485 get_second_derivative_matrix(Covariance1DFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist) -> Eigen::MatrixXd
4486 get_second_derivative_matrix(Covariance1DFunction self, unsigned int particle_a, unsigned int particle_b, IMP::FloatsList const & xlist, bool arg5) -> IMP::FloatsList
4488 return _IMP_isd.Covariance1DFunction_get_second_derivative_matrix(self, *args)
4491 r"""get_version_info(Covariance1DFunction self) -> VersionInfo"""
4492 return _IMP_isd.Covariance1DFunction_get_version_info(self)
4493 __swig_destroy__ = _IMP_isd.delete_Covariance1DFunction
4496 r"""__str__(Covariance1DFunction self) -> std::string"""
4497 return _IMP_isd.Covariance1DFunction___str__(self)
4500 r"""__repr__(Covariance1DFunction self) -> std::string"""
4501 return _IMP_isd.Covariance1DFunction___repr__(self)
4505 return _object_cast_to_Covariance1DFunction(o)
4509 _IMP_isd.Covariance1DFunction_swigregister(Covariance1DFunction)
4510 class GaussianProcessInterpolation(
IMP.Object):
4511 r"""Proxy of C++ IMP::isd::GaussianProcessInterpolation class."""
4513 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4515 def __init__(self, x, sample_mean, sample_std, n_obs, mean_function, covariance_function, sigma, sparse_cutoff=1e-7):
4516 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"""
4517 _IMP_isd.GaussianProcessInterpolation_swiginit(self, _IMP_isd.new_GaussianProcessInterpolation(x, sample_mean, sample_std, n_obs, mean_function, covariance_function, sigma, sparse_cutoff))
4519 def get_posterior_mean(self, x):
4520 r"""get_posterior_mean(GaussianProcessInterpolation self, IMP::Floats x) -> double"""
4521 return _IMP_isd.GaussianProcessInterpolation_get_posterior_mean(self, x)
4523 def get_posterior_covariance(self, x1, x2):
4524 r"""get_posterior_covariance(GaussianProcessInterpolation self, IMP::Floats x1, IMP::Floats x2) -> double"""
4525 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance(self, x1, x2)
4527 def get_posterior_covariance_matrix(self, x, arg3):
4528 r"""get_posterior_covariance_matrix(GaussianProcessInterpolation self, IMP::FloatsList x, bool arg3) -> IMP::FloatsList"""
4529 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance_matrix(self, x, arg3)
4531 def get_posterior_covariance_derivative(self, x, arg3):
4532 r"""get_posterior_covariance_derivative(GaussianProcessInterpolation self, IMP::Floats x, bool arg3) -> IMP::Floats"""
4533 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance_derivative(self, x, arg3)
4535 def get_posterior_covariance_hessian(self, x, arg3):
4536 r"""get_posterior_covariance_hessian(GaussianProcessInterpolation self, IMP::Floats x, bool arg3) -> IMP::FloatsList"""
4537 return _IMP_isd.GaussianProcessInterpolation_get_posterior_covariance_hessian(self, x, arg3)
4540 r"""get_inputs(GaussianProcessInterpolation self) -> IMP::ModelObjectsTemp"""
4541 return _IMP_isd.GaussianProcessInterpolation_get_inputs(self)
4543 def force_mean_update(self):
4544 r"""force_mean_update(GaussianProcessInterpolation self)"""
4545 return _IMP_isd.GaussianProcessInterpolation_force_mean_update(self)
4547 def force_covariance_update(self):
4548 r"""force_covariance_update(GaussianProcessInterpolation self)"""
4549 return _IMP_isd.GaussianProcessInterpolation_force_covariance_update(self)
4551 def get_number_of_m_particles(self):
4552 r"""get_number_of_m_particles(GaussianProcessInterpolation self) -> unsigned int"""
4553 return _IMP_isd.GaussianProcessInterpolation_get_number_of_m_particles(self)
4555 def get_m_particle_is_optimized(self, i):
4556 r"""get_m_particle_is_optimized(GaussianProcessInterpolation self, unsigned int i) -> bool"""
4557 return _IMP_isd.GaussianProcessInterpolation_get_m_particle_is_optimized(self, i)
4559 def get_number_of_Omega_particles(self):
4560 r"""get_number_of_Omega_particles(GaussianProcessInterpolation self) -> unsigned int"""
4561 return _IMP_isd.GaussianProcessInterpolation_get_number_of_Omega_particles(self)
4563 def get_Omega_particle_is_optimized(self, i):
4564 r"""get_Omega_particle_is_optimized(GaussianProcessInterpolation self, unsigned int i) -> bool"""
4565 return _IMP_isd.GaussianProcessInterpolation_get_Omega_particle_is_optimized(self, i)
4567 def get_data_abscissa(self):
4568 r"""get_data_abscissa(GaussianProcessInterpolation self) -> IMP::FloatsList"""
4569 return _IMP_isd.GaussianProcessInterpolation_get_data_abscissa(self)
4571 def get_data_mean(self):
4572 r"""get_data_mean(GaussianProcessInterpolation self) -> IMP::Floats"""
4573 return _IMP_isd.GaussianProcessInterpolation_get_data_mean(self)
4575 def get_data_variance(self):
4576 r"""get_data_variance(GaussianProcessInterpolation self) -> IMP::FloatsList"""
4577 return _IMP_isd.GaussianProcessInterpolation_get_data_variance(self)
4580 r"""get_version_info(GaussianProcessInterpolation self) -> VersionInfo"""
4581 return _IMP_isd.GaussianProcessInterpolation_get_version_info(self)
4582 __swig_destroy__ = _IMP_isd.delete_GaussianProcessInterpolation
4585 r"""__str__(GaussianProcessInterpolation self) -> std::string"""
4586 return _IMP_isd.GaussianProcessInterpolation___str__(self)
4589 r"""__repr__(GaussianProcessInterpolation self) -> std::string"""
4590 return _IMP_isd.GaussianProcessInterpolation___repr__(self)
4594 return _object_cast_to_GaussianProcessInterpolation(o)
4598 _IMP_isd.GaussianProcessInterpolation_swigregister(GaussianProcessInterpolation)
4600 r"""Proxy of C++ IMP::isd::GaussianProcessInterpolationRestraint class."""
4602 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4604 def __init__(self, m, gpi):
4605 r"""__init__(GaussianProcessInterpolationRestraint self, Model m, GaussianProcessInterpolation gpi) -> GaussianProcessInterpolationRestraint"""
4606 _IMP_isd.GaussianProcessInterpolationRestraint_swiginit(self, _IMP_isd.new_GaussianProcessInterpolationRestraint(m, gpi))
4608 def get_probability(self):
4609 r"""get_probability(GaussianProcessInterpolationRestraint self) -> double"""
4610 return _IMP_isd.GaussianProcessInterpolationRestraint_get_probability(self)
4612 def set_use_cg(self, use, tol):
4613 r"""set_use_cg(GaussianProcessInterpolationRestraint self, bool use, double tol)"""
4614 return _IMP_isd.GaussianProcessInterpolationRestraint_set_use_cg(self, use, tol)
4616 def get_minus_log_normalization(self):
4617 r"""get_minus_log_normalization(GaussianProcessInterpolationRestraint self) -> double"""
4618 return _IMP_isd.GaussianProcessInterpolationRestraint_get_minus_log_normalization(self)
4620 def get_minus_exponent(self):
4621 r"""get_minus_exponent(GaussianProcessInterpolationRestraint self) -> double"""
4622 return _IMP_isd.GaussianProcessInterpolationRestraint_get_minus_exponent(self)
4624 def get_logdet_hessian(self):
4625 r"""get_logdet_hessian(GaussianProcessInterpolationRestraint self) -> double"""
4626 return _IMP_isd.GaussianProcessInterpolationRestraint_get_logdet_hessian(self)
4628 def get_hessian(self, *args):
4630 get_hessian(GaussianProcessInterpolationRestraint self) -> Eigen::MatrixXd
4631 get_hessian(GaussianProcessInterpolationRestraint self, bool unused) -> IMP::FloatsList
4633 return _IMP_isd.GaussianProcessInterpolationRestraint_get_hessian(self, *args)
4636 r"""do_get_inputs(GaussianProcessInterpolationRestraint self) -> IMP::ModelObjectsTemp"""
4637 return _IMP_isd.GaussianProcessInterpolationRestraint_do_get_inputs(self)
4640 r"""get_version_info(GaussianProcessInterpolationRestraint self) -> VersionInfo"""
4641 return _IMP_isd.GaussianProcessInterpolationRestraint_get_version_info(self)
4642 __swig_destroy__ = _IMP_isd.delete_GaussianProcessInterpolationRestraint
4645 r"""__str__(GaussianProcessInterpolationRestraint self) -> std::string"""
4646 return _IMP_isd.GaussianProcessInterpolationRestraint___str__(self)
4649 r"""__repr__(GaussianProcessInterpolationRestraint self) -> std::string"""
4650 return _IMP_isd.GaussianProcessInterpolationRestraint___repr__(self)
4654 return _object_cast_to_GaussianProcessInterpolationRestraint(o)
4658 _IMP_isd.GaussianProcessInterpolationRestraint_swigregister(GaussianProcessInterpolationRestraint)
4660 r"""Proxy of C++ IMP::isd::MolecularDynamics class."""
4662 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4664 def __init__(self, m=None):
4665 r"""__init__(MolecularDynamics self, Model m=None) -> MolecularDynamics"""
4666 _IMP_isd.MolecularDynamics_swiginit(self, _IMP_isd.new_MolecularDynamics(m))
4669 r"""__str__(MolecularDynamics self) -> std::string"""
4670 return _IMP_isd.MolecularDynamics___str__(self)
4673 r"""__repr__(MolecularDynamics self) -> std::string"""
4674 return _IMP_isd.MolecularDynamics___repr__(self)
4678 return _object_cast_to_MolecularDynamics(o)
4680 __swig_destroy__ = _IMP_isd.delete_MolecularDynamics
4683 _IMP_isd.MolecularDynamics_swigregister(MolecularDynamics)
4685 r"""Proxy of C++ IMP::isd::MolecularDynamicsMover class."""
4687 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4689 def __init__(self, m, nsteps=100, timestep=1.):
4690 r"""__init__(MolecularDynamicsMover self, Model m, unsigned int nsteps=100, IMP::Float timestep=1.) -> MolecularDynamicsMover"""
4691 _IMP_isd.MolecularDynamicsMover_swiginit(self, _IMP_isd.new_MolecularDynamicsMover(m, nsteps, timestep))
4694 r"""get_md(MolecularDynamicsMover self) -> MolecularDynamics"""
4695 return _IMP_isd.MolecularDynamicsMover_get_md(self)
4697 def get_number_of_md_steps(self):
4698 r"""get_number_of_md_steps(MolecularDynamicsMover self) -> unsigned int"""
4699 return _IMP_isd.MolecularDynamicsMover_get_number_of_md_steps(self)
4701 def set_number_of_md_steps(self, nsteps):
4702 r"""set_number_of_md_steps(MolecularDynamicsMover self, unsigned int nsteps)"""
4703 return _IMP_isd.MolecularDynamicsMover_set_number_of_md_steps(self, nsteps)
4706 r"""get_version_info(MolecularDynamicsMover self) -> VersionInfo"""
4707 return _IMP_isd.MolecularDynamicsMover_get_version_info(self)
4708 __swig_destroy__ = _IMP_isd.delete_MolecularDynamicsMover
4711 r"""__str__(MolecularDynamicsMover self) -> std::string"""
4712 return _IMP_isd.MolecularDynamicsMover___str__(self)
4715 r"""__repr__(MolecularDynamicsMover self) -> std::string"""
4716 return _IMP_isd.MolecularDynamicsMover___repr__(self)
4720 return _object_cast_to_MolecularDynamicsMover(o)
4724 _IMP_isd.MolecularDynamicsMover_swigregister(MolecularDynamicsMover)
4726 r"""Proxy of C++ IMP::isd::HybridMonteCarlo class."""
4728 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4730 def __init__(self, m, kT=1.0, steps=100, timestep=1.0, persistence=1):
4731 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"""
4732 _IMP_isd.HybridMonteCarlo_swiginit(self, _IMP_isd.new_HybridMonteCarlo(m, kT, steps, timestep, persistence))
4734 def get_kinetic_energy(self):
4735 r"""get_kinetic_energy(HybridMonteCarlo self) -> IMP::Float"""
4736 return _IMP_isd.HybridMonteCarlo_get_kinetic_energy(self)
4738 def get_potential_energy(self):
4739 r"""get_potential_energy(HybridMonteCarlo self) -> IMP::Float"""
4740 return _IMP_isd.HybridMonteCarlo_get_potential_energy(self)
4742 def get_total_energy(self):
4743 r"""get_total_energy(HybridMonteCarlo self) -> IMP::Float"""
4744 return _IMP_isd.HybridMonteCarlo_get_total_energy(self)
4746 def set_timestep(self, ts):
4747 r"""set_timestep(HybridMonteCarlo self, IMP::Float ts)"""
4748 return _IMP_isd.HybridMonteCarlo_set_timestep(self, ts)
4750 def get_timestep(self):
4751 r"""get_timestep(HybridMonteCarlo self) -> double"""
4752 return _IMP_isd.HybridMonteCarlo_get_timestep(self)
4754 def set_number_of_md_steps(self, nsteps):
4755 r"""set_number_of_md_steps(HybridMonteCarlo self, unsigned int nsteps)"""
4756 return _IMP_isd.HybridMonteCarlo_set_number_of_md_steps(self, nsteps)
4758 def get_number_of_md_steps(self):
4759 r"""get_number_of_md_steps(HybridMonteCarlo self) -> unsigned int"""
4760 return _IMP_isd.HybridMonteCarlo_get_number_of_md_steps(self)
4762 def set_persistence(self, persistence=1):
4763 r"""set_persistence(HybridMonteCarlo self, unsigned int persistence=1)"""
4764 return _IMP_isd.HybridMonteCarlo_set_persistence(self, persistence)
4766 def get_persistence(self):
4767 r"""get_persistence(HybridMonteCarlo self) -> unsigned int"""
4768 return _IMP_isd.HybridMonteCarlo_get_persistence(self)
4771 r"""get_md(HybridMonteCarlo self) -> MolecularDynamics"""
4772 return _IMP_isd.HybridMonteCarlo_get_md(self)
4774 def do_evaluate(self, arg2, arg3):
4775 r"""do_evaluate(HybridMonteCarlo self, IMP::ParticleIndexes const & arg2, bool arg3) -> double"""
4776 return _IMP_isd.HybridMonteCarlo_do_evaluate(self, arg2, arg3)
4779 r"""do_step(HybridMonteCarlo self)"""
4780 return _IMP_isd.HybridMonteCarlo_do_step(self)
4781 __swig_destroy__ = _IMP_isd.delete_HybridMonteCarlo
4784 r"""__str__(HybridMonteCarlo self) -> std::string"""
4785 return _IMP_isd.HybridMonteCarlo___str__(self)
4788 r"""__repr__(HybridMonteCarlo self) -> std::string"""
4789 return _IMP_isd.HybridMonteCarlo___repr__(self)
4793 return _object_cast_to_HybridMonteCarlo(o)
4797 _IMP_isd.HybridMonteCarlo_swigregister(HybridMonteCarlo)
4799 r"""Proxy of C++ IMP::isd::FretData class."""
4801 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4803 def __init__(self, *args):
4805 __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
4806 __init__(FretData self) -> FretData
4808 _IMP_isd.FretData_swiginit(self, _IMP_isd.new_FretData(*args))
4810 def get_closest(self, vec, value):
4811 r"""get_closest(FretData self, DistBase vec, double value) -> int"""
4812 return _IMP_isd.FretData_get_closest(self, vec, value)
4814 def get_probability(self, distn, dist, sigma):
4815 r"""get_probability(FretData self, IMP::Float distn, IMP::Float dist, IMP::Float sigma) -> IMP::Float"""
4816 return _IMP_isd.FretData_get_probability(self, distn, dist, sigma)
4818 def get_kernel(self, dist, R0):
4819 r"""get_kernel(FretData self, IMP::Float dist, IMP::Float R0) -> IMP::Float"""
4820 return _IMP_isd.FretData_get_kernel(self, dist, R0)
4822 def get_marginal_element(self, d_term, d_center, sigma):
4823 r"""get_marginal_element(FretData self, IMP::Float d_term, IMP::Float d_center, IMP::Float sigma) -> IMP::FloatPair"""
4824 return _IMP_isd.FretData_get_marginal_element(self, d_term, d_center, sigma)
4827 r"""get_version_info(FretData self) -> VersionInfo"""
4828 return _IMP_isd.FretData_get_version_info(self)
4829 __swig_destroy__ = _IMP_isd.delete_FretData
4832 r"""__str__(FretData self) -> std::string"""
4833 return _IMP_isd.FretData___str__(self)
4836 r"""__repr__(FretData self) -> std::string"""
4837 return _IMP_isd.FretData___repr__(self)
4841 return _object_cast_to_FretData(o)
4844 def _get_as_binary(self):
4845 r"""_get_as_binary(FretData self) -> PyObject *"""
4846 return _IMP_isd.FretData__get_as_binary(self)
4848 def _set_from_binary(self, p):
4849 r"""_set_from_binary(FretData self, PyObject * p)"""
4850 return _IMP_isd.FretData__set_from_binary(self, p)
4852 def __getstate__(self):
4853 p = self._get_as_binary()
4854 if len(self.__dict__) > 1:
4855 d = self.__dict__.copy()
4860 def __setstate__(self, p):
4861 if not hasattr(self,
'this'):
4863 if isinstance(p, tuple):
4865 self.__dict__.update(d)
4866 return self._set_from_binary(p)
4870 _IMP_isd.FretData_swigregister(FretData)
4872 r"""Proxy of C++ IMP::isd::FretRestraint class."""
4874 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4876 def __init__(self, *args):
4878 __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
4879 __init__(FretRestraint self, Particle kda, Particle Ida, Particle sumFi, Particle sigma0, Particle Pbl, double fexp) -> FretRestraint
4880 __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
4881 __init__(FretRestraint self) -> FretRestraint
4883 _IMP_isd.FretRestraint_swiginit(self, _IMP_isd.new_FretRestraint(*args))
4885 def get_sumFi(self):
4886 r"""get_sumFi(FretRestraint self) -> double"""
4887 return _IMP_isd.FretRestraint_get_sumFi(self)
4889 def get_average_sigma(self, fmod):
4890 r"""get_average_sigma(FretRestraint self, double fmod) -> double"""
4891 return _IMP_isd.FretRestraint_get_average_sigma(self, fmod)
4893 def get_standard_error(self):
4894 r"""get_standard_error(FretRestraint self) -> double"""
4895 return _IMP_isd.FretRestraint_get_standard_error(self)
4897 def get_model_fretr(self):
4898 r"""get_model_fretr(FretRestraint self) -> double"""
4899 return _IMP_isd.FretRestraint_get_model_fretr(self)
4901 def get_probability(self):
4902 r"""get_probability(FretRestraint self) -> double"""
4903 return _IMP_isd.FretRestraint_get_probability(self)
4905 def get_experimental_value(self):
4906 r"""get_experimental_value(FretRestraint self) -> double"""
4907 return _IMP_isd.FretRestraint_get_experimental_value(self)
4909 def set_experimental_value(self, fexp):
4910 r"""set_experimental_value(FretRestraint self, double fexp)"""
4911 return _IMP_isd.FretRestraint_set_experimental_value(self, fexp)
4914 r"""do_get_inputs(FretRestraint self) -> IMP::ModelObjectsTemp"""
4915 return _IMP_isd.FretRestraint_do_get_inputs(self)
4918 r"""get_version_info(FretRestraint self) -> VersionInfo"""
4919 return _IMP_isd.FretRestraint_get_version_info(self)
4920 __swig_destroy__ = _IMP_isd.delete_FretRestraint
4923 r"""__str__(FretRestraint self) -> std::string"""
4924 return _IMP_isd.FretRestraint___str__(self)
4927 r"""__repr__(FretRestraint self) -> std::string"""
4928 return _IMP_isd.FretRestraint___repr__(self)
4932 return _object_cast_to_FretRestraint(o)
4935 def _get_as_binary(self):
4936 r"""_get_as_binary(FretRestraint self) -> PyObject *"""
4937 return _IMP_isd.FretRestraint__get_as_binary(self)
4939 def _set_from_binary(self, p):
4940 r"""_set_from_binary(FretRestraint self, PyObject * p)"""
4941 return _IMP_isd.FretRestraint__set_from_binary(self, p)
4943 def __getstate__(self):
4944 p = self._get_as_binary()
4945 if len(self.__dict__) > 1:
4946 d = self.__dict__.copy()
4951 def __setstate__(self, p):
4952 if not hasattr(self,
'this'):
4954 if isinstance(p, tuple):
4956 self.__dict__.update(d)
4957 return self._set_from_binary(p)
4961 _IMP_isd.FretRestraint_swigregister(FretRestraint)
4963 r"""Proxy of C++ IMP::isd::CysteineCrossLinkData class."""
4965 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
4967 def __init__(self, *args):
4969 __init__(CysteineCrossLinkData self, double fexp, IMP::Floats fmod_grid, IMP::Floats omega_grid, IMP::Floats omega0_grid, int prior_type=3) -> CysteineCrossLinkData
4970 __init__(CysteineCrossLinkData self) -> CysteineCrossLinkData
4972 _IMP_isd.CysteineCrossLinkData_swiginit(self, _IMP_isd.new_CysteineCrossLinkData(*args))
4974 def get_closest(self, vec, value):
4975 r"""get_closest(CysteineCrossLinkData self, DistBase vec, double value) -> int"""
4976 return _IMP_isd.CysteineCrossLinkData_get_closest(self, vec, value)
4978 def get_omegas(self, fmods, omega0):
4979 r"""get_omegas(CysteineCrossLinkData self, IMP::Floats fmods, double omega0) -> IMP::Floats"""
4980 return _IMP_isd.CysteineCrossLinkData_get_omegas(self, fmods, omega0)
4982 def get_nonmarginal_elements(self, fexp, fmods, omega):
4983 r"""get_nonmarginal_elements(CysteineCrossLinkData self, double fexp, IMP::Floats fmods, double omega) -> IMP::Floats"""
4984 return _IMP_isd.CysteineCrossLinkData_get_nonmarginal_elements(self, fexp, fmods, omega)
4986 def get_marginal_elements(self, fmods, omega0):
4987 r"""get_marginal_elements(CysteineCrossLinkData self, IMP::Floats fmods, double omega0) -> IMP::Floats"""
4988 return _IMP_isd.CysteineCrossLinkData_get_marginal_elements(self, fmods, omega0)
4990 def get_omega(self, fmod, omega0):
4991 r"""get_omega(CysteineCrossLinkData self, double fmod, double omega0) -> double"""
4992 return _IMP_isd.CysteineCrossLinkData_get_omega(self, fmod, omega0)
4994 def get_standard_deviation(self, fmod, omega0):
4995 r"""get_standard_deviation(CysteineCrossLinkData self, double fmod, double omega0) -> double"""
4996 return _IMP_isd.CysteineCrossLinkData_get_standard_deviation(self, fmod, omega0)
4998 def get_nonmarginal_element(self, fexp, fmod, omega):
4999 r"""get_nonmarginal_element(CysteineCrossLinkData self, double fexp, double fmod, double omega) -> double"""
5000 return _IMP_isd.CysteineCrossLinkData_get_nonmarginal_element(self, fexp, fmod, omega)
5002 def get_marginal_element(self, fmod, omega0):
5003 r"""get_marginal_element(CysteineCrossLinkData self, double fmod, double omega0) -> double"""
5004 return _IMP_isd.CysteineCrossLinkData_get_marginal_element(self, fmod, omega0)
5007 r"""get_version_info(CysteineCrossLinkData self) -> VersionInfo"""
5008 return _IMP_isd.CysteineCrossLinkData_get_version_info(self)
5009 __swig_destroy__ = _IMP_isd.delete_CysteineCrossLinkData
5012 r"""__str__(CysteineCrossLinkData self) -> std::string"""
5013 return _IMP_isd.CysteineCrossLinkData___str__(self)
5016 r"""__repr__(CysteineCrossLinkData self) -> std::string"""
5017 return _IMP_isd.CysteineCrossLinkData___repr__(self)
5021 return _object_cast_to_CysteineCrossLinkData(o)
5024 def _get_as_binary(self):
5025 r"""_get_as_binary(CysteineCrossLinkData self) -> PyObject *"""
5026 return _IMP_isd.CysteineCrossLinkData__get_as_binary(self)
5028 def _set_from_binary(self, p):
5029 r"""_set_from_binary(CysteineCrossLinkData self, PyObject * p)"""
5030 return _IMP_isd.CysteineCrossLinkData__set_from_binary(self, p)
5032 def __getstate__(self):
5033 p = self._get_as_binary()
5034 if len(self.__dict__) > 1:
5035 d = self.__dict__.copy()
5040 def __setstate__(self, p):
5041 if not hasattr(self,
'this'):
5043 if isinstance(p, tuple):
5045 self.__dict__.update(d)
5046 return self._set_from_binary(p)
5050 _IMP_isd.CysteineCrossLinkData_swigregister(CysteineCrossLinkData)
5052 r"""Proxy of C++ IMP::isd::CrossLinkData class."""
5054 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5056 def __init__(self, *args):
5058 __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
5059 __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
5060 __init__(CrossLinkData self) -> CrossLinkData
5062 _IMP_isd.CrossLinkData_swiginit(self, _IMP_isd.new_CrossLinkData(*args))
5064 def get_closest(self, vec, value):
5065 r"""get_closest(CrossLinkData self, DistBase vec, double value) -> int"""
5066 return _IMP_isd.CrossLinkData_get_closest(self, vec, value)
5068 def get_omegas(self, sigma, dists):
5069 r"""get_omegas(CrossLinkData self, double sigma, IMP::Floats dists) -> IMP::Floats"""
5070 return _IMP_isd.CrossLinkData_get_omegas(self, sigma, dists)
5072 def get_omega_prior(self, omega, omega0):
5073 r"""get_omega_prior(CrossLinkData self, double omega, double omega0) -> double"""
5074 return _IMP_isd.CrossLinkData_get_omega_prior(self, omega, omega0)
5076 def get_nonmarginal_elements(self, sigmai, dists):
5077 r"""get_nonmarginal_elements(CrossLinkData self, double sigmai, IMP::Floats dists) -> IMP::Floats"""
5078 return _IMP_isd.CrossLinkData_get_nonmarginal_elements(self, sigmai, dists)
5080 def get_marginal_elements(self, sigma, dists):
5081 r"""get_marginal_elements(CrossLinkData self, double sigma, IMP::Floats dists) -> IMP::Floats"""
5082 return _IMP_isd.CrossLinkData_get_marginal_elements(self, sigma, dists)
5084 def get_marginal_maximum(self, *args):
5086 get_marginal_maximum(CrossLinkData self, double sigma) -> double
5087 get_marginal_maximum(CrossLinkData self) -> double
5089 return _IMP_isd.CrossLinkData_get_marginal_maximum(self, *args)
5092 r"""get_version_info(CrossLinkData self) -> VersionInfo"""
5093 return _IMP_isd.CrossLinkData_get_version_info(self)
5094 __swig_destroy__ = _IMP_isd.delete_CrossLinkData
5097 r"""__str__(CrossLinkData self) -> std::string"""
5098 return _IMP_isd.CrossLinkData___str__(self)
5101 r"""__repr__(CrossLinkData self) -> std::string"""
5102 return _IMP_isd.CrossLinkData___repr__(self)
5106 return _object_cast_to_CrossLinkData(o)
5109 def _get_as_binary(self):
5110 r"""_get_as_binary(CrossLinkData self) -> PyObject *"""
5111 return _IMP_isd.CrossLinkData__get_as_binary(self)
5113 def _set_from_binary(self, p):
5114 r"""_set_from_binary(CrossLinkData self, PyObject * p)"""
5115 return _IMP_isd.CrossLinkData__set_from_binary(self, p)
5117 def __getstate__(self):
5118 p = self._get_as_binary()
5119 if len(self.__dict__) > 1:
5120 d = self.__dict__.copy()
5125 def __setstate__(self, p):
5126 if not hasattr(self,
'this'):
5128 if isinstance(p, tuple):
5130 self.__dict__.update(d)
5131 return self._set_from_binary(p)
5135 _IMP_isd.CrossLinkData_swigregister(CrossLinkData)
5137 r"""Proxy of C++ IMP::isd::CysteineCrossLinkRestraint class."""
5139 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5141 def __init__(self, *args):
5143 __init__(CysteineCrossLinkRestraint self, Model m, _ParticleIndexAdaptor beta, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor epsilon, _ParticleIndexAdaptor weight, CrossLinkData data, double fexp) -> CysteineCrossLinkRestraint
5144 __init__(CysteineCrossLinkRestraint self, Model m, _ParticleIndexAdaptor beta, _ParticleIndexAdaptor sigma, _ParticleIndexAdaptor epsilon, _ParticleIndexAdaptor weight, CrossLinkData data, CysteineCrossLinkData ccldata) -> CysteineCrossLinkRestraint
5145 __init__(CysteineCrossLinkRestraint self) -> CysteineCrossLinkRestraint
5147 _IMP_isd.CysteineCrossLinkRestraint_swiginit(self, _IMP_isd.new_CysteineCrossLinkRestraint(*args))
5149 def get_probability(self):
5150 r"""get_probability(CysteineCrossLinkRestraint self) -> double"""
5151 return _IMP_isd.CysteineCrossLinkRestraint_get_probability(self)
5153 def get_standard_error(self):
5154 r"""get_standard_error(CysteineCrossLinkRestraint self) -> double"""
5155 return _IMP_isd.CysteineCrossLinkRestraint_get_standard_error(self)
5157 def get_frequencies(self):
5158 r"""get_frequencies(CysteineCrossLinkRestraint self) -> IMP::Floats"""
5159 return _IMP_isd.CysteineCrossLinkRestraint_get_frequencies(self)
5161 def get_model_frequency(self):
5162 r"""get_model_frequency(CysteineCrossLinkRestraint self) -> double"""
5163 return _IMP_isd.CysteineCrossLinkRestraint_get_model_frequency(self)
5165 def get_distances(self):
5166 r"""get_distances(CysteineCrossLinkRestraint self) -> IMP::Floats"""
5167 return _IMP_isd.CysteineCrossLinkRestraint_get_distances(self)
5169 def get_truncated_normalization(self, mean, sigma):
5170 r"""get_truncated_normalization(CysteineCrossLinkRestraint self, double mean, double sigma) -> double"""
5171 return _IMP_isd.CysteineCrossLinkRestraint_get_truncated_normalization(self, mean, sigma)
5173 def get_normal_pdf(self, mean, sigma, x):
5174 r"""get_normal_pdf(CysteineCrossLinkRestraint self, double mean, double sigma, double x) -> double"""
5175 return _IMP_isd.CysteineCrossLinkRestraint_get_normal_pdf(self, mean, sigma, x)
5177 def add_contribution(self, *args):
5179 add_contribution(CysteineCrossLinkRestraint self, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2)
5180 add_contribution(CysteineCrossLinkRestraint self, IMP::ParticleIndexes p1, IMP::ParticleIndexes p2)
5182 return _IMP_isd.CysteineCrossLinkRestraint_add_contribution(self, *args)
5184 def get_CB_coordinates(self, ps):
5185 r"""get_CB_coordinates(CysteineCrossLinkRestraint self, IMP::ParticleIndexes const & ps) -> Vector3D"""
5186 return _IMP_isd.CysteineCrossLinkRestraint_get_CB_coordinates(self, ps)
5188 def get_number_of_contributions(self):
5189 r"""get_number_of_contributions(CysteineCrossLinkRestraint self) -> unsigned int"""
5190 return _IMP_isd.CysteineCrossLinkRestraint_get_number_of_contributions(self)
5193 r"""do_get_inputs(CysteineCrossLinkRestraint self) -> IMP::ModelObjectsTemp"""
5194 return _IMP_isd.CysteineCrossLinkRestraint_do_get_inputs(self)
5197 r"""get_version_info(CysteineCrossLinkRestraint self) -> VersionInfo"""
5198 return _IMP_isd.CysteineCrossLinkRestraint_get_version_info(self)
5199 __swig_destroy__ = _IMP_isd.delete_CysteineCrossLinkRestraint
5202 r"""__str__(CysteineCrossLinkRestraint self) -> std::string"""
5203 return _IMP_isd.CysteineCrossLinkRestraint___str__(self)
5206 r"""__repr__(CysteineCrossLinkRestraint self) -> std::string"""
5207 return _IMP_isd.CysteineCrossLinkRestraint___repr__(self)
5211 return _object_cast_to_CysteineCrossLinkRestraint(o)
5214 def _get_as_binary(self):
5215 r"""_get_as_binary(CysteineCrossLinkRestraint self) -> PyObject *"""
5216 return _IMP_isd.CysteineCrossLinkRestraint__get_as_binary(self)
5218 def _set_from_binary(self, p):
5219 r"""_set_from_binary(CysteineCrossLinkRestraint self, PyObject * p)"""
5220 return _IMP_isd.CysteineCrossLinkRestraint__set_from_binary(self, p)
5222 def __getstate__(self):
5223 p = self._get_as_binary()
5224 if len(self.__dict__) > 1:
5225 d = self.__dict__.copy()
5230 def __setstate__(self, p):
5231 if not hasattr(self,
'this'):
5233 if isinstance(p, tuple):
5235 self.__dict__.update(d)
5236 return self._set_from_binary(p)
5240 _IMP_isd.CysteineCrossLinkRestraint_swigregister(CysteineCrossLinkRestraint)
5242 r"""Proxy of C++ IMP::isd::WeightMover class."""
5244 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5246 def __init__(self, w, radius):
5247 r"""__init__(WeightMover self, Particle w, IMP::Float radius) -> WeightMover"""
5248 _IMP_isd.WeightMover_swiginit(self, _IMP_isd.new_WeightMover(w, radius))
5250 def set_radius(self, radius):
5251 r"""set_radius(WeightMover self, IMP::Float radius)"""
5252 return _IMP_isd.WeightMover_set_radius(self, radius)
5254 def get_radius(self):
5255 r"""get_radius(WeightMover self) -> IMP::Float"""
5256 return _IMP_isd.WeightMover_get_radius(self)
5259 r"""get_version_info(WeightMover self) -> VersionInfo"""
5260 return _IMP_isd.WeightMover_get_version_info(self)
5261 __swig_destroy__ = _IMP_isd.delete_WeightMover
5264 r"""__str__(WeightMover self) -> std::string"""
5265 return _IMP_isd.WeightMover___str__(self)
5268 r"""__repr__(WeightMover self) -> std::string"""
5269 return _IMP_isd.WeightMover___repr__(self)
5273 return _object_cast_to_WeightMover(o)
5277 _IMP_isd.WeightMover_swigregister(WeightMover)
5279 r"""Proxy of C++ IMP::isd::WeightRestraint class."""
5281 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5283 def __init__(self, w, wmin, wmax, kappa):
5284 r"""__init__(WeightRestraint self, Particle w, IMP::Float wmin, IMP::Float wmax, IMP::Float kappa) -> WeightRestraint"""
5285 _IMP_isd.WeightRestraint_swiginit(self, _IMP_isd.new_WeightRestraint(w, wmin, wmax, kappa))
5288 r"""do_get_inputs(WeightRestraint self) -> IMP::ModelObjectsTemp"""
5289 return _IMP_isd.WeightRestraint_do_get_inputs(self)
5292 r"""get_version_info(WeightRestraint self) -> VersionInfo"""
5293 return _IMP_isd.WeightRestraint_get_version_info(self)
5294 __swig_destroy__ = _IMP_isd.delete_WeightRestraint
5297 r"""__str__(WeightRestraint self) -> std::string"""
5298 return _IMP_isd.WeightRestraint___str__(self)
5301 r"""__repr__(WeightRestraint self) -> std::string"""
5302 return _IMP_isd.WeightRestraint___repr__(self)
5306 return _object_cast_to_WeightRestraint(o)
5310 _IMP_isd.WeightRestraint_swigregister(WeightRestraint)
5312 r"""Proxy of C++ IMP::isd::AtomicCrossLinkMSRestraint class."""
5314 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5316 def __init__(self, *args):
5318 __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
5319 __init__(AtomicCrossLinkMSRestraint self) -> AtomicCrossLinkMSRestraint
5321 _IMP_isd.AtomicCrossLinkMSRestraint_swiginit(self, _IMP_isd.new_AtomicCrossLinkMSRestraint(*args))
5323 def add_contribution(self, ppi, sigmas):
5324 r"""add_contribution(AtomicCrossLinkMSRestraint self, IMP::ParticleIndexPair const & ppi, IMP::ParticleIndexPair const & sigmas)"""
5325 return _IMP_isd.AtomicCrossLinkMSRestraint_add_contribution(self, ppi, sigmas)
5327 def evaluate_for_contributions(self, c, accum):
5328 r"""evaluate_for_contributions(AtomicCrossLinkMSRestraint self, IMP::Ints c, DerivativeAccumulator accum) -> IMP::Float"""
5329 return _IMP_isd.AtomicCrossLinkMSRestraint_evaluate_for_contributions(self, c, accum)
5331 def get_number_of_contributions(self):
5332 r"""get_number_of_contributions(AtomicCrossLinkMSRestraint self) -> unsigned int"""
5333 return _IMP_isd.AtomicCrossLinkMSRestraint_get_number_of_contributions(self)
5335 def get_contribution(self, i):
5336 r"""get_contribution(AtomicCrossLinkMSRestraint self, int i) -> IMP::ParticleIndexPair"""
5337 return _IMP_isd.AtomicCrossLinkMSRestraint_get_contribution(self, i)
5339 def get_contribution_sigmas(self, i):
5340 r"""get_contribution_sigmas(AtomicCrossLinkMSRestraint self, int i) -> IMP::ParticleIndexPair"""
5341 return _IMP_isd.AtomicCrossLinkMSRestraint_get_contribution_sigmas(self, i)
5344 r"""get_psi(AtomicCrossLinkMSRestraint self) -> ParticleIndex"""
5345 return _IMP_isd.AtomicCrossLinkMSRestraint_get_psi(self)
5348 r"""do_get_inputs(AtomicCrossLinkMSRestraint self) -> IMP::ModelObjectsTemp"""
5349 return _IMP_isd.AtomicCrossLinkMSRestraint_do_get_inputs(self)
5351 def show(self, out):
5352 r"""show(AtomicCrossLinkMSRestraint self, _ostream out)"""
5353 return _IMP_isd.AtomicCrossLinkMSRestraint_show(self, out)
5355 def set_slope(self, slope):
5356 r"""set_slope(AtomicCrossLinkMSRestraint self, IMP::Float slope)"""
5357 return _IMP_isd.AtomicCrossLinkMSRestraint_set_slope(self, slope)
5359 def set_part_of_log_score(self, hey):
5360 r"""set_part_of_log_score(AtomicCrossLinkMSRestraint self, bool hey)"""
5361 return _IMP_isd.AtomicCrossLinkMSRestraint_set_part_of_log_score(self, hey)
5364 r"""get_version_info(AtomicCrossLinkMSRestraint self) -> VersionInfo"""
5365 return _IMP_isd.AtomicCrossLinkMSRestraint_get_version_info(self)
5366 __swig_destroy__ = _IMP_isd.delete_AtomicCrossLinkMSRestraint
5369 r"""__str__(AtomicCrossLinkMSRestraint self) -> std::string"""
5370 return _IMP_isd.AtomicCrossLinkMSRestraint___str__(self)
5373 r"""__repr__(AtomicCrossLinkMSRestraint self) -> std::string"""
5374 return _IMP_isd.AtomicCrossLinkMSRestraint___repr__(self)
5378 return _object_cast_to_AtomicCrossLinkMSRestraint(o)
5381 def _get_as_binary(self):
5382 r"""_get_as_binary(AtomicCrossLinkMSRestraint self) -> PyObject *"""
5383 return _IMP_isd.AtomicCrossLinkMSRestraint__get_as_binary(self)
5385 def _set_from_binary(self, p):
5386 r"""_set_from_binary(AtomicCrossLinkMSRestraint self, PyObject * p)"""
5387 return _IMP_isd.AtomicCrossLinkMSRestraint__set_from_binary(self, p)
5389 def __getstate__(self):
5390 p = self._get_as_binary()
5391 if len(self.__dict__) > 1:
5392 d = self.__dict__.copy()
5397 def __setstate__(self, p):
5398 if not hasattr(self,
'this'):
5400 if isinstance(p, tuple):
5402 self.__dict__.update(d)
5403 return self._set_from_binary(p)
5407 _IMP_isd.AtomicCrossLinkMSRestraint_swigregister(AtomicCrossLinkMSRestraint)
5409 r"""Proxy of C++ IMP::isd::GaussianEMRestraint class."""
5411 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5413 def __init__(self, *args):
5415 __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
5416 __init__(GaussianEMRestraint self) -> GaussianEMRestraint
5418 _IMP_isd.GaussianEMRestraint_swiginit(self, _IMP_isd.new_GaussianEMRestraint(*args))
5420 def get_probability(self):
5421 r"""get_probability(GaussianEMRestraint self) -> double"""
5422 return _IMP_isd.GaussianEMRestraint_get_probability(self)
5425 r"""get_cross_correlation_coefficient(GaussianEMRestraint self) -> double"""
5426 return _IMP_isd.GaussianEMRestraint_get_cross_correlation_coefficient(self)
5428 def set_density_filename(self, density_fn):
5429 r"""set_density_filename(GaussianEMRestraint self, std::string density_fn)"""
5430 return _IMP_isd.GaussianEMRestraint_set_density_filename(self, density_fn)
5432 def compute_initial_scores(self):
5433 r"""compute_initial_scores(GaussianEMRestraint self)"""
5434 return _IMP_isd.GaussianEMRestraint_compute_initial_scores(self)
5436 def set_slope(self, s):
5437 r"""set_slope(GaussianEMRestraint self, IMP::Float s)"""
5438 return _IMP_isd.GaussianEMRestraint_set_slope(self, s)
5440 def get_slope(self):
5441 r"""get_slope(GaussianEMRestraint self) -> IMP::Float"""
5442 return _IMP_isd.GaussianEMRestraint_get_slope(self)
5445 r"""do_get_inputs(GaussianEMRestraint self) -> IMP::ModelObjectsTemp"""
5446 return _IMP_isd.GaussianEMRestraint_do_get_inputs(self)
5448 def show(self, out):
5449 r"""show(GaussianEMRestraint self, _ostream out)"""
5450 return _IMP_isd.GaussianEMRestraint_show(self, out)
5453 r"""get_version_info(GaussianEMRestraint self) -> VersionInfo"""
5454 return _IMP_isd.GaussianEMRestraint_get_version_info(self)
5455 __swig_destroy__ = _IMP_isd.delete_GaussianEMRestraint
5458 r"""__str__(GaussianEMRestraint self) -> std::string"""
5459 return _IMP_isd.GaussianEMRestraint___str__(self)
5462 r"""__repr__(GaussianEMRestraint self) -> std::string"""
5463 return _IMP_isd.GaussianEMRestraint___repr__(self)
5467 return _object_cast_to_GaussianEMRestraint(o)
5470 def _get_as_binary(self):
5471 r"""_get_as_binary(GaussianEMRestraint self) -> PyObject *"""
5472 return _IMP_isd.GaussianEMRestraint__get_as_binary(self)
5474 def _set_from_binary(self, p):
5475 r"""_set_from_binary(GaussianEMRestraint self, PyObject * p)"""
5476 return _IMP_isd.GaussianEMRestraint__set_from_binary(self, p)
5478 def __getstate__(self):
5479 p = self._get_as_binary()
5480 if len(self.__dict__) > 1:
5481 d = self.__dict__.copy()
5486 def __setstate__(self, p):
5487 if not hasattr(self,
'this'):
5489 if isinstance(p, tuple):
5491 self.__dict__.update(d)
5492 return self._set_from_binary(p)
5496 _IMP_isd.GaussianEMRestraint_swigregister(GaussianEMRestraint)
5497 class GaussianAnchorEMRestraint(ISDRestraint):
5498 r"""Proxy of C++ IMP::isd::GaussianAnchorEMRestraint class."""
5500 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5502 def __init__(self, *args):
5503 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"""
5504 _IMP_isd.GaussianAnchorEMRestraint_swiginit(self, _IMP_isd.new_GaussianAnchorEMRestraint(*args))
5506 def get_density_particles(self):
5507 r"""get_density_particles(GaussianAnchorEMRestraint self) -> IMP::ParticlesTemp"""
5508 return _IMP_isd.GaussianAnchorEMRestraint_get_density_particles(self)
5509 __swig_destroy__ = _IMP_isd.delete_GaussianAnchorEMRestraint
5512 r"""__str__(GaussianAnchorEMRestraint self) -> std::string"""
5513 return _IMP_isd.GaussianAnchorEMRestraint___str__(self)
5516 r"""__repr__(GaussianAnchorEMRestraint self) -> std::string"""
5517 return _IMP_isd.GaussianAnchorEMRestraint___repr__(self)
5521 return _object_cast_to_GaussianAnchorEMRestraint(o)
5525 _IMP_isd.GaussianAnchorEMRestraint_swigregister(GaussianAnchorEMRestraint)
5527 r"""Proxy of C++ IMP::isd::GammaPrior class."""
5529 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5531 def __init__(self, *args):
5532 r"""__init__(GammaPrior self, Model m, Particle p, IMP::Float k, IMP::Float theta, std::string name="GammaPrior%1%") -> GammaPrior"""
5533 _IMP_isd.GammaPrior_swiginit(self, _IMP_isd.new_GammaPrior(*args))
5535 def evaluate_at(self, val):
5536 r"""evaluate_at(GammaPrior self, IMP::Float val) -> double"""
5537 return _IMP_isd.GammaPrior_evaluate_at(self, val)
5540 r"""do_get_inputs(GammaPrior self) -> IMP::ModelObjectsTemp"""
5541 return _IMP_isd.GammaPrior_do_get_inputs(self)
5544 r"""get_version_info(GammaPrior self) -> VersionInfo"""
5545 return _IMP_isd.GammaPrior_get_version_info(self)
5546 __swig_destroy__ = _IMP_isd.delete_GammaPrior
5548 def get_probability(self):
5549 r"""get_probability(GammaPrior self) -> double"""
5550 return _IMP_isd.GammaPrior_get_probability(self)
5553 r"""__str__(GammaPrior self) -> std::string"""
5554 return _IMP_isd.GammaPrior___str__(self)
5557 r"""__repr__(GammaPrior self) -> std::string"""
5558 return _IMP_isd.GammaPrior___repr__(self)
5562 return _object_cast_to_GammaPrior(o)
5566 _IMP_isd.GammaPrior_swigregister(GammaPrior)
5568 def sample_points_from_density(dmap_orig, npoints, threshold=0.0):
5569 r"""sample_points_from_density(DensityMap dmap_orig, int npoints, IMP::Float threshold=0.0) -> IMP::FloatsList"""
5570 return _IMP_isd.sample_points_from_density(dmap_orig, npoints, threshold)
5572 r"""Proxy of C++ IMP::isd::ResidueProteinProximityRestraint class."""
5574 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
5576 def __init__(self, *args):
5577 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"""
5578 _IMP_isd.ResidueProteinProximityRestraint_swiginit(self, _IMP_isd.new_ResidueProteinProximityRestraint(*args))
5580 def add_pairs_container(self, pc):
5581 r"""add_pairs_container(ResidueProteinProximityRestraint self, PairContainer pc)"""
5582 return _IMP_isd.ResidueProteinProximityRestraint_add_pairs_container(self, pc)
5584 def add_contribution_particles(self, ppis1, ppis2):
5585 r"""add_contribution_particles(ResidueProteinProximityRestraint self, IMP::ParticleIndexes const ppis1, IMP::ParticleIndexes const ppis2)"""
5586 return _IMP_isd.ResidueProteinProximityRestraint_add_contribution_particles(self, ppis1, ppis2)
5588 def evaluate_for_contributions(self, c):
5589 r"""evaluate_for_contributions(ResidueProteinProximityRestraint self, IMP::Ints c) -> double"""
5590 return _IMP_isd.ResidueProteinProximityRestraint_evaluate_for_contributions(self, c)
5592 def get_number_of_contributions(self):
5593 r"""get_number_of_contributions(ResidueProteinProximityRestraint self) -> unsigned int"""
5594 return _IMP_isd.ResidueProteinProximityRestraint_get_number_of_contributions(self)
5596 def set_sigma(self, sigma):
5597 r"""set_sigma(ResidueProteinProximityRestraint self, double sigma)"""
5598 return _IMP_isd.ResidueProteinProximityRestraint_set_sigma(self, sigma)
5600 def set_cutoff(self, cutoff):
5601 r"""set_cutoff(ResidueProteinProximityRestraint self, double cutoff)"""
5602 return _IMP_isd.ResidueProteinProximityRestraint_set_cutoff(self, cutoff)
5604 def set_max_score(self, max_score):
5605 r"""set_max_score(ResidueProteinProximityRestraint self, double max_score)"""
5606 return _IMP_isd.ResidueProteinProximityRestraint_set_max_score(self, max_score)
5608 def set_yi(self, yi):
5609 r"""set_yi(ResidueProteinProximityRestraint self, double yi)"""
5610 return _IMP_isd.ResidueProteinProximityRestraint_set_yi(self, yi)
5612 def set_interpolation_factor(self, interpolation_factor):
5613 r"""set_interpolation_factor(ResidueProteinProximityRestraint self, double interpolation_factor)"""
5614 return _IMP_isd.ResidueProteinProximityRestraint_set_interpolation_factor(self, interpolation_factor)
5616 def set_part_of_log_score(self, hey):
5617 r"""set_part_of_log_score(ResidueProteinProximityRestraint self, bool hey)"""
5618 return _IMP_isd.ResidueProteinProximityRestraint_set_part_of_log_score(self, hey)
5621 r"""do_get_inputs(ResidueProteinProximityRestraint self) -> IMP::ModelObjectsTemp"""
5622 return _IMP_isd.ResidueProteinProximityRestraint_do_get_inputs(self)
5625 r"""get_version_info(ResidueProteinProximityRestraint self) -> VersionInfo"""
5626 return _IMP_isd.ResidueProteinProximityRestraint_get_version_info(self)
5627 __swig_destroy__ = _IMP_isd.delete_ResidueProteinProximityRestraint
5630 r"""__str__(ResidueProteinProximityRestraint self) -> std::string"""
5631 return _IMP_isd.ResidueProteinProximityRestraint___str__(self)
5634 r"""__repr__(ResidueProteinProximityRestraint self) -> std::string"""
5635 return _IMP_isd.ResidueProteinProximityRestraint___repr__(self)
5639 return _object_cast_to_ResidueProteinProximityRestraint(o)
5643 _IMP_isd.ResidueProteinProximityRestraint_swigregister(ResidueProteinProximityRestraint)
5645 def get_module_name():
5646 r"""get_module_name() -> std::string const"""
5647 return _IMP_isd.get_module_name()
5650 r"""get_module_version() -> std::string const"""
5651 return _IMP_isd.get_module_version()
5654 r"""get_example_path(std::string fname) -> std::string"""
5655 return _IMP_isd.get_example_path(fname)
5658 r"""get_data_path(std::string fname) -> std::string"""
5659 return _IMP_isd.get_data_path(fname)
5661 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.