17 import builtins
as __builtin__
21 strthis =
"proxy of " + self.this.__repr__()
22 except __builtin__.Exception:
24 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
27 def _swig_setattr_nondynamic_instance_variable(set):
28 def set_instance_attr(self, name, value):
30 set(self, name, value)
31 elif name ==
"thisown":
33 elif hasattr(self, name)
and isinstance(getattr(type(self), name), property):
34 set(self, name, value)
36 raise AttributeError(
"You cannot add instance attributes to %s" % self)
37 return set_instance_attr
40 def _swig_setattr_nondynamic_class_variable(set):
41 def set_class_attr(cls, name, value):
42 if hasattr(cls, name)
and not isinstance(getattr(cls, name), property):
45 raise AttributeError(
"You cannot add class attributes to %s" % cls)
49 class _SwigNonDynamicMeta(type):
50 """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
51 __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
56 class IMP_MULTIFIT_SwigPyIterator(object):
57 r"""Proxy of C++ swig::IMP_MULTIFIT_SwigPyIterator class."""
59 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
61 def __init__(self, *args, **kwargs):
62 raise AttributeError(
"No constructor defined - class is abstract")
64 __swig_destroy__ = _IMP_multifit.delete_IMP_MULTIFIT_SwigPyIterator
67 r"""value(IMP_MULTIFIT_SwigPyIterator self) -> PyObject *"""
68 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_value(self)
71 r"""incr(IMP_MULTIFIT_SwigPyIterator self, size_t n=1) -> IMP_MULTIFIT_SwigPyIterator"""
72 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_incr(self, n)
75 r"""decr(IMP_MULTIFIT_SwigPyIterator self, size_t n=1) -> IMP_MULTIFIT_SwigPyIterator"""
76 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_decr(self, n)
78 def distance(self, x):
79 r"""distance(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> ptrdiff_t"""
80 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_distance(self, x)
83 r"""equal(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> bool"""
84 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_equal(self, x)
87 r"""copy(IMP_MULTIFIT_SwigPyIterator self) -> IMP_MULTIFIT_SwigPyIterator"""
88 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_copy(self)
91 r"""__next__(IMP_MULTIFIT_SwigPyIterator self) -> PyObject *"""
92 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___next__(self)
95 r"""previous(IMP_MULTIFIT_SwigPyIterator self) -> PyObject *"""
96 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_previous(self)
99 r"""advance(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
100 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_advance(self, n)
103 r"""__eq__(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> bool"""
104 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___eq__(self, x)
107 r"""__ne__(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> bool"""
108 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___ne__(self, x)
110 def __iadd__(self, n):
111 r"""__iadd__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
112 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___iadd__(self, n)
114 def __isub__(self, n):
115 r"""__isub__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
116 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___isub__(self, n)
118 def __add__(self, n):
119 r"""__add__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
120 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___add__(self, n)
122 def __sub__(self, *args):
124 __sub__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator
125 __sub__(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> ptrdiff_t
127 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___sub__(self, *args)
132 _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_swigregister(IMP_MULTIFIT_SwigPyIterator)
139 IMP_DEBUG = _IMP_multifit.IMP_DEBUG
141 IMP_RELEASE = _IMP_multifit.IMP_RELEASE
143 IMP_SILENT = _IMP_multifit.IMP_SILENT
145 IMP_PROGRESS = _IMP_multifit.IMP_PROGRESS
147 IMP_TERSE = _IMP_multifit.IMP_TERSE
149 IMP_VERBOSE = _IMP_multifit.IMP_VERBOSE
151 IMP_MEMORY = _IMP_multifit.IMP_MEMORY
153 IMP_NONE = _IMP_multifit.IMP_NONE
155 IMP_USAGE = _IMP_multifit.IMP_USAGE
157 IMP_INTERNAL = _IMP_multifit.IMP_INTERNAL
159 IMP_KERNEL_HAS_LOG4CXX = _IMP_multifit.IMP_KERNEL_HAS_LOG4CXX
161 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_multifit.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
163 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_multifit.IMP_COMPILER_HAS_DEBUG_VECTOR
165 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_multifit.IMP_COMPILER_HAS_RANDOM_SHUFFLE
167 IMP_COMPILER_HAS_THREE_WAY = _IMP_multifit.IMP_COMPILER_HAS_THREE_WAY
169 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_multifit.IMP_KERNEL_HAS_BOOST_RANDOM
171 IMP_KERNEL_HAS_NUMPY = _IMP_multifit.IMP_KERNEL_HAS_NUMPY
173 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_KERNEL_HAS_BOOST_SYSTEM
175 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_multifit.IMP_KERNEL_HAS_GPERFTOOLS
177 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_multifit.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
179 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_multifit.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
181 IMPKERNEL_SHOW_WARNINGS = _IMP_multifit.IMPKERNEL_SHOW_WARNINGS
185 class _DirectorObjects:
186 """@internal Simple class to keep references to director objects
187 to prevent premature deletion."""
190 def register(self, obj):
191 """Take a reference to a director object; will only work for
192 refcounted C++ classes"""
193 if hasattr(obj,
'get_ref_count'):
194 self._objects.append(obj)
196 """Only drop our reference and allow cleanup by Python if no other
197 Python references exist (we hold 3 references: one in self._objects,
198 one in x, and one in the argument list for getrefcount) *and* no
199 other C++ references exist (the Python object always holds one)"""
200 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
201 or x.get_ref_count() > 1]
205 def get_object_count(self):
206 """Get number of director objects (useful for testing only)"""
207 return len(self._objects)
208 _director_objects = _DirectorObjects()
210 class _ostream(object):
211 r"""Proxy of C++ std::ostream class."""
213 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
215 def __init__(self, *args, **kwargs):
216 raise AttributeError(
"No constructor defined")
217 __repr__ = _swig_repr
219 def write(self, osa_buf):
220 r"""write(_ostream self, char const * osa_buf)"""
221 return _IMP_multifit._ostream_write(self, osa_buf)
224 _IMP_multifit._ostream_swigregister(_ostream)
225 IMP_C_OPEN_BINARY = _IMP_multifit.IMP_C_OPEN_BINARY
228 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_CGAL_HAS_BOOST_FILESYSTEM
230 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
232 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_multifit.IMP_CGAL_HAS_BOOST_RANDOM
234 IMP_CGAL_HAS_NUMPY = _IMP_multifit.IMP_CGAL_HAS_NUMPY
236 IMPCGAL_SHOW_WARNINGS = _IMP_multifit.IMPCGAL_SHOW_WARNINGS
239 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_multifit.IMP_ALGEBRA_HAS_IMP_CGAL
241 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
243 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
245 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_RANDOM
247 IMP_ALGEBRA_HAS_CGAL = _IMP_multifit.IMP_ALGEBRA_HAS_CGAL
249 IMP_ALGEBRA_HAS_NUMPY = _IMP_multifit.IMP_ALGEBRA_HAS_NUMPY
251 IMP_ALGEBRA_HAS_ANN = _IMP_multifit.IMP_ALGEBRA_HAS_ANN
253 IMPALGEBRA_SHOW_WARNINGS = _IMP_multifit.IMPALGEBRA_SHOW_WARNINGS
256 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_multifit.IMP_DISPLAY_HAS_IMP_CGAL
258 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
260 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
262 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_multifit.IMP_DISPLAY_HAS_BOOST_RANDOM
264 IMP_DISPLAY_HAS_CGAL = _IMP_multifit.IMP_DISPLAY_HAS_CGAL
266 IMP_DISPLAY_HAS_NUMPY = _IMP_multifit.IMP_DISPLAY_HAS_NUMPY
268 IMPDISPLAY_SHOW_WARNINGS = _IMP_multifit.IMPDISPLAY_SHOW_WARNINGS
271 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
273 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
275 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
277 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
279 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_CGAL
281 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_HDF5
283 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_NUMPY
285 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_multifit.IMPSCOREFUNCTOR_SHOW_WARNINGS
288 IMP_STATISTICS_HAS_IMP_CGAL = _IMP_multifit.IMP_STATISTICS_HAS_IMP_CGAL
290 IMP_STATISTICS_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_STATISTICS_HAS_BOOST_FILESYSTEM
292 IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS
294 IMP_STATISTICS_HAS_BOOST_RANDOM = _IMP_multifit.IMP_STATISTICS_HAS_BOOST_RANDOM
296 IMP_STATISTICS_HAS_CGAL = _IMP_multifit.IMP_STATISTICS_HAS_CGAL
298 IMP_STATISTICS_HAS_NUMPY = _IMP_multifit.IMP_STATISTICS_HAS_NUMPY
300 IMPSTATISTICS_SHOW_WARNINGS = _IMP_multifit.IMPSTATISTICS_SHOW_WARNINGS
303 IMP_CORE_HAS_IMP_CGAL = _IMP_multifit.IMP_CORE_HAS_IMP_CGAL
305 IMP_CORE_HAS_IMP_KERNEL = _IMP_multifit.IMP_CORE_HAS_IMP_KERNEL
307 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_CORE_HAS_BOOST_FILESYSTEM
309 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
311 IMP_CORE_HAS_BOOST_RANDOM = _IMP_multifit.IMP_CORE_HAS_BOOST_RANDOM
313 IMP_CORE_HAS_CGAL = _IMP_multifit.IMP_CORE_HAS_CGAL
315 IMP_CORE_HAS_HDF5 = _IMP_multifit.IMP_CORE_HAS_HDF5
317 IMP_CORE_HAS_NUMPY = _IMP_multifit.IMP_CORE_HAS_NUMPY
319 IMPCORE_SHOW_WARNINGS = _IMP_multifit.IMPCORE_SHOW_WARNINGS
322 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_multifit.IMP_CONTAINER_HAS_IMP_ALGEBRA
324 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_multifit.IMP_CONTAINER_HAS_IMP_CGAL
326 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_multifit.IMP_CONTAINER_HAS_IMP_DISPLAY
328 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_multifit.IMP_CONTAINER_HAS_IMP_KERNEL
330 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
332 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
334 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
336 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_multifit.IMP_CONTAINER_HAS_BOOST_RANDOM
338 IMP_CONTAINER_HAS_CGAL = _IMP_multifit.IMP_CONTAINER_HAS_CGAL
340 IMP_CONTAINER_HAS_HDF5 = _IMP_multifit.IMP_CONTAINER_HAS_HDF5
342 IMP_CONTAINER_HAS_NUMPY = _IMP_multifit.IMP_CONTAINER_HAS_NUMPY
344 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_multifit.IMP_CONTAINER_HAS_PYTHON_IHM
346 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_multifit.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
348 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_multifit.IMP_CONTAINER_HAS_ROBIN_MAP
350 IMPCONTAINER_SHOW_WARNINGS = _IMP_multifit.IMPCONTAINER_SHOW_WARNINGS
353 IMP_ATOM_HAS_IMP_CGAL = _IMP_multifit.IMP_ATOM_HAS_IMP_CGAL
355 IMP_ATOM_HAS_IMP_KERNEL = _IMP_multifit.IMP_ATOM_HAS_IMP_KERNEL
357 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
359 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
361 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_multifit.IMP_ATOM_HAS_BOOST_RANDOM
363 IMP_ATOM_HAS_BOOST_REGEX = _IMP_multifit.IMP_ATOM_HAS_BOOST_REGEX
365 IMP_ATOM_HAS_CGAL = _IMP_multifit.IMP_ATOM_HAS_CGAL
367 IMP_ATOM_HAS_HDF5 = _IMP_multifit.IMP_ATOM_HAS_HDF5
369 IMP_ATOM_HAS_NUMPY = _IMP_multifit.IMP_ATOM_HAS_NUMPY
371 IMP_ATOM_HAS_PYTHON_IHM = _IMP_multifit.IMP_ATOM_HAS_PYTHON_IHM
373 IMPATOM_SHOW_WARNINGS = _IMP_multifit.IMPATOM_SHOW_WARNINGS
375 IMP_ATOM_TYPE_INDEX = _IMP_multifit.IMP_ATOM_TYPE_INDEX
377 IMP_RESIDUE_TYPE_INDEX = _IMP_multifit.IMP_RESIDUE_TYPE_INDEX
379 IMP_HIERARCHY_TYPE_INDEX = _IMP_multifit.IMP_HIERARCHY_TYPE_INDEX
381 IMP_CHAIN_TYPE_INDEX = _IMP_multifit.IMP_CHAIN_TYPE_INDEX
384 IMP_EM_HAS_IMP_CGAL = _IMP_multifit.IMP_EM_HAS_IMP_CGAL
386 IMP_EM_HAS_IMP_CONTAINER = _IMP_multifit.IMP_EM_HAS_IMP_CONTAINER
388 IMP_EM_HAS_IMP_DISPLAY = _IMP_multifit.IMP_EM_HAS_IMP_DISPLAY
390 IMP_EM_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_EM_HAS_IMP_SCORE_FUNCTOR
392 IMP_EM_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_EM_HAS_BOOST_FILESYSTEM
394 IMP_EM_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_EM_HAS_BOOST_PROGRAMOPTIONS
396 IMP_EM_HAS_BOOST_RANDOM = _IMP_multifit.IMP_EM_HAS_BOOST_RANDOM
398 IMP_EM_HAS_BOOST_REGEX = _IMP_multifit.IMP_EM_HAS_BOOST_REGEX
400 IMP_EM_HAS_CGAL = _IMP_multifit.IMP_EM_HAS_CGAL
402 IMP_EM_HAS_HDF5 = _IMP_multifit.IMP_EM_HAS_HDF5
404 IMP_EM_HAS_NUMPY = _IMP_multifit.IMP_EM_HAS_NUMPY
406 IMP_EM_HAS_PYTHON_IHM = _IMP_multifit.IMP_EM_HAS_PYTHON_IHM
408 IMPEM_SHOW_WARNINGS = _IMP_multifit.IMPEM_SHOW_WARNINGS
411 IMP_SAXS_HAS_IMP_CGAL = _IMP_multifit.IMP_SAXS_HAS_IMP_CGAL
413 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_multifit.IMP_SAXS_HAS_IMP_CONTAINER
415 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_multifit.IMP_SAXS_HAS_IMP_DISPLAY
417 IMP_SAXS_HAS_IMP_KERNEL = _IMP_multifit.IMP_SAXS_HAS_IMP_KERNEL
419 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
421 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_SAXS_HAS_BOOST_FILESYSTEM
423 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
425 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_multifit.IMP_SAXS_HAS_BOOST_RANDOM
427 IMP_SAXS_HAS_BOOST_REGEX = _IMP_multifit.IMP_SAXS_HAS_BOOST_REGEX
429 IMP_SAXS_HAS_CGAL = _IMP_multifit.IMP_SAXS_HAS_CGAL
431 IMP_SAXS_HAS_HDF5 = _IMP_multifit.IMP_SAXS_HAS_HDF5
433 IMP_SAXS_HAS_NUMPY = _IMP_multifit.IMP_SAXS_HAS_NUMPY
435 IMP_SAXS_HAS_PYTHON_IHM = _IMP_multifit.IMP_SAXS_HAS_PYTHON_IHM
437 IMPSAXS_SHOW_WARNINGS = _IMP_multifit.IMPSAXS_SHOW_WARNINGS
440 IMP_ISD_HAS_IMP_CGAL = _IMP_multifit.IMP_ISD_HAS_IMP_CGAL
442 IMP_ISD_HAS_IMP_DISPLAY = _IMP_multifit.IMP_ISD_HAS_IMP_DISPLAY
444 IMP_ISD_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_ISD_HAS_IMP_SCORE_FUNCTOR
446 IMP_ISD_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_ISD_HAS_BOOST_FILESYSTEM
448 IMP_ISD_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_ISD_HAS_BOOST_PROGRAMOPTIONS
450 IMP_ISD_HAS_BOOST_RANDOM = _IMP_multifit.IMP_ISD_HAS_BOOST_RANDOM
452 IMP_ISD_HAS_BOOST_REGEX = _IMP_multifit.IMP_ISD_HAS_BOOST_REGEX
454 IMP_ISD_HAS_CGAL = _IMP_multifit.IMP_ISD_HAS_CGAL
456 IMP_ISD_HAS_HDF5 = _IMP_multifit.IMP_ISD_HAS_HDF5
458 IMP_ISD_HAS_NUMPY = _IMP_multifit.IMP_ISD_HAS_NUMPY
460 IMP_ISD_HAS_PYTHON_IHM = _IMP_multifit.IMP_ISD_HAS_PYTHON_IHM
462 IMPISD_SHOW_WARNINGS = _IMP_multifit.IMPISD_SHOW_WARNINGS
465 IMP_RMF_HAS_IMP_CGAL = _IMP_multifit.IMP_RMF_HAS_IMP_CGAL
467 IMP_RMF_HAS_IMP_EM = _IMP_multifit.IMP_RMF_HAS_IMP_EM
469 IMP_RMF_HAS_IMP_SAXS = _IMP_multifit.IMP_RMF_HAS_IMP_SAXS
471 IMP_RMF_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_RMF_HAS_IMP_SCORE_FUNCTOR
473 IMP_RMF_HAS_IMP_STATISTICS = _IMP_multifit.IMP_RMF_HAS_IMP_STATISTICS
475 IMP_RMF_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_RMF_HAS_BOOST_FILESYSTEM
477 IMP_RMF_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_RMF_HAS_BOOST_PROGRAMOPTIONS
479 IMP_RMF_HAS_BOOST_RANDOM = _IMP_multifit.IMP_RMF_HAS_BOOST_RANDOM
481 IMP_RMF_HAS_BOOST_REGEX = _IMP_multifit.IMP_RMF_HAS_BOOST_REGEX
483 IMP_RMF_HAS_CGAL = _IMP_multifit.IMP_RMF_HAS_CGAL
485 IMP_RMF_HAS_HDF5 = _IMP_multifit.IMP_RMF_HAS_HDF5
487 IMP_RMF_HAS_NUMPY = _IMP_multifit.IMP_RMF_HAS_NUMPY
489 IMP_RMF_HAS_PYTHON_IHM = _IMP_multifit.IMP_RMF_HAS_PYTHON_IHM
491 IMPRMF_SHOW_WARNINGS = _IMP_multifit.IMPRMF_SHOW_WARNINGS
495 IMP_DOMINO_HAS_IMP_ATOM = _IMP_multifit.IMP_DOMINO_HAS_IMP_ATOM
497 IMP_DOMINO_HAS_IMP_CGAL = _IMP_multifit.IMP_DOMINO_HAS_IMP_CGAL
499 IMP_DOMINO_HAS_IMP_EM = _IMP_multifit.IMP_DOMINO_HAS_IMP_EM
501 IMP_DOMINO_HAS_IMP_ISD = _IMP_multifit.IMP_DOMINO_HAS_IMP_ISD
503 IMP_DOMINO_HAS_IMP_KERNEL = _IMP_multifit.IMP_DOMINO_HAS_IMP_KERNEL
505 IMP_DOMINO_HAS_IMP_RMF = _IMP_multifit.IMP_DOMINO_HAS_IMP_RMF
507 IMP_DOMINO_HAS_IMP_SAXS = _IMP_multifit.IMP_DOMINO_HAS_IMP_SAXS
509 IMP_DOMINO_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_DOMINO_HAS_IMP_SCORE_FUNCTOR
511 IMP_DOMINO_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_DOMINO_HAS_BOOST_FILESYSTEM
513 IMP_DOMINO_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_DOMINO_HAS_BOOST_PROGRAMOPTIONS
515 IMP_DOMINO_HAS_BOOST_RANDOM = _IMP_multifit.IMP_DOMINO_HAS_BOOST_RANDOM
517 IMP_DOMINO_HAS_BOOST_REGEX = _IMP_multifit.IMP_DOMINO_HAS_BOOST_REGEX
519 IMP_DOMINO_HAS_CGAL = _IMP_multifit.IMP_DOMINO_HAS_CGAL
521 IMP_DOMINO_HAS_HDF5 = _IMP_multifit.IMP_DOMINO_HAS_HDF5
523 IMP_DOMINO_HAS_NUMPY = _IMP_multifit.IMP_DOMINO_HAS_NUMPY
525 IMP_DOMINO_HAS_RMF = _IMP_multifit.IMP_DOMINO_HAS_RMF
527 IMP_DOMINO_HAS_PYTHON_IHM = _IMP_multifit.IMP_DOMINO_HAS_PYTHON_IHM
529 IMPDOMINO_SHOW_WARNINGS = _IMP_multifit.IMPDOMINO_SHOW_WARNINGS
533 IMP_MULTIFIT_HAS_IMP_CGAL = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_CGAL
535 IMP_MULTIFIT_HAS_IMP_CONTAINER = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_CONTAINER
537 IMP_MULTIFIT_HAS_IMP_DISPLAY = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_DISPLAY
539 IMP_MULTIFIT_HAS_IMP_ISD = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_ISD
541 IMP_MULTIFIT_HAS_IMP_KERNEL = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_KERNEL
543 IMP_MULTIFIT_HAS_IMP_RMF = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_RMF
545 IMP_MULTIFIT_HAS_IMP_SAXS = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_SAXS
547 IMP_MULTIFIT_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_SCORE_FUNCTOR
549 IMP_MULTIFIT_HAS_BOOST_GRAPH = _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_GRAPH
551 IMP_MULTIFIT_HAS_BOOST_RANDOM = _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_RANDOM
553 IMP_MULTIFIT_HAS_BOOST_REGEX = _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_REGEX
555 IMP_MULTIFIT_HAS_CGAL = _IMP_multifit.IMP_MULTIFIT_HAS_CGAL
557 IMP_MULTIFIT_HAS_HDF5 = _IMP_multifit.IMP_MULTIFIT_HAS_HDF5
559 IMP_MULTIFIT_HAS_NUMPY = _IMP_multifit.IMP_MULTIFIT_HAS_NUMPY
561 IMP_MULTIFIT_HAS_RMF = _IMP_multifit.IMP_MULTIFIT_HAS_RMF
563 IMP_MULTIFIT_HAS_PYTHON_IHM = _IMP_multifit.IMP_MULTIFIT_HAS_PYTHON_IHM
565 IMPMULTIFIT_SHOW_WARNINGS = _IMP_multifit.IMPMULTIFIT_SHOW_WARNINGS
568 _object_types.append(
"RadiusOfGyrationRestraint")
571 def _object_cast_to_RadiusOfGyrationRestraint(o):
572 r"""_object_cast_to_RadiusOfGyrationRestraint(Object o) -> RadiusOfGyrationRestraint"""
573 return _IMP_multifit._object_cast_to_RadiusOfGyrationRestraint(o)
575 _object_types.append(
"ComponentHeader")
578 def _object_cast_to_ComponentHeader(o):
579 r"""_object_cast_to_ComponentHeader(Object o) -> ComponentHeader"""
580 return _IMP_multifit._object_cast_to_ComponentHeader(o)
582 _object_types.append(
"AssemblyHeader")
585 def _object_cast_to_AssemblyHeader(o):
586 r"""_object_cast_to_AssemblyHeader(Object o) -> AssemblyHeader"""
587 return _IMP_multifit._object_cast_to_AssemblyHeader(o)
589 _object_types.append(
"SettingsData")
592 def _object_cast_to_SettingsData(o):
593 r"""_object_cast_to_SettingsData(Object o) -> SettingsData"""
594 return _IMP_multifit._object_cast_to_SettingsData(o)
596 _object_types.append(
"WeightedExcludedVolumeRestraint")
599 def _object_cast_to_WeightedExcludedVolumeRestraint(o):
600 r"""_object_cast_to_WeightedExcludedVolumeRestraint(Object o) -> WeightedExcludedVolumeRestraint"""
601 return _IMP_multifit._object_cast_to_WeightedExcludedVolumeRestraint(o)
603 _object_types.append(
"ComplementarityRestraint")
606 def _object_cast_to_ComplementarityRestraint(o):
607 r"""_object_cast_to_ComplementarityRestraint(Object o) -> ComplementarityRestraint"""
608 return _IMP_multifit._object_cast_to_ComplementarityRestraint(o)
610 ProteinRecordDataList=list
611 _plural_types.append(
"ProteinRecordDataList")
612 _value_types.append(
"ProteinRecordData")
615 FittingSolutionRecords=list
616 _plural_types.append(
"FittingSolutionRecords")
617 _value_types.append(
"FittingSolutionRecord")
621 _plural_types.append(
"AnchorsDataList")
622 _value_types.append(
"AnchorsData")
625 DominoParamsList=list
626 _plural_types.append(
"DominoParamsList")
627 _value_types.append(
"DominoParams")
630 ComplementarityParamsList=list
631 _plural_types.append(
"ComplementarityParamsList")
632 _value_types.append(
"ComplementarityParams")
636 _plural_types.append(
"XlinkParamsList")
637 _value_types.append(
"XlinkParams")
640 ConnectivityParamsList=list
641 _plural_types.append(
"ConnectivityParamsList")
642 _value_types.append(
"ConnectivityParams")
645 FragmentsParamsList=list
646 _plural_types.append(
"FragmentsParamsList")
647 _value_types.append(
"FragmentsParams")
651 _plural_types.append(
"RogParamsList")
652 _value_types.append(
"RogParams")
656 _plural_types.append(
"EVParamsList")
657 _value_types.append(
"EVParams")
660 FiltersParamsList=list
661 _plural_types.append(
"FiltersParamsList")
662 _value_types.append(
"FiltersParams")
665 AlignmentParamsList=list
666 _plural_types.append(
"AlignmentParamsList")
667 _value_types.append(
"AlignmentParams")
670 FittingParamsList=list
671 _plural_types.append(
"FittingParamsList")
672 _value_types.append(
"FittingParams")
675 ProteinsAnchorsSamplingSpaces=list
676 _plural_types.append(
"ProteinsAnchorsSamplingSpaces")
677 _value_types.append(
"ProteinsAnchorsSamplingSpace")
680 _object_types.append(
"ProteomicsData")
683 def _object_cast_to_ProteomicsData(o):
684 r"""_object_cast_to_ProteomicsData(Object o) -> ProteomicsData"""
685 return _IMP_multifit._object_cast_to_ProteomicsData(o)
687 _object_types.append(
"FFTFitting")
690 def _object_cast_to_FFTFitting(o):
691 r"""_object_cast_to_FFTFitting(Object o) -> FFTFitting"""
692 return _IMP_multifit._object_cast_to_FFTFitting(o)
694 _object_types.append(
"FFTFittingOutput")
697 def _object_cast_to_FFTFittingOutput(o):
698 r"""_object_cast_to_FFTFittingOutput(Object o) -> FFTFittingOutput"""
699 return _IMP_multifit._object_cast_to_FFTFittingOutput(o)
701 _object_types.append(
"ProbabilisticAnchorGraph")
704 def _object_cast_to_ProbabilisticAnchorGraph(o):
705 r"""_object_cast_to_ProbabilisticAnchorGraph(Object o) -> ProbabilisticAnchorGraph"""
706 return _IMP_multifit._object_cast_to_ProbabilisticAnchorGraph(o)
708 _object_types.append(
"Ensemble")
711 def _object_cast_to_Ensemble(o):
712 r"""_object_cast_to_Ensemble(Object o) -> Ensemble"""
713 return _IMP_multifit._object_cast_to_Ensemble(o)
715 _object_types.append(
"ProteomicsEMAlignmentAtomic")
718 def _object_cast_to_ProteomicsEMAlignmentAtomic(o):
719 r"""_object_cast_to_ProteomicsEMAlignmentAtomic(Object o) -> ProteomicsEMAlignmentAtomic"""
720 return _IMP_multifit._object_cast_to_ProteomicsEMAlignmentAtomic(o)
722 _object_types.append(
"RigidLeavesRefiner")
725 def _object_cast_to_RigidLeavesRefiner(o):
726 r"""_object_cast_to_RigidLeavesRefiner(Object o) -> RigidLeavesRefiner"""
727 return _IMP_multifit._object_cast_to_RigidLeavesRefiner(o)
730 r"""add_surface_index(Hierarchy mhd, IMP::Float apix, FloatKey shell_key=IMP::FloatKey("surf_ind"), FloatKey radius_key=IMP::core::XYZR::get_radius_key(), FloatKey weight_key=IMP::atom::Mass::get_mass_key())"""
731 return _IMP_multifit.add_surface_index(*args)
734 r"""create_weighted_excluded_volume_restraint(RigidBody rb1, RigidBody rb2, FloatKey shell_key=IMP::FloatKey("surf_ind")) -> Restraint"""
735 return _IMP_multifit.create_weighted_excluded_volume_restraint(*args)
736 class FittingSolutionRecord(object):
737 r"""Proxy of C++ IMP::multifit::FittingSolutionRecord class."""
739 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
742 r"""__init__(FittingSolutionRecord self) -> FittingSolutionRecord"""
743 _IMP_multifit.FittingSolutionRecord_swiginit(self, _IMP_multifit.new_FittingSolutionRecord())
746 r"""get_index(FittingSolutionRecord self) -> unsigned int"""
747 return _IMP_multifit.FittingSolutionRecord_get_index(self)
749 def set_index(self, new_ind):
750 r"""set_index(FittingSolutionRecord self, unsigned int new_ind)"""
751 return _IMP_multifit.FittingSolutionRecord_set_index(self, new_ind)
753 def get_solution_filename(self):
754 r"""get_solution_filename(FittingSolutionRecord self) -> std::string"""
755 return _IMP_multifit.FittingSolutionRecord_get_solution_filename(self)
757 def set_solution_filename(self, sol_fn):
758 r"""set_solution_filename(FittingSolutionRecord self, std::string sol_fn)"""
759 return _IMP_multifit.FittingSolutionRecord_set_solution_filename(self, sol_fn)
761 def get_fit_transformation(self):
762 r"""get_fit_transformation(FittingSolutionRecord self) -> Transformation3D"""
763 return _IMP_multifit.FittingSolutionRecord_get_fit_transformation(self)
765 def set_fit_transformation(self, t):
766 r"""set_fit_transformation(FittingSolutionRecord self, Transformation3D t)"""
767 return _IMP_multifit.FittingSolutionRecord_set_fit_transformation(self, t)
769 def get_match_size(self):
770 r"""get_match_size(FittingSolutionRecord self) -> unsigned int"""
771 return _IMP_multifit.FittingSolutionRecord_get_match_size(self)
773 def set_match_size(self, match_size):
774 r"""set_match_size(FittingSolutionRecord self, unsigned int match_size)"""
775 return _IMP_multifit.FittingSolutionRecord_set_match_size(self, match_size)
777 def get_match_average_distance(self):
778 r"""get_match_average_distance(FittingSolutionRecord self) -> IMP::Float"""
779 return _IMP_multifit.FittingSolutionRecord_get_match_average_distance(self)
781 def set_match_average_distance(self, match_avg_dist):
782 r"""set_match_average_distance(FittingSolutionRecord self, IMP::Float match_avg_dist)"""
783 return _IMP_multifit.FittingSolutionRecord_set_match_average_distance(self, match_avg_dist)
785 def get_fitting_score(self):
786 r"""get_fitting_score(FittingSolutionRecord self) -> IMP::Float"""
787 return _IMP_multifit.FittingSolutionRecord_get_fitting_score(self)
789 def set_fitting_score(self, fit_score):
790 r"""set_fitting_score(FittingSolutionRecord self, IMP::Float fit_score)"""
791 return _IMP_multifit.FittingSolutionRecord_set_fitting_score(self, fit_score)
793 def get_rmsd_to_reference(self):
794 r"""get_rmsd_to_reference(FittingSolutionRecord self) -> IMP::Float"""
795 return _IMP_multifit.FittingSolutionRecord_get_rmsd_to_reference(self)
797 def set_rmsd_to_reference(self, rmsd_to_ref):
798 r"""set_rmsd_to_reference(FittingSolutionRecord self, IMP::Float rmsd_to_ref)"""
799 return _IMP_multifit.FittingSolutionRecord_set_rmsd_to_reference(self, rmsd_to_ref)
801 def get_dock_transformation(self):
802 r"""get_dock_transformation(FittingSolutionRecord self) -> Transformation3D"""
803 return _IMP_multifit.FittingSolutionRecord_get_dock_transformation(self)
805 def set_dock_transformation(self, t):
806 r"""set_dock_transformation(FittingSolutionRecord self, Transformation3D t)"""
807 return _IMP_multifit.FittingSolutionRecord_set_dock_transformation(self, t)
809 def get_envelope_penetration_score(self):
810 r"""get_envelope_penetration_score(FittingSolutionRecord self) -> IMP::Float"""
811 return _IMP_multifit.FittingSolutionRecord_get_envelope_penetration_score(self)
813 def set_envelope_penetration_score(self, s):
814 r"""set_envelope_penetration_score(FittingSolutionRecord self, IMP::Float s)"""
815 return _IMP_multifit.FittingSolutionRecord_set_envelope_penetration_score(self, s)
817 def show(self, *args):
818 r"""show(FittingSolutionRecord self, _ostream out=std::cout)"""
819 return _IMP_multifit.FittingSolutionRecord_show(self, *args)
822 def get_record_header():
823 r"""get_record_header() -> std::string"""
824 return _IMP_multifit.FittingSolutionRecord_get_record_header()
827 r"""__str__(FittingSolutionRecord self) -> std::string"""
828 return _IMP_multifit.FittingSolutionRecord___str__(self)
831 r"""__repr__(FittingSolutionRecord self) -> std::string"""
832 return _IMP_multifit.FittingSolutionRecord___repr__(self)
834 def _get_as_binary(self):
835 r"""_get_as_binary(FittingSolutionRecord self) -> PyObject *"""
836 return _IMP_multifit.FittingSolutionRecord__get_as_binary(self)
838 def _set_from_binary(self, p):
839 r"""_set_from_binary(FittingSolutionRecord self, PyObject * p)"""
840 return _IMP_multifit.FittingSolutionRecord__set_from_binary(self, p)
842 def __getstate__(self):
843 p = self._get_as_binary()
844 if len(self.__dict__) > 1:
845 d = self.__dict__.copy()
850 def __setstate__(self, p):
851 if not hasattr(self,
'this'):
853 if isinstance(p, tuple):
855 self.__dict__.update(d)
856 return self._set_from_binary(p)
858 __swig_destroy__ = _IMP_multifit.delete_FittingSolutionRecord
861 _IMP_multifit.FittingSolutionRecord_swigregister(FittingSolutionRecord)
865 pca_based_rigid_fitting(RigidBody rb, Refiner rb_refiner, DensityMap em_map, IMP::Float threshold, FloatKey wei_key=IMP::atom::Mass::get_mass_key(), PrincipalComponentAnalysis3D dens_pca_input=IMP::algebra::PrincipalComponentAnalysis()) -> FittingSolutions
866 pca_based_rigid_fitting(IMP::ParticlesTemp ps, DensityMap em_map, IMP::Float threshold, FloatKey wei_key=IMP::atom::Mass::get_mass_key(), PrincipalComponentAnalysis3D dens_pca_input=IMP::algebra::PrincipalComponentAnalysis()) -> FittingSolutions
868 return _IMP_multifit.pca_based_rigid_fitting(*args)
870 def write_markers(pca, out):
871 r"""write_markers(PrincipalComponentAnalysis3D pca, _ostream out)"""
872 return _IMP_multifit.write_markers(pca, out)
874 r"""Proxy of C++ IMP::multifit::ComponentHeader class."""
876 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
879 r"""__init__(ComponentHeader self) -> ComponentHeader"""
880 _IMP_multifit.ComponentHeader_swiginit(self, _IMP_multifit.new_ComponentHeader())
882 def set_name(self, name):
883 r"""set_name(ComponentHeader self, std::string const & name)"""
884 return _IMP_multifit.ComponentHeader_set_name(self, name)
887 r"""get_name(ComponentHeader self) -> std::string"""
888 return _IMP_multifit.ComponentHeader_get_name(self)
890 def get_filename(self):
891 r"""get_filename(ComponentHeader self) -> std::string"""
892 return _IMP_multifit.ComponentHeader_get_filename(self)
894 def set_filename(self, filename):
895 r"""set_filename(ComponentHeader self, std::string const & filename)"""
896 return _IMP_multifit.ComponentHeader_set_filename(self, filename)
898 def get_surface_fn(self):
899 r"""get_surface_fn(ComponentHeader self) -> std::string"""
900 return _IMP_multifit.ComponentHeader_get_surface_fn(self)
902 def set_surface_fn(self, fn):
903 r"""set_surface_fn(ComponentHeader self, std::string const & fn)"""
904 return _IMP_multifit.ComponentHeader_set_surface_fn(self, fn)
906 def set_txt_ap_fn(self, pdb_ap_fn):
907 r"""set_txt_ap_fn(ComponentHeader self, std::string const & pdb_ap_fn)"""
908 return _IMP_multifit.ComponentHeader_set_txt_ap_fn(self, pdb_ap_fn)
910 def get_txt_ap_fn(self):
911 r"""get_txt_ap_fn(ComponentHeader self) -> std::string"""
912 return _IMP_multifit.ComponentHeader_get_txt_ap_fn(self)
914 def set_txt_fine_ap_fn(self, pdb_ap_fn):
915 r"""set_txt_fine_ap_fn(ComponentHeader self, std::string const & pdb_ap_fn)"""
916 return _IMP_multifit.ComponentHeader_set_txt_fine_ap_fn(self, pdb_ap_fn)
918 def get_txt_fine_ap_fn(self):
919 r"""get_txt_fine_ap_fn(ComponentHeader self) -> std::string"""
920 return _IMP_multifit.ComponentHeader_get_txt_fine_ap_fn(self)
922 def set_num_ap(self, num_ap):
923 r"""set_num_ap(ComponentHeader self, int num_ap)"""
924 return _IMP_multifit.ComponentHeader_set_num_ap(self, num_ap)
926 def get_num_ap(self):
927 r"""get_num_ap(ComponentHeader self) -> int"""
928 return _IMP_multifit.ComponentHeader_get_num_ap(self)
930 def set_num_fine_ap(self, num_ap):
931 r"""set_num_fine_ap(ComponentHeader self, int num_ap)"""
932 return _IMP_multifit.ComponentHeader_set_num_fine_ap(self, num_ap)
934 def get_num_fine_ap(self):
935 r"""get_num_fine_ap(ComponentHeader self) -> int"""
936 return _IMP_multifit.ComponentHeader_get_num_fine_ap(self)
938 def set_transformations_fn(self, transformations_fn):
939 r"""set_transformations_fn(ComponentHeader self, std::string transformations_fn)"""
940 return _IMP_multifit.ComponentHeader_set_transformations_fn(self, transformations_fn)
942 def get_transformations_fn(self):
943 r"""get_transformations_fn(ComponentHeader self) -> std::string"""
944 return _IMP_multifit.ComponentHeader_get_transformations_fn(self)
946 def set_reference_fn(self, ref_fn):
947 r"""set_reference_fn(ComponentHeader self, std::string const & ref_fn)"""
948 return _IMP_multifit.ComponentHeader_set_reference_fn(self, ref_fn)
950 def get_reference_fn(self):
951 r"""get_reference_fn(ComponentHeader self) -> std::string"""
952 return _IMP_multifit.ComponentHeader_get_reference_fn(self)
954 def get_version_info(self):
955 r"""get_version_info(ComponentHeader self) -> VersionInfo"""
956 return _IMP_multifit.ComponentHeader_get_version_info(self)
957 __swig_destroy__ = _IMP_multifit.delete_ComponentHeader
960 r"""__str__(ComponentHeader self) -> std::string"""
961 return _IMP_multifit.ComponentHeader___str__(self)
964 r"""__repr__(ComponentHeader self) -> std::string"""
965 return _IMP_multifit.ComponentHeader___repr__(self)
969 return _object_cast_to_ComponentHeader(o)
973 _IMP_multifit.ComponentHeader_swigregister(ComponentHeader)
975 r"""Proxy of C++ IMP::multifit::AssemblyHeader class."""
977 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
980 r"""__init__(AssemblyHeader self) -> AssemblyHeader"""
981 _IMP_multifit.AssemblyHeader_swiginit(self, _IMP_multifit.new_AssemblyHeader())
983 def set_dens_fn(self, dens_fn):
984 r"""set_dens_fn(AssemblyHeader self, std::string const & dens_fn)"""
985 return _IMP_multifit.AssemblyHeader_set_dens_fn(self, dens_fn)
987 def get_dens_fn(self):
988 r"""get_dens_fn(AssemblyHeader self) -> std::string"""
989 return _IMP_multifit.AssemblyHeader_get_dens_fn(self)
991 def set_resolution(self, res):
992 r"""set_resolution(AssemblyHeader self, float res)"""
993 return _IMP_multifit.AssemblyHeader_set_resolution(self, res)
996 r"""get_resolution(AssemblyHeader self) -> float"""
997 return _IMP_multifit.AssemblyHeader_get_resolution(self)
999 def get_spacing(self):
1000 r"""get_spacing(AssemblyHeader self) -> float"""
1001 return _IMP_multifit.AssemblyHeader_get_spacing(self)
1003 def set_spacing(self, spacing):
1004 r"""set_spacing(AssemblyHeader self, float spacing)"""
1005 return _IMP_multifit.AssemblyHeader_set_spacing(self, spacing)
1007 def set_threshold(self, t):
1008 r"""set_threshold(AssemblyHeader self, float t)"""
1009 return _IMP_multifit.AssemblyHeader_set_threshold(self, t)
1011 def get_threshold(self):
1012 r"""get_threshold(AssemblyHeader self) -> float"""
1013 return _IMP_multifit.AssemblyHeader_get_threshold(self)
1015 def get_origin(self):
1016 r"""get_origin(AssemblyHeader self) -> Vector3D"""
1017 return _IMP_multifit.AssemblyHeader_get_origin(self)
1019 def set_origin(self, origin):
1020 r"""set_origin(AssemblyHeader self, Vector3D origin)"""
1021 return _IMP_multifit.AssemblyHeader_set_origin(self, origin)
1023 def get_coarse_ap_fn(self):
1024 r"""get_coarse_ap_fn(AssemblyHeader self) -> std::string"""
1025 return _IMP_multifit.AssemblyHeader_get_coarse_ap_fn(self)
1027 def set_coarse_ap_fn(self, new_fn):
1028 r"""set_coarse_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
1029 return _IMP_multifit.AssemblyHeader_set_coarse_ap_fn(self, new_fn)
1031 def get_coarse_over_sampled_ap_fn(self):
1032 r"""get_coarse_over_sampled_ap_fn(AssemblyHeader self) -> std::string"""
1033 return _IMP_multifit.AssemblyHeader_get_coarse_over_sampled_ap_fn(self)
1035 def set_coarse_over_sampled_ap_fn(self, new_fn):
1036 r"""set_coarse_over_sampled_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
1037 return _IMP_multifit.AssemblyHeader_set_coarse_over_sampled_ap_fn(self, new_fn)
1039 def get_fine_ap_fn(self):
1040 r"""get_fine_ap_fn(AssemblyHeader self) -> std::string"""
1041 return _IMP_multifit.AssemblyHeader_get_fine_ap_fn(self)
1043 def set_fine_ap_fn(self, new_fn):
1044 r"""set_fine_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
1045 return _IMP_multifit.AssemblyHeader_set_fine_ap_fn(self, new_fn)
1047 def get_fine_over_sampled_ap_fn(self):
1048 r"""get_fine_over_sampled_ap_fn(AssemblyHeader self) -> std::string"""
1049 return _IMP_multifit.AssemblyHeader_get_fine_over_sampled_ap_fn(self)
1051 def set_fine_over_sampled_ap_fn(self, new_fn):
1052 r"""set_fine_over_sampled_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
1053 return _IMP_multifit.AssemblyHeader_set_fine_over_sampled_ap_fn(self, new_fn)
1055 def get_version_info(self):
1056 r"""get_version_info(AssemblyHeader self) -> VersionInfo"""
1057 return _IMP_multifit.AssemblyHeader_get_version_info(self)
1058 __swig_destroy__ = _IMP_multifit.delete_AssemblyHeader
1061 r"""__str__(AssemblyHeader self) -> std::string"""
1062 return _IMP_multifit.AssemblyHeader___str__(self)
1065 r"""__repr__(AssemblyHeader self) -> std::string"""
1066 return _IMP_multifit.AssemblyHeader___repr__(self)
1070 return _object_cast_to_AssemblyHeader(o)
1074 _IMP_multifit.AssemblyHeader_swigregister(AssemblyHeader)
1076 r"""Proxy of C++ IMP::multifit::SettingsData class."""
1078 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1081 r"""__init__(SettingsData self) -> SettingsData"""
1082 _IMP_multifit.SettingsData_swiginit(self, _IMP_multifit.new_SettingsData())
1085 def show_component_header_line(*args):
1086 r"""show_component_header_line(_ostream out=std::cout)"""
1087 return _IMP_multifit.SettingsData_show_component_header_line(*args)
1090 def get_component_header_line():
1091 r"""get_component_header_line() -> std::string"""
1092 return _IMP_multifit.SettingsData_get_component_header_line()
1095 def show_density_header_line(*args):
1096 r"""show_density_header_line(_ostream out=std::cout)"""
1097 return _IMP_multifit.SettingsData_show_density_header_line(*args)
1100 def get_density_header_line():
1101 r"""get_density_header_line() -> std::string"""
1102 return _IMP_multifit.SettingsData_get_density_header_line()
1104 def set_assembly_filename(self, fn):
1105 r"""set_assembly_filename(SettingsData self, std::string const & fn)"""
1106 return _IMP_multifit.SettingsData_set_assembly_filename(self, fn)
1108 def get_assembly_filename(self):
1109 r"""get_assembly_filename(SettingsData self) -> char const *"""
1110 return _IMP_multifit.SettingsData_get_assembly_filename(self)
1112 def set_assembly_header(self, h):
1113 r"""set_assembly_header(SettingsData self, AssemblyHeader h)"""
1114 return _IMP_multifit.SettingsData_set_assembly_header(self, h)
1116 def get_assembly_header(self):
1117 r"""get_assembly_header(SettingsData self) -> AssemblyHeader"""
1118 return _IMP_multifit.SettingsData_get_assembly_header(self)
1120 def set_data_path(self, fn):
1121 r"""set_data_path(SettingsData self, std::string const & fn)"""
1122 return _IMP_multifit.SettingsData_set_data_path(self, fn)
1125 r"""get_data_path(SettingsData self) -> std::string"""
1126 return _IMP_multifit.SettingsData_get_data_path(self)
1128 def get_version_info(self):
1129 r"""get_version_info(SettingsData self) -> VersionInfo"""
1130 return _IMP_multifit.SettingsData_get_version_info(self)
1131 __swig_destroy__ = _IMP_multifit.delete_SettingsData
1132 def __get_component_headers(self):
return IMP._list_util.VarList(getdimfunc=self.get_number_of_component_headers, getfunc=self.get_component_header, erasefunc=self.erase_component_header, appendfunc=self.add_component_header, extendfunc=self.add_component_headers, clearfunc=self.clear_component_headers, indexfunc=self._python_index_component_header)
1133 def __set_component_headers(self, obj): IMP._list_util.set_varlist(self.component_headers, obj)
1134 def __del_component_headers(self): IMP._list_util.del_varlist(self.component_headers)
1135 component_headers = property(__get_component_headers, __set_component_headers, __del_component_headers, doc=
"List of ##ucnames")
1137 def remove_component_header(self, d):
1138 r"""remove_component_header(SettingsData self, ComponentHeader d)"""
1139 return _IMP_multifit.SettingsData_remove_component_header(self, d)
1141 def _python_index_component_header(self, d, start, stop):
1142 r"""_python_index_component_header(SettingsData self, ComponentHeader d, unsigned int start, unsigned int stop) -> unsigned int"""
1143 return _IMP_multifit.SettingsData__python_index_component_header(self, d, start, stop)
1145 def remove_component_headers(self, d):
1146 r"""remove_component_headers(SettingsData self, IMP::multifit::ComponentHeaders const & d)"""
1147 return _IMP_multifit.SettingsData_remove_component_headers(self, d)
1149 def set_component_headers(self, ps):
1150 r"""set_component_headers(SettingsData self, IMP::multifit::ComponentHeaders const & ps)"""
1151 return _IMP_multifit.SettingsData_set_component_headers(self, ps)
1153 def set_component_headers_order(self, objs):
1154 r"""set_component_headers_order(SettingsData self, IMP::multifit::ComponentHeaders const & objs)"""
1155 return _IMP_multifit.SettingsData_set_component_headers_order(self, objs)
1157 def add_component_header(self, obj):
1158 r"""add_component_header(SettingsData self, ComponentHeader obj) -> unsigned int"""
1159 return _IMP_multifit.SettingsData_add_component_header(self, obj)
1161 def add_component_headers(self, objs):
1162 r"""add_component_headers(SettingsData self, IMP::multifit::ComponentHeaders const & objs)"""
1163 return _IMP_multifit.SettingsData_add_component_headers(self, objs)
1165 def clear_component_headers(self):
1166 r"""clear_component_headers(SettingsData self)"""
1167 return _IMP_multifit.SettingsData_clear_component_headers(self)
1169 def get_number_of_component_headers(self):
1170 r"""get_number_of_component_headers(SettingsData self) -> unsigned int"""
1171 return _IMP_multifit.SettingsData_get_number_of_component_headers(self)
1173 def get_has_component_headers(self):
1174 r"""get_has_component_headers(SettingsData self) -> bool"""
1175 return _IMP_multifit.SettingsData_get_has_component_headers(self)
1177 def get_component_header(self, i):
1178 r"""get_component_header(SettingsData self, unsigned int i) -> ComponentHeader"""
1179 return _IMP_multifit.SettingsData_get_component_header(self, i)
1181 def get_component_headers(self):
1182 r"""get_component_headers(SettingsData self) -> IMP::multifit::ComponentHeaders"""
1183 return _IMP_multifit.SettingsData_get_component_headers(self)
1185 def erase_component_header(self, i):
1186 r"""erase_component_header(SettingsData self, unsigned int i)"""
1187 return _IMP_multifit.SettingsData_erase_component_header(self, i)
1189 def reserve_component_headers(self, sz):
1190 r"""reserve_component_headers(SettingsData self, unsigned int sz)"""
1191 return _IMP_multifit.SettingsData_reserve_component_headers(self, sz)
1194 r"""__str__(SettingsData self) -> std::string"""
1195 return _IMP_multifit.SettingsData___str__(self)
1198 r"""__repr__(SettingsData self) -> std::string"""
1199 return _IMP_multifit.SettingsData___repr__(self)
1203 return _object_cast_to_SettingsData(o)
1207 _IMP_multifit.SettingsData_swigregister(SettingsData)
1209 def read_settings(filename):
1210 r"""read_settings(char const * filename) -> SettingsData"""
1211 return _IMP_multifit.read_settings(filename)
1213 def write_settings(filename, sd):
1214 r"""write_settings(char const * filename, SettingsData sd)"""
1215 return _IMP_multifit.write_settings(filename, sd)
1217 r"""Proxy of C++ IMP::multifit::WeightedExcludedVolumeRestraint class."""
1219 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1221 def __init__(self, *args):
1222 r"""__init__(WeightedExcludedVolumeRestraint self, IMP::core::RigidBodies rbs, Refiner refiner, FloatKey weight_key=IMP::atom::Mass::get_mass_key()) -> WeightedExcludedVolumeRestraint"""
1223 _IMP_multifit.WeightedExcludedVolumeRestraint_swiginit(self, _IMP_multifit.new_WeightedExcludedVolumeRestraint(*args))
1225 def do_get_inputs(self):
1226 r"""do_get_inputs(WeightedExcludedVolumeRestraint self) -> IMP::ModelObjectsTemp"""
1227 return _IMP_multifit.WeightedExcludedVolumeRestraint_do_get_inputs(self)
1229 def get_version_info(self):
1230 r"""get_version_info(WeightedExcludedVolumeRestraint self) -> VersionInfo"""
1231 return _IMP_multifit.WeightedExcludedVolumeRestraint_get_version_info(self)
1232 __swig_destroy__ = _IMP_multifit.delete_WeightedExcludedVolumeRestraint
1235 r"""__str__(WeightedExcludedVolumeRestraint self) -> std::string"""
1236 return _IMP_multifit.WeightedExcludedVolumeRestraint___str__(self)
1239 r"""__repr__(WeightedExcludedVolumeRestraint self) -> std::string"""
1240 return _IMP_multifit.WeightedExcludedVolumeRestraint___repr__(self)
1244 return _object_cast_to_WeightedExcludedVolumeRestraint(o)
1248 _IMP_multifit.WeightedExcludedVolumeRestraint_swigregister(WeightedExcludedVolumeRestraint)
1250 r"""Proxy of C++ IMP::multifit::FFTFittingOutput class."""
1252 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1255 r"""__init__(FFTFittingOutput self) -> FFTFittingOutput"""
1256 _IMP_multifit.FFTFittingOutput_swiginit(self, _IMP_multifit.new_FFTFittingOutput())
1258 def get_version_info(self):
1259 r"""get_version_info(FFTFittingOutput self) -> VersionInfo"""
1260 return _IMP_multifit.FFTFittingOutput_get_version_info(self)
1261 __swig_destroy__ = _IMP_multifit.delete_FFTFittingOutput
1262 best_fits_ = property(_IMP_multifit.FFTFittingOutput_best_fits__get, _IMP_multifit.FFTFittingOutput_best_fits__set, doc=
r"""best_fits_ : IMP::multifit::FittingSolutionRecords""")
1263 best_trans_per_rot_ = property(_IMP_multifit.FFTFittingOutput_best_trans_per_rot__get, _IMP_multifit.FFTFittingOutput_best_trans_per_rot__set, doc=
r"""best_trans_per_rot_ : IMP::multifit::FittingSolutionRecords""")
1266 r"""__str__(FFTFittingOutput self) -> std::string"""
1267 return _IMP_multifit.FFTFittingOutput___str__(self)
1270 r"""__repr__(FFTFittingOutput self) -> std::string"""
1271 return _IMP_multifit.FFTFittingOutput___repr__(self)
1275 return _object_cast_to_FFTFittingOutput(o)
1279 _IMP_multifit.FFTFittingOutput_swigregister(FFTFittingOutput)
1281 r"""Proxy of C++ IMP::multifit::FFTFitting class."""
1283 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1285 def get_version_info(self):
1286 r"""get_version_info(FFTFitting self) -> VersionInfo"""
1287 return _IMP_multifit.FFTFitting_get_version_info(self)
1288 __swig_destroy__ = _IMP_multifit.delete_FFTFitting
1291 r"""__init__(FFTFitting self) -> FFTFitting"""
1292 _IMP_multifit.FFTFitting_swiginit(self, _IMP_multifit.new_FFTFitting())
1294 def do_global_fitting(self, *args):
1295 r"""do_global_fitting(FFTFitting self, DensityMap dmap, double density_threshold, Hierarchy mol2fit, double angle_sampling_interval_rad, int num_fits_to_report, double max_clustering_translation, double max_clustering_angle, bool cluster_fits=True, int num_angle_per_voxel=1, std::string const & angles_filename="") -> FFTFittingOutput"""
1296 return _IMP_multifit.FFTFitting_do_global_fitting(self, *args)
1298 def do_local_fitting(self, *args):
1299 r"""do_local_fitting(FFTFitting self, DensityMap dmap, double density_threshold, Hierarchy mol2fit, double angle_sampling_interval_rad, double max_angle_sampling_rad, double max_translation, int num_fits_to_report, bool cluster_fits, int num_angle_per_voxel, double max_clustering_translation, double max_clustering_rotation, std::string const & angles_filename="") -> FFTFittingOutput"""
1300 return _IMP_multifit.FFTFitting_do_local_fitting(self, *args)
1303 r"""__str__(FFTFitting self) -> std::string"""
1304 return _IMP_multifit.FFTFitting___str__(self)
1307 r"""__repr__(FFTFitting self) -> std::string"""
1308 return _IMP_multifit.FFTFitting___repr__(self)
1312 return _object_cast_to_FFTFitting(o)
1316 _IMP_multifit.FFTFitting_swigregister(FFTFitting)
1319 r"""fft_based_rigid_fitting(Hierarchy mol2fit, DensityMap dmap, double density_threshold, double angle_sampling_interval_rad) -> IMP::multifit::FittingSolutionRecords"""
1320 return _IMP_multifit.fft_based_rigid_fitting(mol2fit, dmap, density_threshold, angle_sampling_interval_rad)
1323 r"""remove_background(DensityMap dmap, float threshold, float edge_threshold) -> DensityMap"""
1324 return _IMP_multifit.remove_background(dmap, threshold, edge_threshold)
1327 r"""get_connected_components(DensityMap dmap, float threshold, float edge_threshold) -> IMP::IntsList"""
1328 return _IMP_multifit.get_connected_components(dmap, threshold, edge_threshold)
1330 def get_segmentation(dmap, apix, density_threshold, num_means, pdb_filename, cmm_filename, seg_filename, txt_filename):
1331 r"""get_segmentation(DensityMap dmap, double apix, double density_threshold, int num_means, std::string const pdb_filename, std::string const cmm_filename, std::string const seg_filename, std::string const txt_filename)"""
1332 return _IMP_multifit.get_segmentation(dmap, apix, density_threshold, num_means, pdb_filename, cmm_filename, seg_filename, txt_filename)
1334 r"""Proxy of C++ IMP::multifit::ComplementarityRestraint class."""
1336 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1338 def __init__(self, *args):
1339 r"""__init__(ComplementarityRestraint self, IMP::ParticlesTemp const & a, IMP::ParticlesTemp const & b, std::string name="ComplementarityRestraint %1%") -> ComplementarityRestraint"""
1340 _IMP_multifit.ComplementarityRestraint_swiginit(self, _IMP_multifit.new_ComplementarityRestraint(*args))
1342 def set_maximum_penetration_score(self, s):
1343 r"""set_maximum_penetration_score(ComplementarityRestraint self, double s)"""
1344 return _IMP_multifit.ComplementarityRestraint_set_maximum_penetration_score(self, s)
1346 def set_maximum_penetration(self, d):
1347 r"""set_maximum_penetration(ComplementarityRestraint self, double d)"""
1348 return _IMP_multifit.ComplementarityRestraint_set_maximum_penetration(self, d)
1350 def set_maximum_separation(self, s):
1351 r"""set_maximum_separation(ComplementarityRestraint self, double s)"""
1352 return _IMP_multifit.ComplementarityRestraint_set_maximum_separation(self, s)
1354 def set_complementarity_thickness(self, th):
1355 r"""set_complementarity_thickness(ComplementarityRestraint self, double th)"""
1356 return _IMP_multifit.ComplementarityRestraint_set_complementarity_thickness(self, th)
1358 def set_complementarity_value(self, th):
1359 r"""set_complementarity_value(ComplementarityRestraint self, double th)"""
1360 return _IMP_multifit.ComplementarityRestraint_set_complementarity_value(self, th)
1362 def set_interior_layer_thickness(self, th):
1363 r"""set_interior_layer_thickness(ComplementarityRestraint self, double th)"""
1364 return _IMP_multifit.ComplementarityRestraint_set_interior_layer_thickness(self, th)
1366 def set_penetration_coefficient(self, pc):
1367 r"""set_penetration_coefficient(ComplementarityRestraint self, double pc)"""
1368 return _IMP_multifit.ComplementarityRestraint_set_penetration_coefficient(self, pc)
1370 def set_complementarity_coefficient(self, cc):
1371 r"""set_complementarity_coefficient(ComplementarityRestraint self, double cc)"""
1372 return _IMP_multifit.ComplementarityRestraint_set_complementarity_coefficient(self, cc)
1374 def set_boundary_coefficient(self, bc):
1375 r"""set_boundary_coefficient(ComplementarityRestraint self, double bc)"""
1376 return _IMP_multifit.ComplementarityRestraint_set_boundary_coefficient(self, bc)
1378 def get_voxel_size(self):
1379 r"""get_voxel_size(ComplementarityRestraint self) -> float"""
1380 return _IMP_multifit.ComplementarityRestraint_get_voxel_size(self)
1382 def do_get_inputs(self):
1383 r"""do_get_inputs(ComplementarityRestraint self) -> IMP::ModelObjectsTemp"""
1384 return _IMP_multifit.ComplementarityRestraint_do_get_inputs(self)
1386 def get_version_info(self):
1387 r"""get_version_info(ComplementarityRestraint self) -> VersionInfo"""
1388 return _IMP_multifit.ComplementarityRestraint_get_version_info(self)
1389 __swig_destroy__ = _IMP_multifit.delete_ComplementarityRestraint
1392 r"""__str__(ComplementarityRestraint self) -> std::string"""
1393 return _IMP_multifit.ComplementarityRestraint___str__(self)
1396 r"""__repr__(ComplementarityRestraint self) -> std::string"""
1397 return _IMP_multifit.ComplementarityRestraint___repr__(self)
1401 return _object_cast_to_ComplementarityRestraint(o)
1405 _IMP_multifit.ComplementarityRestraint_swigregister(ComplementarityRestraint)
1408 r"""read_fitting_solutions(char const * fitting_fn) -> IMP::multifit::FittingSolutionRecords"""
1409 return _IMP_multifit.read_fitting_solutions(fitting_fn)
1412 r"""write_fitting_solutions(char const * fitting_fn, IMP::multifit::FittingSolutionRecords const & fit_sols, int num_sols=-1)"""
1413 return _IMP_multifit.write_fitting_solutions(fitting_fn, fit_sols, num_sols)
1415 def convert_em_to_multifit_format(em_fits):
1416 r"""convert_em_to_multifit_format(FittingSolutions em_fits) -> IMP::multifit::FittingSolutionRecords"""
1417 return _IMP_multifit.convert_em_to_multifit_format(em_fits)
1419 def convert_multifit_to_em_format(multifit_fits):
1420 r"""convert_multifit_to_em_format(IMP::multifit::FittingSolutionRecords const & multifit_fits) -> FittingSolutions"""
1421 return _IMP_multifit.convert_multifit_to_em_format(multifit_fits)
1423 def convert_transformations_to_multifit_format(trans):
1424 r"""convert_transformations_to_multifit_format(IMP::algebra::Transformation3Ds const & trans) -> IMP::multifit::FittingSolutionRecords"""
1425 return _IMP_multifit.convert_transformations_to_multifit_format(trans)
1427 def convert_multifit_format_to_transformations(recs):
1428 r"""convert_multifit_format_to_transformations(IMP::multifit::FittingSolutionRecords const & recs) -> IMP::algebra::Transformation3Ds"""
1429 return _IMP_multifit.convert_multifit_format_to_transformations(recs)
1432 r"""get_close_to_point(IMP::multifit::FittingSolutionRecords const & fit_sols, Hierarchy mh, Particle ap, IMP::Float dist) -> IMP::multifit::FittingSolutionRecords"""
1433 return _IMP_multifit.get_close_to_point(fit_sols, mh, ap, dist)
1435 r"""Proxy of C++ IMP::multifit::ProbabilisticAnchorGraph class."""
1437 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1439 def __init__(self, anchor_positions):
1440 r"""__init__(ProbabilisticAnchorGraph self, IMP::algebra::Vector3Ds anchor_positions) -> ProbabilisticAnchorGraph"""
1441 _IMP_multifit.ProbabilisticAnchorGraph_swiginit(self, _IMP_multifit.new_ProbabilisticAnchorGraph(anchor_positions))
1443 def add_edge(self, i, j):
1444 r"""add_edge(ProbabilisticAnchorGraph self, int i, int j)"""
1445 return _IMP_multifit.ProbabilisticAnchorGraph_add_edge(self, i, j)
1447 def set_particle_probabilities_on_anchors(self, p, sols):
1448 r"""set_particle_probabilities_on_anchors(ProbabilisticAnchorGraph self, Particle p, IMP::multifit::FittingSolutionRecords sols)"""
1449 return _IMP_multifit.ProbabilisticAnchorGraph_set_particle_probabilities_on_anchors(self, p, sols)
1451 def show(self, *args):
1452 r"""show(ProbabilisticAnchorGraph self, _ostream out=std::cout)"""
1453 return _IMP_multifit.ProbabilisticAnchorGraph_show(self, *args)
1455 def get_number_of_anchors(self):
1456 r"""get_number_of_anchors(ProbabilisticAnchorGraph self) -> unsigned int"""
1457 return _IMP_multifit.ProbabilisticAnchorGraph_get_number_of_anchors(self)
1459 def get_number_of_edges(self):
1460 r"""get_number_of_edges(ProbabilisticAnchorGraph self) -> unsigned int"""
1461 return _IMP_multifit.ProbabilisticAnchorGraph_get_number_of_edges(self)
1463 def get_edge_list(self):
1464 r"""get_edge_list(ProbabilisticAnchorGraph self) -> IMP::IntRanges"""
1465 return _IMP_multifit.ProbabilisticAnchorGraph_get_edge_list(self)
1467 def get_anchors(self):
1468 r"""get_anchors(ProbabilisticAnchorGraph self) -> IMP::algebra::Vector3Ds"""
1469 return _IMP_multifit.ProbabilisticAnchorGraph_get_anchors(self)
1471 def get_particle_anchors(self, p, min_prob=0):
1472 r"""get_particle_anchors(ProbabilisticAnchorGraph self, Particle p, float min_prob=0) -> IMP::algebra::Vector3Ds"""
1473 return _IMP_multifit.ProbabilisticAnchorGraph_get_particle_anchors(self, p, min_prob)
1475 def get_are_probabilities_for_particle_set(self, p):
1476 r"""get_are_probabilities_for_particle_set(ProbabilisticAnchorGraph self, Particle p) -> bool"""
1477 return _IMP_multifit.ProbabilisticAnchorGraph_get_are_probabilities_for_particle_set(self, p)
1479 def get_particle_probabilities(self, p):
1480 r"""get_particle_probabilities(ProbabilisticAnchorGraph self, Particle p) -> IMP::Floats"""
1481 return _IMP_multifit.ProbabilisticAnchorGraph_get_particle_probabilities(self, p)
1483 def get_version_info(self):
1484 r"""get_version_info(ProbabilisticAnchorGraph self) -> VersionInfo"""
1485 return _IMP_multifit.ProbabilisticAnchorGraph_get_version_info(self)
1486 __swig_destroy__ = _IMP_multifit.delete_ProbabilisticAnchorGraph
1489 r"""__str__(ProbabilisticAnchorGraph self) -> std::string"""
1490 return _IMP_multifit.ProbabilisticAnchorGraph___str__(self)
1493 r"""__repr__(ProbabilisticAnchorGraph self) -> std::string"""
1494 return _IMP_multifit.ProbabilisticAnchorGraph___repr__(self)
1498 return _object_cast_to_ProbabilisticAnchorGraph(o)
1502 _IMP_multifit.ProbabilisticAnchorGraph_swigregister(ProbabilisticAnchorGraph)
1503 class ProteinRecordData(object):
1504 r"""Proxy of C++ IMP::multifit::ProteinRecordData class."""
1506 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1508 def reset_all(self):
1509 r"""reset_all(ProteinRecordData self)"""
1510 return _IMP_multifit.ProteinRecordData_reset_all(self)
1512 def __init__(self, *args):
1514 __init__(ProteinRecordData self) -> ProteinRecordData
1515 __init__(ProteinRecordData self, std::string const & name) -> ProteinRecordData
1516 __init__(ProteinRecordData self, std::string const & name, std::string const fn) -> ProteinRecordData
1517 __init__(ProteinRecordData self, std::string const & name, int start_res, int end_res, std::string const fn) -> ProteinRecordData
1518 __init__(ProteinRecordData self, std::string const & name, int start_res, int end_res, std::string const & fn, std::string const & surface_fn, std::string const & ref_fn) -> ProteinRecordData
1520 _IMP_multifit.ProteinRecordData_swiginit(self, _IMP_multifit.new_ProteinRecordData(*args))
1522 def show(self, *args):
1523 r"""show(ProteinRecordData self, _ostream out=std::cout)"""
1524 return _IMP_multifit.ProteinRecordData_show(self, *args)
1525 name_ = property(_IMP_multifit.ProteinRecordData_name__get, _IMP_multifit.ProteinRecordData_name__set, doc=
r"""name_ : std::string""")
1526 start_res_ = property(_IMP_multifit.ProteinRecordData_start_res__get, _IMP_multifit.ProteinRecordData_start_res__set, doc=
r"""start_res_ : int""")
1527 end_res_ = property(_IMP_multifit.ProteinRecordData_end_res__get, _IMP_multifit.ProteinRecordData_end_res__set, doc=
r"""end_res_ : int""")
1528 filename_ = property(_IMP_multifit.ProteinRecordData_filename__get, _IMP_multifit.ProteinRecordData_filename__set, doc=
r"""filename_ : std::string""")
1529 surface_filename_ = property(_IMP_multifit.ProteinRecordData_surface_filename__get, _IMP_multifit.ProteinRecordData_surface_filename__set, doc=
r"""surface_filename_ : std::string""")
1530 ref_filename_ = property(_IMP_multifit.ProteinRecordData_ref_filename__get, _IMP_multifit.ProteinRecordData_ref_filename__set, doc=
r"""ref_filename_ : std::string""")
1533 r"""__str__(ProteinRecordData self) -> std::string"""
1534 return _IMP_multifit.ProteinRecordData___str__(self)
1537 r"""__repr__(ProteinRecordData self) -> std::string"""
1538 return _IMP_multifit.ProteinRecordData___repr__(self)
1540 def _get_as_binary(self):
1541 r"""_get_as_binary(ProteinRecordData self) -> PyObject *"""
1542 return _IMP_multifit.ProteinRecordData__get_as_binary(self)
1544 def _set_from_binary(self, p):
1545 r"""_set_from_binary(ProteinRecordData self, PyObject * p)"""
1546 return _IMP_multifit.ProteinRecordData__set_from_binary(self, p)
1548 def __getstate__(self):
1549 p = self._get_as_binary()
1550 if len(self.__dict__) > 1:
1551 d = self.__dict__.copy()
1556 def __setstate__(self, p):
1557 if not hasattr(self,
'this'):
1559 if isinstance(p, tuple):
1561 self.__dict__.update(d)
1562 return self._set_from_binary(p)
1564 __swig_destroy__ = _IMP_multifit.delete_ProteinRecordData
1567 _IMP_multifit.ProteinRecordData_swigregister(ProteinRecordData)
1569 r"""Proxy of C++ IMP::multifit::ProteomicsData class."""
1571 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1574 r"""__init__(ProteomicsData self) -> ProteomicsData"""
1575 _IMP_multifit.ProteomicsData_swiginit(self, _IMP_multifit.new_ProteomicsData())
1577 def add_protein(self, *args):
1579 add_protein(ProteomicsData self, std::string name, int start_res, int end_res, std::string const & mol_fn, std::string const & surface_fn, std::string const & ref_fn) -> int
1580 add_protein(ProteomicsData self, ProteinRecordData rec) -> int
1582 return _IMP_multifit.ProteomicsData_add_protein(self, *args)
1584 def find(self, name):
1585 r"""find(ProteomicsData self, std::string const & name) -> int"""
1586 return _IMP_multifit.ProteomicsData_find(self, name)
1588 def add_interaction(self, ii, used_for_filter, linker_len):
1589 r"""add_interaction(ProteomicsData self, IMP::Ints const & ii, bool used_for_filter, float linker_len)"""
1590 return _IMP_multifit.ProteomicsData_add_interaction(self, ii, used_for_filter, linker_len)
1592 def add_cross_link_interaction(self, prot1, res1, prot2, res2, used_in_filter, linker_len):
1593 r"""add_cross_link_interaction(ProteomicsData self, IMP::Int prot1, IMP::Int res1, IMP::Int prot2, IMP::Int res2, bool used_in_filter, IMP::Float linker_len)"""
1594 return _IMP_multifit.ProteomicsData_add_cross_link_interaction(self, prot1, res1, prot2, res2, used_in_filter, linker_len)
1596 def add_ev_pair(self, prot1, prot2):
1597 r"""add_ev_pair(ProteomicsData self, IMP::Int prot1, IMP::Int prot2)"""
1598 return _IMP_multifit.ProteomicsData_add_ev_pair(self, prot1, prot2)
1600 def get_number_of_proteins(self):
1601 r"""get_number_of_proteins(ProteomicsData self) -> int"""
1602 return _IMP_multifit.ProteomicsData_get_number_of_proteins(self)
1604 def get_number_of_interactions(self):
1605 r"""get_number_of_interactions(ProteomicsData self) -> int"""
1606 return _IMP_multifit.ProteomicsData_get_number_of_interactions(self)
1608 def get_interaction(self, interaction_ind):
1609 r"""get_interaction(ProteomicsData self, int interaction_ind) -> IMP::Ints"""
1610 return _IMP_multifit.ProteomicsData_get_interaction(self, interaction_ind)
1612 def get_interaction_part_of_filter(self, interaction_ind):
1613 r"""get_interaction_part_of_filter(ProteomicsData self, int interaction_ind) -> bool"""
1614 return _IMP_multifit.ProteomicsData_get_interaction_part_of_filter(self, interaction_ind)
1616 def get_interaction_linker_length(self, interaction_ind):
1617 r"""get_interaction_linker_length(ProteomicsData self, int interaction_ind) -> int"""
1618 return _IMP_multifit.ProteomicsData_get_interaction_linker_length(self, interaction_ind)
1620 def get_number_of_cross_links(self):
1621 r"""get_number_of_cross_links(ProteomicsData self) -> int"""
1622 return _IMP_multifit.ProteomicsData_get_number_of_cross_links(self)
1624 def get_cross_link(self, xlink_ind):
1625 r"""get_cross_link(ProteomicsData self, int xlink_ind) -> std::pair< IMP::IntPair,IMP::IntPair >"""
1626 return _IMP_multifit.ProteomicsData_get_cross_link(self, xlink_ind)
1628 def get_cross_link_part_of_filter(self, xlink_ind):
1629 r"""get_cross_link_part_of_filter(ProteomicsData self, int xlink_ind) -> bool"""
1630 return _IMP_multifit.ProteomicsData_get_cross_link_part_of_filter(self, xlink_ind)
1632 def get_cross_link_length(self, xlink_ind):
1633 r"""get_cross_link_length(ProteomicsData self, int xlink_ind) -> float"""
1634 return _IMP_multifit.ProteomicsData_get_cross_link_length(self, xlink_ind)
1636 def get_number_of_ev_pairs(self):
1637 r"""get_number_of_ev_pairs(ProteomicsData self) -> int"""
1638 return _IMP_multifit.ProteomicsData_get_number_of_ev_pairs(self)
1640 def get_ev_pair(self, ev_ind):
1641 r"""get_ev_pair(ProteomicsData self, int ev_ind) -> IMP::IntPair"""
1642 return _IMP_multifit.ProteomicsData_get_ev_pair(self, ev_ind)
1644 def get_protein_name(self, protein_ind):
1645 r"""get_protein_name(ProteomicsData self, int protein_ind) -> std::string"""
1646 return _IMP_multifit.ProteomicsData_get_protein_name(self, protein_ind)
1648 def get_end_res(self, protein_ind):
1649 r"""get_end_res(ProteomicsData self, int protein_ind) -> int"""
1650 return _IMP_multifit.ProteomicsData_get_end_res(self, protein_ind)
1652 def get_start_res(self, protein_ind):
1653 r"""get_start_res(ProteomicsData self, int protein_ind) -> int"""
1654 return _IMP_multifit.ProteomicsData_get_start_res(self, protein_ind)
1656 def get_protein_filename(self, protein_ind):
1657 r"""get_protein_filename(ProteomicsData self, int protein_ind) -> std::string"""
1658 return _IMP_multifit.ProteomicsData_get_protein_filename(self, protein_ind)
1660 def get_reference_filename(self, protein_ind):
1661 r"""get_reference_filename(ProteomicsData self, int protein_ind) -> std::string"""
1662 return _IMP_multifit.ProteomicsData_get_reference_filename(self, protein_ind)
1664 def get_surface_filename(self, protein_ind):
1665 r"""get_surface_filename(ProteomicsData self, int protein_ind) -> std::string"""
1666 return _IMP_multifit.ProteomicsData_get_surface_filename(self, protein_ind)
1668 def get_protein_data(self, protein_ind):
1669 r"""get_protein_data(ProteomicsData self, int protein_ind) -> ProteinRecordData"""
1670 return _IMP_multifit.ProteomicsData_get_protein_data(self, protein_ind)
1672 def get_version_info(self):
1673 r"""get_version_info(ProteomicsData self) -> VersionInfo"""
1674 return _IMP_multifit.ProteomicsData_get_version_info(self)
1675 __swig_destroy__ = _IMP_multifit.delete_ProteomicsData
1677 def get_num_allowed_violated_interactions(self):
1678 r"""get_num_allowed_violated_interactions(ProteomicsData self) -> int"""
1679 return _IMP_multifit.ProteomicsData_get_num_allowed_violated_interactions(self)
1681 def set_num_allowed_violated_interactions(self, n):
1682 r"""set_num_allowed_violated_interactions(ProteomicsData self, int n)"""
1683 return _IMP_multifit.ProteomicsData_set_num_allowed_violated_interactions(self, n)
1685 def get_num_allowed_violated_cross_links(self):
1686 r"""get_num_allowed_violated_cross_links(ProteomicsData self) -> int"""
1687 return _IMP_multifit.ProteomicsData_get_num_allowed_violated_cross_links(self)
1689 def set_num_allowed_violated_cross_links(self, n):
1690 r"""set_num_allowed_violated_cross_links(ProteomicsData self, int n)"""
1691 return _IMP_multifit.ProteomicsData_set_num_allowed_violated_cross_links(self, n)
1693 def get_num_allowed_violated_ev(self):
1694 r"""get_num_allowed_violated_ev(ProteomicsData self) -> int"""
1695 return _IMP_multifit.ProteomicsData_get_num_allowed_violated_ev(self)
1697 def set_num_allowed_violated_ev(self, n):
1698 r"""set_num_allowed_violated_ev(ProteomicsData self, int n)"""
1699 return _IMP_multifit.ProteomicsData_set_num_allowed_violated_ev(self, n)
1702 r"""__str__(ProteomicsData self) -> std::string"""
1703 return _IMP_multifit.ProteomicsData___str__(self)
1706 r"""__repr__(ProteomicsData self) -> std::string"""
1707 return _IMP_multifit.ProteomicsData___repr__(self)
1711 return _object_cast_to_ProteomicsData(o)
1715 _IMP_multifit.ProteomicsData_swigregister(ProteomicsData)
1718 r"""read_proteomics_data(char const * proteomics_fn) -> ProteomicsData"""
1719 return _IMP_multifit.read_proteomics_data(proteomics_fn)
1721 def get_partial_proteomics_data(pd, prot_names):
1722 r"""get_partial_proteomics_data(ProteomicsData pd, IMP::Strings const & prot_names) -> ProteomicsData"""
1723 return _IMP_multifit.get_partial_proteomics_data(pd, prot_names)
1724 class AnchorsData(object):
1725 r"""Proxy of C++ IMP::multifit::AnchorsData class."""
1727 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1729 def __init__(self, *args):
1731 __init__(AnchorsData self) -> AnchorsData
1732 __init__(AnchorsData self, IMP::algebra::Vector3Ds points, IMP::IntPairs edges) -> AnchorsData
1734 _IMP_multifit.AnchorsData_swiginit(self, _IMP_multifit.new_AnchorsData(*args))
1736 def remove_edges_for_node(self, node_ind):
1737 r"""remove_edges_for_node(AnchorsData self, int node_ind)"""
1738 return _IMP_multifit.AnchorsData_remove_edges_for_node(self, node_ind)
1740 def get_number_of_points(self):
1741 r"""get_number_of_points(AnchorsData self) -> int"""
1742 return _IMP_multifit.AnchorsData_get_number_of_points(self)
1744 def get_number_of_edges(self):
1745 r"""get_number_of_edges(AnchorsData self) -> int"""
1746 return _IMP_multifit.AnchorsData_get_number_of_edges(self)
1748 def get_is_point_considered(self, node_ind):
1749 r"""get_is_point_considered(AnchorsData self, int node_ind) -> bool"""
1750 return _IMP_multifit.AnchorsData_get_is_point_considered(self, node_ind)
1752 def show(self, *args):
1753 r"""show(AnchorsData self, _ostream out=std::cout)"""
1754 return _IMP_multifit.AnchorsData_show(self, *args)
1756 def get_secondary_structure_is_set(self):
1757 r"""get_secondary_structure_is_set(AnchorsData self) -> bool"""
1758 return _IMP_multifit.AnchorsData_get_secondary_structure_is_set(self)
1760 def setup_secondary_structure(self, mdl):
1761 r"""setup_secondary_structure(AnchorsData self, Model mdl)"""
1762 return _IMP_multifit.AnchorsData_setup_secondary_structure(self, mdl)
1764 def set_secondary_structure_probabilities(self, *args):
1765 r"""set_secondary_structure_probabilities(AnchorsData self, IMP::Particles const & ssres_ps, IMP::Ints const & indices=IMP::Ints())"""
1766 return _IMP_multifit.AnchorsData_set_secondary_structure_probabilities(self, *args)
1768 def get_secondary_structure_particles(self):
1769 r"""get_secondary_structure_particles(AnchorsData self) -> IMP::Particles"""
1770 return _IMP_multifit.AnchorsData_get_secondary_structure_particles(self)
1771 points_ = property(_IMP_multifit.AnchorsData_points__get, _IMP_multifit.AnchorsData_points__set, doc=
r"""points_ : IMP::algebra::Vector3Ds""")
1772 consider_point_ = property(_IMP_multifit.AnchorsData_consider_point__get, _IMP_multifit.AnchorsData_consider_point__set, doc=
r"""consider_point_ : std::vector<(bool,std::allocator<(bool)>)>""")
1773 edges_ = property(_IMP_multifit.AnchorsData_edges__get, _IMP_multifit.AnchorsData_edges__set, doc=
r"""edges_ : IMP::IntPairs""")
1776 r"""__str__(AnchorsData self) -> std::string"""
1777 return _IMP_multifit.AnchorsData___str__(self)
1780 r"""__repr__(AnchorsData self) -> std::string"""
1781 return _IMP_multifit.AnchorsData___repr__(self)
1782 __swig_destroy__ = _IMP_multifit.delete_AnchorsData
1785 _IMP_multifit.AnchorsData_swigregister(AnchorsData)
1787 def read_anchors_data(txt_filename):
1788 r"""read_anchors_data(char const * txt_filename) -> AnchorsData"""
1789 return _IMP_multifit.read_anchors_data(txt_filename)
1791 def write_txt(txt_filename, ad):
1792 r"""write_txt(std::string const & txt_filename, AnchorsData ad)"""
1793 return _IMP_multifit.write_txt(txt_filename, ad)
1795 def write_cmm(cmm_filename, marker_set_name, dpa):
1796 r"""write_cmm(std::string const & cmm_filename, std::string const & marker_set_name, AnchorsData dpa)"""
1797 return _IMP_multifit.write_cmm(cmm_filename, marker_set_name, dpa)
1800 r"""create_coarse_molecule_from_density(DensityMap dmap, float dens_threshold, int num_beads, Model mdl, float bead_radius) -> Hierarchy"""
1801 return _IMP_multifit.create_coarse_molecule_from_density(dmap, dens_threshold, num_beads, mdl, bead_radius)
1803 def create_hit_map(rb, rb_ref, sols, damp):
1804 r"""create_hit_map(RigidBody rb, Refiner rb_ref, IMP::multifit::FittingSolutionRecords const & sols, DensityMap damp) -> DensityMap"""
1805 return _IMP_multifit.create_hit_map(rb, rb_ref, sols, damp)
1808 r"""get_points_close_to_molecule(Hierarchy mh, IMP::algebra::Vector3Ds const points, IMP::Float max_dist) -> IMP::algebra::Vector3Ds"""
1809 return _IMP_multifit.get_points_close_to_molecule(mh, points, max_dist)
1811 def get_points_far_from_molecule(mh, points, max_dist):
1812 r"""get_points_far_from_molecule(Hierarchy mh, IMP::algebra::Vector3Ds const points, IMP::Float max_dist) -> IMP::algebra::Vector3Ds"""
1813 return _IMP_multifit.get_points_far_from_molecule(mh, points, max_dist)
1815 r"""Proxy of C++ IMP::multifit::RadiusOfGyrationRestraint class."""
1817 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1819 def __init__(self, ps, num_residues, scale=1.):
1820 r"""__init__(RadiusOfGyrationRestraint self, IMP::Particles ps, int num_residues, IMP::Float scale=1.) -> RadiusOfGyrationRestraint"""
1821 _IMP_multifit.RadiusOfGyrationRestraint_swiginit(self, _IMP_multifit.new_RadiusOfGyrationRestraint(ps, num_residues, scale))
1823 def do_get_inputs(self):
1824 r"""do_get_inputs(RadiusOfGyrationRestraint self) -> IMP::ModelObjectsTemp"""
1825 return _IMP_multifit.RadiusOfGyrationRestraint_do_get_inputs(self)
1827 def get_version_info(self):
1828 r"""get_version_info(RadiusOfGyrationRestraint self) -> VersionInfo"""
1829 return _IMP_multifit.RadiusOfGyrationRestraint_get_version_info(self)
1830 __swig_destroy__ = _IMP_multifit.delete_RadiusOfGyrationRestraint
1832 def set_radius_of_gyration(self, r):
1833 r"""set_radius_of_gyration(RadiusOfGyrationRestraint self, IMP::Float r)"""
1834 return _IMP_multifit.RadiusOfGyrationRestraint_set_radius_of_gyration(self, r)
1837 r"""get_radius_of_gyration(RadiusOfGyrationRestraint self) -> IMP::Float"""
1838 return _IMP_multifit.RadiusOfGyrationRestraint_get_radius_of_gyration(self)
1841 r"""__str__(RadiusOfGyrationRestraint self) -> std::string"""
1842 return _IMP_multifit.RadiusOfGyrationRestraint___str__(self)
1845 r"""__repr__(RadiusOfGyrationRestraint self) -> std::string"""
1846 return _IMP_multifit.RadiusOfGyrationRestraint___repr__(self)
1850 return _object_cast_to_RadiusOfGyrationRestraint(o)
1854 _IMP_multifit.RadiusOfGyrationRestraint_swigregister(RadiusOfGyrationRestraint)
1856 def get_approximated_radius_of_gyration(len):
1857 r"""get_approximated_radius_of_gyration(int len) -> float"""
1858 return _IMP_multifit.get_approximated_radius_of_gyration(len)
1860 def get_actual_radius_of_gyration(ps):
1861 r"""get_actual_radius_of_gyration(IMP::ParticlesTemp ps) -> float"""
1862 return _IMP_multifit.get_actual_radius_of_gyration(ps)
1864 def get_approximated_radius(len):
1865 r"""get_approximated_radius(int len) -> float"""
1866 return _IMP_multifit.get_approximated_radius(len)
1867 class ProteinsAnchorsSamplingSpace(object):
1868 r"""Proxy of C++ IMP::multifit::ProteinsAnchorsSamplingSpace class."""
1870 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1872 def __init__(self, prots=None):
1873 r"""__init__(ProteinsAnchorsSamplingSpace self, ProteomicsData prots=None) -> ProteinsAnchorsSamplingSpace"""
1874 _IMP_multifit.ProteinsAnchorsSamplingSpace_swiginit(self, _IMP_multifit.new_ProteinsAnchorsSamplingSpace(prots))
1876 def set_anchors(self, data):
1877 r"""set_anchors(ProteinsAnchorsSamplingSpace self, AnchorsData data)"""
1878 return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_anchors(self, data)
1880 def get_anchors(self):
1881 r"""get_anchors(ProteinsAnchorsSamplingSpace self) -> AnchorsData"""
1882 return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_anchors(self)
1884 def get_anchors_filename(self):
1885 r"""get_anchors_filename(ProteinsAnchorsSamplingSpace self) -> std::string"""
1886 return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_anchors_filename(self)
1888 def set_anchors_filename(self, fn):
1889 r"""set_anchors_filename(ProteinsAnchorsSamplingSpace self, std::string const & fn)"""
1890 return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_anchors_filename(self, fn)
1892 def get_proteomics_data(self):
1893 r"""get_proteomics_data(ProteinsAnchorsSamplingSpace self) -> ProteomicsData"""
1894 return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_proteomics_data(self)
1896 def add_protein(self, rec):
1897 r"""add_protein(ProteinsAnchorsSamplingSpace self, ProteinRecordData rec)"""
1898 return _IMP_multifit.ProteinsAnchorsSamplingSpace_add_protein(self, rec)
1900 def get_paths_for_protein(self, prot_name):
1901 r"""get_paths_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name) -> IMP::IntsList"""
1902 return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_paths_for_protein(self, prot_name)
1904 def set_paths_filename_for_protein(self, prot_name, paths_filename):
1905 r"""set_paths_filename_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name, std::string const & paths_filename)"""
1906 return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_paths_filename_for_protein(self, prot_name, paths_filename)
1908 def get_paths_filename_for_protein(self, prot_name):
1909 r"""get_paths_filename_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name) -> std::string"""
1910 return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_paths_filename_for_protein(self, prot_name)
1912 def set_paths_for_protein(self, prot_name, paths):
1913 r"""set_paths_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name, IMP::IntsList paths)"""
1914 return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_paths_for_protein(self, prot_name, paths)
1916 def show(self, *args):
1917 r"""show(ProteinsAnchorsSamplingSpace self, _ostream s=std::cout)"""
1918 return _IMP_multifit.ProteinsAnchorsSamplingSpace_show(self, *args)
1921 r"""__str__(ProteinsAnchorsSamplingSpace self) -> std::string"""
1922 return _IMP_multifit.ProteinsAnchorsSamplingSpace___str__(self)
1925 r"""__repr__(ProteinsAnchorsSamplingSpace self) -> std::string"""
1926 return _IMP_multifit.ProteinsAnchorsSamplingSpace___repr__(self)
1927 __swig_destroy__ = _IMP_multifit.delete_ProteinsAnchorsSamplingSpace
1930 _IMP_multifit.ProteinsAnchorsSamplingSpace_swigregister(ProteinsAnchorsSamplingSpace)
1932 def read_protein_anchors_mapping(*args):
1933 r"""read_protein_anchors_mapping(ProteomicsData prots, std::string const & anchors_prot_map_fn, int max_paths=INT_MAX) -> ProteinsAnchorsSamplingSpace"""
1934 return _IMP_multifit.read_protein_anchors_mapping(*args)
1936 def write_protein_anchors_mapping(*args):
1938 write_protein_anchors_mapping(std::string const & anchors_prot_map_fn, std::string const & anchors_fn, std::vector< std::pair< IMP::String,IMP::String >,std::allocator< std::pair< IMP::String,IMP::String > > > const & prot_paths)
1939 write_protein_anchors_mapping(std::string const & anchors_prot_map_fn, ProteinsAnchorsSamplingSpace pa, IMP::Strings const & prot_names)
1941 return _IMP_multifit.write_protein_anchors_mapping(*args)
1944 r"""get_part_of_sampling_space(ProteinsAnchorsSamplingSpace prots_ss, IMP::Strings const & prot_names) -> ProteinsAnchorsSamplingSpace"""
1945 return _IMP_multifit.get_part_of_sampling_space(prots_ss, prot_names)
1948 r"""get_partial_assembly_setting_data(SettingsData prots_sd, IMP::Strings const & prot_names) -> SettingsData"""
1949 return _IMP_multifit.get_partial_assembly_setting_data(prots_sd, prot_names)
1952 r"""read_paths(char const * txt_filename, int max_paths=INT_MAX) -> IMP::IntsList"""
1953 return _IMP_multifit.read_paths(*args)
1955 def write_paths(paths, txt_filename):
1956 r"""write_paths(IMP::IntsList const & paths, std::string const & txt_filename)"""
1957 return _IMP_multifit.write_paths(paths, txt_filename)
1959 def molecule2anchors(mh, k):
1960 r"""molecule2anchors(Hierarchy mh, int k) -> AnchorsData"""
1961 return _IMP_multifit.molecule2anchors(mh, k)
1963 def get_anchors_for_density(dmap, number_of_means, density_threshold, pdb_filename, cmm_filename, seg_filename, txt_filename):
1964 r"""get_anchors_for_density(DensityMap dmap, int number_of_means, float density_threshold, std::string pdb_filename, std::string cmm_filename, std::string seg_filename, std::string txt_filename)"""
1965 return _IMP_multifit.get_anchors_for_density(dmap, number_of_means, density_threshold, pdb_filename, cmm_filename, seg_filename, txt_filename)
1968 r"""get_anchor_indices_matching_secondary_structure(AnchorsData ad, IMP::atom::SecondaryStructureResidues const & ssrs, IMP::Float max_rmsd=0.7) -> IMP::IntsList"""
1969 return _IMP_multifit.get_anchor_indices_matching_secondary_structure(ad, ssrs, max_rmsd)
1970 class DominoParams(object):
1971 r"""Proxy of C++ IMP::multifit::DominoParams class."""
1973 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1976 r"""__init__(DominoParams self) -> DominoParams"""
1977 _IMP_multifit.DominoParams_swiginit(self, _IMP_multifit.new_DominoParams())
1980 r"""add(DominoParams self, boost::property_tree::ptree const & pt)"""
1981 return _IMP_multifit.DominoParams_add(self, pt)
1983 def show(self, *args):
1984 r"""show(DominoParams self, _ostream s=std::cout)"""
1985 return _IMP_multifit.DominoParams_show(self, *args)
1986 max_value_threshold_ = property(_IMP_multifit.DominoParams_max_value_threshold__get, _IMP_multifit.DominoParams_max_value_threshold__set, doc=
r"""max_value_threshold_ : float""")
1987 max_num_states_for_subset_ = property(_IMP_multifit.DominoParams_max_num_states_for_subset__get, _IMP_multifit.DominoParams_max_num_states_for_subset__set, doc=
r"""max_num_states_for_subset_ : int""")
1988 max_anchor_penetration_ = property(_IMP_multifit.DominoParams_max_anchor_penetration__get, _IMP_multifit.DominoParams_max_anchor_penetration__set, doc=
r"""max_anchor_penetration_ : float""")
1989 heap_size_ = property(_IMP_multifit.DominoParams_heap_size__get, _IMP_multifit.DominoParams_heap_size__set, doc=
r"""heap_size_ : int""")
1990 cache_size_ = property(_IMP_multifit.DominoParams_cache_size__get, _IMP_multifit.DominoParams_cache_size__set, doc=
r"""cache_size_ : int""")
1993 r"""__str__(DominoParams self) -> std::string"""
1994 return _IMP_multifit.DominoParams___str__(self)
1997 r"""__repr__(DominoParams self) -> std::string"""
1998 return _IMP_multifit.DominoParams___repr__(self)
2000 def _get_as_binary(self):
2001 r"""_get_as_binary(DominoParams self) -> PyObject *"""
2002 return _IMP_multifit.DominoParams__get_as_binary(self)
2004 def _set_from_binary(self, p):
2005 r"""_set_from_binary(DominoParams self, PyObject * p)"""
2006 return _IMP_multifit.DominoParams__set_from_binary(self, p)
2008 def __getstate__(self):
2009 p = self._get_as_binary()
2010 if len(self.__dict__) > 1:
2011 d = self.__dict__.copy()
2016 def __setstate__(self, p):
2017 if not hasattr(self,
'this'):
2019 if isinstance(p, tuple):
2021 self.__dict__.update(d)
2022 return self._set_from_binary(p)
2024 __swig_destroy__ = _IMP_multifit.delete_DominoParams
2027 _IMP_multifit.DominoParams_swigregister(DominoParams)
2028 class XlinkParams(object):
2029 r"""Proxy of C++ IMP::multifit::XlinkParams class."""
2031 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2034 r"""__init__(XlinkParams self) -> XlinkParams"""
2035 _IMP_multifit.XlinkParams_swiginit(self, _IMP_multifit.new_XlinkParams())
2038 r"""add(XlinkParams self, boost::property_tree::ptree const & pt)"""
2039 return _IMP_multifit.XlinkParams_add(self, pt)
2041 def show(self, *args):
2042 r"""show(XlinkParams self, _ostream s=std::cout)"""
2043 return _IMP_multifit.XlinkParams_show(self, *args)
2044 upper_bound_ = property(_IMP_multifit.XlinkParams_upper_bound__get, _IMP_multifit.XlinkParams_upper_bound__set, doc=
r"""upper_bound_ : float""")
2045 k_ = property(_IMP_multifit.XlinkParams_k__get, _IMP_multifit.XlinkParams_k__set, doc=
r"""k_ : float""")
2046 max_xlink_val_ = property(_IMP_multifit.XlinkParams_max_xlink_val__get, _IMP_multifit.XlinkParams_max_xlink_val__set, doc=
r"""max_xlink_val_ : float""")
2047 treat_between_residues_ = property(_IMP_multifit.XlinkParams_treat_between_residues__get, _IMP_multifit.XlinkParams_treat_between_residues__set, doc=
r"""treat_between_residues_ : bool""")
2050 r"""__str__(XlinkParams self) -> std::string"""
2051 return _IMP_multifit.XlinkParams___str__(self)
2054 r"""__repr__(XlinkParams self) -> std::string"""
2055 return _IMP_multifit.XlinkParams___repr__(self)
2057 def _get_as_binary(self):
2058 r"""_get_as_binary(XlinkParams self) -> PyObject *"""
2059 return _IMP_multifit.XlinkParams__get_as_binary(self)
2061 def _set_from_binary(self, p):
2062 r"""_set_from_binary(XlinkParams self, PyObject * p)"""
2063 return _IMP_multifit.XlinkParams__set_from_binary(self, p)
2065 def __getstate__(self):
2066 p = self._get_as_binary()
2067 if len(self.__dict__) > 1:
2068 d = self.__dict__.copy()
2073 def __setstate__(self, p):
2074 if not hasattr(self,
'this'):
2076 if isinstance(p, tuple):
2078 self.__dict__.update(d)
2079 return self._set_from_binary(p)
2081 __swig_destroy__ = _IMP_multifit.delete_XlinkParams
2084 _IMP_multifit.XlinkParams_swigregister(XlinkParams)
2085 class ConnectivityParams(object):
2086 r"""Proxy of C++ IMP::multifit::ConnectivityParams class."""
2088 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2091 r"""__init__(ConnectivityParams self) -> ConnectivityParams"""
2092 _IMP_multifit.ConnectivityParams_swiginit(self, _IMP_multifit.new_ConnectivityParams())
2095 r"""add(ConnectivityParams self, boost::property_tree::ptree const & pt)"""
2096 return _IMP_multifit.ConnectivityParams_add(self, pt)
2098 def show(self, *args):
2099 r"""show(ConnectivityParams self, _ostream s=std::cout)"""
2100 return _IMP_multifit.ConnectivityParams_show(self, *args)
2101 upper_bound_ = property(_IMP_multifit.ConnectivityParams_upper_bound__get, _IMP_multifit.ConnectivityParams_upper_bound__set, doc=
r"""upper_bound_ : float""")
2102 k_ = property(_IMP_multifit.ConnectivityParams_k__get, _IMP_multifit.ConnectivityParams_k__set, doc=
r"""k_ : float""")
2103 max_conn_rest_val_ = property(_IMP_multifit.ConnectivityParams_max_conn_rest_val__get, _IMP_multifit.ConnectivityParams_max_conn_rest_val__set, doc=
r"""max_conn_rest_val_ : float""")
2106 r"""__str__(ConnectivityParams self) -> std::string"""
2107 return _IMP_multifit.ConnectivityParams___str__(self)
2110 r"""__repr__(ConnectivityParams self) -> std::string"""
2111 return _IMP_multifit.ConnectivityParams___repr__(self)
2113 def _get_as_binary(self):
2114 r"""_get_as_binary(ConnectivityParams self) -> PyObject *"""
2115 return _IMP_multifit.ConnectivityParams__get_as_binary(self)
2117 def _set_from_binary(self, p):
2118 r"""_set_from_binary(ConnectivityParams self, PyObject * p)"""
2119 return _IMP_multifit.ConnectivityParams__set_from_binary(self, p)
2121 def __getstate__(self):
2122 p = self._get_as_binary()
2123 if len(self.__dict__) > 1:
2124 d = self.__dict__.copy()
2129 def __setstate__(self, p):
2130 if not hasattr(self,
'this'):
2132 if isinstance(p, tuple):
2134 self.__dict__.update(d)
2135 return self._set_from_binary(p)
2137 __swig_destroy__ = _IMP_multifit.delete_ConnectivityParams
2140 _IMP_multifit.ConnectivityParams_swigregister(ConnectivityParams)
2141 class FragmentsParams(object):
2142 r"""Proxy of C++ IMP::multifit::FragmentsParams class."""
2144 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2147 r"""__init__(FragmentsParams self) -> FragmentsParams"""
2148 _IMP_multifit.FragmentsParams_swiginit(self, _IMP_multifit.new_FragmentsParams())
2151 r"""add(FragmentsParams self, boost::property_tree::ptree const & pt)"""
2152 return _IMP_multifit.FragmentsParams_add(self, pt)
2154 def show(self, *args):
2155 r"""show(FragmentsParams self, _ostream s=std::cout)"""
2156 return _IMP_multifit.FragmentsParams_show(self, *args)
2157 frag_len_ = property(_IMP_multifit.FragmentsParams_frag_len__get, _IMP_multifit.FragmentsParams_frag_len__set, doc=
r"""frag_len_ : int""")
2158 bead_radius_scale_ = property(_IMP_multifit.FragmentsParams_bead_radius_scale__get, _IMP_multifit.FragmentsParams_bead_radius_scale__set, doc=
r"""bead_radius_scale_ : float""")
2159 load_atomic_ = property(_IMP_multifit.FragmentsParams_load_atomic__get, _IMP_multifit.FragmentsParams_load_atomic__set, doc=
r"""load_atomic_ : bool""")
2160 subunit_rigid_ = property(_IMP_multifit.FragmentsParams_subunit_rigid__get, _IMP_multifit.FragmentsParams_subunit_rigid__set, doc=
r"""subunit_rigid_ : bool""")
2163 r"""__str__(FragmentsParams self) -> std::string"""
2164 return _IMP_multifit.FragmentsParams___str__(self)
2167 r"""__repr__(FragmentsParams self) -> std::string"""
2168 return _IMP_multifit.FragmentsParams___repr__(self)
2170 def _get_as_binary(self):
2171 r"""_get_as_binary(FragmentsParams self) -> PyObject *"""
2172 return _IMP_multifit.FragmentsParams__get_as_binary(self)
2174 def _set_from_binary(self, p):
2175 r"""_set_from_binary(FragmentsParams self, PyObject * p)"""
2176 return _IMP_multifit.FragmentsParams__set_from_binary(self, p)
2178 def __getstate__(self):
2179 p = self._get_as_binary()
2180 if len(self.__dict__) > 1:
2181 d = self.__dict__.copy()
2186 def __setstate__(self, p):
2187 if not hasattr(self,
'this'):
2189 if isinstance(p, tuple):
2191 self.__dict__.update(d)
2192 return self._set_from_binary(p)
2194 __swig_destroy__ = _IMP_multifit.delete_FragmentsParams
2197 _IMP_multifit.FragmentsParams_swigregister(FragmentsParams)
2198 class RogParams(object):
2199 r"""Proxy of C++ IMP::multifit::RogParams class."""
2201 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2204 r"""__init__(RogParams self) -> RogParams"""
2205 _IMP_multifit.RogParams_swiginit(self, _IMP_multifit.new_RogParams())
2208 r"""add(RogParams self, boost::property_tree::ptree const & pt)"""
2209 return _IMP_multifit.RogParams_add(self, pt)
2211 def get_max_score(self):
2212 r"""get_max_score(RogParams self) -> float"""
2213 return _IMP_multifit.RogParams_get_max_score(self)
2215 def get_scale(self):
2216 r"""get_scale(RogParams self) -> float"""
2217 return _IMP_multifit.RogParams_get_scale(self)
2219 def show(self, *args):
2220 r"""show(RogParams self, _ostream s=std::cout)"""
2221 return _IMP_multifit.RogParams_show(self, *args)
2224 r"""__str__(RogParams self) -> std::string"""
2225 return _IMP_multifit.RogParams___str__(self)
2228 r"""__repr__(RogParams self) -> std::string"""
2229 return _IMP_multifit.RogParams___repr__(self)
2231 def _get_as_binary(self):
2232 r"""_get_as_binary(RogParams self) -> PyObject *"""
2233 return _IMP_multifit.RogParams__get_as_binary(self)
2235 def _set_from_binary(self, p):
2236 r"""_set_from_binary(RogParams self, PyObject * p)"""
2237 return _IMP_multifit.RogParams__set_from_binary(self, p)
2239 def __getstate__(self):
2240 p = self._get_as_binary()
2241 if len(self.__dict__) > 1:
2242 d = self.__dict__.copy()
2247 def __setstate__(self, p):
2248 if not hasattr(self,
'this'):
2250 if isinstance(p, tuple):
2252 self.__dict__.update(d)
2253 return self._set_from_binary(p)
2255 __swig_destroy__ = _IMP_multifit.delete_RogParams
2258 _IMP_multifit.RogParams_swigregister(RogParams)
2259 class EVParams(object):
2260 r"""Proxy of C++ IMP::multifit::EVParams class."""
2262 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2265 r"""__init__(EVParams self) -> EVParams"""
2266 _IMP_multifit.EVParams_swiginit(self, _IMP_multifit.new_EVParams())
2269 r"""add(EVParams self, boost::property_tree::ptree const & pt)"""
2270 return _IMP_multifit.EVParams_add(self, pt)
2272 def show(self, *args):
2273 r"""show(EVParams self, _ostream s=std::cout)"""
2274 return _IMP_multifit.EVParams_show(self, *args)
2275 pair_distance_ = property(_IMP_multifit.EVParams_pair_distance__get, _IMP_multifit.EVParams_pair_distance__set, doc=
r"""pair_distance_ : float""")
2276 pair_slack_ = property(_IMP_multifit.EVParams_pair_slack__get, _IMP_multifit.EVParams_pair_slack__set, doc=
r"""pair_slack_ : float""")
2277 hlb_mean_ = property(_IMP_multifit.EVParams_hlb_mean__get, _IMP_multifit.EVParams_hlb_mean__set, doc=
r"""hlb_mean_ : float""")
2278 hlb_k_ = property(_IMP_multifit.EVParams_hlb_k__get, _IMP_multifit.EVParams_hlb_k__set, doc=
r"""hlb_k_ : float""")
2279 maximum_ev_score_for_pair_ = property(_IMP_multifit.EVParams_maximum_ev_score_for_pair__get, _IMP_multifit.EVParams_maximum_ev_score_for_pair__set, doc=
r"""maximum_ev_score_for_pair_ : float""")
2280 allowed_percentage_of_bad_pairs_ = property(_IMP_multifit.EVParams_allowed_percentage_of_bad_pairs__get, _IMP_multifit.EVParams_allowed_percentage_of_bad_pairs__set, doc=
r"""allowed_percentage_of_bad_pairs_ : float""")
2281 scoring_mode_ = property(_IMP_multifit.EVParams_scoring_mode__get, _IMP_multifit.EVParams_scoring_mode__set, doc=
r"""scoring_mode_ : int""")
2284 r"""__str__(EVParams self) -> std::string"""
2285 return _IMP_multifit.EVParams___str__(self)
2288 r"""__repr__(EVParams self) -> std::string"""
2289 return _IMP_multifit.EVParams___repr__(self)
2291 def _get_as_binary(self):
2292 r"""_get_as_binary(EVParams self) -> PyObject *"""
2293 return _IMP_multifit.EVParams__get_as_binary(self)
2295 def _set_from_binary(self, p):
2296 r"""_set_from_binary(EVParams self, PyObject * p)"""
2297 return _IMP_multifit.EVParams__set_from_binary(self, p)
2299 def __getstate__(self):
2300 p = self._get_as_binary()
2301 if len(self.__dict__) > 1:
2302 d = self.__dict__.copy()
2307 def __setstate__(self, p):
2308 if not hasattr(self,
'this'):
2310 if isinstance(p, tuple):
2312 self.__dict__.update(d)
2313 return self._set_from_binary(p)
2315 __swig_destroy__ = _IMP_multifit.delete_EVParams
2318 _IMP_multifit.EVParams_swigregister(EVParams)
2319 class FiltersParams(object):
2320 r"""Proxy of C++ IMP::multifit::FiltersParams class."""
2322 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2325 r"""__init__(FiltersParams self) -> FiltersParams"""
2326 _IMP_multifit.FiltersParams_swiginit(self, _IMP_multifit.new_FiltersParams())
2329 r"""add(FiltersParams self, boost::property_tree::ptree const & pt)"""
2330 return _IMP_multifit.FiltersParams_add(self, pt)
2332 def show(self, *args):
2333 r"""show(FiltersParams self, _ostream s=std::cout)"""
2334 return _IMP_multifit.FiltersParams_show(self, *args)
2335 max_num_violated_xlink_ = property(_IMP_multifit.FiltersParams_max_num_violated_xlink__get, _IMP_multifit.FiltersParams_max_num_violated_xlink__set, doc=
r"""max_num_violated_xlink_ : int""")
2336 max_num_violated_conn_ = property(_IMP_multifit.FiltersParams_max_num_violated_conn__get, _IMP_multifit.FiltersParams_max_num_violated_conn__set, doc=
r"""max_num_violated_conn_ : int""")
2337 max_num_violated_ev_ = property(_IMP_multifit.FiltersParams_max_num_violated_ev__get, _IMP_multifit.FiltersParams_max_num_violated_ev__set, doc=
r"""max_num_violated_ev_ : int""")
2340 r"""__str__(FiltersParams self) -> std::string"""
2341 return _IMP_multifit.FiltersParams___str__(self)
2344 r"""__repr__(FiltersParams self) -> std::string"""
2345 return _IMP_multifit.FiltersParams___repr__(self)
2347 def _get_as_binary(self):
2348 r"""_get_as_binary(FiltersParams self) -> PyObject *"""
2349 return _IMP_multifit.FiltersParams__get_as_binary(self)
2351 def _set_from_binary(self, p):
2352 r"""_set_from_binary(FiltersParams self, PyObject * p)"""
2353 return _IMP_multifit.FiltersParams__set_from_binary(self, p)
2355 def __getstate__(self):
2356 p = self._get_as_binary()
2357 if len(self.__dict__) > 1:
2358 d = self.__dict__.copy()
2363 def __setstate__(self, p):
2364 if not hasattr(self,
'this'):
2366 if isinstance(p, tuple):
2368 self.__dict__.update(d)
2369 return self._set_from_binary(p)
2371 __swig_destroy__ = _IMP_multifit.delete_FiltersParams
2374 _IMP_multifit.FiltersParams_swigregister(FiltersParams)
2375 class FittingParams(object):
2376 r"""Proxy of C++ IMP::multifit::FittingParams class."""
2378 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2381 r"""__init__(FittingParams self) -> FittingParams"""
2382 _IMP_multifit.FittingParams_swiginit(self, _IMP_multifit.new_FittingParams())
2385 r"""add(FittingParams self, boost::property_tree::ptree const & pt)"""
2386 return _IMP_multifit.FittingParams_add(self, pt)
2388 def show(self, *args):
2389 r"""show(FittingParams self, _ostream s=std::cout)"""
2390 return _IMP_multifit.FittingParams_show(self, *args)
2391 pca_max_angle_diff_ = property(_IMP_multifit.FittingParams_pca_max_angle_diff__get, _IMP_multifit.FittingParams_pca_max_angle_diff__set, doc=
r"""pca_max_angle_diff_ : float""")
2392 pca_max_size_diff_ = property(_IMP_multifit.FittingParams_pca_max_size_diff__get, _IMP_multifit.FittingParams_pca_max_size_diff__set, doc=
r"""pca_max_size_diff_ : float""")
2393 pca_max_cent_dist_diff_ = property(_IMP_multifit.FittingParams_pca_max_cent_dist_diff__get, _IMP_multifit.FittingParams_pca_max_cent_dist_diff__set, doc=
r"""pca_max_cent_dist_diff_ : float""")
2394 max_asmb_fit_score_ = property(_IMP_multifit.FittingParams_max_asmb_fit_score__get, _IMP_multifit.FittingParams_max_asmb_fit_score__set, doc=
r"""max_asmb_fit_score_ : float""")
2397 r"""__str__(FittingParams self) -> std::string"""
2398 return _IMP_multifit.FittingParams___str__(self)
2401 r"""__repr__(FittingParams self) -> std::string"""
2402 return _IMP_multifit.FittingParams___repr__(self)
2404 def _get_as_binary(self):
2405 r"""_get_as_binary(FittingParams self) -> PyObject *"""
2406 return _IMP_multifit.FittingParams__get_as_binary(self)
2408 def _set_from_binary(self, p):
2409 r"""_set_from_binary(FittingParams self, PyObject * p)"""
2410 return _IMP_multifit.FittingParams__set_from_binary(self, p)
2412 def __getstate__(self):
2413 p = self._get_as_binary()
2414 if len(self.__dict__) > 1:
2415 d = self.__dict__.copy()
2420 def __setstate__(self, p):
2421 if not hasattr(self,
'this'):
2423 if isinstance(p, tuple):
2425 self.__dict__.update(d)
2426 return self._set_from_binary(p)
2428 __swig_destroy__ = _IMP_multifit.delete_FittingParams
2431 _IMP_multifit.FittingParams_swigregister(FittingParams)
2432 class ComplementarityParams(object):
2433 r"""Proxy of C++ IMP::multifit::ComplementarityParams class."""
2435 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2438 r"""__init__(ComplementarityParams self) -> ComplementarityParams"""
2439 _IMP_multifit.ComplementarityParams_swiginit(self, _IMP_multifit.new_ComplementarityParams())
2442 r"""add(ComplementarityParams self, boost::property_tree::ptree const & pt)"""
2443 return _IMP_multifit.ComplementarityParams_add(self, pt)
2445 def show(self, *args):
2446 r"""show(ComplementarityParams self, _ostream s=std::cout)"""
2447 return _IMP_multifit.ComplementarityParams_show(self, *args)
2448 max_score_ = property(_IMP_multifit.ComplementarityParams_max_score__get, _IMP_multifit.ComplementarityParams_max_score__set, doc=
r"""max_score_ : float""")
2449 max_penetration_ = property(_IMP_multifit.ComplementarityParams_max_penetration__get, _IMP_multifit.ComplementarityParams_max_penetration__set, doc=
r"""max_penetration_ : float""")
2450 interior_layer_thickness_ = property(_IMP_multifit.ComplementarityParams_interior_layer_thickness__get, _IMP_multifit.ComplementarityParams_interior_layer_thickness__set, doc=
r"""interior_layer_thickness_ : float""")
2451 boundary_coef_ = property(_IMP_multifit.ComplementarityParams_boundary_coef__get, _IMP_multifit.ComplementarityParams_boundary_coef__set, doc=
r"""boundary_coef_ : float""")
2452 comp_coef_ = property(_IMP_multifit.ComplementarityParams_comp_coef__get, _IMP_multifit.ComplementarityParams_comp_coef__set, doc=
r"""comp_coef_ : float""")
2453 penetration_coef_ = property(_IMP_multifit.ComplementarityParams_penetration_coef__get, _IMP_multifit.ComplementarityParams_penetration_coef__set, doc=
r"""penetration_coef_ : float""")
2456 r"""__str__(ComplementarityParams self) -> std::string"""
2457 return _IMP_multifit.ComplementarityParams___str__(self)
2460 r"""__repr__(ComplementarityParams self) -> std::string"""
2461 return _IMP_multifit.ComplementarityParams___repr__(self)
2463 def _get_as_binary(self):
2464 r"""_get_as_binary(ComplementarityParams self) -> PyObject *"""
2465 return _IMP_multifit.ComplementarityParams__get_as_binary(self)
2467 def _set_from_binary(self, p):
2468 r"""_set_from_binary(ComplementarityParams self, PyObject * p)"""
2469 return _IMP_multifit.ComplementarityParams__set_from_binary(self, p)
2471 def __getstate__(self):
2472 p = self._get_as_binary()
2473 if len(self.__dict__) > 1:
2474 d = self.__dict__.copy()
2479 def __setstate__(self, p):
2480 if not hasattr(self,
'this'):
2482 if isinstance(p, tuple):
2484 self.__dict__.update(d)
2485 return self._set_from_binary(p)
2487 __swig_destroy__ = _IMP_multifit.delete_ComplementarityParams
2490 _IMP_multifit.ComplementarityParams_swigregister(ComplementarityParams)
2491 class AlignmentParams(object):
2492 r"""Proxy of C++ IMP::multifit::AlignmentParams class."""
2494 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2496 def __init__(self, *args):
2498 __init__(AlignmentParams self) -> AlignmentParams
2499 __init__(AlignmentParams self, char const * param_filename) -> AlignmentParams
2501 _IMP_multifit.AlignmentParams_swiginit(self, _IMP_multifit.new_AlignmentParams(*args))
2503 def get_domino_params(self):
2504 r"""get_domino_params(AlignmentParams self) -> DominoParams"""
2505 return _IMP_multifit.AlignmentParams_get_domino_params(self)
2507 def get_fitting_params(self):
2508 r"""get_fitting_params(AlignmentParams self) -> FittingParams"""
2509 return _IMP_multifit.AlignmentParams_get_fitting_params(self)
2511 def get_complementarity_params(self):
2512 r"""get_complementarity_params(AlignmentParams self) -> ComplementarityParams"""
2513 return _IMP_multifit.AlignmentParams_get_complementarity_params(self)
2515 def get_xlink_params(self):
2516 r"""get_xlink_params(AlignmentParams self) -> XlinkParams"""
2517 return _IMP_multifit.AlignmentParams_get_xlink_params(self)
2519 def get_connectivity_params(self):
2520 r"""get_connectivity_params(AlignmentParams self) -> ConnectivityParams"""
2521 return _IMP_multifit.AlignmentParams_get_connectivity_params(self)
2523 def get_rog_params(self):
2524 r"""get_rog_params(AlignmentParams self) -> RogParams"""
2525 return _IMP_multifit.AlignmentParams_get_rog_params(self)
2527 def get_fragments_params(self):
2528 r"""get_fragments_params(AlignmentParams self) -> FragmentsParams"""
2529 return _IMP_multifit.AlignmentParams_get_fragments_params(self)
2531 def get_filters_params(self):
2532 r"""get_filters_params(AlignmentParams self) -> FiltersParams"""
2533 return _IMP_multifit.AlignmentParams_get_filters_params(self)
2535 def get_ev_params(self):
2536 r"""get_ev_params(AlignmentParams self) -> EVParams"""
2537 return _IMP_multifit.AlignmentParams_get_ev_params(self)
2539 def show(self, *args):
2540 r"""show(AlignmentParams self, _ostream s=std::cout)"""
2541 return _IMP_multifit.AlignmentParams_show(self, *args)
2544 r"""__str__(AlignmentParams self) -> std::string"""
2545 return _IMP_multifit.AlignmentParams___str__(self)
2548 r"""__repr__(AlignmentParams self) -> std::string"""
2549 return _IMP_multifit.AlignmentParams___repr__(self)
2551 def _get_as_binary(self):
2552 r"""_get_as_binary(AlignmentParams self) -> PyObject *"""
2553 return _IMP_multifit.AlignmentParams__get_as_binary(self)
2555 def _set_from_binary(self, p):
2556 r"""_set_from_binary(AlignmentParams self, PyObject * p)"""
2557 return _IMP_multifit.AlignmentParams__set_from_binary(self, p)
2559 def __getstate__(self):
2560 p = self._get_as_binary()
2561 if len(self.__dict__) > 1:
2562 d = self.__dict__.copy()
2567 def __setstate__(self, p):
2568 if not hasattr(self,
'this'):
2570 if isinstance(p, tuple):
2572 self.__dict__.update(d)
2573 return self._set_from_binary(p)
2575 __swig_destroy__ = _IMP_multifit.delete_AlignmentParams
2578 _IMP_multifit.AlignmentParams_swigregister(AlignmentParams)
2579 class ProteomicsEMAlignmentAtomic(
IMP.Object):
2580 r"""Proxy of C++ IMP::multifit::ProteomicsEMAlignmentAtomic class."""
2582 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2584 def __init__(self, mapping_data, asmb_data, align_param):
2585 r"""__init__(ProteomicsEMAlignmentAtomic self, ProteinsAnchorsSamplingSpace mapping_data, SettingsData asmb_data, AlignmentParams align_param) -> ProteomicsEMAlignmentAtomic"""
2586 _IMP_multifit.ProteomicsEMAlignmentAtomic_swiginit(self, _IMP_multifit.new_ProteomicsEMAlignmentAtomic(mapping_data, asmb_data, align_param))
2589 r"""align(ProteomicsEMAlignmentAtomic self)"""
2590 return _IMP_multifit.ProteomicsEMAlignmentAtomic_align(self)
2592 def add_all_restraints(self):
2593 r"""add_all_restraints(ProteomicsEMAlignmentAtomic self)"""
2594 return _IMP_multifit.ProteomicsEMAlignmentAtomic_add_all_restraints(self)
2596 def get_restraint_set(self):
2597 r"""get_restraint_set(ProteomicsEMAlignmentAtomic self) -> RestraintSet"""
2598 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_restraint_set(self)
2600 def add_states_and_filters(self):
2601 r"""add_states_and_filters(ProteomicsEMAlignmentAtomic self)"""
2602 return _IMP_multifit.ProteomicsEMAlignmentAtomic_add_states_and_filters(self)
2604 def show_domino_merge_tree(self):
2605 r"""show_domino_merge_tree(ProteomicsEMAlignmentAtomic self)"""
2606 return _IMP_multifit.ProteomicsEMAlignmentAtomic_show_domino_merge_tree(self)
2608 def get_combinations(self, uniques=False):
2609 r"""get_combinations(ProteomicsEMAlignmentAtomic self, bool uniques=False) -> IMP::domino::Assignments"""
2610 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_combinations(self, uniques)
2612 def set_density_map(self, dmap, threshold):
2613 r"""set_density_map(ProteomicsEMAlignmentAtomic self, DensityMap dmap, float threshold)"""
2614 return _IMP_multifit.ProteomicsEMAlignmentAtomic_set_density_map(self, dmap, threshold)
2616 def get_molecules(self):
2617 r"""get_molecules(ProteomicsEMAlignmentAtomic self) -> IMP::atom::Hierarchies"""
2618 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_molecules(self)
2620 def get_rigid_bodies(self):
2621 r"""get_rigid_bodies(ProteomicsEMAlignmentAtomic self) -> IMP::core::RigidBodies"""
2622 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_rigid_bodies(self)
2624 def load_combination_of_states(self, state4particles):
2625 r"""load_combination_of_states(ProteomicsEMAlignmentAtomic self, IMP::Ints const & state4particles)"""
2626 return _IMP_multifit.ProteomicsEMAlignmentAtomic_load_combination_of_states(self, state4particles)
2628 def show_scores_header(self, *args):
2629 r"""show_scores_header(ProteomicsEMAlignmentAtomic self, _ostream ous=std::cout)"""
2630 return _IMP_multifit.ProteomicsEMAlignmentAtomic_show_scores_header(self, *args)
2632 def get_model(self):
2633 r"""get_model(ProteomicsEMAlignmentAtomic self) -> Model"""
2634 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_model(self)
2636 def set_fast_scoring(self, state):
2637 r"""set_fast_scoring(ProteomicsEMAlignmentAtomic self, bool state)"""
2638 return _IMP_multifit.ProteomicsEMAlignmentAtomic_set_fast_scoring(self, state)
2640 def get_version_info(self):
2641 r"""get_version_info(ProteomicsEMAlignmentAtomic self) -> VersionInfo"""
2642 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_version_info(self)
2643 __swig_destroy__ = _IMP_multifit.delete_ProteomicsEMAlignmentAtomic
2646 r"""__str__(ProteomicsEMAlignmentAtomic self) -> std::string"""
2647 return _IMP_multifit.ProteomicsEMAlignmentAtomic___str__(self)
2650 r"""__repr__(ProteomicsEMAlignmentAtomic self) -> std::string"""
2651 return _IMP_multifit.ProteomicsEMAlignmentAtomic___repr__(self)
2655 return _object_cast_to_ProteomicsEMAlignmentAtomic(o)
2659 _IMP_multifit.ProteomicsEMAlignmentAtomic_swigregister(ProteomicsEMAlignmentAtomic)
2662 r"""write_connolly_surface(IMP::atom::Atoms atoms, TextOutput fn, float density, float probe_radius)"""
2663 return _IMP_multifit.write_connolly_surface(atoms, fn, density, probe_radius)
2665 r"""Proxy of C++ IMP::multifit::Ensemble class."""
2667 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2669 def load_combination(self, fit_comb):
2670 r"""load_combination(Ensemble self, IMP::Ints fit_comb)"""
2671 return _IMP_multifit.Ensemble_load_combination(self, fit_comb)
2673 def unload_combination(self, fit_comb):
2674 r"""unload_combination(Ensemble self, IMP::Ints fit_comb)"""
2675 return _IMP_multifit.Ensemble_unload_combination(self, fit_comb)
2677 def add_component_and_fits(self, mh, fits):
2678 r"""add_component_and_fits(Ensemble self, Hierarchy mh, IMP::multifit::FittingSolutionRecords const & fits)"""
2679 return _IMP_multifit.Ensemble_add_component_and_fits(self, mh, fits)
2681 def get_molecules(self):
2682 r"""get_molecules(Ensemble self) -> IMP::atom::Hierarchies"""
2683 return _IMP_multifit.Ensemble_get_molecules(self)
2685 def get_rigid_bodies(self):
2686 r"""get_rigid_bodies(Ensemble self) -> IMP::core::RigidBodies"""
2687 return _IMP_multifit.Ensemble_get_rigid_bodies(self)
2690 r"""get_rmsd(Ensemble self, IMP::core::XYZs const & second_xyz) -> float"""
2691 return _IMP_multifit.Ensemble_get_rmsd(self, second_xyz)
2693 def __init__(self, sd, mapping_data):
2694 r"""__init__(Ensemble self, SettingsData sd, ProteinsAnchorsSamplingSpace mapping_data) -> Ensemble"""
2695 _IMP_multifit.Ensemble_swiginit(self, _IMP_multifit.new_Ensemble(sd, mapping_data))
2697 def score_by_restraints(self, rs, combinations):
2698 r"""score_by_restraints(Ensemble self, IMP::Restraints rs, IMP::IntsList const & combinations) -> std::vector< IMP::Floats,std::allocator< IMP::Floats > >"""
2699 return _IMP_multifit.Ensemble_score_by_restraints(self, rs, combinations)
2701 def get_version_info(self):
2702 r"""get_version_info(Ensemble self) -> VersionInfo"""
2703 return _IMP_multifit.Ensemble_get_version_info(self)
2704 __swig_destroy__ = _IMP_multifit.delete_Ensemble
2707 r"""__str__(Ensemble self) -> std::string"""
2708 return _IMP_multifit.Ensemble___str__(self)
2711 r"""__repr__(Ensemble self) -> std::string"""
2712 return _IMP_multifit.Ensemble___repr__(self)
2716 return _object_cast_to_Ensemble(o)
2720 _IMP_multifit.Ensemble_swigregister(Ensemble)
2722 def load_ensemble(sd, mdl, mapping_data):
2723 r"""load_ensemble(SettingsData sd, Model mdl, ProteinsAnchorsSamplingSpace mapping_data) -> Ensemble"""
2724 return _IMP_multifit.load_ensemble(sd, mdl, mapping_data)
2726 r"""Proxy of C++ IMP::multifit::RigidLeavesRefiner class."""
2728 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2730 def __init__(self, *args):
2731 r"""__init__(RigidLeavesRefiner self, std::string name="RigidLeavesRefiner%d") -> RigidLeavesRefiner"""
2732 _IMP_multifit.RigidLeavesRefiner_swiginit(self, _IMP_multifit.new_RigidLeavesRefiner(*args))
2734 def do_get_inputs(self, m, pis):
2735 r"""do_get_inputs(RigidLeavesRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
2736 return _IMP_multifit.RigidLeavesRefiner_do_get_inputs(self, m, pis)
2738 def get_version_info(self):
2739 r"""get_version_info(RigidLeavesRefiner self) -> VersionInfo"""
2740 return _IMP_multifit.RigidLeavesRefiner_get_version_info(self)
2741 __swig_destroy__ = _IMP_multifit.delete_RigidLeavesRefiner
2744 r"""__str__(RigidLeavesRefiner self) -> std::string"""
2745 return _IMP_multifit.RigidLeavesRefiner___str__(self)
2748 r"""__repr__(RigidLeavesRefiner self) -> std::string"""
2749 return _IMP_multifit.RigidLeavesRefiner___repr__(self)
2753 return _object_cast_to_RigidLeavesRefiner(o)
2757 _IMP_multifit.RigidLeavesRefiner_swigregister(RigidLeavesRefiner)
2759 _all_commands = [
"param",
"anchors",
"fit_fft",
"cluster",
"add_fit_rmsd",
2760 "indexes",
"proteomics",
"align",
"models",
"transforms",
2761 "score",
"merge_tree",
"reference",
"refine_fft",
"segment"]
2765 r"""get_module_name() -> std::string const"""
2766 return _IMP_multifit.get_module_name()
2769 r"""get_module_version() -> std::string const"""
2770 return _IMP_multifit.get_module_version()
2773 r"""get_example_path(std::string fname) -> std::string"""
2774 return _IMP_multifit.get_example_path(fname)
2777 r"""get_data_path(std::string fname) -> std::string"""
2778 return _IMP_multifit.get_data_path(fname)
2780 from .
import _version_check
def get_module_version
Return the version of this module, as a string.
IntsList get_anchor_indices_matching_secondary_structure(const AnchorsData &ad, const atom::SecondaryStructureResidues &ssrs, Float max_rmsd=0.7)
Get lists of anchors that match a sequence of secondary structures.
FittingSolutionRecords get_close_to_point(const FittingSolutionRecords &fit_sols, atom::Hierarchy mh, IMP::Particle *ap, Float dist)
prune solutions by distance to an anchor point
IntsList get_connected_components(em::DensityMap *dmap, float threshold, float edge_threshold)
Return connected components based on density values.
Various classes to hold sets of particles.
Make CGAL functionality available to IMP.
em::DensityMap * remove_background(em::DensityMap *dmap, float threshold, float edge_threshold)
Returns a map containing all density without the background.
ProteinsAnchorsSamplingSpace get_part_of_sampling_space(const ProteinsAnchorsSamplingSpace &prots_ss, const Strings &prot_names)
Get the sampling space of few of the proteins.
def get_example_path
Return the full path to one of this module's example files.
multifit::SettingsData * get_partial_assembly_setting_data(multifit::SettingsData *prots_sd, const Strings &prot_names)
Get the assembly data for a few of the proteins.
Composable functors to implement scores via compile-time composition.
em::FittingSolutions pca_based_rigid_fitting(core::RigidBody rb, Refiner *rb_refiner, em::DensityMap *em_map, Float threshold, FloatKey wei_key=atom::Mass::get_mass_key(), algebra::PrincipalComponentAnalysis dens_pca_input=algebra::PrincipalComponentAnalysis())
Compute fitting scores for a given set of rigid transformations.
Code to compute statistical measures.
def get_data_path
Return the full path to one of this module's data files.
void add_surface_index(core::Hierarchy mhd, Float apix, FloatKey shell_key=FloatKey("surf_ind"), FloatKey radius_key=core::XYZR::get_radius_key(), FloatKey weight_key=atom::Mass::get_mass_key())
Add shell index to leaves.
Ints get_index(const ParticlesTemp &particles, const Subset &subset, const Subsets &excluded)
double get_radius_of_gyration(const Vector3Ds &ps)
Return the radius of gyration of a set of points.
Common base class for heavy weight IMP objects.
void get_anchors_for_density(em::DensityMap *dmap, int number_of_means, float density_threshold, std::string pdb_filename, std::string cmm_filename, std::string seg_filename, std::string txt_filename)
Generate anchors in several formats for a given density map.
double get_rmsd(const Vector3DsOrXYZs0 &m1, const Vector3DsOrXYZs1 &m2)
Basic utilities for handling cryo-electron microscopy 3D density maps.
void write_fitting_solutions(const char *fitting_fn, const FittingSolutionRecords &fit_sols, int num_sols=-1)
Write fitting solutions to a file.
ProteomicsData * read_proteomics_data(const char *proteomics_fn)
Proteomics reader.
IMP::Restraint * create_weighted_excluded_volume_restraint(core::RigidBody rb1, core::RigidBody rb2, FloatKey shell_key=FloatKey("surf_ind"))
Create a weighted excluded volume restraint between two rigid bodies.
algebra::Vector3Ds get_points_close_to_molecule(const atom::Hierarchy &mh, const algebra::Vector3Ds points, Float max_dist)
void get_segmentation(em::DensityMap *dmap, double apix, double density_threshold, int num_means, const std::string pdb_filename, const std::string cmm_filename, const std::string seg_filename, const std::string txt_filename)
Segment a density map using the anchor graph.
void write_connolly_surface(atom::Atoms atoms, TextOutput fn, float density, float probe_radius)
Write the Connolly surface for a set of atoms to a file.
std::ostream & show(Hierarchy h, std::ostream &out=std::cout)
Print the hierarchy using a given decorator to display each node.
multifit::FittingSolutionRecords fft_based_rigid_fitting(atom::Hierarchy mol2fit, em::DensityMap *dmap, double density_threshold, double angle_sampling_interval_rad)
FFT fit of a molecule in the density.
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...
def get_module_name
Return the fully-qualified name of this module.
IntsList read_paths(const char *txt_filename, int max_paths=INT_MAX)
Read paths.
FittingSolutionRecords read_fitting_solutions(const char *fitting_fn)
Fitting solutions reader.
Abstract class to implement hierarchical methods.
double get_resolution(Model *m, ParticleIndex pi)
Estimate the resolution of the hierarchy as used by Representation.
Output IMP model data in various file formats.
Functionality for loading, creating, manipulating and scoring atomic structures.
Support for the RMF file format for storing hierarchical molecular data and markup.
Divide-and-conquer inferential optimization in discrete space.
Support for small angle X-ray scattering (SAXS) data.
Inferential scoring building on methods developed as part of the Inferential Structure Determination ...
A restraint is a term in an IMP ScoringFunction.
atom::Hierarchy create_coarse_molecule_from_density(em::DensityMap *dmap, float dens_threshold, int num_beads, Model *mdl, float bead_radius)
Coarsen a density map based on voxels clustering.