14 from sys
import version_info
as _swig_python_version_info
18 import builtins
as __builtin__
24 strthis =
"proxy of " + self.this.__repr__()
25 except __builtin__.Exception:
27 return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
30 def _swig_setattr_nondynamic_instance_variable(set):
31 def set_instance_attr(self, name, value):
33 set(self, name, value)
34 elif name ==
"thisown":
36 elif hasattr(self, name)
and isinstance(getattr(type(self), name), property):
37 set(self, name, value)
39 raise AttributeError(
"You cannot add instance attributes to %s" % self)
40 return set_instance_attr
43 def _swig_setattr_nondynamic_class_variable(set):
44 def set_class_attr(cls, name, value):
45 if hasattr(cls, name)
and not isinstance(getattr(cls, name), property):
48 raise AttributeError(
"You cannot add class attributes to %s" % cls)
52 def _swig_add_metaclass(metaclass):
53 """Class decorator for adding a metaclass to a SWIG wrapped class - a slimmed down version of six.add_metaclass"""
55 return metaclass(cls.__name__, cls.__bases__, cls.__dict__.copy())
59 class _SwigNonDynamicMeta(type):
60 """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
61 __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
66 class IMP_MULTIFIT_SwigPyIterator(object):
67 r"""Proxy of C++ swig::IMP_MULTIFIT_SwigPyIterator class."""
69 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
71 def __init__(self, *args, **kwargs):
72 raise AttributeError(
"No constructor defined - class is abstract")
74 __swig_destroy__ = _IMP_multifit.delete_IMP_MULTIFIT_SwigPyIterator
77 r"""value(IMP_MULTIFIT_SwigPyIterator self) -> PyObject *"""
78 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_value(self)
81 r"""incr(IMP_MULTIFIT_SwigPyIterator self, size_t n=1) -> IMP_MULTIFIT_SwigPyIterator"""
82 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_incr(self, n)
85 r"""decr(IMP_MULTIFIT_SwigPyIterator self, size_t n=1) -> IMP_MULTIFIT_SwigPyIterator"""
86 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_decr(self, n)
88 def distance(self, x):
89 r"""distance(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> ptrdiff_t"""
90 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_distance(self, x)
93 r"""equal(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> bool"""
94 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_equal(self, x)
97 r"""copy(IMP_MULTIFIT_SwigPyIterator self) -> IMP_MULTIFIT_SwigPyIterator"""
98 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_copy(self)
101 r"""next(IMP_MULTIFIT_SwigPyIterator self) -> PyObject *"""
102 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_next(self)
105 r"""__next__(IMP_MULTIFIT_SwigPyIterator self) -> PyObject *"""
106 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___next__(self)
109 r"""previous(IMP_MULTIFIT_SwigPyIterator self) -> PyObject *"""
110 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_previous(self)
112 def advance(self, n):
113 r"""advance(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
114 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_advance(self, n)
117 r"""__eq__(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> bool"""
118 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___eq__(self, x)
121 r"""__ne__(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> bool"""
122 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___ne__(self, x)
124 def __iadd__(self, n):
125 r"""__iadd__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
126 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___iadd__(self, n)
128 def __isub__(self, n):
129 r"""__isub__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
130 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___isub__(self, n)
132 def __add__(self, n):
133 r"""__add__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
134 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___add__(self, n)
136 def __sub__(self, *args):
138 __sub__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator
139 __sub__(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> ptrdiff_t
141 return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___sub__(self, *args)
146 _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_swigregister(IMP_MULTIFIT_SwigPyIterator)
153 IMP_DEBUG = _IMP_multifit.IMP_DEBUG
155 IMP_RELEASE = _IMP_multifit.IMP_RELEASE
157 IMP_SILENT = _IMP_multifit.IMP_SILENT
159 IMP_PROGRESS = _IMP_multifit.IMP_PROGRESS
161 IMP_TERSE = _IMP_multifit.IMP_TERSE
163 IMP_VERBOSE = _IMP_multifit.IMP_VERBOSE
165 IMP_MEMORY = _IMP_multifit.IMP_MEMORY
167 IMP_NONE = _IMP_multifit.IMP_NONE
169 IMP_USAGE = _IMP_multifit.IMP_USAGE
171 IMP_INTERNAL = _IMP_multifit.IMP_INTERNAL
173 IMP_KERNEL_HAS_LOG4CXX = _IMP_multifit.IMP_KERNEL_HAS_LOG4CXX
175 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_multifit.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
177 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_multifit.IMP_COMPILER_HAS_DEBUG_VECTOR
179 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_multifit.IMP_COMPILER_HAS_RANDOM_SHUFFLE
181 IMP_COMPILER_HAS_THREE_WAY = _IMP_multifit.IMP_COMPILER_HAS_THREE_WAY
183 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_multifit.IMP_KERNEL_HAS_BOOST_RANDOM
185 IMP_KERNEL_HAS_NUMPY = _IMP_multifit.IMP_KERNEL_HAS_NUMPY
187 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_KERNEL_HAS_BOOST_SYSTEM
189 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_multifit.IMP_KERNEL_HAS_GPERFTOOLS
191 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_multifit.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
193 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_multifit.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
195 IMPKERNEL_SHOW_WARNINGS = _IMP_multifit.IMPKERNEL_SHOW_WARNINGS
199 class _DirectorObjects:
200 """@internal Simple class to keep references to director objects
201 to prevent premature deletion."""
204 def register(self, obj):
205 """Take a reference to a director object; will only work for
206 refcounted C++ classes"""
207 if hasattr(obj,
'get_ref_count'):
208 self._objects.append(obj)
210 """Only drop our reference and allow cleanup by Python if no other
211 Python references exist (we hold 3 references: one in self._objects,
212 one in x, and one in the argument list for getrefcount) *and* no
213 other C++ references exist (the Python object always holds one)"""
214 objs = [x
for x
in self._objects
if sys.getrefcount(x) > 3 \
215 or x.get_ref_count() > 1]
219 def get_object_count(self):
220 """Get number of director objects (useful for testing only)"""
221 return len(self._objects)
222 _director_objects = _DirectorObjects()
224 class _ostream(object):
225 r"""Proxy of C++ std::ostream class."""
227 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
229 def __init__(self, *args, **kwargs):
230 raise AttributeError(
"No constructor defined")
231 __repr__ = _swig_repr
233 def write(self, osa_buf):
234 r"""write(_ostream self, char const * osa_buf)"""
235 return _IMP_multifit._ostream_write(self, osa_buf)
238 _IMP_multifit._ostream_swigregister(_ostream)
239 IMP_C_OPEN_BINARY = _IMP_multifit.IMP_C_OPEN_BINARY
242 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_CGAL_HAS_BOOST_FILESYSTEM
244 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
246 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_multifit.IMP_CGAL_HAS_BOOST_RANDOM
248 IMP_CGAL_HAS_NUMPY = _IMP_multifit.IMP_CGAL_HAS_NUMPY
250 IMPCGAL_SHOW_WARNINGS = _IMP_multifit.IMPCGAL_SHOW_WARNINGS
253 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_multifit.IMP_ALGEBRA_HAS_IMP_CGAL
255 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
257 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
259 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_RANDOM
261 IMP_ALGEBRA_HAS_CGAL = _IMP_multifit.IMP_ALGEBRA_HAS_CGAL
263 IMP_ALGEBRA_HAS_NUMPY = _IMP_multifit.IMP_ALGEBRA_HAS_NUMPY
265 IMP_ALGEBRA_HAS_ANN = _IMP_multifit.IMP_ALGEBRA_HAS_ANN
267 IMPALGEBRA_SHOW_WARNINGS = _IMP_multifit.IMPALGEBRA_SHOW_WARNINGS
270 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_multifit.IMP_DISPLAY_HAS_IMP_CGAL
272 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
274 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
276 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_multifit.IMP_DISPLAY_HAS_BOOST_RANDOM
278 IMP_DISPLAY_HAS_CGAL = _IMP_multifit.IMP_DISPLAY_HAS_CGAL
280 IMP_DISPLAY_HAS_NUMPY = _IMP_multifit.IMP_DISPLAY_HAS_NUMPY
282 IMPDISPLAY_SHOW_WARNINGS = _IMP_multifit.IMPDISPLAY_SHOW_WARNINGS
285 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
287 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
289 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
291 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
293 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_CGAL
295 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_HDF5
297 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_NUMPY
299 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_multifit.IMPSCOREFUNCTOR_SHOW_WARNINGS
302 IMP_STATISTICS_HAS_IMP_CGAL = _IMP_multifit.IMP_STATISTICS_HAS_IMP_CGAL
304 IMP_STATISTICS_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_STATISTICS_HAS_BOOST_FILESYSTEM
306 IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS
308 IMP_STATISTICS_HAS_BOOST_RANDOM = _IMP_multifit.IMP_STATISTICS_HAS_BOOST_RANDOM
310 IMP_STATISTICS_HAS_CGAL = _IMP_multifit.IMP_STATISTICS_HAS_CGAL
312 IMP_STATISTICS_HAS_NUMPY = _IMP_multifit.IMP_STATISTICS_HAS_NUMPY
314 IMPSTATISTICS_SHOW_WARNINGS = _IMP_multifit.IMPSTATISTICS_SHOW_WARNINGS
317 IMP_CORE_HAS_IMP_CGAL = _IMP_multifit.IMP_CORE_HAS_IMP_CGAL
319 IMP_CORE_HAS_IMP_KERNEL = _IMP_multifit.IMP_CORE_HAS_IMP_KERNEL
321 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_CORE_HAS_BOOST_FILESYSTEM
323 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
325 IMP_CORE_HAS_BOOST_RANDOM = _IMP_multifit.IMP_CORE_HAS_BOOST_RANDOM
327 IMP_CORE_HAS_CGAL = _IMP_multifit.IMP_CORE_HAS_CGAL
329 IMP_CORE_HAS_HDF5 = _IMP_multifit.IMP_CORE_HAS_HDF5
331 IMP_CORE_HAS_NUMPY = _IMP_multifit.IMP_CORE_HAS_NUMPY
333 IMPCORE_SHOW_WARNINGS = _IMP_multifit.IMPCORE_SHOW_WARNINGS
336 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_multifit.IMP_CONTAINER_HAS_IMP_ALGEBRA
338 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_multifit.IMP_CONTAINER_HAS_IMP_CGAL
340 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_multifit.IMP_CONTAINER_HAS_IMP_DISPLAY
342 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_multifit.IMP_CONTAINER_HAS_IMP_KERNEL
344 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
346 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
348 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
350 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_multifit.IMP_CONTAINER_HAS_BOOST_RANDOM
352 IMP_CONTAINER_HAS_CGAL = _IMP_multifit.IMP_CONTAINER_HAS_CGAL
354 IMP_CONTAINER_HAS_HDF5 = _IMP_multifit.IMP_CONTAINER_HAS_HDF5
356 IMP_CONTAINER_HAS_NUMPY = _IMP_multifit.IMP_CONTAINER_HAS_NUMPY
358 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_multifit.IMP_CONTAINER_HAS_PYTHON_IHM
360 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_multifit.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
362 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_multifit.IMP_CONTAINER_HAS_ROBIN_MAP
364 IMPCONTAINER_SHOW_WARNINGS = _IMP_multifit.IMPCONTAINER_SHOW_WARNINGS
367 IMP_ATOM_HAS_IMP_CGAL = _IMP_multifit.IMP_ATOM_HAS_IMP_CGAL
369 IMP_ATOM_HAS_IMP_KERNEL = _IMP_multifit.IMP_ATOM_HAS_IMP_KERNEL
371 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
373 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
375 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_multifit.IMP_ATOM_HAS_BOOST_RANDOM
377 IMP_ATOM_HAS_BOOST_REGEX = _IMP_multifit.IMP_ATOM_HAS_BOOST_REGEX
379 IMP_ATOM_HAS_CGAL = _IMP_multifit.IMP_ATOM_HAS_CGAL
381 IMP_ATOM_HAS_HDF5 = _IMP_multifit.IMP_ATOM_HAS_HDF5
383 IMP_ATOM_HAS_NUMPY = _IMP_multifit.IMP_ATOM_HAS_NUMPY
385 IMP_ATOM_HAS_PYTHON_IHM = _IMP_multifit.IMP_ATOM_HAS_PYTHON_IHM
387 IMPATOM_SHOW_WARNINGS = _IMP_multifit.IMPATOM_SHOW_WARNINGS
389 IMP_ATOM_TYPE_INDEX = _IMP_multifit.IMP_ATOM_TYPE_INDEX
391 IMP_RESIDUE_TYPE_INDEX = _IMP_multifit.IMP_RESIDUE_TYPE_INDEX
393 IMP_HIERARCHY_TYPE_INDEX = _IMP_multifit.IMP_HIERARCHY_TYPE_INDEX
395 IMP_CHAIN_TYPE_INDEX = _IMP_multifit.IMP_CHAIN_TYPE_INDEX
398 IMP_EM_HAS_IMP_CGAL = _IMP_multifit.IMP_EM_HAS_IMP_CGAL
400 IMP_EM_HAS_IMP_CONTAINER = _IMP_multifit.IMP_EM_HAS_IMP_CONTAINER
402 IMP_EM_HAS_IMP_DISPLAY = _IMP_multifit.IMP_EM_HAS_IMP_DISPLAY
404 IMP_EM_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_EM_HAS_IMP_SCORE_FUNCTOR
406 IMP_EM_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_EM_HAS_BOOST_FILESYSTEM
408 IMP_EM_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_EM_HAS_BOOST_PROGRAMOPTIONS
410 IMP_EM_HAS_BOOST_RANDOM = _IMP_multifit.IMP_EM_HAS_BOOST_RANDOM
412 IMP_EM_HAS_BOOST_REGEX = _IMP_multifit.IMP_EM_HAS_BOOST_REGEX
414 IMP_EM_HAS_CGAL = _IMP_multifit.IMP_EM_HAS_CGAL
416 IMP_EM_HAS_HDF5 = _IMP_multifit.IMP_EM_HAS_HDF5
418 IMP_EM_HAS_NUMPY = _IMP_multifit.IMP_EM_HAS_NUMPY
420 IMP_EM_HAS_PYTHON_IHM = _IMP_multifit.IMP_EM_HAS_PYTHON_IHM
422 IMPEM_SHOW_WARNINGS = _IMP_multifit.IMPEM_SHOW_WARNINGS
425 IMP_SAXS_HAS_IMP_CGAL = _IMP_multifit.IMP_SAXS_HAS_IMP_CGAL
427 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_multifit.IMP_SAXS_HAS_IMP_CONTAINER
429 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_multifit.IMP_SAXS_HAS_IMP_DISPLAY
431 IMP_SAXS_HAS_IMP_KERNEL = _IMP_multifit.IMP_SAXS_HAS_IMP_KERNEL
433 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
435 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_SAXS_HAS_BOOST_FILESYSTEM
437 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
439 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_multifit.IMP_SAXS_HAS_BOOST_RANDOM
441 IMP_SAXS_HAS_BOOST_REGEX = _IMP_multifit.IMP_SAXS_HAS_BOOST_REGEX
443 IMP_SAXS_HAS_CGAL = _IMP_multifit.IMP_SAXS_HAS_CGAL
445 IMP_SAXS_HAS_HDF5 = _IMP_multifit.IMP_SAXS_HAS_HDF5
447 IMP_SAXS_HAS_NUMPY = _IMP_multifit.IMP_SAXS_HAS_NUMPY
449 IMP_SAXS_HAS_PYTHON_IHM = _IMP_multifit.IMP_SAXS_HAS_PYTHON_IHM
451 IMPSAXS_SHOW_WARNINGS = _IMP_multifit.IMPSAXS_SHOW_WARNINGS
454 IMP_ISD_HAS_IMP_CGAL = _IMP_multifit.IMP_ISD_HAS_IMP_CGAL
456 IMP_ISD_HAS_IMP_DISPLAY = _IMP_multifit.IMP_ISD_HAS_IMP_DISPLAY
458 IMP_ISD_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_ISD_HAS_IMP_SCORE_FUNCTOR
460 IMP_ISD_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_ISD_HAS_BOOST_FILESYSTEM
462 IMP_ISD_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_ISD_HAS_BOOST_PROGRAMOPTIONS
464 IMP_ISD_HAS_BOOST_RANDOM = _IMP_multifit.IMP_ISD_HAS_BOOST_RANDOM
466 IMP_ISD_HAS_BOOST_REGEX = _IMP_multifit.IMP_ISD_HAS_BOOST_REGEX
468 IMP_ISD_HAS_CGAL = _IMP_multifit.IMP_ISD_HAS_CGAL
470 IMP_ISD_HAS_HDF5 = _IMP_multifit.IMP_ISD_HAS_HDF5
472 IMP_ISD_HAS_NUMPY = _IMP_multifit.IMP_ISD_HAS_NUMPY
474 IMP_ISD_HAS_PYTHON_IHM = _IMP_multifit.IMP_ISD_HAS_PYTHON_IHM
476 IMPISD_SHOW_WARNINGS = _IMP_multifit.IMPISD_SHOW_WARNINGS
479 IMP_RMF_HAS_IMP_CGAL = _IMP_multifit.IMP_RMF_HAS_IMP_CGAL
481 IMP_RMF_HAS_IMP_EM = _IMP_multifit.IMP_RMF_HAS_IMP_EM
483 IMP_RMF_HAS_IMP_SAXS = _IMP_multifit.IMP_RMF_HAS_IMP_SAXS
485 IMP_RMF_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_RMF_HAS_IMP_SCORE_FUNCTOR
487 IMP_RMF_HAS_IMP_STATISTICS = _IMP_multifit.IMP_RMF_HAS_IMP_STATISTICS
489 IMP_RMF_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_RMF_HAS_BOOST_FILESYSTEM
491 IMP_RMF_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_RMF_HAS_BOOST_PROGRAMOPTIONS
493 IMP_RMF_HAS_BOOST_RANDOM = _IMP_multifit.IMP_RMF_HAS_BOOST_RANDOM
495 IMP_RMF_HAS_BOOST_REGEX = _IMP_multifit.IMP_RMF_HAS_BOOST_REGEX
497 IMP_RMF_HAS_CGAL = _IMP_multifit.IMP_RMF_HAS_CGAL
499 IMP_RMF_HAS_HDF5 = _IMP_multifit.IMP_RMF_HAS_HDF5
501 IMP_RMF_HAS_NUMPY = _IMP_multifit.IMP_RMF_HAS_NUMPY
503 IMP_RMF_HAS_PYTHON_IHM = _IMP_multifit.IMP_RMF_HAS_PYTHON_IHM
505 IMPRMF_SHOW_WARNINGS = _IMP_multifit.IMPRMF_SHOW_WARNINGS
509 IMP_DOMINO_HAS_IMP_ATOM = _IMP_multifit.IMP_DOMINO_HAS_IMP_ATOM
511 IMP_DOMINO_HAS_IMP_CGAL = _IMP_multifit.IMP_DOMINO_HAS_IMP_CGAL
513 IMP_DOMINO_HAS_IMP_EM = _IMP_multifit.IMP_DOMINO_HAS_IMP_EM
515 IMP_DOMINO_HAS_IMP_ISD = _IMP_multifit.IMP_DOMINO_HAS_IMP_ISD
517 IMP_DOMINO_HAS_IMP_KERNEL = _IMP_multifit.IMP_DOMINO_HAS_IMP_KERNEL
519 IMP_DOMINO_HAS_IMP_RMF = _IMP_multifit.IMP_DOMINO_HAS_IMP_RMF
521 IMP_DOMINO_HAS_IMP_SAXS = _IMP_multifit.IMP_DOMINO_HAS_IMP_SAXS
523 IMP_DOMINO_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_DOMINO_HAS_IMP_SCORE_FUNCTOR
525 IMP_DOMINO_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_DOMINO_HAS_BOOST_FILESYSTEM
527 IMP_DOMINO_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_DOMINO_HAS_BOOST_PROGRAMOPTIONS
529 IMP_DOMINO_HAS_BOOST_RANDOM = _IMP_multifit.IMP_DOMINO_HAS_BOOST_RANDOM
531 IMP_DOMINO_HAS_BOOST_REGEX = _IMP_multifit.IMP_DOMINO_HAS_BOOST_REGEX
533 IMP_DOMINO_HAS_CGAL = _IMP_multifit.IMP_DOMINO_HAS_CGAL
535 IMP_DOMINO_HAS_HDF5 = _IMP_multifit.IMP_DOMINO_HAS_HDF5
537 IMP_DOMINO_HAS_NUMPY = _IMP_multifit.IMP_DOMINO_HAS_NUMPY
539 IMP_DOMINO_HAS_RMF = _IMP_multifit.IMP_DOMINO_HAS_RMF
541 IMP_DOMINO_HAS_PYTHON_IHM = _IMP_multifit.IMP_DOMINO_HAS_PYTHON_IHM
543 IMPDOMINO_SHOW_WARNINGS = _IMP_multifit.IMPDOMINO_SHOW_WARNINGS
547 IMP_MULTIFIT_HAS_IMP_CGAL = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_CGAL
549 IMP_MULTIFIT_HAS_IMP_CONTAINER = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_CONTAINER
551 IMP_MULTIFIT_HAS_IMP_DISPLAY = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_DISPLAY
553 IMP_MULTIFIT_HAS_IMP_ISD = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_ISD
555 IMP_MULTIFIT_HAS_IMP_KERNEL = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_KERNEL
557 IMP_MULTIFIT_HAS_IMP_RMF = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_RMF
559 IMP_MULTIFIT_HAS_IMP_SAXS = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_SAXS
561 IMP_MULTIFIT_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_SCORE_FUNCTOR
563 IMP_MULTIFIT_HAS_BOOST_GRAPH = _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_GRAPH
565 IMP_MULTIFIT_HAS_BOOST_RANDOM = _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_RANDOM
567 IMP_MULTIFIT_HAS_BOOST_REGEX = _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_REGEX
569 IMP_MULTIFIT_HAS_CGAL = _IMP_multifit.IMP_MULTIFIT_HAS_CGAL
571 IMP_MULTIFIT_HAS_HDF5 = _IMP_multifit.IMP_MULTIFIT_HAS_HDF5
573 IMP_MULTIFIT_HAS_NUMPY = _IMP_multifit.IMP_MULTIFIT_HAS_NUMPY
575 IMP_MULTIFIT_HAS_RMF = _IMP_multifit.IMP_MULTIFIT_HAS_RMF
577 IMP_MULTIFIT_HAS_PYTHON_IHM = _IMP_multifit.IMP_MULTIFIT_HAS_PYTHON_IHM
579 IMPMULTIFIT_SHOW_WARNINGS = _IMP_multifit.IMPMULTIFIT_SHOW_WARNINGS
582 _object_types.append(
"RadiusOfGyrationRestraint")
585 def _object_cast_to_RadiusOfGyrationRestraint(o):
586 r"""_object_cast_to_RadiusOfGyrationRestraint(Object o) -> RadiusOfGyrationRestraint"""
587 return _IMP_multifit._object_cast_to_RadiusOfGyrationRestraint(o)
589 _object_types.append(
"ComponentHeader")
592 def _object_cast_to_ComponentHeader(o):
593 r"""_object_cast_to_ComponentHeader(Object o) -> ComponentHeader"""
594 return _IMP_multifit._object_cast_to_ComponentHeader(o)
596 _object_types.append(
"AssemblyHeader")
599 def _object_cast_to_AssemblyHeader(o):
600 r"""_object_cast_to_AssemblyHeader(Object o) -> AssemblyHeader"""
601 return _IMP_multifit._object_cast_to_AssemblyHeader(o)
603 _object_types.append(
"SettingsData")
606 def _object_cast_to_SettingsData(o):
607 r"""_object_cast_to_SettingsData(Object o) -> SettingsData"""
608 return _IMP_multifit._object_cast_to_SettingsData(o)
610 _object_types.append(
"WeightedExcludedVolumeRestraint")
613 def _object_cast_to_WeightedExcludedVolumeRestraint(o):
614 r"""_object_cast_to_WeightedExcludedVolumeRestraint(Object o) -> WeightedExcludedVolumeRestraint"""
615 return _IMP_multifit._object_cast_to_WeightedExcludedVolumeRestraint(o)
617 _object_types.append(
"ComplementarityRestraint")
620 def _object_cast_to_ComplementarityRestraint(o):
621 r"""_object_cast_to_ComplementarityRestraint(Object o) -> ComplementarityRestraint"""
622 return _IMP_multifit._object_cast_to_ComplementarityRestraint(o)
624 ProteinRecordDataList=list
625 _plural_types.append(
"ProteinRecordDataList")
626 _value_types.append(
"ProteinRecordData")
629 FittingSolutionRecords=list
630 _plural_types.append(
"FittingSolutionRecords")
631 _value_types.append(
"FittingSolutionRecord")
635 _plural_types.append(
"AnchorsDataList")
636 _value_types.append(
"AnchorsData")
639 DominoParamsList=list
640 _plural_types.append(
"DominoParamsList")
641 _value_types.append(
"DominoParams")
644 ComplementarityParamsList=list
645 _plural_types.append(
"ComplementarityParamsList")
646 _value_types.append(
"ComplementarityParams")
650 _plural_types.append(
"XlinkParamsList")
651 _value_types.append(
"XlinkParams")
654 ConnectivityParamsList=list
655 _plural_types.append(
"ConnectivityParamsList")
656 _value_types.append(
"ConnectivityParams")
659 FragmentsParamsList=list
660 _plural_types.append(
"FragmentsParamsList")
661 _value_types.append(
"FragmentsParams")
665 _plural_types.append(
"RogParamsList")
666 _value_types.append(
"RogParams")
670 _plural_types.append(
"EVParamsList")
671 _value_types.append(
"EVParams")
674 FiltersParamsList=list
675 _plural_types.append(
"FiltersParamsList")
676 _value_types.append(
"FiltersParams")
679 AlignmentParamsList=list
680 _plural_types.append(
"AlignmentParamsList")
681 _value_types.append(
"AlignmentParams")
684 FittingParamsList=list
685 _plural_types.append(
"FittingParamsList")
686 _value_types.append(
"FittingParams")
689 ProteinsAnchorsSamplingSpaces=list
690 _plural_types.append(
"ProteinsAnchorsSamplingSpaces")
691 _value_types.append(
"ProteinsAnchorsSamplingSpace")
694 _object_types.append(
"ProteomicsData")
697 def _object_cast_to_ProteomicsData(o):
698 r"""_object_cast_to_ProteomicsData(Object o) -> ProteomicsData"""
699 return _IMP_multifit._object_cast_to_ProteomicsData(o)
701 _object_types.append(
"FFTFitting")
704 def _object_cast_to_FFTFitting(o):
705 r"""_object_cast_to_FFTFitting(Object o) -> FFTFitting"""
706 return _IMP_multifit._object_cast_to_FFTFitting(o)
708 _object_types.append(
"FFTFittingOutput")
711 def _object_cast_to_FFTFittingOutput(o):
712 r"""_object_cast_to_FFTFittingOutput(Object o) -> FFTFittingOutput"""
713 return _IMP_multifit._object_cast_to_FFTFittingOutput(o)
715 _object_types.append(
"ProbabilisticAnchorGraph")
718 def _object_cast_to_ProbabilisticAnchorGraph(o):
719 r"""_object_cast_to_ProbabilisticAnchorGraph(Object o) -> ProbabilisticAnchorGraph"""
720 return _IMP_multifit._object_cast_to_ProbabilisticAnchorGraph(o)
722 _object_types.append(
"Ensemble")
725 def _object_cast_to_Ensemble(o):
726 r"""_object_cast_to_Ensemble(Object o) -> Ensemble"""
727 return _IMP_multifit._object_cast_to_Ensemble(o)
729 _object_types.append(
"ProteomicsEMAlignmentAtomic")
732 def _object_cast_to_ProteomicsEMAlignmentAtomic(o):
733 r"""_object_cast_to_ProteomicsEMAlignmentAtomic(Object o) -> ProteomicsEMAlignmentAtomic"""
734 return _IMP_multifit._object_cast_to_ProteomicsEMAlignmentAtomic(o)
736 _object_types.append(
"RigidLeavesRefiner")
739 def _object_cast_to_RigidLeavesRefiner(o):
740 r"""_object_cast_to_RigidLeavesRefiner(Object o) -> RigidLeavesRefiner"""
741 return _IMP_multifit._object_cast_to_RigidLeavesRefiner(o)
744 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())"""
745 return _IMP_multifit.add_surface_index(*args)
748 r"""create_weighted_excluded_volume_restraint(RigidBody rb1, RigidBody rb2, FloatKey shell_key=IMP::FloatKey("surf_ind")) -> Restraint"""
749 return _IMP_multifit.create_weighted_excluded_volume_restraint(*args)
750 class FittingSolutionRecord(object):
751 r"""Proxy of C++ IMP::multifit::FittingSolutionRecord class."""
753 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
756 r"""__init__(FittingSolutionRecord self) -> FittingSolutionRecord"""
757 _IMP_multifit.FittingSolutionRecord_swiginit(self, _IMP_multifit.new_FittingSolutionRecord())
760 r"""get_index(FittingSolutionRecord self) -> unsigned int"""
761 return _IMP_multifit.FittingSolutionRecord_get_index(self)
763 def set_index(self, new_ind):
764 r"""set_index(FittingSolutionRecord self, unsigned int new_ind)"""
765 return _IMP_multifit.FittingSolutionRecord_set_index(self, new_ind)
767 def get_solution_filename(self):
768 r"""get_solution_filename(FittingSolutionRecord self) -> std::string"""
769 return _IMP_multifit.FittingSolutionRecord_get_solution_filename(self)
771 def set_solution_filename(self, sol_fn):
772 r"""set_solution_filename(FittingSolutionRecord self, std::string sol_fn)"""
773 return _IMP_multifit.FittingSolutionRecord_set_solution_filename(self, sol_fn)
775 def get_fit_transformation(self):
776 r"""get_fit_transformation(FittingSolutionRecord self) -> Transformation3D"""
777 return _IMP_multifit.FittingSolutionRecord_get_fit_transformation(self)
779 def set_fit_transformation(self, t):
780 r"""set_fit_transformation(FittingSolutionRecord self, Transformation3D t)"""
781 return _IMP_multifit.FittingSolutionRecord_set_fit_transformation(self, t)
783 def get_match_size(self):
784 r"""get_match_size(FittingSolutionRecord self) -> unsigned int"""
785 return _IMP_multifit.FittingSolutionRecord_get_match_size(self)
787 def set_match_size(self, match_size):
788 r"""set_match_size(FittingSolutionRecord self, unsigned int match_size)"""
789 return _IMP_multifit.FittingSolutionRecord_set_match_size(self, match_size)
791 def get_match_average_distance(self):
792 r"""get_match_average_distance(FittingSolutionRecord self) -> IMP::Float"""
793 return _IMP_multifit.FittingSolutionRecord_get_match_average_distance(self)
795 def set_match_average_distance(self, match_avg_dist):
796 r"""set_match_average_distance(FittingSolutionRecord self, IMP::Float match_avg_dist)"""
797 return _IMP_multifit.FittingSolutionRecord_set_match_average_distance(self, match_avg_dist)
799 def get_fitting_score(self):
800 r"""get_fitting_score(FittingSolutionRecord self) -> IMP::Float"""
801 return _IMP_multifit.FittingSolutionRecord_get_fitting_score(self)
803 def set_fitting_score(self, fit_score):
804 r"""set_fitting_score(FittingSolutionRecord self, IMP::Float fit_score)"""
805 return _IMP_multifit.FittingSolutionRecord_set_fitting_score(self, fit_score)
807 def get_rmsd_to_reference(self):
808 r"""get_rmsd_to_reference(FittingSolutionRecord self) -> IMP::Float"""
809 return _IMP_multifit.FittingSolutionRecord_get_rmsd_to_reference(self)
811 def set_rmsd_to_reference(self, rmsd_to_ref):
812 r"""set_rmsd_to_reference(FittingSolutionRecord self, IMP::Float rmsd_to_ref)"""
813 return _IMP_multifit.FittingSolutionRecord_set_rmsd_to_reference(self, rmsd_to_ref)
815 def get_dock_transformation(self):
816 r"""get_dock_transformation(FittingSolutionRecord self) -> Transformation3D"""
817 return _IMP_multifit.FittingSolutionRecord_get_dock_transformation(self)
819 def set_dock_transformation(self, t):
820 r"""set_dock_transformation(FittingSolutionRecord self, Transformation3D t)"""
821 return _IMP_multifit.FittingSolutionRecord_set_dock_transformation(self, t)
823 def get_envelope_penetration_score(self):
824 r"""get_envelope_penetration_score(FittingSolutionRecord self) -> IMP::Float"""
825 return _IMP_multifit.FittingSolutionRecord_get_envelope_penetration_score(self)
827 def set_envelope_penetration_score(self, s):
828 r"""set_envelope_penetration_score(FittingSolutionRecord self, IMP::Float s)"""
829 return _IMP_multifit.FittingSolutionRecord_set_envelope_penetration_score(self, s)
831 def show(self, *args):
832 r"""show(FittingSolutionRecord self, _ostream out=std::cout)"""
833 return _IMP_multifit.FittingSolutionRecord_show(self, *args)
836 def get_record_header():
837 r"""get_record_header() -> std::string"""
838 return _IMP_multifit.FittingSolutionRecord_get_record_header()
841 r"""__str__(FittingSolutionRecord self) -> std::string"""
842 return _IMP_multifit.FittingSolutionRecord___str__(self)
845 r"""__repr__(FittingSolutionRecord self) -> std::string"""
846 return _IMP_multifit.FittingSolutionRecord___repr__(self)
848 def _get_as_binary(self):
849 r"""_get_as_binary(FittingSolutionRecord self) -> PyObject *"""
850 return _IMP_multifit.FittingSolutionRecord__get_as_binary(self)
852 def _set_from_binary(self, p):
853 r"""_set_from_binary(FittingSolutionRecord self, PyObject * p)"""
854 return _IMP_multifit.FittingSolutionRecord__set_from_binary(self, p)
856 def __getstate__(self):
857 p = self._get_as_binary()
858 if len(self.__dict__) > 1:
859 d = self.__dict__.copy()
864 def __setstate__(self, p):
865 if not hasattr(self,
'this'):
867 if isinstance(p, tuple):
869 self.__dict__.update(d)
870 return self._set_from_binary(p)
872 __swig_destroy__ = _IMP_multifit.delete_FittingSolutionRecord
875 _IMP_multifit.FittingSolutionRecord_swigregister(FittingSolutionRecord)
879 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
880 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
882 return _IMP_multifit.pca_based_rigid_fitting(*args)
884 def write_markers(pca, out):
885 r"""write_markers(PrincipalComponentAnalysis3D pca, _ostream out)"""
886 return _IMP_multifit.write_markers(pca, out)
888 r"""Proxy of C++ IMP::multifit::ComponentHeader class."""
890 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
893 r"""__init__(ComponentHeader self) -> ComponentHeader"""
894 _IMP_multifit.ComponentHeader_swiginit(self, _IMP_multifit.new_ComponentHeader())
896 def set_name(self, name):
897 r"""set_name(ComponentHeader self, std::string const & name)"""
898 return _IMP_multifit.ComponentHeader_set_name(self, name)
901 r"""get_name(ComponentHeader self) -> std::string"""
902 return _IMP_multifit.ComponentHeader_get_name(self)
904 def get_filename(self):
905 r"""get_filename(ComponentHeader self) -> std::string"""
906 return _IMP_multifit.ComponentHeader_get_filename(self)
908 def set_filename(self, filename):
909 r"""set_filename(ComponentHeader self, std::string const & filename)"""
910 return _IMP_multifit.ComponentHeader_set_filename(self, filename)
912 def get_surface_fn(self):
913 r"""get_surface_fn(ComponentHeader self) -> std::string"""
914 return _IMP_multifit.ComponentHeader_get_surface_fn(self)
916 def set_surface_fn(self, fn):
917 r"""set_surface_fn(ComponentHeader self, std::string const & fn)"""
918 return _IMP_multifit.ComponentHeader_set_surface_fn(self, fn)
920 def set_txt_ap_fn(self, pdb_ap_fn):
921 r"""set_txt_ap_fn(ComponentHeader self, std::string const & pdb_ap_fn)"""
922 return _IMP_multifit.ComponentHeader_set_txt_ap_fn(self, pdb_ap_fn)
924 def get_txt_ap_fn(self):
925 r"""get_txt_ap_fn(ComponentHeader self) -> std::string"""
926 return _IMP_multifit.ComponentHeader_get_txt_ap_fn(self)
928 def set_txt_fine_ap_fn(self, pdb_ap_fn):
929 r"""set_txt_fine_ap_fn(ComponentHeader self, std::string const & pdb_ap_fn)"""
930 return _IMP_multifit.ComponentHeader_set_txt_fine_ap_fn(self, pdb_ap_fn)
932 def get_txt_fine_ap_fn(self):
933 r"""get_txt_fine_ap_fn(ComponentHeader self) -> std::string"""
934 return _IMP_multifit.ComponentHeader_get_txt_fine_ap_fn(self)
936 def set_num_ap(self, num_ap):
937 r"""set_num_ap(ComponentHeader self, int num_ap)"""
938 return _IMP_multifit.ComponentHeader_set_num_ap(self, num_ap)
940 def get_num_ap(self):
941 r"""get_num_ap(ComponentHeader self) -> int"""
942 return _IMP_multifit.ComponentHeader_get_num_ap(self)
944 def set_num_fine_ap(self, num_ap):
945 r"""set_num_fine_ap(ComponentHeader self, int num_ap)"""
946 return _IMP_multifit.ComponentHeader_set_num_fine_ap(self, num_ap)
948 def get_num_fine_ap(self):
949 r"""get_num_fine_ap(ComponentHeader self) -> int"""
950 return _IMP_multifit.ComponentHeader_get_num_fine_ap(self)
952 def set_transformations_fn(self, transformations_fn):
953 r"""set_transformations_fn(ComponentHeader self, std::string transformations_fn)"""
954 return _IMP_multifit.ComponentHeader_set_transformations_fn(self, transformations_fn)
956 def get_transformations_fn(self):
957 r"""get_transformations_fn(ComponentHeader self) -> std::string"""
958 return _IMP_multifit.ComponentHeader_get_transformations_fn(self)
960 def set_reference_fn(self, ref_fn):
961 r"""set_reference_fn(ComponentHeader self, std::string const & ref_fn)"""
962 return _IMP_multifit.ComponentHeader_set_reference_fn(self, ref_fn)
964 def get_reference_fn(self):
965 r"""get_reference_fn(ComponentHeader self) -> std::string"""
966 return _IMP_multifit.ComponentHeader_get_reference_fn(self)
968 def get_version_info(self):
969 r"""get_version_info(ComponentHeader self) -> VersionInfo"""
970 return _IMP_multifit.ComponentHeader_get_version_info(self)
971 __swig_destroy__ = _IMP_multifit.delete_ComponentHeader
974 r"""__str__(ComponentHeader self) -> std::string"""
975 return _IMP_multifit.ComponentHeader___str__(self)
978 r"""__repr__(ComponentHeader self) -> std::string"""
979 return _IMP_multifit.ComponentHeader___repr__(self)
983 return _object_cast_to_ComponentHeader(o)
987 _IMP_multifit.ComponentHeader_swigregister(ComponentHeader)
989 r"""Proxy of C++ IMP::multifit::AssemblyHeader class."""
991 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
994 r"""__init__(AssemblyHeader self) -> AssemblyHeader"""
995 _IMP_multifit.AssemblyHeader_swiginit(self, _IMP_multifit.new_AssemblyHeader())
997 def set_dens_fn(self, dens_fn):
998 r"""set_dens_fn(AssemblyHeader self, std::string const & dens_fn)"""
999 return _IMP_multifit.AssemblyHeader_set_dens_fn(self, dens_fn)
1001 def get_dens_fn(self):
1002 r"""get_dens_fn(AssemblyHeader self) -> std::string"""
1003 return _IMP_multifit.AssemblyHeader_get_dens_fn(self)
1005 def set_resolution(self, res):
1006 r"""set_resolution(AssemblyHeader self, float res)"""
1007 return _IMP_multifit.AssemblyHeader_set_resolution(self, res)
1010 r"""get_resolution(AssemblyHeader self) -> float"""
1011 return _IMP_multifit.AssemblyHeader_get_resolution(self)
1013 def get_spacing(self):
1014 r"""get_spacing(AssemblyHeader self) -> float"""
1015 return _IMP_multifit.AssemblyHeader_get_spacing(self)
1017 def set_spacing(self, spacing):
1018 r"""set_spacing(AssemblyHeader self, float spacing)"""
1019 return _IMP_multifit.AssemblyHeader_set_spacing(self, spacing)
1021 def set_threshold(self, t):
1022 r"""set_threshold(AssemblyHeader self, float t)"""
1023 return _IMP_multifit.AssemblyHeader_set_threshold(self, t)
1025 def get_threshold(self):
1026 r"""get_threshold(AssemblyHeader self) -> float"""
1027 return _IMP_multifit.AssemblyHeader_get_threshold(self)
1029 def get_origin(self):
1030 r"""get_origin(AssemblyHeader self) -> Vector3D"""
1031 return _IMP_multifit.AssemblyHeader_get_origin(self)
1033 def set_origin(self, origin):
1034 r"""set_origin(AssemblyHeader self, Vector3D origin)"""
1035 return _IMP_multifit.AssemblyHeader_set_origin(self, origin)
1037 def get_coarse_ap_fn(self):
1038 r"""get_coarse_ap_fn(AssemblyHeader self) -> std::string"""
1039 return _IMP_multifit.AssemblyHeader_get_coarse_ap_fn(self)
1041 def set_coarse_ap_fn(self, new_fn):
1042 r"""set_coarse_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
1043 return _IMP_multifit.AssemblyHeader_set_coarse_ap_fn(self, new_fn)
1045 def get_coarse_over_sampled_ap_fn(self):
1046 r"""get_coarse_over_sampled_ap_fn(AssemblyHeader self) -> std::string"""
1047 return _IMP_multifit.AssemblyHeader_get_coarse_over_sampled_ap_fn(self)
1049 def set_coarse_over_sampled_ap_fn(self, new_fn):
1050 r"""set_coarse_over_sampled_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
1051 return _IMP_multifit.AssemblyHeader_set_coarse_over_sampled_ap_fn(self, new_fn)
1053 def get_fine_ap_fn(self):
1054 r"""get_fine_ap_fn(AssemblyHeader self) -> std::string"""
1055 return _IMP_multifit.AssemblyHeader_get_fine_ap_fn(self)
1057 def set_fine_ap_fn(self, new_fn):
1058 r"""set_fine_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
1059 return _IMP_multifit.AssemblyHeader_set_fine_ap_fn(self, new_fn)
1061 def get_fine_over_sampled_ap_fn(self):
1062 r"""get_fine_over_sampled_ap_fn(AssemblyHeader self) -> std::string"""
1063 return _IMP_multifit.AssemblyHeader_get_fine_over_sampled_ap_fn(self)
1065 def set_fine_over_sampled_ap_fn(self, new_fn):
1066 r"""set_fine_over_sampled_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
1067 return _IMP_multifit.AssemblyHeader_set_fine_over_sampled_ap_fn(self, new_fn)
1069 def get_version_info(self):
1070 r"""get_version_info(AssemblyHeader self) -> VersionInfo"""
1071 return _IMP_multifit.AssemblyHeader_get_version_info(self)
1072 __swig_destroy__ = _IMP_multifit.delete_AssemblyHeader
1075 r"""__str__(AssemblyHeader self) -> std::string"""
1076 return _IMP_multifit.AssemblyHeader___str__(self)
1079 r"""__repr__(AssemblyHeader self) -> std::string"""
1080 return _IMP_multifit.AssemblyHeader___repr__(self)
1084 return _object_cast_to_AssemblyHeader(o)
1088 _IMP_multifit.AssemblyHeader_swigregister(AssemblyHeader)
1090 r"""Proxy of C++ IMP::multifit::SettingsData class."""
1092 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1095 r"""__init__(SettingsData self) -> SettingsData"""
1096 _IMP_multifit.SettingsData_swiginit(self, _IMP_multifit.new_SettingsData())
1099 def show_component_header_line(*args):
1100 r"""show_component_header_line(_ostream out=std::cout)"""
1101 return _IMP_multifit.SettingsData_show_component_header_line(*args)
1104 def get_component_header_line():
1105 r"""get_component_header_line() -> std::string"""
1106 return _IMP_multifit.SettingsData_get_component_header_line()
1109 def show_density_header_line(*args):
1110 r"""show_density_header_line(_ostream out=std::cout)"""
1111 return _IMP_multifit.SettingsData_show_density_header_line(*args)
1114 def get_density_header_line():
1115 r"""get_density_header_line() -> std::string"""
1116 return _IMP_multifit.SettingsData_get_density_header_line()
1118 def set_assembly_filename(self, fn):
1119 r"""set_assembly_filename(SettingsData self, std::string const & fn)"""
1120 return _IMP_multifit.SettingsData_set_assembly_filename(self, fn)
1122 def get_assembly_filename(self):
1123 r"""get_assembly_filename(SettingsData self) -> char const *"""
1124 return _IMP_multifit.SettingsData_get_assembly_filename(self)
1126 def set_assembly_header(self, h):
1127 r"""set_assembly_header(SettingsData self, AssemblyHeader h)"""
1128 return _IMP_multifit.SettingsData_set_assembly_header(self, h)
1130 def get_assembly_header(self):
1131 r"""get_assembly_header(SettingsData self) -> AssemblyHeader"""
1132 return _IMP_multifit.SettingsData_get_assembly_header(self)
1134 def set_data_path(self, fn):
1135 r"""set_data_path(SettingsData self, std::string const & fn)"""
1136 return _IMP_multifit.SettingsData_set_data_path(self, fn)
1139 r"""get_data_path(SettingsData self) -> std::string"""
1140 return _IMP_multifit.SettingsData_get_data_path(self)
1142 def get_version_info(self):
1143 r"""get_version_info(SettingsData self) -> VersionInfo"""
1144 return _IMP_multifit.SettingsData_get_version_info(self)
1145 __swig_destroy__ = _IMP_multifit.delete_SettingsData
1146 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)
1147 def __set_component_headers(self, obj): IMP._list_util.set_varlist(self.component_headers, obj)
1148 def __del_component_headers(self): IMP._list_util.del_varlist(self.component_headers)
1149 component_headers = property(__get_component_headers, __set_component_headers, __del_component_headers, doc=
"List of ##ucnames")
1151 def remove_component_header(self, d):
1152 r"""remove_component_header(SettingsData self, ComponentHeader d)"""
1153 return _IMP_multifit.SettingsData_remove_component_header(self, d)
1155 def _python_index_component_header(self, d, start, stop):
1156 r"""_python_index_component_header(SettingsData self, ComponentHeader d, unsigned int start, unsigned int stop) -> unsigned int"""
1157 return _IMP_multifit.SettingsData__python_index_component_header(self, d, start, stop)
1159 def remove_component_headers(self, d):
1160 r"""remove_component_headers(SettingsData self, IMP::multifit::ComponentHeaders const & d)"""
1161 return _IMP_multifit.SettingsData_remove_component_headers(self, d)
1163 def set_component_headers(self, ps):
1164 r"""set_component_headers(SettingsData self, IMP::multifit::ComponentHeaders const & ps)"""
1165 return _IMP_multifit.SettingsData_set_component_headers(self, ps)
1167 def set_component_headers_order(self, objs):
1168 r"""set_component_headers_order(SettingsData self, IMP::multifit::ComponentHeaders const & objs)"""
1169 return _IMP_multifit.SettingsData_set_component_headers_order(self, objs)
1171 def add_component_header(self, obj):
1172 r"""add_component_header(SettingsData self, ComponentHeader obj) -> unsigned int"""
1173 return _IMP_multifit.SettingsData_add_component_header(self, obj)
1175 def add_component_headers(self, objs):
1176 r"""add_component_headers(SettingsData self, IMP::multifit::ComponentHeaders const & objs)"""
1177 return _IMP_multifit.SettingsData_add_component_headers(self, objs)
1179 def clear_component_headers(self):
1180 r"""clear_component_headers(SettingsData self)"""
1181 return _IMP_multifit.SettingsData_clear_component_headers(self)
1183 def get_number_of_component_headers(self):
1184 r"""get_number_of_component_headers(SettingsData self) -> unsigned int"""
1185 return _IMP_multifit.SettingsData_get_number_of_component_headers(self)
1187 def get_has_component_headers(self):
1188 r"""get_has_component_headers(SettingsData self) -> bool"""
1189 return _IMP_multifit.SettingsData_get_has_component_headers(self)
1191 def get_component_header(self, i):
1192 r"""get_component_header(SettingsData self, unsigned int i) -> ComponentHeader"""
1193 return _IMP_multifit.SettingsData_get_component_header(self, i)
1195 def get_component_headers(self):
1196 r"""get_component_headers(SettingsData self) -> IMP::multifit::ComponentHeaders"""
1197 return _IMP_multifit.SettingsData_get_component_headers(self)
1199 def erase_component_header(self, i):
1200 r"""erase_component_header(SettingsData self, unsigned int i)"""
1201 return _IMP_multifit.SettingsData_erase_component_header(self, i)
1203 def reserve_component_headers(self, sz):
1204 r"""reserve_component_headers(SettingsData self, unsigned int sz)"""
1205 return _IMP_multifit.SettingsData_reserve_component_headers(self, sz)
1208 r"""__str__(SettingsData self) -> std::string"""
1209 return _IMP_multifit.SettingsData___str__(self)
1212 r"""__repr__(SettingsData self) -> std::string"""
1213 return _IMP_multifit.SettingsData___repr__(self)
1217 return _object_cast_to_SettingsData(o)
1221 _IMP_multifit.SettingsData_swigregister(SettingsData)
1223 def read_settings(filename):
1224 r"""read_settings(char const * filename) -> SettingsData"""
1225 return _IMP_multifit.read_settings(filename)
1227 def write_settings(filename, sd):
1228 r"""write_settings(char const * filename, SettingsData sd)"""
1229 return _IMP_multifit.write_settings(filename, sd)
1231 r"""Proxy of C++ IMP::multifit::WeightedExcludedVolumeRestraint class."""
1233 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1235 def __init__(self, *args):
1236 r"""__init__(WeightedExcludedVolumeRestraint self, IMP::core::RigidBodies rbs, Refiner refiner, FloatKey weight_key=IMP::atom::Mass::get_mass_key()) -> WeightedExcludedVolumeRestraint"""
1237 _IMP_multifit.WeightedExcludedVolumeRestraint_swiginit(self, _IMP_multifit.new_WeightedExcludedVolumeRestraint(*args))
1239 def do_get_inputs(self):
1240 r"""do_get_inputs(WeightedExcludedVolumeRestraint self) -> IMP::ModelObjectsTemp"""
1241 return _IMP_multifit.WeightedExcludedVolumeRestraint_do_get_inputs(self)
1243 def get_version_info(self):
1244 r"""get_version_info(WeightedExcludedVolumeRestraint self) -> VersionInfo"""
1245 return _IMP_multifit.WeightedExcludedVolumeRestraint_get_version_info(self)
1246 __swig_destroy__ = _IMP_multifit.delete_WeightedExcludedVolumeRestraint
1249 r"""__str__(WeightedExcludedVolumeRestraint self) -> std::string"""
1250 return _IMP_multifit.WeightedExcludedVolumeRestraint___str__(self)
1253 r"""__repr__(WeightedExcludedVolumeRestraint self) -> std::string"""
1254 return _IMP_multifit.WeightedExcludedVolumeRestraint___repr__(self)
1258 return _object_cast_to_WeightedExcludedVolumeRestraint(o)
1262 _IMP_multifit.WeightedExcludedVolumeRestraint_swigregister(WeightedExcludedVolumeRestraint)
1264 r"""Proxy of C++ IMP::multifit::FFTFittingOutput class."""
1266 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1269 r"""__init__(FFTFittingOutput self) -> FFTFittingOutput"""
1270 _IMP_multifit.FFTFittingOutput_swiginit(self, _IMP_multifit.new_FFTFittingOutput())
1272 def get_version_info(self):
1273 r"""get_version_info(FFTFittingOutput self) -> VersionInfo"""
1274 return _IMP_multifit.FFTFittingOutput_get_version_info(self)
1275 __swig_destroy__ = _IMP_multifit.delete_FFTFittingOutput
1276 best_fits_ = property(_IMP_multifit.FFTFittingOutput_best_fits__get, _IMP_multifit.FFTFittingOutput_best_fits__set, doc=
r"""best_fits_ : IMP::multifit::FittingSolutionRecords""")
1277 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""")
1280 r"""__str__(FFTFittingOutput self) -> std::string"""
1281 return _IMP_multifit.FFTFittingOutput___str__(self)
1284 r"""__repr__(FFTFittingOutput self) -> std::string"""
1285 return _IMP_multifit.FFTFittingOutput___repr__(self)
1289 return _object_cast_to_FFTFittingOutput(o)
1293 _IMP_multifit.FFTFittingOutput_swigregister(FFTFittingOutput)
1295 r"""Proxy of C++ IMP::multifit::FFTFitting class."""
1297 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1299 def get_version_info(self):
1300 r"""get_version_info(FFTFitting self) -> VersionInfo"""
1301 return _IMP_multifit.FFTFitting_get_version_info(self)
1302 __swig_destroy__ = _IMP_multifit.delete_FFTFitting
1305 r"""__init__(FFTFitting self) -> FFTFitting"""
1306 _IMP_multifit.FFTFitting_swiginit(self, _IMP_multifit.new_FFTFitting())
1308 def do_global_fitting(self, *args):
1309 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"""
1310 return _IMP_multifit.FFTFitting_do_global_fitting(self, *args)
1312 def do_local_fitting(self, *args):
1313 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"""
1314 return _IMP_multifit.FFTFitting_do_local_fitting(self, *args)
1317 r"""__str__(FFTFitting self) -> std::string"""
1318 return _IMP_multifit.FFTFitting___str__(self)
1321 r"""__repr__(FFTFitting self) -> std::string"""
1322 return _IMP_multifit.FFTFitting___repr__(self)
1326 return _object_cast_to_FFTFitting(o)
1330 _IMP_multifit.FFTFitting_swigregister(FFTFitting)
1333 r"""fft_based_rigid_fitting(Hierarchy mol2fit, DensityMap dmap, double density_threshold, double angle_sampling_interval_rad) -> IMP::multifit::FittingSolutionRecords"""
1334 return _IMP_multifit.fft_based_rigid_fitting(mol2fit, dmap, density_threshold, angle_sampling_interval_rad)
1337 r"""remove_background(DensityMap dmap, float threshold, float edge_threshold) -> DensityMap"""
1338 return _IMP_multifit.remove_background(dmap, threshold, edge_threshold)
1341 r"""get_connected_components(DensityMap dmap, float threshold, float edge_threshold) -> IMP::IntsList"""
1342 return _IMP_multifit.get_connected_components(dmap, threshold, edge_threshold)
1344 def get_segmentation(dmap, apix, density_threshold, num_means, pdb_filename, cmm_filename, seg_filename, txt_filename):
1345 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)"""
1346 return _IMP_multifit.get_segmentation(dmap, apix, density_threshold, num_means, pdb_filename, cmm_filename, seg_filename, txt_filename)
1348 r"""Proxy of C++ IMP::multifit::ComplementarityRestraint class."""
1350 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1352 def __init__(self, *args):
1353 r"""__init__(ComplementarityRestraint self, IMP::ParticlesTemp const & a, IMP::ParticlesTemp const & b, std::string name="ComplementarityRestraint %1%") -> ComplementarityRestraint"""
1354 _IMP_multifit.ComplementarityRestraint_swiginit(self, _IMP_multifit.new_ComplementarityRestraint(*args))
1356 def set_maximum_penetration_score(self, s):
1357 r"""set_maximum_penetration_score(ComplementarityRestraint self, double s)"""
1358 return _IMP_multifit.ComplementarityRestraint_set_maximum_penetration_score(self, s)
1360 def set_maximum_penetration(self, d):
1361 r"""set_maximum_penetration(ComplementarityRestraint self, double d)"""
1362 return _IMP_multifit.ComplementarityRestraint_set_maximum_penetration(self, d)
1364 def set_maximum_separation(self, s):
1365 r"""set_maximum_separation(ComplementarityRestraint self, double s)"""
1366 return _IMP_multifit.ComplementarityRestraint_set_maximum_separation(self, s)
1368 def set_complementarity_thickness(self, th):
1369 r"""set_complementarity_thickness(ComplementarityRestraint self, double th)"""
1370 return _IMP_multifit.ComplementarityRestraint_set_complementarity_thickness(self, th)
1372 def set_complementarity_value(self, th):
1373 r"""set_complementarity_value(ComplementarityRestraint self, double th)"""
1374 return _IMP_multifit.ComplementarityRestraint_set_complementarity_value(self, th)
1376 def set_interior_layer_thickness(self, th):
1377 r"""set_interior_layer_thickness(ComplementarityRestraint self, double th)"""
1378 return _IMP_multifit.ComplementarityRestraint_set_interior_layer_thickness(self, th)
1380 def set_penetration_coefficient(self, pc):
1381 r"""set_penetration_coefficient(ComplementarityRestraint self, double pc)"""
1382 return _IMP_multifit.ComplementarityRestraint_set_penetration_coefficient(self, pc)
1384 def set_complementarity_coefficient(self, cc):
1385 r"""set_complementarity_coefficient(ComplementarityRestraint self, double cc)"""
1386 return _IMP_multifit.ComplementarityRestraint_set_complementarity_coefficient(self, cc)
1388 def set_boundary_coefficient(self, bc):
1389 r"""set_boundary_coefficient(ComplementarityRestraint self, double bc)"""
1390 return _IMP_multifit.ComplementarityRestraint_set_boundary_coefficient(self, bc)
1392 def get_voxel_size(self):
1393 r"""get_voxel_size(ComplementarityRestraint self) -> float"""
1394 return _IMP_multifit.ComplementarityRestraint_get_voxel_size(self)
1396 def do_get_inputs(self):
1397 r"""do_get_inputs(ComplementarityRestraint self) -> IMP::ModelObjectsTemp"""
1398 return _IMP_multifit.ComplementarityRestraint_do_get_inputs(self)
1400 def get_version_info(self):
1401 r"""get_version_info(ComplementarityRestraint self) -> VersionInfo"""
1402 return _IMP_multifit.ComplementarityRestraint_get_version_info(self)
1403 __swig_destroy__ = _IMP_multifit.delete_ComplementarityRestraint
1406 r"""__str__(ComplementarityRestraint self) -> std::string"""
1407 return _IMP_multifit.ComplementarityRestraint___str__(self)
1410 r"""__repr__(ComplementarityRestraint self) -> std::string"""
1411 return _IMP_multifit.ComplementarityRestraint___repr__(self)
1415 return _object_cast_to_ComplementarityRestraint(o)
1419 _IMP_multifit.ComplementarityRestraint_swigregister(ComplementarityRestraint)
1422 r"""read_fitting_solutions(char const * fitting_fn) -> IMP::multifit::FittingSolutionRecords"""
1423 return _IMP_multifit.read_fitting_solutions(fitting_fn)
1426 r"""write_fitting_solutions(char const * fitting_fn, IMP::multifit::FittingSolutionRecords const & fit_sols, int num_sols=-1)"""
1427 return _IMP_multifit.write_fitting_solutions(fitting_fn, fit_sols, num_sols)
1429 def convert_em_to_multifit_format(em_fits):
1430 r"""convert_em_to_multifit_format(FittingSolutions em_fits) -> IMP::multifit::FittingSolutionRecords"""
1431 return _IMP_multifit.convert_em_to_multifit_format(em_fits)
1433 def convert_multifit_to_em_format(multifit_fits):
1434 r"""convert_multifit_to_em_format(IMP::multifit::FittingSolutionRecords const & multifit_fits) -> FittingSolutions"""
1435 return _IMP_multifit.convert_multifit_to_em_format(multifit_fits)
1437 def convert_transformations_to_multifit_format(trans):
1438 r"""convert_transformations_to_multifit_format(IMP::algebra::Transformation3Ds const & trans) -> IMP::multifit::FittingSolutionRecords"""
1439 return _IMP_multifit.convert_transformations_to_multifit_format(trans)
1441 def convert_multifit_format_to_transformations(recs):
1442 r"""convert_multifit_format_to_transformations(IMP::multifit::FittingSolutionRecords const & recs) -> IMP::algebra::Transformation3Ds"""
1443 return _IMP_multifit.convert_multifit_format_to_transformations(recs)
1446 r"""get_close_to_point(IMP::multifit::FittingSolutionRecords const & fit_sols, Hierarchy mh, Particle ap, IMP::Float dist) -> IMP::multifit::FittingSolutionRecords"""
1447 return _IMP_multifit.get_close_to_point(fit_sols, mh, ap, dist)
1449 r"""Proxy of C++ IMP::multifit::ProbabilisticAnchorGraph class."""
1451 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1453 def __init__(self, anchor_positions):
1454 r"""__init__(ProbabilisticAnchorGraph self, IMP::algebra::Vector3Ds anchor_positions) -> ProbabilisticAnchorGraph"""
1455 _IMP_multifit.ProbabilisticAnchorGraph_swiginit(self, _IMP_multifit.new_ProbabilisticAnchorGraph(anchor_positions))
1457 def add_edge(self, i, j):
1458 r"""add_edge(ProbabilisticAnchorGraph self, int i, int j)"""
1459 return _IMP_multifit.ProbabilisticAnchorGraph_add_edge(self, i, j)
1461 def set_particle_probabilities_on_anchors(self, p, sols):
1462 r"""set_particle_probabilities_on_anchors(ProbabilisticAnchorGraph self, Particle p, IMP::multifit::FittingSolutionRecords sols)"""
1463 return _IMP_multifit.ProbabilisticAnchorGraph_set_particle_probabilities_on_anchors(self, p, sols)
1465 def show(self, *args):
1466 r"""show(ProbabilisticAnchorGraph self, _ostream out=std::cout)"""
1467 return _IMP_multifit.ProbabilisticAnchorGraph_show(self, *args)
1469 def get_number_of_anchors(self):
1470 r"""get_number_of_anchors(ProbabilisticAnchorGraph self) -> unsigned int"""
1471 return _IMP_multifit.ProbabilisticAnchorGraph_get_number_of_anchors(self)
1473 def get_number_of_edges(self):
1474 r"""get_number_of_edges(ProbabilisticAnchorGraph self) -> unsigned int"""
1475 return _IMP_multifit.ProbabilisticAnchorGraph_get_number_of_edges(self)
1477 def get_edge_list(self):
1478 r"""get_edge_list(ProbabilisticAnchorGraph self) -> IMP::IntRanges"""
1479 return _IMP_multifit.ProbabilisticAnchorGraph_get_edge_list(self)
1481 def get_anchors(self):
1482 r"""get_anchors(ProbabilisticAnchorGraph self) -> IMP::algebra::Vector3Ds"""
1483 return _IMP_multifit.ProbabilisticAnchorGraph_get_anchors(self)
1485 def get_particle_anchors(self, p, min_prob=0):
1486 r"""get_particle_anchors(ProbabilisticAnchorGraph self, Particle p, float min_prob=0) -> IMP::algebra::Vector3Ds"""
1487 return _IMP_multifit.ProbabilisticAnchorGraph_get_particle_anchors(self, p, min_prob)
1489 def get_are_probabilities_for_particle_set(self, p):
1490 r"""get_are_probabilities_for_particle_set(ProbabilisticAnchorGraph self, Particle p) -> bool"""
1491 return _IMP_multifit.ProbabilisticAnchorGraph_get_are_probabilities_for_particle_set(self, p)
1493 def get_particle_probabilities(self, p):
1494 r"""get_particle_probabilities(ProbabilisticAnchorGraph self, Particle p) -> IMP::Floats"""
1495 return _IMP_multifit.ProbabilisticAnchorGraph_get_particle_probabilities(self, p)
1497 def get_version_info(self):
1498 r"""get_version_info(ProbabilisticAnchorGraph self) -> VersionInfo"""
1499 return _IMP_multifit.ProbabilisticAnchorGraph_get_version_info(self)
1500 __swig_destroy__ = _IMP_multifit.delete_ProbabilisticAnchorGraph
1503 r"""__str__(ProbabilisticAnchorGraph self) -> std::string"""
1504 return _IMP_multifit.ProbabilisticAnchorGraph___str__(self)
1507 r"""__repr__(ProbabilisticAnchorGraph self) -> std::string"""
1508 return _IMP_multifit.ProbabilisticAnchorGraph___repr__(self)
1512 return _object_cast_to_ProbabilisticAnchorGraph(o)
1516 _IMP_multifit.ProbabilisticAnchorGraph_swigregister(ProbabilisticAnchorGraph)
1517 class ProteinRecordData(object):
1518 r"""Proxy of C++ IMP::multifit::ProteinRecordData class."""
1520 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1522 def reset_all(self):
1523 r"""reset_all(ProteinRecordData self)"""
1524 return _IMP_multifit.ProteinRecordData_reset_all(self)
1526 def __init__(self, *args):
1528 __init__(ProteinRecordData self) -> ProteinRecordData
1529 __init__(ProteinRecordData self, std::string const & name) -> ProteinRecordData
1530 __init__(ProteinRecordData self, std::string const & name, std::string const fn) -> ProteinRecordData
1531 __init__(ProteinRecordData self, std::string const & name, int start_res, int end_res, std::string const fn) -> ProteinRecordData
1532 __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
1534 _IMP_multifit.ProteinRecordData_swiginit(self, _IMP_multifit.new_ProteinRecordData(*args))
1536 def show(self, *args):
1537 r"""show(ProteinRecordData self, _ostream out=std::cout)"""
1538 return _IMP_multifit.ProteinRecordData_show(self, *args)
1539 name_ = property(_IMP_multifit.ProteinRecordData_name__get, _IMP_multifit.ProteinRecordData_name__set, doc=
r"""name_ : std::string""")
1540 start_res_ = property(_IMP_multifit.ProteinRecordData_start_res__get, _IMP_multifit.ProteinRecordData_start_res__set, doc=
r"""start_res_ : int""")
1541 end_res_ = property(_IMP_multifit.ProteinRecordData_end_res__get, _IMP_multifit.ProteinRecordData_end_res__set, doc=
r"""end_res_ : int""")
1542 filename_ = property(_IMP_multifit.ProteinRecordData_filename__get, _IMP_multifit.ProteinRecordData_filename__set, doc=
r"""filename_ : std::string""")
1543 surface_filename_ = property(_IMP_multifit.ProteinRecordData_surface_filename__get, _IMP_multifit.ProteinRecordData_surface_filename__set, doc=
r"""surface_filename_ : std::string""")
1544 ref_filename_ = property(_IMP_multifit.ProteinRecordData_ref_filename__get, _IMP_multifit.ProteinRecordData_ref_filename__set, doc=
r"""ref_filename_ : std::string""")
1547 r"""__str__(ProteinRecordData self) -> std::string"""
1548 return _IMP_multifit.ProteinRecordData___str__(self)
1551 r"""__repr__(ProteinRecordData self) -> std::string"""
1552 return _IMP_multifit.ProteinRecordData___repr__(self)
1554 def _get_as_binary(self):
1555 r"""_get_as_binary(ProteinRecordData self) -> PyObject *"""
1556 return _IMP_multifit.ProteinRecordData__get_as_binary(self)
1558 def _set_from_binary(self, p):
1559 r"""_set_from_binary(ProteinRecordData self, PyObject * p)"""
1560 return _IMP_multifit.ProteinRecordData__set_from_binary(self, p)
1562 def __getstate__(self):
1563 p = self._get_as_binary()
1564 if len(self.__dict__) > 1:
1565 d = self.__dict__.copy()
1570 def __setstate__(self, p):
1571 if not hasattr(self,
'this'):
1573 if isinstance(p, tuple):
1575 self.__dict__.update(d)
1576 return self._set_from_binary(p)
1578 __swig_destroy__ = _IMP_multifit.delete_ProteinRecordData
1581 _IMP_multifit.ProteinRecordData_swigregister(ProteinRecordData)
1583 r"""Proxy of C++ IMP::multifit::ProteomicsData class."""
1585 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1588 r"""__init__(ProteomicsData self) -> ProteomicsData"""
1589 _IMP_multifit.ProteomicsData_swiginit(self, _IMP_multifit.new_ProteomicsData())
1591 def add_protein(self, *args):
1593 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
1594 add_protein(ProteomicsData self, ProteinRecordData rec) -> int
1596 return _IMP_multifit.ProteomicsData_add_protein(self, *args)
1598 def find(self, name):
1599 r"""find(ProteomicsData self, std::string const & name) -> int"""
1600 return _IMP_multifit.ProteomicsData_find(self, name)
1602 def add_interaction(self, ii, used_for_filter, linker_len):
1603 r"""add_interaction(ProteomicsData self, IMP::Ints const & ii, bool used_for_filter, float linker_len)"""
1604 return _IMP_multifit.ProteomicsData_add_interaction(self, ii, used_for_filter, linker_len)
1606 def add_cross_link_interaction(self, prot1, res1, prot2, res2, used_in_filter, linker_len):
1607 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)"""
1608 return _IMP_multifit.ProteomicsData_add_cross_link_interaction(self, prot1, res1, prot2, res2, used_in_filter, linker_len)
1610 def add_ev_pair(self, prot1, prot2):
1611 r"""add_ev_pair(ProteomicsData self, IMP::Int prot1, IMP::Int prot2)"""
1612 return _IMP_multifit.ProteomicsData_add_ev_pair(self, prot1, prot2)
1614 def get_number_of_proteins(self):
1615 r"""get_number_of_proteins(ProteomicsData self) -> int"""
1616 return _IMP_multifit.ProteomicsData_get_number_of_proteins(self)
1618 def get_number_of_interactions(self):
1619 r"""get_number_of_interactions(ProteomicsData self) -> int"""
1620 return _IMP_multifit.ProteomicsData_get_number_of_interactions(self)
1622 def get_interaction(self, interaction_ind):
1623 r"""get_interaction(ProteomicsData self, int interaction_ind) -> IMP::Ints"""
1624 return _IMP_multifit.ProteomicsData_get_interaction(self, interaction_ind)
1626 def get_interaction_part_of_filter(self, interaction_ind):
1627 r"""get_interaction_part_of_filter(ProteomicsData self, int interaction_ind) -> bool"""
1628 return _IMP_multifit.ProteomicsData_get_interaction_part_of_filter(self, interaction_ind)
1630 def get_interaction_linker_length(self, interaction_ind):
1631 r"""get_interaction_linker_length(ProteomicsData self, int interaction_ind) -> int"""
1632 return _IMP_multifit.ProteomicsData_get_interaction_linker_length(self, interaction_ind)
1634 def get_number_of_cross_links(self):
1635 r"""get_number_of_cross_links(ProteomicsData self) -> int"""
1636 return _IMP_multifit.ProteomicsData_get_number_of_cross_links(self)
1638 def get_cross_link(self, xlink_ind):
1639 r"""get_cross_link(ProteomicsData self, int xlink_ind) -> std::pair< IMP::IntPair,IMP::IntPair >"""
1640 return _IMP_multifit.ProteomicsData_get_cross_link(self, xlink_ind)
1642 def get_cross_link_part_of_filter(self, xlink_ind):
1643 r"""get_cross_link_part_of_filter(ProteomicsData self, int xlink_ind) -> bool"""
1644 return _IMP_multifit.ProteomicsData_get_cross_link_part_of_filter(self, xlink_ind)
1646 def get_cross_link_length(self, xlink_ind):
1647 r"""get_cross_link_length(ProteomicsData self, int xlink_ind) -> float"""
1648 return _IMP_multifit.ProteomicsData_get_cross_link_length(self, xlink_ind)
1650 def get_number_of_ev_pairs(self):
1651 r"""get_number_of_ev_pairs(ProteomicsData self) -> int"""
1652 return _IMP_multifit.ProteomicsData_get_number_of_ev_pairs(self)
1654 def get_ev_pair(self, ev_ind):
1655 r"""get_ev_pair(ProteomicsData self, int ev_ind) -> IMP::IntPair"""
1656 return _IMP_multifit.ProteomicsData_get_ev_pair(self, ev_ind)
1658 def get_protein_name(self, protein_ind):
1659 r"""get_protein_name(ProteomicsData self, int protein_ind) -> std::string"""
1660 return _IMP_multifit.ProteomicsData_get_protein_name(self, protein_ind)
1662 def get_end_res(self, protein_ind):
1663 r"""get_end_res(ProteomicsData self, int protein_ind) -> int"""
1664 return _IMP_multifit.ProteomicsData_get_end_res(self, protein_ind)
1666 def get_start_res(self, protein_ind):
1667 r"""get_start_res(ProteomicsData self, int protein_ind) -> int"""
1668 return _IMP_multifit.ProteomicsData_get_start_res(self, protein_ind)
1670 def get_protein_filename(self, protein_ind):
1671 r"""get_protein_filename(ProteomicsData self, int protein_ind) -> std::string"""
1672 return _IMP_multifit.ProteomicsData_get_protein_filename(self, protein_ind)
1674 def get_reference_filename(self, protein_ind):
1675 r"""get_reference_filename(ProteomicsData self, int protein_ind) -> std::string"""
1676 return _IMP_multifit.ProteomicsData_get_reference_filename(self, protein_ind)
1678 def get_surface_filename(self, protein_ind):
1679 r"""get_surface_filename(ProteomicsData self, int protein_ind) -> std::string"""
1680 return _IMP_multifit.ProteomicsData_get_surface_filename(self, protein_ind)
1682 def get_protein_data(self, protein_ind):
1683 r"""get_protein_data(ProteomicsData self, int protein_ind) -> ProteinRecordData"""
1684 return _IMP_multifit.ProteomicsData_get_protein_data(self, protein_ind)
1686 def get_version_info(self):
1687 r"""get_version_info(ProteomicsData self) -> VersionInfo"""
1688 return _IMP_multifit.ProteomicsData_get_version_info(self)
1689 __swig_destroy__ = _IMP_multifit.delete_ProteomicsData
1691 def get_num_allowed_violated_interactions(self):
1692 r"""get_num_allowed_violated_interactions(ProteomicsData self) -> int"""
1693 return _IMP_multifit.ProteomicsData_get_num_allowed_violated_interactions(self)
1695 def set_num_allowed_violated_interactions(self, n):
1696 r"""set_num_allowed_violated_interactions(ProteomicsData self, int n)"""
1697 return _IMP_multifit.ProteomicsData_set_num_allowed_violated_interactions(self, n)
1699 def get_num_allowed_violated_cross_links(self):
1700 r"""get_num_allowed_violated_cross_links(ProteomicsData self) -> int"""
1701 return _IMP_multifit.ProteomicsData_get_num_allowed_violated_cross_links(self)
1703 def set_num_allowed_violated_cross_links(self, n):
1704 r"""set_num_allowed_violated_cross_links(ProteomicsData self, int n)"""
1705 return _IMP_multifit.ProteomicsData_set_num_allowed_violated_cross_links(self, n)
1707 def get_num_allowed_violated_ev(self):
1708 r"""get_num_allowed_violated_ev(ProteomicsData self) -> int"""
1709 return _IMP_multifit.ProteomicsData_get_num_allowed_violated_ev(self)
1711 def set_num_allowed_violated_ev(self, n):
1712 r"""set_num_allowed_violated_ev(ProteomicsData self, int n)"""
1713 return _IMP_multifit.ProteomicsData_set_num_allowed_violated_ev(self, n)
1716 r"""__str__(ProteomicsData self) -> std::string"""
1717 return _IMP_multifit.ProteomicsData___str__(self)
1720 r"""__repr__(ProteomicsData self) -> std::string"""
1721 return _IMP_multifit.ProteomicsData___repr__(self)
1725 return _object_cast_to_ProteomicsData(o)
1729 _IMP_multifit.ProteomicsData_swigregister(ProteomicsData)
1732 r"""read_proteomics_data(char const * proteomics_fn) -> ProteomicsData"""
1733 return _IMP_multifit.read_proteomics_data(proteomics_fn)
1735 def get_partial_proteomics_data(pd, prot_names):
1736 r"""get_partial_proteomics_data(ProteomicsData pd, IMP::Strings const & prot_names) -> ProteomicsData"""
1737 return _IMP_multifit.get_partial_proteomics_data(pd, prot_names)
1738 class AnchorsData(object):
1739 r"""Proxy of C++ IMP::multifit::AnchorsData class."""
1741 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1743 def __init__(self, *args):
1745 __init__(AnchorsData self) -> AnchorsData
1746 __init__(AnchorsData self, IMP::algebra::Vector3Ds points, IMP::IntPairs edges) -> AnchorsData
1748 _IMP_multifit.AnchorsData_swiginit(self, _IMP_multifit.new_AnchorsData(*args))
1750 def remove_edges_for_node(self, node_ind):
1751 r"""remove_edges_for_node(AnchorsData self, int node_ind)"""
1752 return _IMP_multifit.AnchorsData_remove_edges_for_node(self, node_ind)
1754 def get_number_of_points(self):
1755 r"""get_number_of_points(AnchorsData self) -> int"""
1756 return _IMP_multifit.AnchorsData_get_number_of_points(self)
1758 def get_number_of_edges(self):
1759 r"""get_number_of_edges(AnchorsData self) -> int"""
1760 return _IMP_multifit.AnchorsData_get_number_of_edges(self)
1762 def get_is_point_considered(self, node_ind):
1763 r"""get_is_point_considered(AnchorsData self, int node_ind) -> bool"""
1764 return _IMP_multifit.AnchorsData_get_is_point_considered(self, node_ind)
1766 def show(self, *args):
1767 r"""show(AnchorsData self, _ostream out=std::cout)"""
1768 return _IMP_multifit.AnchorsData_show(self, *args)
1770 def get_secondary_structure_is_set(self):
1771 r"""get_secondary_structure_is_set(AnchorsData self) -> bool"""
1772 return _IMP_multifit.AnchorsData_get_secondary_structure_is_set(self)
1774 def setup_secondary_structure(self, mdl):
1775 r"""setup_secondary_structure(AnchorsData self, Model mdl)"""
1776 return _IMP_multifit.AnchorsData_setup_secondary_structure(self, mdl)
1778 def set_secondary_structure_probabilities(self, *args):
1779 r"""set_secondary_structure_probabilities(AnchorsData self, IMP::Particles const & ssres_ps, IMP::Ints const & indices=IMP::Ints())"""
1780 return _IMP_multifit.AnchorsData_set_secondary_structure_probabilities(self, *args)
1782 def get_secondary_structure_particles(self):
1783 r"""get_secondary_structure_particles(AnchorsData self) -> IMP::Particles"""
1784 return _IMP_multifit.AnchorsData_get_secondary_structure_particles(self)
1785 points_ = property(_IMP_multifit.AnchorsData_points__get, _IMP_multifit.AnchorsData_points__set, doc=
r"""points_ : IMP::algebra::Vector3Ds""")
1786 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)>)>""")
1787 edges_ = property(_IMP_multifit.AnchorsData_edges__get, _IMP_multifit.AnchorsData_edges__set, doc=
r"""edges_ : IMP::IntPairs""")
1790 r"""__str__(AnchorsData self) -> std::string"""
1791 return _IMP_multifit.AnchorsData___str__(self)
1794 r"""__repr__(AnchorsData self) -> std::string"""
1795 return _IMP_multifit.AnchorsData___repr__(self)
1796 __swig_destroy__ = _IMP_multifit.delete_AnchorsData
1799 _IMP_multifit.AnchorsData_swigregister(AnchorsData)
1801 def read_anchors_data(txt_filename):
1802 r"""read_anchors_data(char const * txt_filename) -> AnchorsData"""
1803 return _IMP_multifit.read_anchors_data(txt_filename)
1805 def write_txt(txt_filename, ad):
1806 r"""write_txt(std::string const & txt_filename, AnchorsData ad)"""
1807 return _IMP_multifit.write_txt(txt_filename, ad)
1809 def write_cmm(cmm_filename, marker_set_name, dpa):
1810 r"""write_cmm(std::string const & cmm_filename, std::string const & marker_set_name, AnchorsData dpa)"""
1811 return _IMP_multifit.write_cmm(cmm_filename, marker_set_name, dpa)
1814 r"""create_coarse_molecule_from_density(DensityMap dmap, float dens_threshold, int num_beads, Model mdl, float bead_radius) -> Hierarchy"""
1815 return _IMP_multifit.create_coarse_molecule_from_density(dmap, dens_threshold, num_beads, mdl, bead_radius)
1817 def create_hit_map(rb, rb_ref, sols, damp):
1818 r"""create_hit_map(RigidBody rb, Refiner rb_ref, IMP::multifit::FittingSolutionRecords const & sols, DensityMap damp) -> DensityMap"""
1819 return _IMP_multifit.create_hit_map(rb, rb_ref, sols, damp)
1822 r"""get_points_close_to_molecule(Hierarchy mh, IMP::algebra::Vector3Ds const points, IMP::Float max_dist) -> IMP::algebra::Vector3Ds"""
1823 return _IMP_multifit.get_points_close_to_molecule(mh, points, max_dist)
1825 def get_points_far_from_molecule(mh, points, max_dist):
1826 r"""get_points_far_from_molecule(Hierarchy mh, IMP::algebra::Vector3Ds const points, IMP::Float max_dist) -> IMP::algebra::Vector3Ds"""
1827 return _IMP_multifit.get_points_far_from_molecule(mh, points, max_dist)
1829 r"""Proxy of C++ IMP::multifit::RadiusOfGyrationRestraint class."""
1831 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1833 def __init__(self, ps, num_residues, scale=1.):
1834 r"""__init__(RadiusOfGyrationRestraint self, IMP::Particles ps, int num_residues, IMP::Float scale=1.) -> RadiusOfGyrationRestraint"""
1835 _IMP_multifit.RadiusOfGyrationRestraint_swiginit(self, _IMP_multifit.new_RadiusOfGyrationRestraint(ps, num_residues, scale))
1837 def do_get_inputs(self):
1838 r"""do_get_inputs(RadiusOfGyrationRestraint self) -> IMP::ModelObjectsTemp"""
1839 return _IMP_multifit.RadiusOfGyrationRestraint_do_get_inputs(self)
1841 def get_version_info(self):
1842 r"""get_version_info(RadiusOfGyrationRestraint self) -> VersionInfo"""
1843 return _IMP_multifit.RadiusOfGyrationRestraint_get_version_info(self)
1844 __swig_destroy__ = _IMP_multifit.delete_RadiusOfGyrationRestraint
1846 def set_radius_of_gyration(self, r):
1847 r"""set_radius_of_gyration(RadiusOfGyrationRestraint self, IMP::Float r)"""
1848 return _IMP_multifit.RadiusOfGyrationRestraint_set_radius_of_gyration(self, r)
1851 r"""get_radius_of_gyration(RadiusOfGyrationRestraint self) -> IMP::Float"""
1852 return _IMP_multifit.RadiusOfGyrationRestraint_get_radius_of_gyration(self)
1855 r"""__str__(RadiusOfGyrationRestraint self) -> std::string"""
1856 return _IMP_multifit.RadiusOfGyrationRestraint___str__(self)
1859 r"""__repr__(RadiusOfGyrationRestraint self) -> std::string"""
1860 return _IMP_multifit.RadiusOfGyrationRestraint___repr__(self)
1864 return _object_cast_to_RadiusOfGyrationRestraint(o)
1868 _IMP_multifit.RadiusOfGyrationRestraint_swigregister(RadiusOfGyrationRestraint)
1870 def get_approximated_radius_of_gyration(len):
1871 r"""get_approximated_radius_of_gyration(int len) -> float"""
1872 return _IMP_multifit.get_approximated_radius_of_gyration(len)
1874 def get_actual_radius_of_gyration(ps):
1875 r"""get_actual_radius_of_gyration(IMP::ParticlesTemp ps) -> float"""
1876 return _IMP_multifit.get_actual_radius_of_gyration(ps)
1878 def get_approximated_radius(len):
1879 r"""get_approximated_radius(int len) -> float"""
1880 return _IMP_multifit.get_approximated_radius(len)
1881 class ProteinsAnchorsSamplingSpace(object):
1882 r"""Proxy of C++ IMP::multifit::ProteinsAnchorsSamplingSpace class."""
1884 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1886 def __init__(self, prots=None):
1887 r"""__init__(ProteinsAnchorsSamplingSpace self, ProteomicsData prots=None) -> ProteinsAnchorsSamplingSpace"""
1888 _IMP_multifit.ProteinsAnchorsSamplingSpace_swiginit(self, _IMP_multifit.new_ProteinsAnchorsSamplingSpace(prots))
1890 def set_anchors(self, data):
1891 r"""set_anchors(ProteinsAnchorsSamplingSpace self, AnchorsData data)"""
1892 return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_anchors(self, data)
1894 def get_anchors(self):
1895 r"""get_anchors(ProteinsAnchorsSamplingSpace self) -> AnchorsData"""
1896 return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_anchors(self)
1898 def get_anchors_filename(self):
1899 r"""get_anchors_filename(ProteinsAnchorsSamplingSpace self) -> std::string"""
1900 return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_anchors_filename(self)
1902 def set_anchors_filename(self, fn):
1903 r"""set_anchors_filename(ProteinsAnchorsSamplingSpace self, std::string const & fn)"""
1904 return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_anchors_filename(self, fn)
1906 def get_proteomics_data(self):
1907 r"""get_proteomics_data(ProteinsAnchorsSamplingSpace self) -> ProteomicsData"""
1908 return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_proteomics_data(self)
1910 def add_protein(self, rec):
1911 r"""add_protein(ProteinsAnchorsSamplingSpace self, ProteinRecordData rec)"""
1912 return _IMP_multifit.ProteinsAnchorsSamplingSpace_add_protein(self, rec)
1914 def get_paths_for_protein(self, prot_name):
1915 r"""get_paths_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name) -> IMP::IntsList"""
1916 return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_paths_for_protein(self, prot_name)
1918 def set_paths_filename_for_protein(self, prot_name, paths_filename):
1919 r"""set_paths_filename_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name, std::string const & paths_filename)"""
1920 return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_paths_filename_for_protein(self, prot_name, paths_filename)
1922 def get_paths_filename_for_protein(self, prot_name):
1923 r"""get_paths_filename_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name) -> std::string"""
1924 return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_paths_filename_for_protein(self, prot_name)
1926 def set_paths_for_protein(self, prot_name, paths):
1927 r"""set_paths_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name, IMP::IntsList paths)"""
1928 return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_paths_for_protein(self, prot_name, paths)
1930 def show(self, *args):
1931 r"""show(ProteinsAnchorsSamplingSpace self, _ostream s=std::cout)"""
1932 return _IMP_multifit.ProteinsAnchorsSamplingSpace_show(self, *args)
1935 r"""__str__(ProteinsAnchorsSamplingSpace self) -> std::string"""
1936 return _IMP_multifit.ProteinsAnchorsSamplingSpace___str__(self)
1939 r"""__repr__(ProteinsAnchorsSamplingSpace self) -> std::string"""
1940 return _IMP_multifit.ProteinsAnchorsSamplingSpace___repr__(self)
1941 __swig_destroy__ = _IMP_multifit.delete_ProteinsAnchorsSamplingSpace
1944 _IMP_multifit.ProteinsAnchorsSamplingSpace_swigregister(ProteinsAnchorsSamplingSpace)
1946 def read_protein_anchors_mapping(*args):
1947 r"""read_protein_anchors_mapping(ProteomicsData prots, std::string const & anchors_prot_map_fn, int max_paths=INT_MAX) -> ProteinsAnchorsSamplingSpace"""
1948 return _IMP_multifit.read_protein_anchors_mapping(*args)
1950 def write_protein_anchors_mapping(*args):
1952 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)
1953 write_protein_anchors_mapping(std::string const & anchors_prot_map_fn, ProteinsAnchorsSamplingSpace pa, IMP::Strings const & prot_names)
1955 return _IMP_multifit.write_protein_anchors_mapping(*args)
1958 r"""get_part_of_sampling_space(ProteinsAnchorsSamplingSpace prots_ss, IMP::Strings const & prot_names) -> ProteinsAnchorsSamplingSpace"""
1959 return _IMP_multifit.get_part_of_sampling_space(prots_ss, prot_names)
1962 r"""get_partial_assembly_setting_data(SettingsData prots_sd, IMP::Strings const & prot_names) -> SettingsData"""
1963 return _IMP_multifit.get_partial_assembly_setting_data(prots_sd, prot_names)
1966 r"""read_paths(char const * txt_filename, int max_paths=INT_MAX) -> IMP::IntsList"""
1967 return _IMP_multifit.read_paths(*args)
1969 def write_paths(paths, txt_filename):
1970 r"""write_paths(IMP::IntsList const & paths, std::string const & txt_filename)"""
1971 return _IMP_multifit.write_paths(paths, txt_filename)
1973 def molecule2anchors(mh, k):
1974 r"""molecule2anchors(Hierarchy mh, int k) -> AnchorsData"""
1975 return _IMP_multifit.molecule2anchors(mh, k)
1977 def get_anchors_for_density(dmap, number_of_means, density_threshold, pdb_filename, cmm_filename, seg_filename, txt_filename):
1978 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)"""
1979 return _IMP_multifit.get_anchors_for_density(dmap, number_of_means, density_threshold, pdb_filename, cmm_filename, seg_filename, txt_filename)
1982 r"""get_anchor_indices_matching_secondary_structure(AnchorsData ad, IMP::atom::SecondaryStructureResidues const & ssrs, IMP::Float max_rmsd=0.7) -> IMP::IntsList"""
1983 return _IMP_multifit.get_anchor_indices_matching_secondary_structure(ad, ssrs, max_rmsd)
1984 class DominoParams(object):
1985 r"""Proxy of C++ IMP::multifit::DominoParams class."""
1987 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
1990 r"""__init__(DominoParams self) -> DominoParams"""
1991 _IMP_multifit.DominoParams_swiginit(self, _IMP_multifit.new_DominoParams())
1994 r"""add(DominoParams self, boost::property_tree::ptree const & pt)"""
1995 return _IMP_multifit.DominoParams_add(self, pt)
1997 def show(self, *args):
1998 r"""show(DominoParams self, _ostream s=std::cout)"""
1999 return _IMP_multifit.DominoParams_show(self, *args)
2000 max_value_threshold_ = property(_IMP_multifit.DominoParams_max_value_threshold__get, _IMP_multifit.DominoParams_max_value_threshold__set, doc=
r"""max_value_threshold_ : float""")
2001 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""")
2002 max_anchor_penetration_ = property(_IMP_multifit.DominoParams_max_anchor_penetration__get, _IMP_multifit.DominoParams_max_anchor_penetration__set, doc=
r"""max_anchor_penetration_ : float""")
2003 heap_size_ = property(_IMP_multifit.DominoParams_heap_size__get, _IMP_multifit.DominoParams_heap_size__set, doc=
r"""heap_size_ : int""")
2004 cache_size_ = property(_IMP_multifit.DominoParams_cache_size__get, _IMP_multifit.DominoParams_cache_size__set, doc=
r"""cache_size_ : int""")
2007 r"""__str__(DominoParams self) -> std::string"""
2008 return _IMP_multifit.DominoParams___str__(self)
2011 r"""__repr__(DominoParams self) -> std::string"""
2012 return _IMP_multifit.DominoParams___repr__(self)
2014 def _get_as_binary(self):
2015 r"""_get_as_binary(DominoParams self) -> PyObject *"""
2016 return _IMP_multifit.DominoParams__get_as_binary(self)
2018 def _set_from_binary(self, p):
2019 r"""_set_from_binary(DominoParams self, PyObject * p)"""
2020 return _IMP_multifit.DominoParams__set_from_binary(self, p)
2022 def __getstate__(self):
2023 p = self._get_as_binary()
2024 if len(self.__dict__) > 1:
2025 d = self.__dict__.copy()
2030 def __setstate__(self, p):
2031 if not hasattr(self,
'this'):
2033 if isinstance(p, tuple):
2035 self.__dict__.update(d)
2036 return self._set_from_binary(p)
2038 __swig_destroy__ = _IMP_multifit.delete_DominoParams
2041 _IMP_multifit.DominoParams_swigregister(DominoParams)
2042 class XlinkParams(object):
2043 r"""Proxy of C++ IMP::multifit::XlinkParams class."""
2045 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2048 r"""__init__(XlinkParams self) -> XlinkParams"""
2049 _IMP_multifit.XlinkParams_swiginit(self, _IMP_multifit.new_XlinkParams())
2052 r"""add(XlinkParams self, boost::property_tree::ptree const & pt)"""
2053 return _IMP_multifit.XlinkParams_add(self, pt)
2055 def show(self, *args):
2056 r"""show(XlinkParams self, _ostream s=std::cout)"""
2057 return _IMP_multifit.XlinkParams_show(self, *args)
2058 upper_bound_ = property(_IMP_multifit.XlinkParams_upper_bound__get, _IMP_multifit.XlinkParams_upper_bound__set, doc=
r"""upper_bound_ : float""")
2059 k_ = property(_IMP_multifit.XlinkParams_k__get, _IMP_multifit.XlinkParams_k__set, doc=
r"""k_ : float""")
2060 max_xlink_val_ = property(_IMP_multifit.XlinkParams_max_xlink_val__get, _IMP_multifit.XlinkParams_max_xlink_val__set, doc=
r"""max_xlink_val_ : float""")
2061 treat_between_residues_ = property(_IMP_multifit.XlinkParams_treat_between_residues__get, _IMP_multifit.XlinkParams_treat_between_residues__set, doc=
r"""treat_between_residues_ : bool""")
2064 r"""__str__(XlinkParams self) -> std::string"""
2065 return _IMP_multifit.XlinkParams___str__(self)
2068 r"""__repr__(XlinkParams self) -> std::string"""
2069 return _IMP_multifit.XlinkParams___repr__(self)
2071 def _get_as_binary(self):
2072 r"""_get_as_binary(XlinkParams self) -> PyObject *"""
2073 return _IMP_multifit.XlinkParams__get_as_binary(self)
2075 def _set_from_binary(self, p):
2076 r"""_set_from_binary(XlinkParams self, PyObject * p)"""
2077 return _IMP_multifit.XlinkParams__set_from_binary(self, p)
2079 def __getstate__(self):
2080 p = self._get_as_binary()
2081 if len(self.__dict__) > 1:
2082 d = self.__dict__.copy()
2087 def __setstate__(self, p):
2088 if not hasattr(self,
'this'):
2090 if isinstance(p, tuple):
2092 self.__dict__.update(d)
2093 return self._set_from_binary(p)
2095 __swig_destroy__ = _IMP_multifit.delete_XlinkParams
2098 _IMP_multifit.XlinkParams_swigregister(XlinkParams)
2099 class ConnectivityParams(object):
2100 r"""Proxy of C++ IMP::multifit::ConnectivityParams class."""
2102 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2105 r"""__init__(ConnectivityParams self) -> ConnectivityParams"""
2106 _IMP_multifit.ConnectivityParams_swiginit(self, _IMP_multifit.new_ConnectivityParams())
2109 r"""add(ConnectivityParams self, boost::property_tree::ptree const & pt)"""
2110 return _IMP_multifit.ConnectivityParams_add(self, pt)
2112 def show(self, *args):
2113 r"""show(ConnectivityParams self, _ostream s=std::cout)"""
2114 return _IMP_multifit.ConnectivityParams_show(self, *args)
2115 upper_bound_ = property(_IMP_multifit.ConnectivityParams_upper_bound__get, _IMP_multifit.ConnectivityParams_upper_bound__set, doc=
r"""upper_bound_ : float""")
2116 k_ = property(_IMP_multifit.ConnectivityParams_k__get, _IMP_multifit.ConnectivityParams_k__set, doc=
r"""k_ : float""")
2117 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""")
2120 r"""__str__(ConnectivityParams self) -> std::string"""
2121 return _IMP_multifit.ConnectivityParams___str__(self)
2124 r"""__repr__(ConnectivityParams self) -> std::string"""
2125 return _IMP_multifit.ConnectivityParams___repr__(self)
2127 def _get_as_binary(self):
2128 r"""_get_as_binary(ConnectivityParams self) -> PyObject *"""
2129 return _IMP_multifit.ConnectivityParams__get_as_binary(self)
2131 def _set_from_binary(self, p):
2132 r"""_set_from_binary(ConnectivityParams self, PyObject * p)"""
2133 return _IMP_multifit.ConnectivityParams__set_from_binary(self, p)
2135 def __getstate__(self):
2136 p = self._get_as_binary()
2137 if len(self.__dict__) > 1:
2138 d = self.__dict__.copy()
2143 def __setstate__(self, p):
2144 if not hasattr(self,
'this'):
2146 if isinstance(p, tuple):
2148 self.__dict__.update(d)
2149 return self._set_from_binary(p)
2151 __swig_destroy__ = _IMP_multifit.delete_ConnectivityParams
2154 _IMP_multifit.ConnectivityParams_swigregister(ConnectivityParams)
2155 class FragmentsParams(object):
2156 r"""Proxy of C++ IMP::multifit::FragmentsParams class."""
2158 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2161 r"""__init__(FragmentsParams self) -> FragmentsParams"""
2162 _IMP_multifit.FragmentsParams_swiginit(self, _IMP_multifit.new_FragmentsParams())
2165 r"""add(FragmentsParams self, boost::property_tree::ptree const & pt)"""
2166 return _IMP_multifit.FragmentsParams_add(self, pt)
2168 def show(self, *args):
2169 r"""show(FragmentsParams self, _ostream s=std::cout)"""
2170 return _IMP_multifit.FragmentsParams_show(self, *args)
2171 frag_len_ = property(_IMP_multifit.FragmentsParams_frag_len__get, _IMP_multifit.FragmentsParams_frag_len__set, doc=
r"""frag_len_ : int""")
2172 bead_radius_scale_ = property(_IMP_multifit.FragmentsParams_bead_radius_scale__get, _IMP_multifit.FragmentsParams_bead_radius_scale__set, doc=
r"""bead_radius_scale_ : float""")
2173 load_atomic_ = property(_IMP_multifit.FragmentsParams_load_atomic__get, _IMP_multifit.FragmentsParams_load_atomic__set, doc=
r"""load_atomic_ : bool""")
2174 subunit_rigid_ = property(_IMP_multifit.FragmentsParams_subunit_rigid__get, _IMP_multifit.FragmentsParams_subunit_rigid__set, doc=
r"""subunit_rigid_ : bool""")
2177 r"""__str__(FragmentsParams self) -> std::string"""
2178 return _IMP_multifit.FragmentsParams___str__(self)
2181 r"""__repr__(FragmentsParams self) -> std::string"""
2182 return _IMP_multifit.FragmentsParams___repr__(self)
2184 def _get_as_binary(self):
2185 r"""_get_as_binary(FragmentsParams self) -> PyObject *"""
2186 return _IMP_multifit.FragmentsParams__get_as_binary(self)
2188 def _set_from_binary(self, p):
2189 r"""_set_from_binary(FragmentsParams self, PyObject * p)"""
2190 return _IMP_multifit.FragmentsParams__set_from_binary(self, p)
2192 def __getstate__(self):
2193 p = self._get_as_binary()
2194 if len(self.__dict__) > 1:
2195 d = self.__dict__.copy()
2200 def __setstate__(self, p):
2201 if not hasattr(self,
'this'):
2203 if isinstance(p, tuple):
2205 self.__dict__.update(d)
2206 return self._set_from_binary(p)
2208 __swig_destroy__ = _IMP_multifit.delete_FragmentsParams
2211 _IMP_multifit.FragmentsParams_swigregister(FragmentsParams)
2212 class RogParams(object):
2213 r"""Proxy of C++ IMP::multifit::RogParams class."""
2215 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2218 r"""__init__(RogParams self) -> RogParams"""
2219 _IMP_multifit.RogParams_swiginit(self, _IMP_multifit.new_RogParams())
2222 r"""add(RogParams self, boost::property_tree::ptree const & pt)"""
2223 return _IMP_multifit.RogParams_add(self, pt)
2225 def get_max_score(self):
2226 r"""get_max_score(RogParams self) -> float"""
2227 return _IMP_multifit.RogParams_get_max_score(self)
2229 def get_scale(self):
2230 r"""get_scale(RogParams self) -> float"""
2231 return _IMP_multifit.RogParams_get_scale(self)
2233 def show(self, *args):
2234 r"""show(RogParams self, _ostream s=std::cout)"""
2235 return _IMP_multifit.RogParams_show(self, *args)
2238 r"""__str__(RogParams self) -> std::string"""
2239 return _IMP_multifit.RogParams___str__(self)
2242 r"""__repr__(RogParams self) -> std::string"""
2243 return _IMP_multifit.RogParams___repr__(self)
2245 def _get_as_binary(self):
2246 r"""_get_as_binary(RogParams self) -> PyObject *"""
2247 return _IMP_multifit.RogParams__get_as_binary(self)
2249 def _set_from_binary(self, p):
2250 r"""_set_from_binary(RogParams self, PyObject * p)"""
2251 return _IMP_multifit.RogParams__set_from_binary(self, p)
2253 def __getstate__(self):
2254 p = self._get_as_binary()
2255 if len(self.__dict__) > 1:
2256 d = self.__dict__.copy()
2261 def __setstate__(self, p):
2262 if not hasattr(self,
'this'):
2264 if isinstance(p, tuple):
2266 self.__dict__.update(d)
2267 return self._set_from_binary(p)
2269 __swig_destroy__ = _IMP_multifit.delete_RogParams
2272 _IMP_multifit.RogParams_swigregister(RogParams)
2273 class EVParams(object):
2274 r"""Proxy of C++ IMP::multifit::EVParams class."""
2276 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2279 r"""__init__(EVParams self) -> EVParams"""
2280 _IMP_multifit.EVParams_swiginit(self, _IMP_multifit.new_EVParams())
2283 r"""add(EVParams self, boost::property_tree::ptree const & pt)"""
2284 return _IMP_multifit.EVParams_add(self, pt)
2286 def show(self, *args):
2287 r"""show(EVParams self, _ostream s=std::cout)"""
2288 return _IMP_multifit.EVParams_show(self, *args)
2289 pair_distance_ = property(_IMP_multifit.EVParams_pair_distance__get, _IMP_multifit.EVParams_pair_distance__set, doc=
r"""pair_distance_ : float""")
2290 pair_slack_ = property(_IMP_multifit.EVParams_pair_slack__get, _IMP_multifit.EVParams_pair_slack__set, doc=
r"""pair_slack_ : float""")
2291 hlb_mean_ = property(_IMP_multifit.EVParams_hlb_mean__get, _IMP_multifit.EVParams_hlb_mean__set, doc=
r"""hlb_mean_ : float""")
2292 hlb_k_ = property(_IMP_multifit.EVParams_hlb_k__get, _IMP_multifit.EVParams_hlb_k__set, doc=
r"""hlb_k_ : float""")
2293 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""")
2294 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""")
2295 scoring_mode_ = property(_IMP_multifit.EVParams_scoring_mode__get, _IMP_multifit.EVParams_scoring_mode__set, doc=
r"""scoring_mode_ : int""")
2298 r"""__str__(EVParams self) -> std::string"""
2299 return _IMP_multifit.EVParams___str__(self)
2302 r"""__repr__(EVParams self) -> std::string"""
2303 return _IMP_multifit.EVParams___repr__(self)
2305 def _get_as_binary(self):
2306 r"""_get_as_binary(EVParams self) -> PyObject *"""
2307 return _IMP_multifit.EVParams__get_as_binary(self)
2309 def _set_from_binary(self, p):
2310 r"""_set_from_binary(EVParams self, PyObject * p)"""
2311 return _IMP_multifit.EVParams__set_from_binary(self, p)
2313 def __getstate__(self):
2314 p = self._get_as_binary()
2315 if len(self.__dict__) > 1:
2316 d = self.__dict__.copy()
2321 def __setstate__(self, p):
2322 if not hasattr(self,
'this'):
2324 if isinstance(p, tuple):
2326 self.__dict__.update(d)
2327 return self._set_from_binary(p)
2329 __swig_destroy__ = _IMP_multifit.delete_EVParams
2332 _IMP_multifit.EVParams_swigregister(EVParams)
2333 class FiltersParams(object):
2334 r"""Proxy of C++ IMP::multifit::FiltersParams class."""
2336 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2339 r"""__init__(FiltersParams self) -> FiltersParams"""
2340 _IMP_multifit.FiltersParams_swiginit(self, _IMP_multifit.new_FiltersParams())
2343 r"""add(FiltersParams self, boost::property_tree::ptree const & pt)"""
2344 return _IMP_multifit.FiltersParams_add(self, pt)
2346 def show(self, *args):
2347 r"""show(FiltersParams self, _ostream s=std::cout)"""
2348 return _IMP_multifit.FiltersParams_show(self, *args)
2349 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""")
2350 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""")
2351 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""")
2354 r"""__str__(FiltersParams self) -> std::string"""
2355 return _IMP_multifit.FiltersParams___str__(self)
2358 r"""__repr__(FiltersParams self) -> std::string"""
2359 return _IMP_multifit.FiltersParams___repr__(self)
2361 def _get_as_binary(self):
2362 r"""_get_as_binary(FiltersParams self) -> PyObject *"""
2363 return _IMP_multifit.FiltersParams__get_as_binary(self)
2365 def _set_from_binary(self, p):
2366 r"""_set_from_binary(FiltersParams self, PyObject * p)"""
2367 return _IMP_multifit.FiltersParams__set_from_binary(self, p)
2369 def __getstate__(self):
2370 p = self._get_as_binary()
2371 if len(self.__dict__) > 1:
2372 d = self.__dict__.copy()
2377 def __setstate__(self, p):
2378 if not hasattr(self,
'this'):
2380 if isinstance(p, tuple):
2382 self.__dict__.update(d)
2383 return self._set_from_binary(p)
2385 __swig_destroy__ = _IMP_multifit.delete_FiltersParams
2388 _IMP_multifit.FiltersParams_swigregister(FiltersParams)
2389 class FittingParams(object):
2390 r"""Proxy of C++ IMP::multifit::FittingParams class."""
2392 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2395 r"""__init__(FittingParams self) -> FittingParams"""
2396 _IMP_multifit.FittingParams_swiginit(self, _IMP_multifit.new_FittingParams())
2399 r"""add(FittingParams self, boost::property_tree::ptree const & pt)"""
2400 return _IMP_multifit.FittingParams_add(self, pt)
2402 def show(self, *args):
2403 r"""show(FittingParams self, _ostream s=std::cout)"""
2404 return _IMP_multifit.FittingParams_show(self, *args)
2405 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""")
2406 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""")
2407 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""")
2408 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""")
2411 r"""__str__(FittingParams self) -> std::string"""
2412 return _IMP_multifit.FittingParams___str__(self)
2415 r"""__repr__(FittingParams self) -> std::string"""
2416 return _IMP_multifit.FittingParams___repr__(self)
2418 def _get_as_binary(self):
2419 r"""_get_as_binary(FittingParams self) -> PyObject *"""
2420 return _IMP_multifit.FittingParams__get_as_binary(self)
2422 def _set_from_binary(self, p):
2423 r"""_set_from_binary(FittingParams self, PyObject * p)"""
2424 return _IMP_multifit.FittingParams__set_from_binary(self, p)
2426 def __getstate__(self):
2427 p = self._get_as_binary()
2428 if len(self.__dict__) > 1:
2429 d = self.__dict__.copy()
2434 def __setstate__(self, p):
2435 if not hasattr(self,
'this'):
2437 if isinstance(p, tuple):
2439 self.__dict__.update(d)
2440 return self._set_from_binary(p)
2442 __swig_destroy__ = _IMP_multifit.delete_FittingParams
2445 _IMP_multifit.FittingParams_swigregister(FittingParams)
2446 class ComplementarityParams(object):
2447 r"""Proxy of C++ IMP::multifit::ComplementarityParams class."""
2449 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2452 r"""__init__(ComplementarityParams self) -> ComplementarityParams"""
2453 _IMP_multifit.ComplementarityParams_swiginit(self, _IMP_multifit.new_ComplementarityParams())
2456 r"""add(ComplementarityParams self, boost::property_tree::ptree const & pt)"""
2457 return _IMP_multifit.ComplementarityParams_add(self, pt)
2459 def show(self, *args):
2460 r"""show(ComplementarityParams self, _ostream s=std::cout)"""
2461 return _IMP_multifit.ComplementarityParams_show(self, *args)
2462 max_score_ = property(_IMP_multifit.ComplementarityParams_max_score__get, _IMP_multifit.ComplementarityParams_max_score__set, doc=
r"""max_score_ : float""")
2463 max_penetration_ = property(_IMP_multifit.ComplementarityParams_max_penetration__get, _IMP_multifit.ComplementarityParams_max_penetration__set, doc=
r"""max_penetration_ : float""")
2464 interior_layer_thickness_ = property(_IMP_multifit.ComplementarityParams_interior_layer_thickness__get, _IMP_multifit.ComplementarityParams_interior_layer_thickness__set, doc=
r"""interior_layer_thickness_ : float""")
2465 boundary_coef_ = property(_IMP_multifit.ComplementarityParams_boundary_coef__get, _IMP_multifit.ComplementarityParams_boundary_coef__set, doc=
r"""boundary_coef_ : float""")
2466 comp_coef_ = property(_IMP_multifit.ComplementarityParams_comp_coef__get, _IMP_multifit.ComplementarityParams_comp_coef__set, doc=
r"""comp_coef_ : float""")
2467 penetration_coef_ = property(_IMP_multifit.ComplementarityParams_penetration_coef__get, _IMP_multifit.ComplementarityParams_penetration_coef__set, doc=
r"""penetration_coef_ : float""")
2470 r"""__str__(ComplementarityParams self) -> std::string"""
2471 return _IMP_multifit.ComplementarityParams___str__(self)
2474 r"""__repr__(ComplementarityParams self) -> std::string"""
2475 return _IMP_multifit.ComplementarityParams___repr__(self)
2477 def _get_as_binary(self):
2478 r"""_get_as_binary(ComplementarityParams self) -> PyObject *"""
2479 return _IMP_multifit.ComplementarityParams__get_as_binary(self)
2481 def _set_from_binary(self, p):
2482 r"""_set_from_binary(ComplementarityParams self, PyObject * p)"""
2483 return _IMP_multifit.ComplementarityParams__set_from_binary(self, p)
2485 def __getstate__(self):
2486 p = self._get_as_binary()
2487 if len(self.__dict__) > 1:
2488 d = self.__dict__.copy()
2493 def __setstate__(self, p):
2494 if not hasattr(self,
'this'):
2496 if isinstance(p, tuple):
2498 self.__dict__.update(d)
2499 return self._set_from_binary(p)
2501 __swig_destroy__ = _IMP_multifit.delete_ComplementarityParams
2504 _IMP_multifit.ComplementarityParams_swigregister(ComplementarityParams)
2505 class AlignmentParams(object):
2506 r"""Proxy of C++ IMP::multifit::AlignmentParams class."""
2508 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2510 def __init__(self, *args):
2512 __init__(AlignmentParams self) -> AlignmentParams
2513 __init__(AlignmentParams self, char const * param_filename) -> AlignmentParams
2515 _IMP_multifit.AlignmentParams_swiginit(self, _IMP_multifit.new_AlignmentParams(*args))
2517 def get_domino_params(self):
2518 r"""get_domino_params(AlignmentParams self) -> DominoParams"""
2519 return _IMP_multifit.AlignmentParams_get_domino_params(self)
2521 def get_fitting_params(self):
2522 r"""get_fitting_params(AlignmentParams self) -> FittingParams"""
2523 return _IMP_multifit.AlignmentParams_get_fitting_params(self)
2525 def get_complementarity_params(self):
2526 r"""get_complementarity_params(AlignmentParams self) -> ComplementarityParams"""
2527 return _IMP_multifit.AlignmentParams_get_complementarity_params(self)
2529 def get_xlink_params(self):
2530 r"""get_xlink_params(AlignmentParams self) -> XlinkParams"""
2531 return _IMP_multifit.AlignmentParams_get_xlink_params(self)
2533 def get_connectivity_params(self):
2534 r"""get_connectivity_params(AlignmentParams self) -> ConnectivityParams"""
2535 return _IMP_multifit.AlignmentParams_get_connectivity_params(self)
2537 def get_rog_params(self):
2538 r"""get_rog_params(AlignmentParams self) -> RogParams"""
2539 return _IMP_multifit.AlignmentParams_get_rog_params(self)
2541 def get_fragments_params(self):
2542 r"""get_fragments_params(AlignmentParams self) -> FragmentsParams"""
2543 return _IMP_multifit.AlignmentParams_get_fragments_params(self)
2545 def get_filters_params(self):
2546 r"""get_filters_params(AlignmentParams self) -> FiltersParams"""
2547 return _IMP_multifit.AlignmentParams_get_filters_params(self)
2549 def get_ev_params(self):
2550 r"""get_ev_params(AlignmentParams self) -> EVParams"""
2551 return _IMP_multifit.AlignmentParams_get_ev_params(self)
2553 def show(self, *args):
2554 r"""show(AlignmentParams self, _ostream s=std::cout)"""
2555 return _IMP_multifit.AlignmentParams_show(self, *args)
2558 r"""__str__(AlignmentParams self) -> std::string"""
2559 return _IMP_multifit.AlignmentParams___str__(self)
2562 r"""__repr__(AlignmentParams self) -> std::string"""
2563 return _IMP_multifit.AlignmentParams___repr__(self)
2565 def _get_as_binary(self):
2566 r"""_get_as_binary(AlignmentParams self) -> PyObject *"""
2567 return _IMP_multifit.AlignmentParams__get_as_binary(self)
2569 def _set_from_binary(self, p):
2570 r"""_set_from_binary(AlignmentParams self, PyObject * p)"""
2571 return _IMP_multifit.AlignmentParams__set_from_binary(self, p)
2573 def __getstate__(self):
2574 p = self._get_as_binary()
2575 if len(self.__dict__) > 1:
2576 d = self.__dict__.copy()
2581 def __setstate__(self, p):
2582 if not hasattr(self,
'this'):
2584 if isinstance(p, tuple):
2586 self.__dict__.update(d)
2587 return self._set_from_binary(p)
2589 __swig_destroy__ = _IMP_multifit.delete_AlignmentParams
2592 _IMP_multifit.AlignmentParams_swigregister(AlignmentParams)
2593 class ProteomicsEMAlignmentAtomic(
IMP.Object):
2594 r"""Proxy of C++ IMP::multifit::ProteomicsEMAlignmentAtomic class."""
2596 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2598 def __init__(self, mapping_data, asmb_data, align_param):
2599 r"""__init__(ProteomicsEMAlignmentAtomic self, ProteinsAnchorsSamplingSpace mapping_data, SettingsData asmb_data, AlignmentParams align_param) -> ProteomicsEMAlignmentAtomic"""
2600 _IMP_multifit.ProteomicsEMAlignmentAtomic_swiginit(self, _IMP_multifit.new_ProteomicsEMAlignmentAtomic(mapping_data, asmb_data, align_param))
2603 r"""align(ProteomicsEMAlignmentAtomic self)"""
2604 return _IMP_multifit.ProteomicsEMAlignmentAtomic_align(self)
2606 def add_all_restraints(self):
2607 r"""add_all_restraints(ProteomicsEMAlignmentAtomic self)"""
2608 return _IMP_multifit.ProteomicsEMAlignmentAtomic_add_all_restraints(self)
2610 def get_restraint_set(self):
2611 r"""get_restraint_set(ProteomicsEMAlignmentAtomic self) -> RestraintSet"""
2612 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_restraint_set(self)
2614 def add_states_and_filters(self):
2615 r"""add_states_and_filters(ProteomicsEMAlignmentAtomic self)"""
2616 return _IMP_multifit.ProteomicsEMAlignmentAtomic_add_states_and_filters(self)
2618 def show_domino_merge_tree(self):
2619 r"""show_domino_merge_tree(ProteomicsEMAlignmentAtomic self)"""
2620 return _IMP_multifit.ProteomicsEMAlignmentAtomic_show_domino_merge_tree(self)
2622 def get_combinations(self, uniques=False):
2623 r"""get_combinations(ProteomicsEMAlignmentAtomic self, bool uniques=False) -> IMP::domino::Assignments"""
2624 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_combinations(self, uniques)
2626 def set_density_map(self, dmap, threshold):
2627 r"""set_density_map(ProteomicsEMAlignmentAtomic self, DensityMap dmap, float threshold)"""
2628 return _IMP_multifit.ProteomicsEMAlignmentAtomic_set_density_map(self, dmap, threshold)
2630 def get_molecules(self):
2631 r"""get_molecules(ProteomicsEMAlignmentAtomic self) -> IMP::atom::Hierarchies"""
2632 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_molecules(self)
2634 def get_rigid_bodies(self):
2635 r"""get_rigid_bodies(ProteomicsEMAlignmentAtomic self) -> IMP::core::RigidBodies"""
2636 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_rigid_bodies(self)
2638 def load_combination_of_states(self, state4particles):
2639 r"""load_combination_of_states(ProteomicsEMAlignmentAtomic self, IMP::Ints const & state4particles)"""
2640 return _IMP_multifit.ProteomicsEMAlignmentAtomic_load_combination_of_states(self, state4particles)
2642 def show_scores_header(self, *args):
2643 r"""show_scores_header(ProteomicsEMAlignmentAtomic self, _ostream ous=std::cout)"""
2644 return _IMP_multifit.ProteomicsEMAlignmentAtomic_show_scores_header(self, *args)
2646 def get_model(self):
2647 r"""get_model(ProteomicsEMAlignmentAtomic self) -> Model"""
2648 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_model(self)
2650 def set_fast_scoring(self, state):
2651 r"""set_fast_scoring(ProteomicsEMAlignmentAtomic self, bool state)"""
2652 return _IMP_multifit.ProteomicsEMAlignmentAtomic_set_fast_scoring(self, state)
2654 def get_version_info(self):
2655 r"""get_version_info(ProteomicsEMAlignmentAtomic self) -> VersionInfo"""
2656 return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_version_info(self)
2657 __swig_destroy__ = _IMP_multifit.delete_ProteomicsEMAlignmentAtomic
2660 r"""__str__(ProteomicsEMAlignmentAtomic self) -> std::string"""
2661 return _IMP_multifit.ProteomicsEMAlignmentAtomic___str__(self)
2664 r"""__repr__(ProteomicsEMAlignmentAtomic self) -> std::string"""
2665 return _IMP_multifit.ProteomicsEMAlignmentAtomic___repr__(self)
2669 return _object_cast_to_ProteomicsEMAlignmentAtomic(o)
2673 _IMP_multifit.ProteomicsEMAlignmentAtomic_swigregister(ProteomicsEMAlignmentAtomic)
2676 r"""write_connolly_surface(IMP::atom::Atoms atoms, TextOutput fn, float density, float probe_radius)"""
2677 return _IMP_multifit.write_connolly_surface(atoms, fn, density, probe_radius)
2679 r"""Proxy of C++ IMP::multifit::Ensemble class."""
2681 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2683 def load_combination(self, fit_comb):
2684 r"""load_combination(Ensemble self, IMP::Ints fit_comb)"""
2685 return _IMP_multifit.Ensemble_load_combination(self, fit_comb)
2687 def unload_combination(self, fit_comb):
2688 r"""unload_combination(Ensemble self, IMP::Ints fit_comb)"""
2689 return _IMP_multifit.Ensemble_unload_combination(self, fit_comb)
2691 def add_component_and_fits(self, mh, fits):
2692 r"""add_component_and_fits(Ensemble self, Hierarchy mh, IMP::multifit::FittingSolutionRecords const & fits)"""
2693 return _IMP_multifit.Ensemble_add_component_and_fits(self, mh, fits)
2695 def get_molecules(self):
2696 r"""get_molecules(Ensemble self) -> IMP::atom::Hierarchies"""
2697 return _IMP_multifit.Ensemble_get_molecules(self)
2699 def get_rigid_bodies(self):
2700 r"""get_rigid_bodies(Ensemble self) -> IMP::core::RigidBodies"""
2701 return _IMP_multifit.Ensemble_get_rigid_bodies(self)
2704 r"""get_rmsd(Ensemble self, IMP::core::XYZs const & second_xyz) -> float"""
2705 return _IMP_multifit.Ensemble_get_rmsd(self, second_xyz)
2707 def __init__(self, sd, mapping_data):
2708 r"""__init__(Ensemble self, SettingsData sd, ProteinsAnchorsSamplingSpace mapping_data) -> Ensemble"""
2709 _IMP_multifit.Ensemble_swiginit(self, _IMP_multifit.new_Ensemble(sd, mapping_data))
2711 def score_by_restraints(self, rs, combinations):
2712 r"""score_by_restraints(Ensemble self, IMP::Restraints rs, IMP::IntsList const & combinations) -> std::vector< IMP::Floats,std::allocator< IMP::Floats > >"""
2713 return _IMP_multifit.Ensemble_score_by_restraints(self, rs, combinations)
2715 def get_version_info(self):
2716 r"""get_version_info(Ensemble self) -> VersionInfo"""
2717 return _IMP_multifit.Ensemble_get_version_info(self)
2718 __swig_destroy__ = _IMP_multifit.delete_Ensemble
2721 r"""__str__(Ensemble self) -> std::string"""
2722 return _IMP_multifit.Ensemble___str__(self)
2725 r"""__repr__(Ensemble self) -> std::string"""
2726 return _IMP_multifit.Ensemble___repr__(self)
2730 return _object_cast_to_Ensemble(o)
2734 _IMP_multifit.Ensemble_swigregister(Ensemble)
2736 def load_ensemble(sd, mdl, mapping_data):
2737 r"""load_ensemble(SettingsData sd, Model mdl, ProteinsAnchorsSamplingSpace mapping_data) -> Ensemble"""
2738 return _IMP_multifit.load_ensemble(sd, mdl, mapping_data)
2740 r"""Proxy of C++ IMP::multifit::RigidLeavesRefiner class."""
2742 thisown = property(
lambda x: x.this.own(),
lambda x, v: x.this.own(v), doc=
"The membership flag")
2744 def __init__(self, *args):
2745 r"""__init__(RigidLeavesRefiner self, std::string name="RigidLeavesRefiner%d") -> RigidLeavesRefiner"""
2746 _IMP_multifit.RigidLeavesRefiner_swiginit(self, _IMP_multifit.new_RigidLeavesRefiner(*args))
2748 def do_get_inputs(self, m, pis):
2749 r"""do_get_inputs(RigidLeavesRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
2750 return _IMP_multifit.RigidLeavesRefiner_do_get_inputs(self, m, pis)
2752 def get_version_info(self):
2753 r"""get_version_info(RigidLeavesRefiner self) -> VersionInfo"""
2754 return _IMP_multifit.RigidLeavesRefiner_get_version_info(self)
2755 __swig_destroy__ = _IMP_multifit.delete_RigidLeavesRefiner
2758 r"""__str__(RigidLeavesRefiner self) -> std::string"""
2759 return _IMP_multifit.RigidLeavesRefiner___str__(self)
2762 r"""__repr__(RigidLeavesRefiner self) -> std::string"""
2763 return _IMP_multifit.RigidLeavesRefiner___repr__(self)
2767 return _object_cast_to_RigidLeavesRefiner(o)
2771 _IMP_multifit.RigidLeavesRefiner_swigregister(RigidLeavesRefiner)
2773 _all_commands = [
"param",
"anchors",
"fit_fft",
"cluster",
"add_fit_rmsd",
2774 "indexes",
"proteomics",
"align",
"models",
"transforms",
2775 "score",
"merge_tree",
"reference",
"refine_fft",
"segment"]
2779 r"""get_module_name() -> std::string const"""
2780 return _IMP_multifit.get_module_name()
2783 r"""get_module_version() -> std::string const"""
2784 return _IMP_multifit.get_module_version()
2787 r"""get_example_path(std::string fname) -> std::string"""
2788 return _IMP_multifit.get_example_path(fname)
2791 r"""get_data_path(std::string fname) -> std::string"""
2792 return _IMP_multifit.get_data_path(fname)
2794 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)
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)
double get_radius_of_gyration(const Vector3Ds &ps)
Return the radius of gyration of a set of points.
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.