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IMP Reference Guide  develop.345e71cb9a,2026/08/10
The Integrative Modeling Platform
multifit/__init__.py
1 # This file was automatically generated by SWIG (https://www.swig.org).
2 # Version 4.5.0
3 #
4 # Do not make changes to this file unless you know what you are doing - modify
5 # the SWIG interface file instead.
6 
7 
8 # This wrapper is part of IMP,
9 # Copyright 2007-2026 IMP Inventors. All rights reserved.
10 
11 
12 
13 
14 import typing
15 import _IMP_multifit
16 
17 import builtins as __builtin__
18 
19 def _swig_repr(self):
20  try:
21  strthis = "proxy of " + self.this.__repr__()
22  except __builtin__.Exception:
23  strthis = ""
24  return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
25 
26 
27 def _swig_setattr_nondynamic_instance_variable(set):
28  def set_instance_attr(self, name, value):
29  if name == "this":
30  set(self, name, value)
31  elif name == "thisown":
32  self.this.own(value)
33  elif hasattr(self, name) and isinstance(getattr(type(self), name), property):
34  set(self, name, value)
35  else:
36  raise AttributeError("You cannot add instance attributes to %s" % self)
37  return set_instance_attr
38 
39 
40 def _swig_setattr_nondynamic_class_variable(set):
41  def set_class_attr(cls, name, value):
42  if hasattr(cls, name) and not isinstance(getattr(cls, name), property):
43  set(cls, name, value)
44  else:
45  raise AttributeError("You cannot add class attributes to %s" % cls)
46  return set_class_attr
47 
48 
49 class _SwigNonDynamicMeta(type):
50  """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
51  __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
52 
53 
54 import weakref
55 
56 class IMP_MULTIFIT_SwigPyIterator(object):
57  r"""Proxy of C++ swig::IMP_MULTIFIT_SwigPyIterator class."""
58 
59  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
60 
61  def __init__(self, *args, **kwargs):
62  raise AttributeError("No constructor defined - class is abstract")
63  __repr__ = _swig_repr
64  __swig_destroy__ = _IMP_multifit.delete_IMP_MULTIFIT_SwigPyIterator
65 
66  def value(self):
67  r"""value(IMP_MULTIFIT_SwigPyIterator self) -> PyObject *"""
68  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_value(self)
69 
70  def incr(self, n=1):
71  r"""incr(IMP_MULTIFIT_SwigPyIterator self, size_t n=1) -> IMP_MULTIFIT_SwigPyIterator"""
72  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_incr(self, n)
73 
74  def decr(self, n=1):
75  r"""decr(IMP_MULTIFIT_SwigPyIterator self, size_t n=1) -> IMP_MULTIFIT_SwigPyIterator"""
76  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_decr(self, n)
77 
78  def distance(self, x):
79  r"""distance(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> ptrdiff_t"""
80  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_distance(self, x)
81 
82  def equal(self, x):
83  r"""equal(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> bool"""
84  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_equal(self, x)
85 
86  def copy(self):
87  r"""copy(IMP_MULTIFIT_SwigPyIterator self) -> IMP_MULTIFIT_SwigPyIterator"""
88  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_copy(self)
89 
90  def __next__(self):
91  r"""__next__(IMP_MULTIFIT_SwigPyIterator self) -> PyObject *"""
92  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___next__(self)
93 
94  def previous(self):
95  r"""previous(IMP_MULTIFIT_SwigPyIterator self) -> PyObject *"""
96  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_previous(self)
97 
98  def advance(self, n):
99  r"""advance(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
100  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_advance(self, n)
101 
102  def __eq__(self, x):
103  r"""__eq__(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> bool"""
104  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___eq__(self, x)
105 
106  def __ne__(self, x):
107  r"""__ne__(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> bool"""
108  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___ne__(self, x)
109 
110  def __iadd__(self, n):
111  r"""__iadd__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
112  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___iadd__(self, n)
113 
114  def __isub__(self, n):
115  r"""__isub__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
116  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___isub__(self, n)
117 
118  def __add__(self, n):
119  r"""__add__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
120  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___add__(self, n)
121 
122  def __sub__(self, *args):
123  r"""
124  __sub__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator
125  __sub__(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> ptrdiff_t
126  """
127  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___sub__(self, *args)
128  def __iter__(self):
129  return self
130 
131 # Register IMP_MULTIFIT_SwigPyIterator in _IMP_multifit:
132 _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_swigregister(IMP_MULTIFIT_SwigPyIterator)
133 
134 _value_types=[]
135 _object_types=[]
136 _raii_types=[]
137 _plural_types=[]
138 
139 IMP_DEBUG = _IMP_multifit.IMP_DEBUG
140 
141 IMP_RELEASE = _IMP_multifit.IMP_RELEASE
142 
143 IMP_SILENT = _IMP_multifit.IMP_SILENT
144 
145 IMP_PROGRESS = _IMP_multifit.IMP_PROGRESS
146 
147 IMP_TERSE = _IMP_multifit.IMP_TERSE
148 
149 IMP_VERBOSE = _IMP_multifit.IMP_VERBOSE
150 
151 IMP_MEMORY = _IMP_multifit.IMP_MEMORY
152 
153 IMP_NONE = _IMP_multifit.IMP_NONE
154 
155 IMP_USAGE = _IMP_multifit.IMP_USAGE
156 
157 IMP_INTERNAL = _IMP_multifit.IMP_INTERNAL
158 
159 IMP_KERNEL_HAS_LOG4CXX = _IMP_multifit.IMP_KERNEL_HAS_LOG4CXX
160 
161 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_multifit.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
162 
163 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_multifit.IMP_COMPILER_HAS_DEBUG_VECTOR
164 
165 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_multifit.IMP_COMPILER_HAS_RANDOM_SHUFFLE
166 
167 IMP_COMPILER_HAS_THREE_WAY = _IMP_multifit.IMP_COMPILER_HAS_THREE_WAY
168 
169 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_multifit.IMP_KERNEL_HAS_BOOST_RANDOM
170 
171 IMP_KERNEL_HAS_NUMPY = _IMP_multifit.IMP_KERNEL_HAS_NUMPY
172 
173 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_KERNEL_HAS_BOOST_SYSTEM
174 
175 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_multifit.IMP_KERNEL_HAS_GPERFTOOLS
176 
177 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_multifit.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
178 
179 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_multifit.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
180 
181 IMPKERNEL_SHOW_WARNINGS = _IMP_multifit.IMPKERNEL_SHOW_WARNINGS
182 
183 
184 import sys
185 class _DirectorObjects:
186  """@internal Simple class to keep references to director objects
187  to prevent premature deletion."""
188  def __init__(self):
189  self._objects = []
190  def register(self, obj):
191  """Take a reference to a director object; will only work for
192  refcounted C++ classes"""
193  if hasattr(obj, 'get_ref_count'):
194  self._objects.append(obj)
195  def cleanup(self):
196  """Only drop our reference and allow cleanup by Python if no other
197  Python references exist (we hold 3 references: one in self._objects,
198  one in x, and one in the argument list for getrefcount) *and* no
199  other C++ references exist (the Python object always holds one)"""
200  objs = [x for x in self._objects if sys.getrefcount(x) > 3 \
201  or x.get_ref_count() > 1]
202 # Do in two steps so the references are kept until the end of the
203 # function (deleting references may trigger a fresh call to this method)
204  self._objects = objs
205  def get_object_count(self):
206  """Get number of director objects (useful for testing only)"""
207  return len(self._objects)
208 _director_objects = _DirectorObjects()
209 
210 class _ostream(object):
211  r"""Proxy of C++ std::ostream class."""
212 
213  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
214 
215  def __init__(self, *args, **kwargs):
216  raise AttributeError("No constructor defined")
217  __repr__ = _swig_repr
218 
219  def write(self, osa_buf):
220  r"""write(_ostream self, char const * osa_buf)"""
221  return _IMP_multifit._ostream_write(self, osa_buf)
222 
223 # Register _ostream in _IMP_multifit:
224 _IMP_multifit._ostream_swigregister(_ostream)
225 IMP_C_OPEN_BINARY = _IMP_multifit.IMP_C_OPEN_BINARY
226 
227 import IMP
228 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_CGAL_HAS_BOOST_FILESYSTEM
229 
230 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
231 
232 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_multifit.IMP_CGAL_HAS_BOOST_RANDOM
233 
234 IMP_CGAL_HAS_NUMPY = _IMP_multifit.IMP_CGAL_HAS_NUMPY
235 
236 IMPCGAL_SHOW_WARNINGS = _IMP_multifit.IMPCGAL_SHOW_WARNINGS
237 
238 import IMP.cgal
239 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_multifit.IMP_ALGEBRA_HAS_IMP_CGAL
240 
241 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
242 
243 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
244 
245 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_RANDOM
246 
247 IMP_ALGEBRA_HAS_CGAL = _IMP_multifit.IMP_ALGEBRA_HAS_CGAL
248 
249 IMP_ALGEBRA_HAS_NUMPY = _IMP_multifit.IMP_ALGEBRA_HAS_NUMPY
250 
251 IMP_ALGEBRA_HAS_ANN = _IMP_multifit.IMP_ALGEBRA_HAS_ANN
252 
253 IMPALGEBRA_SHOW_WARNINGS = _IMP_multifit.IMPALGEBRA_SHOW_WARNINGS
254 
255 import IMP.algebra
256 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_multifit.IMP_DISPLAY_HAS_IMP_CGAL
257 
258 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
259 
260 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
261 
262 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_multifit.IMP_DISPLAY_HAS_BOOST_RANDOM
263 
264 IMP_DISPLAY_HAS_CGAL = _IMP_multifit.IMP_DISPLAY_HAS_CGAL
265 
266 IMP_DISPLAY_HAS_NUMPY = _IMP_multifit.IMP_DISPLAY_HAS_NUMPY
267 
268 IMPDISPLAY_SHOW_WARNINGS = _IMP_multifit.IMPDISPLAY_SHOW_WARNINGS
269 
270 import IMP.display
271 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
272 
273 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
274 
275 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
276 
277 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
278 
279 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_CGAL
280 
281 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_HDF5
282 
283 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_NUMPY
284 
285 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_multifit.IMPSCOREFUNCTOR_SHOW_WARNINGS
286 
287 import IMP.score_functor
288 IMP_STATISTICS_HAS_IMP_CGAL = _IMP_multifit.IMP_STATISTICS_HAS_IMP_CGAL
289 
290 IMP_STATISTICS_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_STATISTICS_HAS_BOOST_FILESYSTEM
291 
292 IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS
293 
294 IMP_STATISTICS_HAS_BOOST_RANDOM = _IMP_multifit.IMP_STATISTICS_HAS_BOOST_RANDOM
295 
296 IMP_STATISTICS_HAS_CGAL = _IMP_multifit.IMP_STATISTICS_HAS_CGAL
297 
298 IMP_STATISTICS_HAS_NUMPY = _IMP_multifit.IMP_STATISTICS_HAS_NUMPY
299 
300 IMPSTATISTICS_SHOW_WARNINGS = _IMP_multifit.IMPSTATISTICS_SHOW_WARNINGS
301 
302 import IMP.statistics
303 IMP_CORE_HAS_IMP_CGAL = _IMP_multifit.IMP_CORE_HAS_IMP_CGAL
304 
305 IMP_CORE_HAS_IMP_KERNEL = _IMP_multifit.IMP_CORE_HAS_IMP_KERNEL
306 
307 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_CORE_HAS_BOOST_FILESYSTEM
308 
309 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
310 
311 IMP_CORE_HAS_BOOST_RANDOM = _IMP_multifit.IMP_CORE_HAS_BOOST_RANDOM
312 
313 IMP_CORE_HAS_CGAL = _IMP_multifit.IMP_CORE_HAS_CGAL
314 
315 IMP_CORE_HAS_HDF5 = _IMP_multifit.IMP_CORE_HAS_HDF5
316 
317 IMP_CORE_HAS_NUMPY = _IMP_multifit.IMP_CORE_HAS_NUMPY
318 
319 IMPCORE_SHOW_WARNINGS = _IMP_multifit.IMPCORE_SHOW_WARNINGS
320 
321 import IMP.core
322 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_multifit.IMP_CONTAINER_HAS_IMP_ALGEBRA
323 
324 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_multifit.IMP_CONTAINER_HAS_IMP_CGAL
325 
326 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_multifit.IMP_CONTAINER_HAS_IMP_DISPLAY
327 
328 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_multifit.IMP_CONTAINER_HAS_IMP_KERNEL
329 
330 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
331 
332 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
333 
334 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
335 
336 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_multifit.IMP_CONTAINER_HAS_BOOST_RANDOM
337 
338 IMP_CONTAINER_HAS_CGAL = _IMP_multifit.IMP_CONTAINER_HAS_CGAL
339 
340 IMP_CONTAINER_HAS_HDF5 = _IMP_multifit.IMP_CONTAINER_HAS_HDF5
341 
342 IMP_CONTAINER_HAS_NUMPY = _IMP_multifit.IMP_CONTAINER_HAS_NUMPY
343 
344 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_multifit.IMP_CONTAINER_HAS_PYTHON_IHM
345 
346 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_multifit.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
347 
348 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_multifit.IMP_CONTAINER_HAS_ROBIN_MAP
349 
350 IMPCONTAINER_SHOW_WARNINGS = _IMP_multifit.IMPCONTAINER_SHOW_WARNINGS
351 
352 import IMP.container
353 IMP_ATOM_HAS_IMP_CGAL = _IMP_multifit.IMP_ATOM_HAS_IMP_CGAL
354 
355 IMP_ATOM_HAS_IMP_KERNEL = _IMP_multifit.IMP_ATOM_HAS_IMP_KERNEL
356 
357 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
358 
359 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
360 
361 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_multifit.IMP_ATOM_HAS_BOOST_RANDOM
362 
363 IMP_ATOM_HAS_BOOST_REGEX = _IMP_multifit.IMP_ATOM_HAS_BOOST_REGEX
364 
365 IMP_ATOM_HAS_CGAL = _IMP_multifit.IMP_ATOM_HAS_CGAL
366 
367 IMP_ATOM_HAS_HDF5 = _IMP_multifit.IMP_ATOM_HAS_HDF5
368 
369 IMP_ATOM_HAS_NUMPY = _IMP_multifit.IMP_ATOM_HAS_NUMPY
370 
371 IMP_ATOM_HAS_PYTHON_IHM = _IMP_multifit.IMP_ATOM_HAS_PYTHON_IHM
372 
373 IMPATOM_SHOW_WARNINGS = _IMP_multifit.IMPATOM_SHOW_WARNINGS
374 
375 IMP_ATOM_TYPE_INDEX = _IMP_multifit.IMP_ATOM_TYPE_INDEX
376 
377 IMP_RESIDUE_TYPE_INDEX = _IMP_multifit.IMP_RESIDUE_TYPE_INDEX
378 
379 IMP_HIERARCHY_TYPE_INDEX = _IMP_multifit.IMP_HIERARCHY_TYPE_INDEX
380 
381 IMP_CHAIN_TYPE_INDEX = _IMP_multifit.IMP_CHAIN_TYPE_INDEX
382 
383 import IMP.atom
384 IMP_EM_HAS_IMP_CGAL = _IMP_multifit.IMP_EM_HAS_IMP_CGAL
385 
386 IMP_EM_HAS_IMP_CONTAINER = _IMP_multifit.IMP_EM_HAS_IMP_CONTAINER
387 
388 IMP_EM_HAS_IMP_DISPLAY = _IMP_multifit.IMP_EM_HAS_IMP_DISPLAY
389 
390 IMP_EM_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_EM_HAS_IMP_SCORE_FUNCTOR
391 
392 IMP_EM_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_EM_HAS_BOOST_FILESYSTEM
393 
394 IMP_EM_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_EM_HAS_BOOST_PROGRAMOPTIONS
395 
396 IMP_EM_HAS_BOOST_RANDOM = _IMP_multifit.IMP_EM_HAS_BOOST_RANDOM
397 
398 IMP_EM_HAS_BOOST_REGEX = _IMP_multifit.IMP_EM_HAS_BOOST_REGEX
399 
400 IMP_EM_HAS_CGAL = _IMP_multifit.IMP_EM_HAS_CGAL
401 
402 IMP_EM_HAS_HDF5 = _IMP_multifit.IMP_EM_HAS_HDF5
403 
404 IMP_EM_HAS_NUMPY = _IMP_multifit.IMP_EM_HAS_NUMPY
405 
406 IMP_EM_HAS_PYTHON_IHM = _IMP_multifit.IMP_EM_HAS_PYTHON_IHM
407 
408 IMPEM_SHOW_WARNINGS = _IMP_multifit.IMPEM_SHOW_WARNINGS
409 
410 import IMP.em
411 IMP_SAXS_HAS_IMP_CGAL = _IMP_multifit.IMP_SAXS_HAS_IMP_CGAL
412 
413 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_multifit.IMP_SAXS_HAS_IMP_CONTAINER
414 
415 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_multifit.IMP_SAXS_HAS_IMP_DISPLAY
416 
417 IMP_SAXS_HAS_IMP_KERNEL = _IMP_multifit.IMP_SAXS_HAS_IMP_KERNEL
418 
419 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
420 
421 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_SAXS_HAS_BOOST_FILESYSTEM
422 
423 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
424 
425 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_multifit.IMP_SAXS_HAS_BOOST_RANDOM
426 
427 IMP_SAXS_HAS_BOOST_REGEX = _IMP_multifit.IMP_SAXS_HAS_BOOST_REGEX
428 
429 IMP_SAXS_HAS_CGAL = _IMP_multifit.IMP_SAXS_HAS_CGAL
430 
431 IMP_SAXS_HAS_HDF5 = _IMP_multifit.IMP_SAXS_HAS_HDF5
432 
433 IMP_SAXS_HAS_NUMPY = _IMP_multifit.IMP_SAXS_HAS_NUMPY
434 
435 IMP_SAXS_HAS_PYTHON_IHM = _IMP_multifit.IMP_SAXS_HAS_PYTHON_IHM
436 
437 IMPSAXS_SHOW_WARNINGS = _IMP_multifit.IMPSAXS_SHOW_WARNINGS
438 
439 import IMP.saxs
440 IMP_ISD_HAS_IMP_CGAL = _IMP_multifit.IMP_ISD_HAS_IMP_CGAL
441 
442 IMP_ISD_HAS_IMP_DISPLAY = _IMP_multifit.IMP_ISD_HAS_IMP_DISPLAY
443 
444 IMP_ISD_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_ISD_HAS_IMP_SCORE_FUNCTOR
445 
446 IMP_ISD_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_ISD_HAS_BOOST_FILESYSTEM
447 
448 IMP_ISD_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_ISD_HAS_BOOST_PROGRAMOPTIONS
449 
450 IMP_ISD_HAS_BOOST_RANDOM = _IMP_multifit.IMP_ISD_HAS_BOOST_RANDOM
451 
452 IMP_ISD_HAS_BOOST_REGEX = _IMP_multifit.IMP_ISD_HAS_BOOST_REGEX
453 
454 IMP_ISD_HAS_CGAL = _IMP_multifit.IMP_ISD_HAS_CGAL
455 
456 IMP_ISD_HAS_HDF5 = _IMP_multifit.IMP_ISD_HAS_HDF5
457 
458 IMP_ISD_HAS_NUMPY = _IMP_multifit.IMP_ISD_HAS_NUMPY
459 
460 IMP_ISD_HAS_PYTHON_IHM = _IMP_multifit.IMP_ISD_HAS_PYTHON_IHM
461 
462 IMPISD_SHOW_WARNINGS = _IMP_multifit.IMPISD_SHOW_WARNINGS
463 
464 import IMP.isd
465 IMP_RMF_HAS_IMP_CGAL = _IMP_multifit.IMP_RMF_HAS_IMP_CGAL
466 
467 IMP_RMF_HAS_IMP_EM = _IMP_multifit.IMP_RMF_HAS_IMP_EM
468 
469 IMP_RMF_HAS_IMP_SAXS = _IMP_multifit.IMP_RMF_HAS_IMP_SAXS
470 
471 IMP_RMF_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_RMF_HAS_IMP_SCORE_FUNCTOR
472 
473 IMP_RMF_HAS_IMP_STATISTICS = _IMP_multifit.IMP_RMF_HAS_IMP_STATISTICS
474 
475 IMP_RMF_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_RMF_HAS_BOOST_FILESYSTEM
476 
477 IMP_RMF_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_RMF_HAS_BOOST_PROGRAMOPTIONS
478 
479 IMP_RMF_HAS_BOOST_RANDOM = _IMP_multifit.IMP_RMF_HAS_BOOST_RANDOM
480 
481 IMP_RMF_HAS_BOOST_REGEX = _IMP_multifit.IMP_RMF_HAS_BOOST_REGEX
482 
483 IMP_RMF_HAS_CGAL = _IMP_multifit.IMP_RMF_HAS_CGAL
484 
485 IMP_RMF_HAS_HDF5 = _IMP_multifit.IMP_RMF_HAS_HDF5
486 
487 IMP_RMF_HAS_NUMPY = _IMP_multifit.IMP_RMF_HAS_NUMPY
488 
489 IMP_RMF_HAS_PYTHON_IHM = _IMP_multifit.IMP_RMF_HAS_PYTHON_IHM
490 
491 IMPRMF_SHOW_WARNINGS = _IMP_multifit.IMPRMF_SHOW_WARNINGS
492 
493 import IMP.rmf
494 import RMF
495 IMP_DOMINO_HAS_IMP_ATOM = _IMP_multifit.IMP_DOMINO_HAS_IMP_ATOM
496 
497 IMP_DOMINO_HAS_IMP_CGAL = _IMP_multifit.IMP_DOMINO_HAS_IMP_CGAL
498 
499 IMP_DOMINO_HAS_IMP_EM = _IMP_multifit.IMP_DOMINO_HAS_IMP_EM
500 
501 IMP_DOMINO_HAS_IMP_ISD = _IMP_multifit.IMP_DOMINO_HAS_IMP_ISD
502 
503 IMP_DOMINO_HAS_IMP_KERNEL = _IMP_multifit.IMP_DOMINO_HAS_IMP_KERNEL
504 
505 IMP_DOMINO_HAS_IMP_RMF = _IMP_multifit.IMP_DOMINO_HAS_IMP_RMF
506 
507 IMP_DOMINO_HAS_IMP_SAXS = _IMP_multifit.IMP_DOMINO_HAS_IMP_SAXS
508 
509 IMP_DOMINO_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_DOMINO_HAS_IMP_SCORE_FUNCTOR
510 
511 IMP_DOMINO_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_DOMINO_HAS_BOOST_FILESYSTEM
512 
513 IMP_DOMINO_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_DOMINO_HAS_BOOST_PROGRAMOPTIONS
514 
515 IMP_DOMINO_HAS_BOOST_RANDOM = _IMP_multifit.IMP_DOMINO_HAS_BOOST_RANDOM
516 
517 IMP_DOMINO_HAS_BOOST_REGEX = _IMP_multifit.IMP_DOMINO_HAS_BOOST_REGEX
518 
519 IMP_DOMINO_HAS_CGAL = _IMP_multifit.IMP_DOMINO_HAS_CGAL
520 
521 IMP_DOMINO_HAS_HDF5 = _IMP_multifit.IMP_DOMINO_HAS_HDF5
522 
523 IMP_DOMINO_HAS_NUMPY = _IMP_multifit.IMP_DOMINO_HAS_NUMPY
524 
525 IMP_DOMINO_HAS_RMF = _IMP_multifit.IMP_DOMINO_HAS_RMF
526 
527 IMP_DOMINO_HAS_PYTHON_IHM = _IMP_multifit.IMP_DOMINO_HAS_PYTHON_IHM
528 
529 IMPDOMINO_SHOW_WARNINGS = _IMP_multifit.IMPDOMINO_SHOW_WARNINGS
530 
531 import RMF_HDF5
532 import IMP.domino
533 IMP_MULTIFIT_HAS_IMP_CGAL = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_CGAL
534 
535 IMP_MULTIFIT_HAS_IMP_CONTAINER = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_CONTAINER
536 
537 IMP_MULTIFIT_HAS_IMP_DISPLAY = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_DISPLAY
538 
539 IMP_MULTIFIT_HAS_IMP_ISD = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_ISD
540 
541 IMP_MULTIFIT_HAS_IMP_KERNEL = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_KERNEL
542 
543 IMP_MULTIFIT_HAS_IMP_RMF = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_RMF
544 
545 IMP_MULTIFIT_HAS_IMP_SAXS = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_SAXS
546 
547 IMP_MULTIFIT_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_SCORE_FUNCTOR
548 
549 IMP_MULTIFIT_HAS_BOOST_GRAPH = _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_GRAPH
550 
551 IMP_MULTIFIT_HAS_BOOST_RANDOM = _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_RANDOM
552 
553 IMP_MULTIFIT_HAS_BOOST_REGEX = _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_REGEX
554 
555 IMP_MULTIFIT_HAS_CGAL = _IMP_multifit.IMP_MULTIFIT_HAS_CGAL
556 
557 IMP_MULTIFIT_HAS_HDF5 = _IMP_multifit.IMP_MULTIFIT_HAS_HDF5
558 
559 IMP_MULTIFIT_HAS_NUMPY = _IMP_multifit.IMP_MULTIFIT_HAS_NUMPY
560 
561 IMP_MULTIFIT_HAS_RMF = _IMP_multifit.IMP_MULTIFIT_HAS_RMF
562 
563 IMP_MULTIFIT_HAS_PYTHON_IHM = _IMP_multifit.IMP_MULTIFIT_HAS_PYTHON_IHM
564 
565 IMPMULTIFIT_SHOW_WARNINGS = _IMP_multifit.IMPMULTIFIT_SHOW_WARNINGS
566 
567 
568 _object_types.append("RadiusOfGyrationRestraint")
569 
570 
571 def _object_cast_to_RadiusOfGyrationRestraint(o):
572  r"""_object_cast_to_RadiusOfGyrationRestraint(Object o) -> RadiusOfGyrationRestraint"""
573  return _IMP_multifit._object_cast_to_RadiusOfGyrationRestraint(o)
574 
575 _object_types.append("ComponentHeader")
576 
577 
578 def _object_cast_to_ComponentHeader(o):
579  r"""_object_cast_to_ComponentHeader(Object o) -> ComponentHeader"""
580  return _IMP_multifit._object_cast_to_ComponentHeader(o)
581 
582 _object_types.append("AssemblyHeader")
583 
584 
585 def _object_cast_to_AssemblyHeader(o):
586  r"""_object_cast_to_AssemblyHeader(Object o) -> AssemblyHeader"""
587  return _IMP_multifit._object_cast_to_AssemblyHeader(o)
588 
589 _object_types.append("SettingsData")
590 
591 
592 def _object_cast_to_SettingsData(o):
593  r"""_object_cast_to_SettingsData(Object o) -> SettingsData"""
594  return _IMP_multifit._object_cast_to_SettingsData(o)
595 
596 _object_types.append("WeightedExcludedVolumeRestraint")
597 
598 
599 def _object_cast_to_WeightedExcludedVolumeRestraint(o):
600  r"""_object_cast_to_WeightedExcludedVolumeRestraint(Object o) -> WeightedExcludedVolumeRestraint"""
601  return _IMP_multifit._object_cast_to_WeightedExcludedVolumeRestraint(o)
602 
603 _object_types.append("ComplementarityRestraint")
604 
605 
606 def _object_cast_to_ComplementarityRestraint(o):
607  r"""_object_cast_to_ComplementarityRestraint(Object o) -> ComplementarityRestraint"""
608  return _IMP_multifit._object_cast_to_ComplementarityRestraint(o)
609 
610 ProteinRecordDataList=list
611 _plural_types.append("ProteinRecordDataList")
612 _value_types.append("ProteinRecordData")
613 
614 
615 FittingSolutionRecords=list
616 _plural_types.append("FittingSolutionRecords")
617 _value_types.append("FittingSolutionRecord")
618 
619 
620 AnchorsDataList=list
621 _plural_types.append("AnchorsDataList")
622 _value_types.append("AnchorsData")
623 
624 
625 DominoParamsList=list
626 _plural_types.append("DominoParamsList")
627 _value_types.append("DominoParams")
628 
629 
630 ComplementarityParamsList=list
631 _plural_types.append("ComplementarityParamsList")
632 _value_types.append("ComplementarityParams")
633 
634 
635 XlinkParamsList=list
636 _plural_types.append("XlinkParamsList")
637 _value_types.append("XlinkParams")
638 
639 
640 ConnectivityParamsList=list
641 _plural_types.append("ConnectivityParamsList")
642 _value_types.append("ConnectivityParams")
643 
644 
645 FragmentsParamsList=list
646 _plural_types.append("FragmentsParamsList")
647 _value_types.append("FragmentsParams")
648 
649 
650 RogParamsList=list
651 _plural_types.append("RogParamsList")
652 _value_types.append("RogParams")
653 
654 
655 EVParamsList=list
656 _plural_types.append("EVParamsList")
657 _value_types.append("EVParams")
658 
659 
660 FiltersParamsList=list
661 _plural_types.append("FiltersParamsList")
662 _value_types.append("FiltersParams")
663 
664 
665 AlignmentParamsList=list
666 _plural_types.append("AlignmentParamsList")
667 _value_types.append("AlignmentParams")
668 
669 
670 FittingParamsList=list
671 _plural_types.append("FittingParamsList")
672 _value_types.append("FittingParams")
673 
674 
675 ProteinsAnchorsSamplingSpaces=list
676 _plural_types.append("ProteinsAnchorsSamplingSpaces")
677 _value_types.append("ProteinsAnchorsSamplingSpace")
678 
679 
680 _object_types.append("ProteomicsData")
681 
682 
683 def _object_cast_to_ProteomicsData(o):
684  r"""_object_cast_to_ProteomicsData(Object o) -> ProteomicsData"""
685  return _IMP_multifit._object_cast_to_ProteomicsData(o)
686 
687 _object_types.append("FFTFitting")
688 
689 
690 def _object_cast_to_FFTFitting(o):
691  r"""_object_cast_to_FFTFitting(Object o) -> FFTFitting"""
692  return _IMP_multifit._object_cast_to_FFTFitting(o)
693 
694 _object_types.append("FFTFittingOutput")
695 
696 
697 def _object_cast_to_FFTFittingOutput(o):
698  r"""_object_cast_to_FFTFittingOutput(Object o) -> FFTFittingOutput"""
699  return _IMP_multifit._object_cast_to_FFTFittingOutput(o)
700 
701 _object_types.append("ProbabilisticAnchorGraph")
702 
703 
704 def _object_cast_to_ProbabilisticAnchorGraph(o):
705  r"""_object_cast_to_ProbabilisticAnchorGraph(Object o) -> ProbabilisticAnchorGraph"""
706  return _IMP_multifit._object_cast_to_ProbabilisticAnchorGraph(o)
707 
708 _object_types.append("Ensemble")
709 
710 
711 def _object_cast_to_Ensemble(o):
712  r"""_object_cast_to_Ensemble(Object o) -> Ensemble"""
713  return _IMP_multifit._object_cast_to_Ensemble(o)
714 
715 _object_types.append("ProteomicsEMAlignmentAtomic")
716 
717 
718 def _object_cast_to_ProteomicsEMAlignmentAtomic(o):
719  r"""_object_cast_to_ProteomicsEMAlignmentAtomic(Object o) -> ProteomicsEMAlignmentAtomic"""
720  return _IMP_multifit._object_cast_to_ProteomicsEMAlignmentAtomic(o)
721 
722 _object_types.append("RigidLeavesRefiner")
723 
724 
725 def _object_cast_to_RigidLeavesRefiner(o):
726  r"""_object_cast_to_RigidLeavesRefiner(Object o) -> RigidLeavesRefiner"""
727  return _IMP_multifit._object_cast_to_RigidLeavesRefiner(o)
728 
729 def add_surface_index(*args):
730  r"""add_surface_index(Hierarchy mhd, IMP::Float apix, FloatKey shell_key=IMP::FloatKey("surf_ind"), FloatKey radius_key=IMP::core::XYZR::get_radius_key(), FloatKey weight_key=IMP::atom::Mass::get_mass_key())"""
731  return _IMP_multifit.add_surface_index(*args)
732 
734  r"""create_weighted_excluded_volume_restraint(RigidBody rb1, RigidBody rb2, FloatKey shell_key=IMP::FloatKey("surf_ind")) -> Restraint"""
735  return _IMP_multifit.create_weighted_excluded_volume_restraint(*args)
736 class FittingSolutionRecord(object):
737  r"""Proxy of C++ IMP::multifit::FittingSolutionRecord class."""
738 
739  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
740 
741  def __init__(self):
742  r"""__init__(FittingSolutionRecord self) -> FittingSolutionRecord"""
743  _IMP_multifit.FittingSolutionRecord_swiginit(self, _IMP_multifit.new_FittingSolutionRecord())
744 
745  def get_index(self):
746  r"""get_index(FittingSolutionRecord self) -> unsigned int"""
747  return _IMP_multifit.FittingSolutionRecord_get_index(self)
748 
749  def set_index(self, new_ind):
750  r"""set_index(FittingSolutionRecord self, unsigned int new_ind)"""
751  return _IMP_multifit.FittingSolutionRecord_set_index(self, new_ind)
752 
753  def get_solution_filename(self):
754  r"""get_solution_filename(FittingSolutionRecord self) -> std::string"""
755  return _IMP_multifit.FittingSolutionRecord_get_solution_filename(self)
756 
757  def set_solution_filename(self, sol_fn):
758  r"""set_solution_filename(FittingSolutionRecord self, std::string sol_fn)"""
759  return _IMP_multifit.FittingSolutionRecord_set_solution_filename(self, sol_fn)
760 
761  def get_fit_transformation(self):
762  r"""get_fit_transformation(FittingSolutionRecord self) -> Transformation3D"""
763  return _IMP_multifit.FittingSolutionRecord_get_fit_transformation(self)
764 
765  def set_fit_transformation(self, t):
766  r"""set_fit_transformation(FittingSolutionRecord self, Transformation3D t)"""
767  return _IMP_multifit.FittingSolutionRecord_set_fit_transformation(self, t)
768 
769  def get_match_size(self):
770  r"""get_match_size(FittingSolutionRecord self) -> unsigned int"""
771  return _IMP_multifit.FittingSolutionRecord_get_match_size(self)
772 
773  def set_match_size(self, match_size):
774  r"""set_match_size(FittingSolutionRecord self, unsigned int match_size)"""
775  return _IMP_multifit.FittingSolutionRecord_set_match_size(self, match_size)
776 
777  def get_match_average_distance(self):
778  r"""get_match_average_distance(FittingSolutionRecord self) -> IMP::Float"""
779  return _IMP_multifit.FittingSolutionRecord_get_match_average_distance(self)
780 
781  def set_match_average_distance(self, match_avg_dist):
782  r"""set_match_average_distance(FittingSolutionRecord self, IMP::Float match_avg_dist)"""
783  return _IMP_multifit.FittingSolutionRecord_set_match_average_distance(self, match_avg_dist)
784 
785  def get_fitting_score(self):
786  r"""get_fitting_score(FittingSolutionRecord self) -> IMP::Float"""
787  return _IMP_multifit.FittingSolutionRecord_get_fitting_score(self)
788 
789  def set_fitting_score(self, fit_score):
790  r"""set_fitting_score(FittingSolutionRecord self, IMP::Float fit_score)"""
791  return _IMP_multifit.FittingSolutionRecord_set_fitting_score(self, fit_score)
792 
793  def get_rmsd_to_reference(self):
794  r"""get_rmsd_to_reference(FittingSolutionRecord self) -> IMP::Float"""
795  return _IMP_multifit.FittingSolutionRecord_get_rmsd_to_reference(self)
796 
797  def set_rmsd_to_reference(self, rmsd_to_ref):
798  r"""set_rmsd_to_reference(FittingSolutionRecord self, IMP::Float rmsd_to_ref)"""
799  return _IMP_multifit.FittingSolutionRecord_set_rmsd_to_reference(self, rmsd_to_ref)
800 
801  def get_dock_transformation(self):
802  r"""get_dock_transformation(FittingSolutionRecord self) -> Transformation3D"""
803  return _IMP_multifit.FittingSolutionRecord_get_dock_transformation(self)
804 
805  def set_dock_transformation(self, t):
806  r"""set_dock_transformation(FittingSolutionRecord self, Transformation3D t)"""
807  return _IMP_multifit.FittingSolutionRecord_set_dock_transformation(self, t)
808 
809  def get_envelope_penetration_score(self):
810  r"""get_envelope_penetration_score(FittingSolutionRecord self) -> IMP::Float"""
811  return _IMP_multifit.FittingSolutionRecord_get_envelope_penetration_score(self)
812 
813  def set_envelope_penetration_score(self, s):
814  r"""set_envelope_penetration_score(FittingSolutionRecord self, IMP::Float s)"""
815  return _IMP_multifit.FittingSolutionRecord_set_envelope_penetration_score(self, s)
816 
817  def show(self, *args):
818  r"""show(FittingSolutionRecord self, _ostream out=std::cout)"""
819  return _IMP_multifit.FittingSolutionRecord_show(self, *args)
820 
821  @staticmethod
822  def get_record_header():
823  r"""get_record_header() -> std::string"""
824  return _IMP_multifit.FittingSolutionRecord_get_record_header()
825 
826  def __str__(self):
827  r"""__str__(FittingSolutionRecord self) -> std::string"""
828  return _IMP_multifit.FittingSolutionRecord___str__(self)
829 
830  def __repr__(self):
831  r"""__repr__(FittingSolutionRecord self) -> std::string"""
832  return _IMP_multifit.FittingSolutionRecord___repr__(self)
833 
834  def _get_as_binary(self):
835  r"""_get_as_binary(FittingSolutionRecord self) -> PyObject *"""
836  return _IMP_multifit.FittingSolutionRecord__get_as_binary(self)
837 
838  def _set_from_binary(self, p):
839  r"""_set_from_binary(FittingSolutionRecord self, PyObject * p)"""
840  return _IMP_multifit.FittingSolutionRecord__set_from_binary(self, p)
841 
842  def __getstate__(self):
843  p = self._get_as_binary()
844  if len(self.__dict__) > 1:
845  d = self.__dict__.copy()
846  del d['this']
847  p = (d, p)
848  return p
849 
850  def __setstate__(self, p):
851  if not hasattr(self, 'this'):
852  self.__init__()
853  if isinstance(p, tuple):
854  d, p = p
855  self.__dict__.update(d)
856  return self._set_from_binary(p)
857 
858  __swig_destroy__ = _IMP_multifit.delete_FittingSolutionRecord
859 
860 # Register FittingSolutionRecord in _IMP_multifit:
861 _IMP_multifit.FittingSolutionRecord_swigregister(FittingSolutionRecord)
862 
863 def pca_based_rigid_fitting(*args):
864  r"""
865  pca_based_rigid_fitting(RigidBody rb, Refiner rb_refiner, DensityMap em_map, IMP::Float threshold, FloatKey wei_key=IMP::atom::Mass::get_mass_key(), PrincipalComponentAnalysis3D dens_pca_input=IMP::algebra::PrincipalComponentAnalysis()) -> FittingSolutions
866  pca_based_rigid_fitting(IMP::ParticlesTemp ps, DensityMap em_map, IMP::Float threshold, FloatKey wei_key=IMP::atom::Mass::get_mass_key(), PrincipalComponentAnalysis3D dens_pca_input=IMP::algebra::PrincipalComponentAnalysis()) -> FittingSolutions
867  """
868  return _IMP_multifit.pca_based_rigid_fitting(*args)
869 
870 def write_markers(pca, out):
871  r"""write_markers(PrincipalComponentAnalysis3D pca, _ostream out)"""
872  return _IMP_multifit.write_markers(pca, out)
873 class ComponentHeader(IMP.Object):
874  r"""Proxy of C++ IMP::multifit::ComponentHeader class."""
875 
876  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
877 
878  def __init__(self):
879  r"""__init__(ComponentHeader self) -> ComponentHeader"""
880  _IMP_multifit.ComponentHeader_swiginit(self, _IMP_multifit.new_ComponentHeader())
881 
882  def set_name(self, name):
883  r"""set_name(ComponentHeader self, std::string const & name)"""
884  return _IMP_multifit.ComponentHeader_set_name(self, name)
885 
886  def get_name(self):
887  r"""get_name(ComponentHeader self) -> std::string"""
888  return _IMP_multifit.ComponentHeader_get_name(self)
889 
890  def get_filename(self):
891  r"""get_filename(ComponentHeader self) -> std::string"""
892  return _IMP_multifit.ComponentHeader_get_filename(self)
893 
894  def set_filename(self, filename):
895  r"""set_filename(ComponentHeader self, std::string const & filename)"""
896  return _IMP_multifit.ComponentHeader_set_filename(self, filename)
897 
898  def get_surface_fn(self):
899  r"""get_surface_fn(ComponentHeader self) -> std::string"""
900  return _IMP_multifit.ComponentHeader_get_surface_fn(self)
901 
902  def set_surface_fn(self, fn):
903  r"""set_surface_fn(ComponentHeader self, std::string const & fn)"""
904  return _IMP_multifit.ComponentHeader_set_surface_fn(self, fn)
905 
906  def set_txt_ap_fn(self, pdb_ap_fn):
907  r"""set_txt_ap_fn(ComponentHeader self, std::string const & pdb_ap_fn)"""
908  return _IMP_multifit.ComponentHeader_set_txt_ap_fn(self, pdb_ap_fn)
909 
910  def get_txt_ap_fn(self):
911  r"""get_txt_ap_fn(ComponentHeader self) -> std::string"""
912  return _IMP_multifit.ComponentHeader_get_txt_ap_fn(self)
913 
914  def set_txt_fine_ap_fn(self, pdb_ap_fn):
915  r"""set_txt_fine_ap_fn(ComponentHeader self, std::string const & pdb_ap_fn)"""
916  return _IMP_multifit.ComponentHeader_set_txt_fine_ap_fn(self, pdb_ap_fn)
917 
918  def get_txt_fine_ap_fn(self):
919  r"""get_txt_fine_ap_fn(ComponentHeader self) -> std::string"""
920  return _IMP_multifit.ComponentHeader_get_txt_fine_ap_fn(self)
921 
922  def set_num_ap(self, num_ap):
923  r"""set_num_ap(ComponentHeader self, int num_ap)"""
924  return _IMP_multifit.ComponentHeader_set_num_ap(self, num_ap)
925 
926  def get_num_ap(self):
927  r"""get_num_ap(ComponentHeader self) -> int"""
928  return _IMP_multifit.ComponentHeader_get_num_ap(self)
929 
930  def set_num_fine_ap(self, num_ap):
931  r"""set_num_fine_ap(ComponentHeader self, int num_ap)"""
932  return _IMP_multifit.ComponentHeader_set_num_fine_ap(self, num_ap)
933 
934  def get_num_fine_ap(self):
935  r"""get_num_fine_ap(ComponentHeader self) -> int"""
936  return _IMP_multifit.ComponentHeader_get_num_fine_ap(self)
937 
938  def set_transformations_fn(self, transformations_fn):
939  r"""set_transformations_fn(ComponentHeader self, std::string transformations_fn)"""
940  return _IMP_multifit.ComponentHeader_set_transformations_fn(self, transformations_fn)
941 
942  def get_transformations_fn(self):
943  r"""get_transformations_fn(ComponentHeader self) -> std::string"""
944  return _IMP_multifit.ComponentHeader_get_transformations_fn(self)
945 
946  def set_reference_fn(self, ref_fn):
947  r"""set_reference_fn(ComponentHeader self, std::string const & ref_fn)"""
948  return _IMP_multifit.ComponentHeader_set_reference_fn(self, ref_fn)
949 
950  def get_reference_fn(self):
951  r"""get_reference_fn(ComponentHeader self) -> std::string"""
952  return _IMP_multifit.ComponentHeader_get_reference_fn(self)
953 
954  def get_version_info(self):
955  r"""get_version_info(ComponentHeader self) -> VersionInfo"""
956  return _IMP_multifit.ComponentHeader_get_version_info(self)
957  __swig_destroy__ = _IMP_multifit.delete_ComponentHeader
958 
959  def __str__(self):
960  r"""__str__(ComponentHeader self) -> std::string"""
961  return _IMP_multifit.ComponentHeader___str__(self)
962 
963  def __repr__(self):
964  r"""__repr__(ComponentHeader self) -> std::string"""
965  return _IMP_multifit.ComponentHeader___repr__(self)
966 
967  @staticmethod
968  def get_from(o):
969  return _object_cast_to_ComponentHeader(o)
970 
971 
972 # Register ComponentHeader in _IMP_multifit:
973 _IMP_multifit.ComponentHeader_swigregister(ComponentHeader)
974 class AssemblyHeader(IMP.Object):
975  r"""Proxy of C++ IMP::multifit::AssemblyHeader class."""
976 
977  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
978 
979  def __init__(self):
980  r"""__init__(AssemblyHeader self) -> AssemblyHeader"""
981  _IMP_multifit.AssemblyHeader_swiginit(self, _IMP_multifit.new_AssemblyHeader())
982 
983  def set_dens_fn(self, dens_fn):
984  r"""set_dens_fn(AssemblyHeader self, std::string const & dens_fn)"""
985  return _IMP_multifit.AssemblyHeader_set_dens_fn(self, dens_fn)
986 
987  def get_dens_fn(self):
988  r"""get_dens_fn(AssemblyHeader self) -> std::string"""
989  return _IMP_multifit.AssemblyHeader_get_dens_fn(self)
990 
991  def set_resolution(self, res):
992  r"""set_resolution(AssemblyHeader self, float res)"""
993  return _IMP_multifit.AssemblyHeader_set_resolution(self, res)
994 
995  def get_resolution(self):
996  r"""get_resolution(AssemblyHeader self) -> float"""
997  return _IMP_multifit.AssemblyHeader_get_resolution(self)
998 
999  def get_spacing(self):
1000  r"""get_spacing(AssemblyHeader self) -> float"""
1001  return _IMP_multifit.AssemblyHeader_get_spacing(self)
1002 
1003  def set_spacing(self, spacing):
1004  r"""set_spacing(AssemblyHeader self, float spacing)"""
1005  return _IMP_multifit.AssemblyHeader_set_spacing(self, spacing)
1006 
1007  def set_threshold(self, t):
1008  r"""set_threshold(AssemblyHeader self, float t)"""
1009  return _IMP_multifit.AssemblyHeader_set_threshold(self, t)
1010 
1011  def get_threshold(self):
1012  r"""get_threshold(AssemblyHeader self) -> float"""
1013  return _IMP_multifit.AssemblyHeader_get_threshold(self)
1014 
1015  def get_origin(self):
1016  r"""get_origin(AssemblyHeader self) -> Vector3D"""
1017  return _IMP_multifit.AssemblyHeader_get_origin(self)
1018 
1019  def set_origin(self, origin):
1020  r"""set_origin(AssemblyHeader self, Vector3D origin)"""
1021  return _IMP_multifit.AssemblyHeader_set_origin(self, origin)
1022 
1023  def get_coarse_ap_fn(self):
1024  r"""get_coarse_ap_fn(AssemblyHeader self) -> std::string"""
1025  return _IMP_multifit.AssemblyHeader_get_coarse_ap_fn(self)
1026 
1027  def set_coarse_ap_fn(self, new_fn):
1028  r"""set_coarse_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
1029  return _IMP_multifit.AssemblyHeader_set_coarse_ap_fn(self, new_fn)
1030 
1031  def get_coarse_over_sampled_ap_fn(self):
1032  r"""get_coarse_over_sampled_ap_fn(AssemblyHeader self) -> std::string"""
1033  return _IMP_multifit.AssemblyHeader_get_coarse_over_sampled_ap_fn(self)
1034 
1035  def set_coarse_over_sampled_ap_fn(self, new_fn):
1036  r"""set_coarse_over_sampled_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
1037  return _IMP_multifit.AssemblyHeader_set_coarse_over_sampled_ap_fn(self, new_fn)
1038 
1039  def get_fine_ap_fn(self):
1040  r"""get_fine_ap_fn(AssemblyHeader self) -> std::string"""
1041  return _IMP_multifit.AssemblyHeader_get_fine_ap_fn(self)
1042 
1043  def set_fine_ap_fn(self, new_fn):
1044  r"""set_fine_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
1045  return _IMP_multifit.AssemblyHeader_set_fine_ap_fn(self, new_fn)
1046 
1047  def get_fine_over_sampled_ap_fn(self):
1048  r"""get_fine_over_sampled_ap_fn(AssemblyHeader self) -> std::string"""
1049  return _IMP_multifit.AssemblyHeader_get_fine_over_sampled_ap_fn(self)
1050 
1051  def set_fine_over_sampled_ap_fn(self, new_fn):
1052  r"""set_fine_over_sampled_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
1053  return _IMP_multifit.AssemblyHeader_set_fine_over_sampled_ap_fn(self, new_fn)
1054 
1055  def get_version_info(self):
1056  r"""get_version_info(AssemblyHeader self) -> VersionInfo"""
1057  return _IMP_multifit.AssemblyHeader_get_version_info(self)
1058  __swig_destroy__ = _IMP_multifit.delete_AssemblyHeader
1059 
1060  def __str__(self):
1061  r"""__str__(AssemblyHeader self) -> std::string"""
1062  return _IMP_multifit.AssemblyHeader___str__(self)
1063 
1064  def __repr__(self):
1065  r"""__repr__(AssemblyHeader self) -> std::string"""
1066  return _IMP_multifit.AssemblyHeader___repr__(self)
1067 
1068  @staticmethod
1069  def get_from(o):
1070  return _object_cast_to_AssemblyHeader(o)
1071 
1072 
1073 # Register AssemblyHeader in _IMP_multifit:
1074 _IMP_multifit.AssemblyHeader_swigregister(AssemblyHeader)
1075 class SettingsData(IMP.Object):
1076  r"""Proxy of C++ IMP::multifit::SettingsData class."""
1077 
1078  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1079 
1080  def __init__(self):
1081  r"""__init__(SettingsData self) -> SettingsData"""
1082  _IMP_multifit.SettingsData_swiginit(self, _IMP_multifit.new_SettingsData())
1083 
1084  @staticmethod
1085  def show_component_header_line(*args):
1086  r"""show_component_header_line(_ostream out=std::cout)"""
1087  return _IMP_multifit.SettingsData_show_component_header_line(*args)
1088 
1089  @staticmethod
1090  def get_component_header_line():
1091  r"""get_component_header_line() -> std::string"""
1092  return _IMP_multifit.SettingsData_get_component_header_line()
1093 
1094  @staticmethod
1095  def show_density_header_line(*args):
1096  r"""show_density_header_line(_ostream out=std::cout)"""
1097  return _IMP_multifit.SettingsData_show_density_header_line(*args)
1098 
1099  @staticmethod
1100  def get_density_header_line():
1101  r"""get_density_header_line() -> std::string"""
1102  return _IMP_multifit.SettingsData_get_density_header_line()
1103 
1104  def set_assembly_filename(self, fn):
1105  r"""set_assembly_filename(SettingsData self, std::string const & fn)"""
1106  return _IMP_multifit.SettingsData_set_assembly_filename(self, fn)
1107 
1108  def get_assembly_filename(self):
1109  r"""get_assembly_filename(SettingsData self) -> char const *"""
1110  return _IMP_multifit.SettingsData_get_assembly_filename(self)
1111 
1112  def set_assembly_header(self, h):
1113  r"""set_assembly_header(SettingsData self, AssemblyHeader h)"""
1114  return _IMP_multifit.SettingsData_set_assembly_header(self, h)
1115 
1116  def get_assembly_header(self):
1117  r"""get_assembly_header(SettingsData self) -> AssemblyHeader"""
1118  return _IMP_multifit.SettingsData_get_assembly_header(self)
1119 
1120  def set_data_path(self, fn):
1121  r"""set_data_path(SettingsData self, std::string const & fn)"""
1122  return _IMP_multifit.SettingsData_set_data_path(self, fn)
1123 
1124  def get_data_path(self):
1125  r"""get_data_path(SettingsData self) -> std::string"""
1126  return _IMP_multifit.SettingsData_get_data_path(self)
1127 
1128  def get_version_info(self):
1129  r"""get_version_info(SettingsData self) -> VersionInfo"""
1130  return _IMP_multifit.SettingsData_get_version_info(self)
1131  __swig_destroy__ = _IMP_multifit.delete_SettingsData
1132  def __get_component_headers(self): return IMP._list_util.VarList(getdimfunc=self.get_number_of_component_headers, getfunc=self.get_component_header, erasefunc=self.erase_component_header, appendfunc=self.add_component_header, extendfunc=self.add_component_headers, clearfunc=self.clear_component_headers, indexfunc=self._python_index_component_header)
1133  def __set_component_headers(self, obj): IMP._list_util.set_varlist(self.component_headers, obj)
1134  def __del_component_headers(self): IMP._list_util.del_varlist(self.component_headers)
1135  component_headers = property(__get_component_headers, __set_component_headers, __del_component_headers, doc="List of ##ucnames")
1136 
1137  def remove_component_header(self, d):
1138  r"""remove_component_header(SettingsData self, ComponentHeader d)"""
1139  return _IMP_multifit.SettingsData_remove_component_header(self, d)
1140 
1141  def _python_index_component_header(self, d, start, stop):
1142  r"""_python_index_component_header(SettingsData self, ComponentHeader d, unsigned int start, unsigned int stop) -> unsigned int"""
1143  return _IMP_multifit.SettingsData__python_index_component_header(self, d, start, stop)
1144 
1145  def remove_component_headers(self, d):
1146  r"""remove_component_headers(SettingsData self, IMP::multifit::ComponentHeaders const & d)"""
1147  return _IMP_multifit.SettingsData_remove_component_headers(self, d)
1148 
1149  def set_component_headers(self, ps):
1150  r"""set_component_headers(SettingsData self, IMP::multifit::ComponentHeaders const & ps)"""
1151  return _IMP_multifit.SettingsData_set_component_headers(self, ps)
1152 
1153  def set_component_headers_order(self, objs):
1154  r"""set_component_headers_order(SettingsData self, IMP::multifit::ComponentHeaders const & objs)"""
1155  return _IMP_multifit.SettingsData_set_component_headers_order(self, objs)
1156 
1157  def add_component_header(self, obj):
1158  r"""add_component_header(SettingsData self, ComponentHeader obj) -> unsigned int"""
1159  return _IMP_multifit.SettingsData_add_component_header(self, obj)
1160 
1161  def add_component_headers(self, objs):
1162  r"""add_component_headers(SettingsData self, IMP::multifit::ComponentHeaders const & objs)"""
1163  return _IMP_multifit.SettingsData_add_component_headers(self, objs)
1164 
1165  def clear_component_headers(self):
1166  r"""clear_component_headers(SettingsData self)"""
1167  return _IMP_multifit.SettingsData_clear_component_headers(self)
1168 
1169  def get_number_of_component_headers(self):
1170  r"""get_number_of_component_headers(SettingsData self) -> unsigned int"""
1171  return _IMP_multifit.SettingsData_get_number_of_component_headers(self)
1172 
1173  def get_has_component_headers(self):
1174  r"""get_has_component_headers(SettingsData self) -> bool"""
1175  return _IMP_multifit.SettingsData_get_has_component_headers(self)
1176 
1177  def get_component_header(self, i):
1178  r"""get_component_header(SettingsData self, unsigned int i) -> ComponentHeader"""
1179  return _IMP_multifit.SettingsData_get_component_header(self, i)
1180 
1181  def get_component_headers(self):
1182  r"""get_component_headers(SettingsData self) -> IMP::multifit::ComponentHeaders"""
1183  return _IMP_multifit.SettingsData_get_component_headers(self)
1184 
1185  def erase_component_header(self, i):
1186  r"""erase_component_header(SettingsData self, unsigned int i)"""
1187  return _IMP_multifit.SettingsData_erase_component_header(self, i)
1188 
1189  def reserve_component_headers(self, sz):
1190  r"""reserve_component_headers(SettingsData self, unsigned int sz)"""
1191  return _IMP_multifit.SettingsData_reserve_component_headers(self, sz)
1192 
1193  def __str__(self):
1194  r"""__str__(SettingsData self) -> std::string"""
1195  return _IMP_multifit.SettingsData___str__(self)
1196 
1197  def __repr__(self):
1198  r"""__repr__(SettingsData self) -> std::string"""
1199  return _IMP_multifit.SettingsData___repr__(self)
1200 
1201  @staticmethod
1202  def get_from(o):
1203  return _object_cast_to_SettingsData(o)
1204 
1205 
1206 # Register SettingsData in _IMP_multifit:
1207 _IMP_multifit.SettingsData_swigregister(SettingsData)
1208 
1209 def read_settings(filename):
1210  r"""read_settings(char const * filename) -> SettingsData"""
1211  return _IMP_multifit.read_settings(filename)
1212 
1213 def write_settings(filename, sd):
1214  r"""write_settings(char const * filename, SettingsData sd)"""
1215  return _IMP_multifit.write_settings(filename, sd)
1216 class WeightedExcludedVolumeRestraint(IMP.Restraint):
1217  r"""Proxy of C++ IMP::multifit::WeightedExcludedVolumeRestraint class."""
1218 
1219  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1220 
1221  def __init__(self, *args):
1222  r"""__init__(WeightedExcludedVolumeRestraint self, IMP::core::RigidBodies rbs, Refiner refiner, FloatKey weight_key=IMP::atom::Mass::get_mass_key()) -> WeightedExcludedVolumeRestraint"""
1223  _IMP_multifit.WeightedExcludedVolumeRestraint_swiginit(self, _IMP_multifit.new_WeightedExcludedVolumeRestraint(*args))
1224 
1225  def do_get_inputs(self):
1226  r"""do_get_inputs(WeightedExcludedVolumeRestraint self) -> IMP::ModelObjectsTemp"""
1227  return _IMP_multifit.WeightedExcludedVolumeRestraint_do_get_inputs(self)
1228 
1229  def get_version_info(self):
1230  r"""get_version_info(WeightedExcludedVolumeRestraint self) -> VersionInfo"""
1231  return _IMP_multifit.WeightedExcludedVolumeRestraint_get_version_info(self)
1232  __swig_destroy__ = _IMP_multifit.delete_WeightedExcludedVolumeRestraint
1233 
1234  def __str__(self):
1235  r"""__str__(WeightedExcludedVolumeRestraint self) -> std::string"""
1236  return _IMP_multifit.WeightedExcludedVolumeRestraint___str__(self)
1237 
1238  def __repr__(self):
1239  r"""__repr__(WeightedExcludedVolumeRestraint self) -> std::string"""
1240  return _IMP_multifit.WeightedExcludedVolumeRestraint___repr__(self)
1241 
1242  @staticmethod
1243  def get_from(o):
1244  return _object_cast_to_WeightedExcludedVolumeRestraint(o)
1245 
1246 
1247 # Register WeightedExcludedVolumeRestraint in _IMP_multifit:
1248 _IMP_multifit.WeightedExcludedVolumeRestraint_swigregister(WeightedExcludedVolumeRestraint)
1249 class FFTFittingOutput(IMP.Object):
1250  r"""Proxy of C++ IMP::multifit::FFTFittingOutput class."""
1251 
1252  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1253 
1254  def __init__(self):
1255  r"""__init__(FFTFittingOutput self) -> FFTFittingOutput"""
1256  _IMP_multifit.FFTFittingOutput_swiginit(self, _IMP_multifit.new_FFTFittingOutput())
1257 
1258  def get_version_info(self):
1259  r"""get_version_info(FFTFittingOutput self) -> VersionInfo"""
1260  return _IMP_multifit.FFTFittingOutput_get_version_info(self)
1261  __swig_destroy__ = _IMP_multifit.delete_FFTFittingOutput
1262  best_fits_ = property(_IMP_multifit.FFTFittingOutput_best_fits__get, _IMP_multifit.FFTFittingOutput_best_fits__set, doc=r"""best_fits_ : IMP::multifit::FittingSolutionRecords""")
1263  best_trans_per_rot_ = property(_IMP_multifit.FFTFittingOutput_best_trans_per_rot__get, _IMP_multifit.FFTFittingOutput_best_trans_per_rot__set, doc=r"""best_trans_per_rot_ : IMP::multifit::FittingSolutionRecords""")
1264 
1265  def __str__(self):
1266  r"""__str__(FFTFittingOutput self) -> std::string"""
1267  return _IMP_multifit.FFTFittingOutput___str__(self)
1268 
1269  def __repr__(self):
1270  r"""__repr__(FFTFittingOutput self) -> std::string"""
1271  return _IMP_multifit.FFTFittingOutput___repr__(self)
1272 
1273  @staticmethod
1274  def get_from(o):
1275  return _object_cast_to_FFTFittingOutput(o)
1276 
1277 
1278 # Register FFTFittingOutput in _IMP_multifit:
1279 _IMP_multifit.FFTFittingOutput_swigregister(FFTFittingOutput)
1280 class FFTFitting(IMP.Object):
1281  r"""Proxy of C++ IMP::multifit::FFTFitting class."""
1282 
1283  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1284 
1285  def get_version_info(self):
1286  r"""get_version_info(FFTFitting self) -> VersionInfo"""
1287  return _IMP_multifit.FFTFitting_get_version_info(self)
1288  __swig_destroy__ = _IMP_multifit.delete_FFTFitting
1289 
1290  def __init__(self):
1291  r"""__init__(FFTFitting self) -> FFTFitting"""
1292  _IMP_multifit.FFTFitting_swiginit(self, _IMP_multifit.new_FFTFitting())
1293 
1294  def do_global_fitting(self, *args):
1295  r"""do_global_fitting(FFTFitting self, DensityMap dmap, double density_threshold, Hierarchy mol2fit, double angle_sampling_interval_rad, int num_fits_to_report, double max_clustering_translation, double max_clustering_angle, bool cluster_fits=True, int num_angle_per_voxel=1, std::string const & angles_filename="") -> FFTFittingOutput"""
1296  return _IMP_multifit.FFTFitting_do_global_fitting(self, *args)
1297 
1298  def do_local_fitting(self, *args):
1299  r"""do_local_fitting(FFTFitting self, DensityMap dmap, double density_threshold, Hierarchy mol2fit, double angle_sampling_interval_rad, double max_angle_sampling_rad, double max_translation, int num_fits_to_report, bool cluster_fits, int num_angle_per_voxel, double max_clustering_translation, double max_clustering_rotation, std::string const & angles_filename="") -> FFTFittingOutput"""
1300  return _IMP_multifit.FFTFitting_do_local_fitting(self, *args)
1301 
1302  def __str__(self):
1303  r"""__str__(FFTFitting self) -> std::string"""
1304  return _IMP_multifit.FFTFitting___str__(self)
1305 
1306  def __repr__(self):
1307  r"""__repr__(FFTFitting self) -> std::string"""
1308  return _IMP_multifit.FFTFitting___repr__(self)
1309 
1310  @staticmethod
1311  def get_from(o):
1312  return _object_cast_to_FFTFitting(o)
1313 
1314 
1315 # Register FFTFitting in _IMP_multifit:
1316 _IMP_multifit.FFTFitting_swigregister(FFTFitting)
1317 
1318 def fft_based_rigid_fitting(mol2fit, dmap, density_threshold, angle_sampling_interval_rad):
1319  r"""fft_based_rigid_fitting(Hierarchy mol2fit, DensityMap dmap, double density_threshold, double angle_sampling_interval_rad) -> IMP::multifit::FittingSolutionRecords"""
1320  return _IMP_multifit.fft_based_rigid_fitting(mol2fit, dmap, density_threshold, angle_sampling_interval_rad)
1321 
1322 def remove_background(dmap, threshold, edge_threshold):
1323  r"""remove_background(DensityMap dmap, float threshold, float edge_threshold) -> DensityMap"""
1324  return _IMP_multifit.remove_background(dmap, threshold, edge_threshold)
1325 
1326 def get_connected_components(dmap, threshold, edge_threshold):
1327  r"""get_connected_components(DensityMap dmap, float threshold, float edge_threshold) -> IMP::IntsList"""
1328  return _IMP_multifit.get_connected_components(dmap, threshold, edge_threshold)
1329 
1330 def get_segmentation(dmap, apix, density_threshold, num_means, pdb_filename, cmm_filename, seg_filename, txt_filename):
1331  r"""get_segmentation(DensityMap dmap, double apix, double density_threshold, int num_means, std::string const pdb_filename, std::string const cmm_filename, std::string const seg_filename, std::string const txt_filename)"""
1332  return _IMP_multifit.get_segmentation(dmap, apix, density_threshold, num_means, pdb_filename, cmm_filename, seg_filename, txt_filename)
1333 class ComplementarityRestraint(IMP.Restraint):
1334  r"""Proxy of C++ IMP::multifit::ComplementarityRestraint class."""
1335 
1336  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1337 
1338  def __init__(self, *args):
1339  r"""__init__(ComplementarityRestraint self, IMP::ParticlesTemp const & a, IMP::ParticlesTemp const & b, std::string name="ComplementarityRestraint %1%") -> ComplementarityRestraint"""
1340  _IMP_multifit.ComplementarityRestraint_swiginit(self, _IMP_multifit.new_ComplementarityRestraint(*args))
1341 
1342  def set_maximum_penetration_score(self, s):
1343  r"""set_maximum_penetration_score(ComplementarityRestraint self, double s)"""
1344  return _IMP_multifit.ComplementarityRestraint_set_maximum_penetration_score(self, s)
1345 
1346  def set_maximum_penetration(self, d):
1347  r"""set_maximum_penetration(ComplementarityRestraint self, double d)"""
1348  return _IMP_multifit.ComplementarityRestraint_set_maximum_penetration(self, d)
1349 
1350  def set_maximum_separation(self, s):
1351  r"""set_maximum_separation(ComplementarityRestraint self, double s)"""
1352  return _IMP_multifit.ComplementarityRestraint_set_maximum_separation(self, s)
1353 
1354  def set_complementarity_thickness(self, th):
1355  r"""set_complementarity_thickness(ComplementarityRestraint self, double th)"""
1356  return _IMP_multifit.ComplementarityRestraint_set_complementarity_thickness(self, th)
1357 
1358  def set_complementarity_value(self, th):
1359  r"""set_complementarity_value(ComplementarityRestraint self, double th)"""
1360  return _IMP_multifit.ComplementarityRestraint_set_complementarity_value(self, th)
1361 
1362  def set_interior_layer_thickness(self, th):
1363  r"""set_interior_layer_thickness(ComplementarityRestraint self, double th)"""
1364  return _IMP_multifit.ComplementarityRestraint_set_interior_layer_thickness(self, th)
1365 
1366  def set_penetration_coefficient(self, pc):
1367  r"""set_penetration_coefficient(ComplementarityRestraint self, double pc)"""
1368  return _IMP_multifit.ComplementarityRestraint_set_penetration_coefficient(self, pc)
1369 
1370  def set_complementarity_coefficient(self, cc):
1371  r"""set_complementarity_coefficient(ComplementarityRestraint self, double cc)"""
1372  return _IMP_multifit.ComplementarityRestraint_set_complementarity_coefficient(self, cc)
1373 
1374  def set_boundary_coefficient(self, bc):
1375  r"""set_boundary_coefficient(ComplementarityRestraint self, double bc)"""
1376  return _IMP_multifit.ComplementarityRestraint_set_boundary_coefficient(self, bc)
1377 
1378  def get_voxel_size(self):
1379  r"""get_voxel_size(ComplementarityRestraint self) -> float"""
1380  return _IMP_multifit.ComplementarityRestraint_get_voxel_size(self)
1381 
1382  def do_get_inputs(self):
1383  r"""do_get_inputs(ComplementarityRestraint self) -> IMP::ModelObjectsTemp"""
1384  return _IMP_multifit.ComplementarityRestraint_do_get_inputs(self)
1385 
1386  def get_version_info(self):
1387  r"""get_version_info(ComplementarityRestraint self) -> VersionInfo"""
1388  return _IMP_multifit.ComplementarityRestraint_get_version_info(self)
1389  __swig_destroy__ = _IMP_multifit.delete_ComplementarityRestraint
1390 
1391  def __str__(self):
1392  r"""__str__(ComplementarityRestraint self) -> std::string"""
1393  return _IMP_multifit.ComplementarityRestraint___str__(self)
1394 
1395  def __repr__(self):
1396  r"""__repr__(ComplementarityRestraint self) -> std::string"""
1397  return _IMP_multifit.ComplementarityRestraint___repr__(self)
1398 
1399  @staticmethod
1400  def get_from(o):
1401  return _object_cast_to_ComplementarityRestraint(o)
1402 
1403 
1404 # Register ComplementarityRestraint in _IMP_multifit:
1405 _IMP_multifit.ComplementarityRestraint_swigregister(ComplementarityRestraint)
1406 
1407 def read_fitting_solutions(fitting_fn):
1408  r"""read_fitting_solutions(char const * fitting_fn) -> IMP::multifit::FittingSolutionRecords"""
1409  return _IMP_multifit.read_fitting_solutions(fitting_fn)
1410 
1411 def write_fitting_solutions(fitting_fn, fit_sols, num_sols=-1):
1412  r"""write_fitting_solutions(char const * fitting_fn, IMP::multifit::FittingSolutionRecords const & fit_sols, int num_sols=-1)"""
1413  return _IMP_multifit.write_fitting_solutions(fitting_fn, fit_sols, num_sols)
1414 
1415 def convert_em_to_multifit_format(em_fits):
1416  r"""convert_em_to_multifit_format(FittingSolutions em_fits) -> IMP::multifit::FittingSolutionRecords"""
1417  return _IMP_multifit.convert_em_to_multifit_format(em_fits)
1418 
1419 def convert_multifit_to_em_format(multifit_fits):
1420  r"""convert_multifit_to_em_format(IMP::multifit::FittingSolutionRecords const & multifit_fits) -> FittingSolutions"""
1421  return _IMP_multifit.convert_multifit_to_em_format(multifit_fits)
1422 
1423 def convert_transformations_to_multifit_format(trans):
1424  r"""convert_transformations_to_multifit_format(IMP::algebra::Transformation3Ds const & trans) -> IMP::multifit::FittingSolutionRecords"""
1425  return _IMP_multifit.convert_transformations_to_multifit_format(trans)
1426 
1427 def convert_multifit_format_to_transformations(recs):
1428  r"""convert_multifit_format_to_transformations(IMP::multifit::FittingSolutionRecords const & recs) -> IMP::algebra::Transformation3Ds"""
1429  return _IMP_multifit.convert_multifit_format_to_transformations(recs)
1430 
1431 def get_close_to_point(fit_sols, mh, ap, dist):
1432  r"""get_close_to_point(IMP::multifit::FittingSolutionRecords const & fit_sols, Hierarchy mh, Particle ap, IMP::Float dist) -> IMP::multifit::FittingSolutionRecords"""
1433  return _IMP_multifit.get_close_to_point(fit_sols, mh, ap, dist)
1434 class ProbabilisticAnchorGraph(IMP.Object):
1435  r"""Proxy of C++ IMP::multifit::ProbabilisticAnchorGraph class."""
1436 
1437  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1438 
1439  def __init__(self, anchor_positions):
1440  r"""__init__(ProbabilisticAnchorGraph self, IMP::algebra::Vector3Ds anchor_positions) -> ProbabilisticAnchorGraph"""
1441  _IMP_multifit.ProbabilisticAnchorGraph_swiginit(self, _IMP_multifit.new_ProbabilisticAnchorGraph(anchor_positions))
1442 
1443  def add_edge(self, i, j):
1444  r"""add_edge(ProbabilisticAnchorGraph self, int i, int j)"""
1445  return _IMP_multifit.ProbabilisticAnchorGraph_add_edge(self, i, j)
1446 
1447  def set_particle_probabilities_on_anchors(self, p, sols):
1448  r"""set_particle_probabilities_on_anchors(ProbabilisticAnchorGraph self, Particle p, IMP::multifit::FittingSolutionRecords sols)"""
1449  return _IMP_multifit.ProbabilisticAnchorGraph_set_particle_probabilities_on_anchors(self, p, sols)
1450 
1451  def show(self, *args):
1452  r"""show(ProbabilisticAnchorGraph self, _ostream out=std::cout)"""
1453  return _IMP_multifit.ProbabilisticAnchorGraph_show(self, *args)
1454 
1455  def get_number_of_anchors(self):
1456  r"""get_number_of_anchors(ProbabilisticAnchorGraph self) -> unsigned int"""
1457  return _IMP_multifit.ProbabilisticAnchorGraph_get_number_of_anchors(self)
1458 
1459  def get_number_of_edges(self):
1460  r"""get_number_of_edges(ProbabilisticAnchorGraph self) -> unsigned int"""
1461  return _IMP_multifit.ProbabilisticAnchorGraph_get_number_of_edges(self)
1462 
1463  def get_edge_list(self):
1464  r"""get_edge_list(ProbabilisticAnchorGraph self) -> IMP::IntRanges"""
1465  return _IMP_multifit.ProbabilisticAnchorGraph_get_edge_list(self)
1466 
1467  def get_anchors(self):
1468  r"""get_anchors(ProbabilisticAnchorGraph self) -> IMP::algebra::Vector3Ds"""
1469  return _IMP_multifit.ProbabilisticAnchorGraph_get_anchors(self)
1470 
1471  def get_particle_anchors(self, p, min_prob=0):
1472  r"""get_particle_anchors(ProbabilisticAnchorGraph self, Particle p, float min_prob=0) -> IMP::algebra::Vector3Ds"""
1473  return _IMP_multifit.ProbabilisticAnchorGraph_get_particle_anchors(self, p, min_prob)
1474 
1475  def get_are_probabilities_for_particle_set(self, p):
1476  r"""get_are_probabilities_for_particle_set(ProbabilisticAnchorGraph self, Particle p) -> bool"""
1477  return _IMP_multifit.ProbabilisticAnchorGraph_get_are_probabilities_for_particle_set(self, p)
1478 
1479  def get_particle_probabilities(self, p):
1480  r"""get_particle_probabilities(ProbabilisticAnchorGraph self, Particle p) -> IMP::Floats"""
1481  return _IMP_multifit.ProbabilisticAnchorGraph_get_particle_probabilities(self, p)
1482 
1483  def get_version_info(self):
1484  r"""get_version_info(ProbabilisticAnchorGraph self) -> VersionInfo"""
1485  return _IMP_multifit.ProbabilisticAnchorGraph_get_version_info(self)
1486  __swig_destroy__ = _IMP_multifit.delete_ProbabilisticAnchorGraph
1487 
1488  def __str__(self):
1489  r"""__str__(ProbabilisticAnchorGraph self) -> std::string"""
1490  return _IMP_multifit.ProbabilisticAnchorGraph___str__(self)
1491 
1492  def __repr__(self):
1493  r"""__repr__(ProbabilisticAnchorGraph self) -> std::string"""
1494  return _IMP_multifit.ProbabilisticAnchorGraph___repr__(self)
1495 
1496  @staticmethod
1497  def get_from(o):
1498  return _object_cast_to_ProbabilisticAnchorGraph(o)
1499 
1500 
1501 # Register ProbabilisticAnchorGraph in _IMP_multifit:
1502 _IMP_multifit.ProbabilisticAnchorGraph_swigregister(ProbabilisticAnchorGraph)
1503 class ProteinRecordData(object):
1504  r"""Proxy of C++ IMP::multifit::ProteinRecordData class."""
1505 
1506  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1507 
1508  def reset_all(self):
1509  r"""reset_all(ProteinRecordData self)"""
1510  return _IMP_multifit.ProteinRecordData_reset_all(self)
1511 
1512  def __init__(self, *args):
1513  r"""
1514  __init__(ProteinRecordData self) -> ProteinRecordData
1515  __init__(ProteinRecordData self, std::string const & name) -> ProteinRecordData
1516  __init__(ProteinRecordData self, std::string const & name, std::string const fn) -> ProteinRecordData
1517  __init__(ProteinRecordData self, std::string const & name, int start_res, int end_res, std::string const fn) -> ProteinRecordData
1518  __init__(ProteinRecordData self, std::string const & name, int start_res, int end_res, std::string const & fn, std::string const & surface_fn, std::string const & ref_fn) -> ProteinRecordData
1519  """
1520  _IMP_multifit.ProteinRecordData_swiginit(self, _IMP_multifit.new_ProteinRecordData(*args))
1521 
1522  def show(self, *args):
1523  r"""show(ProteinRecordData self, _ostream out=std::cout)"""
1524  return _IMP_multifit.ProteinRecordData_show(self, *args)
1525  name_ = property(_IMP_multifit.ProteinRecordData_name__get, _IMP_multifit.ProteinRecordData_name__set, doc=r"""name_ : std::string""")
1526  start_res_ = property(_IMP_multifit.ProteinRecordData_start_res__get, _IMP_multifit.ProteinRecordData_start_res__set, doc=r"""start_res_ : int""")
1527  end_res_ = property(_IMP_multifit.ProteinRecordData_end_res__get, _IMP_multifit.ProteinRecordData_end_res__set, doc=r"""end_res_ : int""")
1528  filename_ = property(_IMP_multifit.ProteinRecordData_filename__get, _IMP_multifit.ProteinRecordData_filename__set, doc=r"""filename_ : std::string""")
1529  surface_filename_ = property(_IMP_multifit.ProteinRecordData_surface_filename__get, _IMP_multifit.ProteinRecordData_surface_filename__set, doc=r"""surface_filename_ : std::string""")
1530  ref_filename_ = property(_IMP_multifit.ProteinRecordData_ref_filename__get, _IMP_multifit.ProteinRecordData_ref_filename__set, doc=r"""ref_filename_ : std::string""")
1531 
1532  def __str__(self):
1533  r"""__str__(ProteinRecordData self) -> std::string"""
1534  return _IMP_multifit.ProteinRecordData___str__(self)
1535 
1536  def __repr__(self):
1537  r"""__repr__(ProteinRecordData self) -> std::string"""
1538  return _IMP_multifit.ProteinRecordData___repr__(self)
1539 
1540  def _get_as_binary(self):
1541  r"""_get_as_binary(ProteinRecordData self) -> PyObject *"""
1542  return _IMP_multifit.ProteinRecordData__get_as_binary(self)
1543 
1544  def _set_from_binary(self, p):
1545  r"""_set_from_binary(ProteinRecordData self, PyObject * p)"""
1546  return _IMP_multifit.ProteinRecordData__set_from_binary(self, p)
1547 
1548  def __getstate__(self):
1549  p = self._get_as_binary()
1550  if len(self.__dict__) > 1:
1551  d = self.__dict__.copy()
1552  del d['this']
1553  p = (d, p)
1554  return p
1555 
1556  def __setstate__(self, p):
1557  if not hasattr(self, 'this'):
1558  self.__init__()
1559  if isinstance(p, tuple):
1560  d, p = p
1561  self.__dict__.update(d)
1562  return self._set_from_binary(p)
1563 
1564  __swig_destroy__ = _IMP_multifit.delete_ProteinRecordData
1565 
1566 # Register ProteinRecordData in _IMP_multifit:
1567 _IMP_multifit.ProteinRecordData_swigregister(ProteinRecordData)
1568 class ProteomicsData(IMP.Object):
1569  r"""Proxy of C++ IMP::multifit::ProteomicsData class."""
1570 
1571  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1572 
1573  def __init__(self):
1574  r"""__init__(ProteomicsData self) -> ProteomicsData"""
1575  _IMP_multifit.ProteomicsData_swiginit(self, _IMP_multifit.new_ProteomicsData())
1576 
1577  def add_protein(self, *args):
1578  r"""
1579  add_protein(ProteomicsData self, std::string name, int start_res, int end_res, std::string const & mol_fn, std::string const & surface_fn, std::string const & ref_fn) -> int
1580  add_protein(ProteomicsData self, ProteinRecordData rec) -> int
1581  """
1582  return _IMP_multifit.ProteomicsData_add_protein(self, *args)
1583 
1584  def find(self, name):
1585  r"""find(ProteomicsData self, std::string const & name) -> int"""
1586  return _IMP_multifit.ProteomicsData_find(self, name)
1587 
1588  def add_interaction(self, ii, used_for_filter, linker_len):
1589  r"""add_interaction(ProteomicsData self, IMP::Ints const & ii, bool used_for_filter, float linker_len)"""
1590  return _IMP_multifit.ProteomicsData_add_interaction(self, ii, used_for_filter, linker_len)
1591 
1592  def add_cross_link_interaction(self, prot1, res1, prot2, res2, used_in_filter, linker_len):
1593  r"""add_cross_link_interaction(ProteomicsData self, IMP::Int prot1, IMP::Int res1, IMP::Int prot2, IMP::Int res2, bool used_in_filter, IMP::Float linker_len)"""
1594  return _IMP_multifit.ProteomicsData_add_cross_link_interaction(self, prot1, res1, prot2, res2, used_in_filter, linker_len)
1595 
1596  def add_ev_pair(self, prot1, prot2):
1597  r"""add_ev_pair(ProteomicsData self, IMP::Int prot1, IMP::Int prot2)"""
1598  return _IMP_multifit.ProteomicsData_add_ev_pair(self, prot1, prot2)
1599 
1600  def get_number_of_proteins(self):
1601  r"""get_number_of_proteins(ProteomicsData self) -> int"""
1602  return _IMP_multifit.ProteomicsData_get_number_of_proteins(self)
1603 
1604  def get_number_of_interactions(self):
1605  r"""get_number_of_interactions(ProteomicsData self) -> int"""
1606  return _IMP_multifit.ProteomicsData_get_number_of_interactions(self)
1607 
1608  def get_interaction(self, interaction_ind):
1609  r"""get_interaction(ProteomicsData self, int interaction_ind) -> IMP::Ints"""
1610  return _IMP_multifit.ProteomicsData_get_interaction(self, interaction_ind)
1611 
1612  def get_interaction_part_of_filter(self, interaction_ind):
1613  r"""get_interaction_part_of_filter(ProteomicsData self, int interaction_ind) -> bool"""
1614  return _IMP_multifit.ProteomicsData_get_interaction_part_of_filter(self, interaction_ind)
1615 
1616  def get_interaction_linker_length(self, interaction_ind):
1617  r"""get_interaction_linker_length(ProteomicsData self, int interaction_ind) -> int"""
1618  return _IMP_multifit.ProteomicsData_get_interaction_linker_length(self, interaction_ind)
1619 
1620  def get_number_of_cross_links(self):
1621  r"""get_number_of_cross_links(ProteomicsData self) -> int"""
1622  return _IMP_multifit.ProteomicsData_get_number_of_cross_links(self)
1623 
1624  def get_cross_link(self, xlink_ind):
1625  r"""get_cross_link(ProteomicsData self, int xlink_ind) -> std::pair< IMP::IntPair,IMP::IntPair >"""
1626  return _IMP_multifit.ProteomicsData_get_cross_link(self, xlink_ind)
1627 
1628  def get_cross_link_part_of_filter(self, xlink_ind):
1629  r"""get_cross_link_part_of_filter(ProteomicsData self, int xlink_ind) -> bool"""
1630  return _IMP_multifit.ProteomicsData_get_cross_link_part_of_filter(self, xlink_ind)
1631 
1632  def get_cross_link_length(self, xlink_ind):
1633  r"""get_cross_link_length(ProteomicsData self, int xlink_ind) -> float"""
1634  return _IMP_multifit.ProteomicsData_get_cross_link_length(self, xlink_ind)
1635 
1636  def get_number_of_ev_pairs(self):
1637  r"""get_number_of_ev_pairs(ProteomicsData self) -> int"""
1638  return _IMP_multifit.ProteomicsData_get_number_of_ev_pairs(self)
1639 
1640  def get_ev_pair(self, ev_ind):
1641  r"""get_ev_pair(ProteomicsData self, int ev_ind) -> IMP::IntPair"""
1642  return _IMP_multifit.ProteomicsData_get_ev_pair(self, ev_ind)
1643 
1644  def get_protein_name(self, protein_ind):
1645  r"""get_protein_name(ProteomicsData self, int protein_ind) -> std::string"""
1646  return _IMP_multifit.ProteomicsData_get_protein_name(self, protein_ind)
1647 
1648  def get_end_res(self, protein_ind):
1649  r"""get_end_res(ProteomicsData self, int protein_ind) -> int"""
1650  return _IMP_multifit.ProteomicsData_get_end_res(self, protein_ind)
1651 
1652  def get_start_res(self, protein_ind):
1653  r"""get_start_res(ProteomicsData self, int protein_ind) -> int"""
1654  return _IMP_multifit.ProteomicsData_get_start_res(self, protein_ind)
1655 
1656  def get_protein_filename(self, protein_ind):
1657  r"""get_protein_filename(ProteomicsData self, int protein_ind) -> std::string"""
1658  return _IMP_multifit.ProteomicsData_get_protein_filename(self, protein_ind)
1659 
1660  def get_reference_filename(self, protein_ind):
1661  r"""get_reference_filename(ProteomicsData self, int protein_ind) -> std::string"""
1662  return _IMP_multifit.ProteomicsData_get_reference_filename(self, protein_ind)
1663 
1664  def get_surface_filename(self, protein_ind):
1665  r"""get_surface_filename(ProteomicsData self, int protein_ind) -> std::string"""
1666  return _IMP_multifit.ProteomicsData_get_surface_filename(self, protein_ind)
1667 
1668  def get_protein_data(self, protein_ind):
1669  r"""get_protein_data(ProteomicsData self, int protein_ind) -> ProteinRecordData"""
1670  return _IMP_multifit.ProteomicsData_get_protein_data(self, protein_ind)
1671 
1672  def get_version_info(self):
1673  r"""get_version_info(ProteomicsData self) -> VersionInfo"""
1674  return _IMP_multifit.ProteomicsData_get_version_info(self)
1675  __swig_destroy__ = _IMP_multifit.delete_ProteomicsData
1676 
1677  def get_num_allowed_violated_interactions(self):
1678  r"""get_num_allowed_violated_interactions(ProteomicsData self) -> int"""
1679  return _IMP_multifit.ProteomicsData_get_num_allowed_violated_interactions(self)
1680 
1681  def set_num_allowed_violated_interactions(self, n):
1682  r"""set_num_allowed_violated_interactions(ProteomicsData self, int n)"""
1683  return _IMP_multifit.ProteomicsData_set_num_allowed_violated_interactions(self, n)
1684 
1685  def get_num_allowed_violated_cross_links(self):
1686  r"""get_num_allowed_violated_cross_links(ProteomicsData self) -> int"""
1687  return _IMP_multifit.ProteomicsData_get_num_allowed_violated_cross_links(self)
1688 
1689  def set_num_allowed_violated_cross_links(self, n):
1690  r"""set_num_allowed_violated_cross_links(ProteomicsData self, int n)"""
1691  return _IMP_multifit.ProteomicsData_set_num_allowed_violated_cross_links(self, n)
1692 
1693  def get_num_allowed_violated_ev(self):
1694  r"""get_num_allowed_violated_ev(ProteomicsData self) -> int"""
1695  return _IMP_multifit.ProteomicsData_get_num_allowed_violated_ev(self)
1696 
1697  def set_num_allowed_violated_ev(self, n):
1698  r"""set_num_allowed_violated_ev(ProteomicsData self, int n)"""
1699  return _IMP_multifit.ProteomicsData_set_num_allowed_violated_ev(self, n)
1700 
1701  def __str__(self):
1702  r"""__str__(ProteomicsData self) -> std::string"""
1703  return _IMP_multifit.ProteomicsData___str__(self)
1704 
1705  def __repr__(self):
1706  r"""__repr__(ProteomicsData self) -> std::string"""
1707  return _IMP_multifit.ProteomicsData___repr__(self)
1708 
1709  @staticmethod
1710  def get_from(o):
1711  return _object_cast_to_ProteomicsData(o)
1712 
1713 
1714 # Register ProteomicsData in _IMP_multifit:
1715 _IMP_multifit.ProteomicsData_swigregister(ProteomicsData)
1716 
1717 def read_proteomics_data(proteomics_fn):
1718  r"""read_proteomics_data(char const * proteomics_fn) -> ProteomicsData"""
1719  return _IMP_multifit.read_proteomics_data(proteomics_fn)
1720 
1721 def get_partial_proteomics_data(pd, prot_names):
1722  r"""get_partial_proteomics_data(ProteomicsData pd, IMP::Strings const & prot_names) -> ProteomicsData"""
1723  return _IMP_multifit.get_partial_proteomics_data(pd, prot_names)
1724 class AnchorsData(object):
1725  r"""Proxy of C++ IMP::multifit::AnchorsData class."""
1726 
1727  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1728 
1729  def __init__(self, *args):
1730  r"""
1731  __init__(AnchorsData self) -> AnchorsData
1732  __init__(AnchorsData self, IMP::algebra::Vector3Ds points, IMP::IntPairs edges) -> AnchorsData
1733  """
1734  _IMP_multifit.AnchorsData_swiginit(self, _IMP_multifit.new_AnchorsData(*args))
1735 
1736  def remove_edges_for_node(self, node_ind):
1737  r"""remove_edges_for_node(AnchorsData self, int node_ind)"""
1738  return _IMP_multifit.AnchorsData_remove_edges_for_node(self, node_ind)
1739 
1740  def get_number_of_points(self):
1741  r"""get_number_of_points(AnchorsData self) -> int"""
1742  return _IMP_multifit.AnchorsData_get_number_of_points(self)
1743 
1744  def get_number_of_edges(self):
1745  r"""get_number_of_edges(AnchorsData self) -> int"""
1746  return _IMP_multifit.AnchorsData_get_number_of_edges(self)
1747 
1748  def get_is_point_considered(self, node_ind):
1749  r"""get_is_point_considered(AnchorsData self, int node_ind) -> bool"""
1750  return _IMP_multifit.AnchorsData_get_is_point_considered(self, node_ind)
1751 
1752  def show(self, *args):
1753  r"""show(AnchorsData self, _ostream out=std::cout)"""
1754  return _IMP_multifit.AnchorsData_show(self, *args)
1755 
1756  def get_secondary_structure_is_set(self):
1757  r"""get_secondary_structure_is_set(AnchorsData self) -> bool"""
1758  return _IMP_multifit.AnchorsData_get_secondary_structure_is_set(self)
1759 
1760  def setup_secondary_structure(self, mdl):
1761  r"""setup_secondary_structure(AnchorsData self, Model mdl)"""
1762  return _IMP_multifit.AnchorsData_setup_secondary_structure(self, mdl)
1763 
1764  def set_secondary_structure_probabilities(self, *args):
1765  r"""set_secondary_structure_probabilities(AnchorsData self, IMP::Particles const & ssres_ps, IMP::Ints const & indices=IMP::Ints())"""
1766  return _IMP_multifit.AnchorsData_set_secondary_structure_probabilities(self, *args)
1767 
1768  def get_secondary_structure_particles(self):
1769  r"""get_secondary_structure_particles(AnchorsData self) -> IMP::Particles"""
1770  return _IMP_multifit.AnchorsData_get_secondary_structure_particles(self)
1771  points_ = property(_IMP_multifit.AnchorsData_points__get, _IMP_multifit.AnchorsData_points__set, doc=r"""points_ : IMP::algebra::Vector3Ds""")
1772  consider_point_ = property(_IMP_multifit.AnchorsData_consider_point__get, _IMP_multifit.AnchorsData_consider_point__set, doc=r"""consider_point_ : std::vector<(bool,std::allocator<(bool)>)>""")
1773  edges_ = property(_IMP_multifit.AnchorsData_edges__get, _IMP_multifit.AnchorsData_edges__set, doc=r"""edges_ : IMP::IntPairs""")
1774 
1775  def __str__(self):
1776  r"""__str__(AnchorsData self) -> std::string"""
1777  return _IMP_multifit.AnchorsData___str__(self)
1778 
1779  def __repr__(self):
1780  r"""__repr__(AnchorsData self) -> std::string"""
1781  return _IMP_multifit.AnchorsData___repr__(self)
1782  __swig_destroy__ = _IMP_multifit.delete_AnchorsData
1783 
1784 # Register AnchorsData in _IMP_multifit:
1785 _IMP_multifit.AnchorsData_swigregister(AnchorsData)
1786 
1787 def read_anchors_data(txt_filename):
1788  r"""read_anchors_data(char const * txt_filename) -> AnchorsData"""
1789  return _IMP_multifit.read_anchors_data(txt_filename)
1790 
1791 def write_txt(txt_filename, ad):
1792  r"""write_txt(std::string const & txt_filename, AnchorsData ad)"""
1793  return _IMP_multifit.write_txt(txt_filename, ad)
1794 
1795 def write_cmm(cmm_filename, marker_set_name, dpa):
1796  r"""write_cmm(std::string const & cmm_filename, std::string const & marker_set_name, AnchorsData dpa)"""
1797  return _IMP_multifit.write_cmm(cmm_filename, marker_set_name, dpa)
1798 
1799 def create_coarse_molecule_from_density(dmap, dens_threshold, num_beads, mdl, bead_radius):
1800  r"""create_coarse_molecule_from_density(DensityMap dmap, float dens_threshold, int num_beads, Model mdl, float bead_radius) -> Hierarchy"""
1801  return _IMP_multifit.create_coarse_molecule_from_density(dmap, dens_threshold, num_beads, mdl, bead_radius)
1802 
1803 def create_hit_map(rb, rb_ref, sols, damp):
1804  r"""create_hit_map(RigidBody rb, Refiner rb_ref, IMP::multifit::FittingSolutionRecords const & sols, DensityMap damp) -> DensityMap"""
1805  return _IMP_multifit.create_hit_map(rb, rb_ref, sols, damp)
1806 
1807 def get_points_close_to_molecule(mh, points, max_dist):
1808  r"""get_points_close_to_molecule(Hierarchy mh, IMP::algebra::Vector3Ds const points, IMP::Float max_dist) -> IMP::algebra::Vector3Ds"""
1809  return _IMP_multifit.get_points_close_to_molecule(mh, points, max_dist)
1810 
1811 def get_points_far_from_molecule(mh, points, max_dist):
1812  r"""get_points_far_from_molecule(Hierarchy mh, IMP::algebra::Vector3Ds const points, IMP::Float max_dist) -> IMP::algebra::Vector3Ds"""
1813  return _IMP_multifit.get_points_far_from_molecule(mh, points, max_dist)
1814 class RadiusOfGyrationRestraint(IMP.Restraint):
1815  r"""Proxy of C++ IMP::multifit::RadiusOfGyrationRestraint class."""
1816 
1817  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1818 
1819  def __init__(self, ps, num_residues, scale=1.):
1820  r"""__init__(RadiusOfGyrationRestraint self, IMP::Particles ps, int num_residues, IMP::Float scale=1.) -> RadiusOfGyrationRestraint"""
1821  _IMP_multifit.RadiusOfGyrationRestraint_swiginit(self, _IMP_multifit.new_RadiusOfGyrationRestraint(ps, num_residues, scale))
1822 
1823  def do_get_inputs(self):
1824  r"""do_get_inputs(RadiusOfGyrationRestraint self) -> IMP::ModelObjectsTemp"""
1825  return _IMP_multifit.RadiusOfGyrationRestraint_do_get_inputs(self)
1826 
1827  def get_version_info(self):
1828  r"""get_version_info(RadiusOfGyrationRestraint self) -> VersionInfo"""
1829  return _IMP_multifit.RadiusOfGyrationRestraint_get_version_info(self)
1830  __swig_destroy__ = _IMP_multifit.delete_RadiusOfGyrationRestraint
1831 
1832  def set_radius_of_gyration(self, r):
1833  r"""set_radius_of_gyration(RadiusOfGyrationRestraint self, IMP::Float r)"""
1834  return _IMP_multifit.RadiusOfGyrationRestraint_set_radius_of_gyration(self, r)
1835 
1836  def get_radius_of_gyration(self):
1837  r"""get_radius_of_gyration(RadiusOfGyrationRestraint self) -> IMP::Float"""
1838  return _IMP_multifit.RadiusOfGyrationRestraint_get_radius_of_gyration(self)
1839 
1840  def __str__(self):
1841  r"""__str__(RadiusOfGyrationRestraint self) -> std::string"""
1842  return _IMP_multifit.RadiusOfGyrationRestraint___str__(self)
1843 
1844  def __repr__(self):
1845  r"""__repr__(RadiusOfGyrationRestraint self) -> std::string"""
1846  return _IMP_multifit.RadiusOfGyrationRestraint___repr__(self)
1847 
1848  @staticmethod
1849  def get_from(o):
1850  return _object_cast_to_RadiusOfGyrationRestraint(o)
1851 
1852 
1853 # Register RadiusOfGyrationRestraint in _IMP_multifit:
1854 _IMP_multifit.RadiusOfGyrationRestraint_swigregister(RadiusOfGyrationRestraint)
1855 
1856 def get_approximated_radius_of_gyration(len):
1857  r"""get_approximated_radius_of_gyration(int len) -> float"""
1858  return _IMP_multifit.get_approximated_radius_of_gyration(len)
1859 
1860 def get_actual_radius_of_gyration(ps):
1861  r"""get_actual_radius_of_gyration(IMP::ParticlesTemp ps) -> float"""
1862  return _IMP_multifit.get_actual_radius_of_gyration(ps)
1863 
1864 def get_approximated_radius(len):
1865  r"""get_approximated_radius(int len) -> float"""
1866  return _IMP_multifit.get_approximated_radius(len)
1867 class ProteinsAnchorsSamplingSpace(object):
1868  r"""Proxy of C++ IMP::multifit::ProteinsAnchorsSamplingSpace class."""
1869 
1870  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1871 
1872  def __init__(self, prots=None):
1873  r"""__init__(ProteinsAnchorsSamplingSpace self, ProteomicsData prots=None) -> ProteinsAnchorsSamplingSpace"""
1874  _IMP_multifit.ProteinsAnchorsSamplingSpace_swiginit(self, _IMP_multifit.new_ProteinsAnchorsSamplingSpace(prots))
1875 
1876  def set_anchors(self, data):
1877  r"""set_anchors(ProteinsAnchorsSamplingSpace self, AnchorsData data)"""
1878  return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_anchors(self, data)
1879 
1880  def get_anchors(self):
1881  r"""get_anchors(ProteinsAnchorsSamplingSpace self) -> AnchorsData"""
1882  return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_anchors(self)
1883 
1884  def get_anchors_filename(self):
1885  r"""get_anchors_filename(ProteinsAnchorsSamplingSpace self) -> std::string"""
1886  return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_anchors_filename(self)
1887 
1888  def set_anchors_filename(self, fn):
1889  r"""set_anchors_filename(ProteinsAnchorsSamplingSpace self, std::string const & fn)"""
1890  return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_anchors_filename(self, fn)
1891 
1892  def get_proteomics_data(self):
1893  r"""get_proteomics_data(ProteinsAnchorsSamplingSpace self) -> ProteomicsData"""
1894  return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_proteomics_data(self)
1895 
1896  def add_protein(self, rec):
1897  r"""add_protein(ProteinsAnchorsSamplingSpace self, ProteinRecordData rec)"""
1898  return _IMP_multifit.ProteinsAnchorsSamplingSpace_add_protein(self, rec)
1899 
1900  def get_paths_for_protein(self, prot_name):
1901  r"""get_paths_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name) -> IMP::IntsList"""
1902  return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_paths_for_protein(self, prot_name)
1903 
1904  def set_paths_filename_for_protein(self, prot_name, paths_filename):
1905  r"""set_paths_filename_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name, std::string const & paths_filename)"""
1906  return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_paths_filename_for_protein(self, prot_name, paths_filename)
1907 
1908  def get_paths_filename_for_protein(self, prot_name):
1909  r"""get_paths_filename_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name) -> std::string"""
1910  return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_paths_filename_for_protein(self, prot_name)
1911 
1912  def set_paths_for_protein(self, prot_name, paths):
1913  r"""set_paths_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name, IMP::IntsList paths)"""
1914  return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_paths_for_protein(self, prot_name, paths)
1915 
1916  def show(self, *args):
1917  r"""show(ProteinsAnchorsSamplingSpace self, _ostream s=std::cout)"""
1918  return _IMP_multifit.ProteinsAnchorsSamplingSpace_show(self, *args)
1919 
1920  def __str__(self):
1921  r"""__str__(ProteinsAnchorsSamplingSpace self) -> std::string"""
1922  return _IMP_multifit.ProteinsAnchorsSamplingSpace___str__(self)
1923 
1924  def __repr__(self):
1925  r"""__repr__(ProteinsAnchorsSamplingSpace self) -> std::string"""
1926  return _IMP_multifit.ProteinsAnchorsSamplingSpace___repr__(self)
1927  __swig_destroy__ = _IMP_multifit.delete_ProteinsAnchorsSamplingSpace
1928 
1929 # Register ProteinsAnchorsSamplingSpace in _IMP_multifit:
1930 _IMP_multifit.ProteinsAnchorsSamplingSpace_swigregister(ProteinsAnchorsSamplingSpace)
1931 
1932 def read_protein_anchors_mapping(*args):
1933  r"""read_protein_anchors_mapping(ProteomicsData prots, std::string const & anchors_prot_map_fn, int max_paths=INT_MAX) -> ProteinsAnchorsSamplingSpace"""
1934  return _IMP_multifit.read_protein_anchors_mapping(*args)
1935 
1936 def write_protein_anchors_mapping(*args):
1937  r"""
1938  write_protein_anchors_mapping(std::string const & anchors_prot_map_fn, std::string const & anchors_fn, std::vector< std::pair< IMP::String,IMP::String >,std::allocator< std::pair< IMP::String,IMP::String > > > const & prot_paths)
1939  write_protein_anchors_mapping(std::string const & anchors_prot_map_fn, ProteinsAnchorsSamplingSpace pa, IMP::Strings const & prot_names)
1940  """
1941  return _IMP_multifit.write_protein_anchors_mapping(*args)
1942 
1943 def get_part_of_sampling_space(prots_ss, prot_names):
1944  r"""get_part_of_sampling_space(ProteinsAnchorsSamplingSpace prots_ss, IMP::Strings const & prot_names) -> ProteinsAnchorsSamplingSpace"""
1945  return _IMP_multifit.get_part_of_sampling_space(prots_ss, prot_names)
1946 
1947 def get_partial_assembly_setting_data(prots_sd, prot_names):
1948  r"""get_partial_assembly_setting_data(SettingsData prots_sd, IMP::Strings const & prot_names) -> SettingsData"""
1949  return _IMP_multifit.get_partial_assembly_setting_data(prots_sd, prot_names)
1950 
1951 def read_paths(*args):
1952  r"""read_paths(char const * txt_filename, int max_paths=INT_MAX) -> IMP::IntsList"""
1953  return _IMP_multifit.read_paths(*args)
1954 
1955 def write_paths(paths, txt_filename):
1956  r"""write_paths(IMP::IntsList const & paths, std::string const & txt_filename)"""
1957  return _IMP_multifit.write_paths(paths, txt_filename)
1958 
1959 def molecule2anchors(mh, k):
1960  r"""molecule2anchors(Hierarchy mh, int k) -> AnchorsData"""
1961  return _IMP_multifit.molecule2anchors(mh, k)
1962 
1963 def get_anchors_for_density(dmap, number_of_means, density_threshold, pdb_filename, cmm_filename, seg_filename, txt_filename):
1964  r"""get_anchors_for_density(DensityMap dmap, int number_of_means, float density_threshold, std::string pdb_filename, std::string cmm_filename, std::string seg_filename, std::string txt_filename)"""
1965  return _IMP_multifit.get_anchors_for_density(dmap, number_of_means, density_threshold, pdb_filename, cmm_filename, seg_filename, txt_filename)
1966 
1967 def get_anchor_indices_matching_secondary_structure(ad, ssrs, max_rmsd=0.7):
1968  r"""get_anchor_indices_matching_secondary_structure(AnchorsData ad, IMP::atom::SecondaryStructureResidues const & ssrs, IMP::Float max_rmsd=0.7) -> IMP::IntsList"""
1969  return _IMP_multifit.get_anchor_indices_matching_secondary_structure(ad, ssrs, max_rmsd)
1970 class DominoParams(object):
1971  r"""Proxy of C++ IMP::multifit::DominoParams class."""
1972 
1973  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
1974 
1975  def __init__(self):
1976  r"""__init__(DominoParams self) -> DominoParams"""
1977  _IMP_multifit.DominoParams_swiginit(self, _IMP_multifit.new_DominoParams())
1978 
1979  def add(self, pt):
1980  r"""add(DominoParams self, boost::property_tree::ptree const & pt)"""
1981  return _IMP_multifit.DominoParams_add(self, pt)
1982 
1983  def show(self, *args):
1984  r"""show(DominoParams self, _ostream s=std::cout)"""
1985  return _IMP_multifit.DominoParams_show(self, *args)
1986  max_value_threshold_ = property(_IMP_multifit.DominoParams_max_value_threshold__get, _IMP_multifit.DominoParams_max_value_threshold__set, doc=r"""max_value_threshold_ : float""")
1987  max_num_states_for_subset_ = property(_IMP_multifit.DominoParams_max_num_states_for_subset__get, _IMP_multifit.DominoParams_max_num_states_for_subset__set, doc=r"""max_num_states_for_subset_ : int""")
1988  max_anchor_penetration_ = property(_IMP_multifit.DominoParams_max_anchor_penetration__get, _IMP_multifit.DominoParams_max_anchor_penetration__set, doc=r"""max_anchor_penetration_ : float""")
1989  heap_size_ = property(_IMP_multifit.DominoParams_heap_size__get, _IMP_multifit.DominoParams_heap_size__set, doc=r"""heap_size_ : int""")
1990  cache_size_ = property(_IMP_multifit.DominoParams_cache_size__get, _IMP_multifit.DominoParams_cache_size__set, doc=r"""cache_size_ : int""")
1991 
1992  def __str__(self):
1993  r"""__str__(DominoParams self) -> std::string"""
1994  return _IMP_multifit.DominoParams___str__(self)
1995 
1996  def __repr__(self):
1997  r"""__repr__(DominoParams self) -> std::string"""
1998  return _IMP_multifit.DominoParams___repr__(self)
1999 
2000  def _get_as_binary(self):
2001  r"""_get_as_binary(DominoParams self) -> PyObject *"""
2002  return _IMP_multifit.DominoParams__get_as_binary(self)
2003 
2004  def _set_from_binary(self, p):
2005  r"""_set_from_binary(DominoParams self, PyObject * p)"""
2006  return _IMP_multifit.DominoParams__set_from_binary(self, p)
2007 
2008  def __getstate__(self):
2009  p = self._get_as_binary()
2010  if len(self.__dict__) > 1:
2011  d = self.__dict__.copy()
2012  del d['this']
2013  p = (d, p)
2014  return p
2015 
2016  def __setstate__(self, p):
2017  if not hasattr(self, 'this'):
2018  self.__init__()
2019  if isinstance(p, tuple):
2020  d, p = p
2021  self.__dict__.update(d)
2022  return self._set_from_binary(p)
2023 
2024  __swig_destroy__ = _IMP_multifit.delete_DominoParams
2025 
2026 # Register DominoParams in _IMP_multifit:
2027 _IMP_multifit.DominoParams_swigregister(DominoParams)
2028 class XlinkParams(object):
2029  r"""Proxy of C++ IMP::multifit::XlinkParams class."""
2030 
2031  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
2032 
2033  def __init__(self):
2034  r"""__init__(XlinkParams self) -> XlinkParams"""
2035  _IMP_multifit.XlinkParams_swiginit(self, _IMP_multifit.new_XlinkParams())
2036 
2037  def add(self, pt):
2038  r"""add(XlinkParams self, boost::property_tree::ptree const & pt)"""
2039  return _IMP_multifit.XlinkParams_add(self, pt)
2040 
2041  def show(self, *args):
2042  r"""show(XlinkParams self, _ostream s=std::cout)"""
2043  return _IMP_multifit.XlinkParams_show(self, *args)
2044  upper_bound_ = property(_IMP_multifit.XlinkParams_upper_bound__get, _IMP_multifit.XlinkParams_upper_bound__set, doc=r"""upper_bound_ : float""")
2045  k_ = property(_IMP_multifit.XlinkParams_k__get, _IMP_multifit.XlinkParams_k__set, doc=r"""k_ : float""")
2046  max_xlink_val_ = property(_IMP_multifit.XlinkParams_max_xlink_val__get, _IMP_multifit.XlinkParams_max_xlink_val__set, doc=r"""max_xlink_val_ : float""")
2047  treat_between_residues_ = property(_IMP_multifit.XlinkParams_treat_between_residues__get, _IMP_multifit.XlinkParams_treat_between_residues__set, doc=r"""treat_between_residues_ : bool""")
2048 
2049  def __str__(self):
2050  r"""__str__(XlinkParams self) -> std::string"""
2051  return _IMP_multifit.XlinkParams___str__(self)
2052 
2053  def __repr__(self):
2054  r"""__repr__(XlinkParams self) -> std::string"""
2055  return _IMP_multifit.XlinkParams___repr__(self)
2056 
2057  def _get_as_binary(self):
2058  r"""_get_as_binary(XlinkParams self) -> PyObject *"""
2059  return _IMP_multifit.XlinkParams__get_as_binary(self)
2060 
2061  def _set_from_binary(self, p):
2062  r"""_set_from_binary(XlinkParams self, PyObject * p)"""
2063  return _IMP_multifit.XlinkParams__set_from_binary(self, p)
2064 
2065  def __getstate__(self):
2066  p = self._get_as_binary()
2067  if len(self.__dict__) > 1:
2068  d = self.__dict__.copy()
2069  del d['this']
2070  p = (d, p)
2071  return p
2072 
2073  def __setstate__(self, p):
2074  if not hasattr(self, 'this'):
2075  self.__init__()
2076  if isinstance(p, tuple):
2077  d, p = p
2078  self.__dict__.update(d)
2079  return self._set_from_binary(p)
2080 
2081  __swig_destroy__ = _IMP_multifit.delete_XlinkParams
2082 
2083 # Register XlinkParams in _IMP_multifit:
2084 _IMP_multifit.XlinkParams_swigregister(XlinkParams)
2085 class ConnectivityParams(object):
2086  r"""Proxy of C++ IMP::multifit::ConnectivityParams class."""
2087 
2088  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
2089 
2090  def __init__(self):
2091  r"""__init__(ConnectivityParams self) -> ConnectivityParams"""
2092  _IMP_multifit.ConnectivityParams_swiginit(self, _IMP_multifit.new_ConnectivityParams())
2093 
2094  def add(self, pt):
2095  r"""add(ConnectivityParams self, boost::property_tree::ptree const & pt)"""
2096  return _IMP_multifit.ConnectivityParams_add(self, pt)
2097 
2098  def show(self, *args):
2099  r"""show(ConnectivityParams self, _ostream s=std::cout)"""
2100  return _IMP_multifit.ConnectivityParams_show(self, *args)
2101  upper_bound_ = property(_IMP_multifit.ConnectivityParams_upper_bound__get, _IMP_multifit.ConnectivityParams_upper_bound__set, doc=r"""upper_bound_ : float""")
2102  k_ = property(_IMP_multifit.ConnectivityParams_k__get, _IMP_multifit.ConnectivityParams_k__set, doc=r"""k_ : float""")
2103  max_conn_rest_val_ = property(_IMP_multifit.ConnectivityParams_max_conn_rest_val__get, _IMP_multifit.ConnectivityParams_max_conn_rest_val__set, doc=r"""max_conn_rest_val_ : float""")
2104 
2105  def __str__(self):
2106  r"""__str__(ConnectivityParams self) -> std::string"""
2107  return _IMP_multifit.ConnectivityParams___str__(self)
2108 
2109  def __repr__(self):
2110  r"""__repr__(ConnectivityParams self) -> std::string"""
2111  return _IMP_multifit.ConnectivityParams___repr__(self)
2112 
2113  def _get_as_binary(self):
2114  r"""_get_as_binary(ConnectivityParams self) -> PyObject *"""
2115  return _IMP_multifit.ConnectivityParams__get_as_binary(self)
2116 
2117  def _set_from_binary(self, p):
2118  r"""_set_from_binary(ConnectivityParams self, PyObject * p)"""
2119  return _IMP_multifit.ConnectivityParams__set_from_binary(self, p)
2120 
2121  def __getstate__(self):
2122  p = self._get_as_binary()
2123  if len(self.__dict__) > 1:
2124  d = self.__dict__.copy()
2125  del d['this']
2126  p = (d, p)
2127  return p
2128 
2129  def __setstate__(self, p):
2130  if not hasattr(self, 'this'):
2131  self.__init__()
2132  if isinstance(p, tuple):
2133  d, p = p
2134  self.__dict__.update(d)
2135  return self._set_from_binary(p)
2136 
2137  __swig_destroy__ = _IMP_multifit.delete_ConnectivityParams
2138 
2139 # Register ConnectivityParams in _IMP_multifit:
2140 _IMP_multifit.ConnectivityParams_swigregister(ConnectivityParams)
2141 class FragmentsParams(object):
2142  r"""Proxy of C++ IMP::multifit::FragmentsParams class."""
2143 
2144  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
2145 
2146  def __init__(self):
2147  r"""__init__(FragmentsParams self) -> FragmentsParams"""
2148  _IMP_multifit.FragmentsParams_swiginit(self, _IMP_multifit.new_FragmentsParams())
2149 
2150  def add(self, pt):
2151  r"""add(FragmentsParams self, boost::property_tree::ptree const & pt)"""
2152  return _IMP_multifit.FragmentsParams_add(self, pt)
2153 
2154  def show(self, *args):
2155  r"""show(FragmentsParams self, _ostream s=std::cout)"""
2156  return _IMP_multifit.FragmentsParams_show(self, *args)
2157  frag_len_ = property(_IMP_multifit.FragmentsParams_frag_len__get, _IMP_multifit.FragmentsParams_frag_len__set, doc=r"""frag_len_ : int""")
2158  bead_radius_scale_ = property(_IMP_multifit.FragmentsParams_bead_radius_scale__get, _IMP_multifit.FragmentsParams_bead_radius_scale__set, doc=r"""bead_radius_scale_ : float""")
2159  load_atomic_ = property(_IMP_multifit.FragmentsParams_load_atomic__get, _IMP_multifit.FragmentsParams_load_atomic__set, doc=r"""load_atomic_ : bool""")
2160  subunit_rigid_ = property(_IMP_multifit.FragmentsParams_subunit_rigid__get, _IMP_multifit.FragmentsParams_subunit_rigid__set, doc=r"""subunit_rigid_ : bool""")
2161 
2162  def __str__(self):
2163  r"""__str__(FragmentsParams self) -> std::string"""
2164  return _IMP_multifit.FragmentsParams___str__(self)
2165 
2166  def __repr__(self):
2167  r"""__repr__(FragmentsParams self) -> std::string"""
2168  return _IMP_multifit.FragmentsParams___repr__(self)
2169 
2170  def _get_as_binary(self):
2171  r"""_get_as_binary(FragmentsParams self) -> PyObject *"""
2172  return _IMP_multifit.FragmentsParams__get_as_binary(self)
2173 
2174  def _set_from_binary(self, p):
2175  r"""_set_from_binary(FragmentsParams self, PyObject * p)"""
2176  return _IMP_multifit.FragmentsParams__set_from_binary(self, p)
2177 
2178  def __getstate__(self):
2179  p = self._get_as_binary()
2180  if len(self.__dict__) > 1:
2181  d = self.__dict__.copy()
2182  del d['this']
2183  p = (d, p)
2184  return p
2185 
2186  def __setstate__(self, p):
2187  if not hasattr(self, 'this'):
2188  self.__init__()
2189  if isinstance(p, tuple):
2190  d, p = p
2191  self.__dict__.update(d)
2192  return self._set_from_binary(p)
2193 
2194  __swig_destroy__ = _IMP_multifit.delete_FragmentsParams
2195 
2196 # Register FragmentsParams in _IMP_multifit:
2197 _IMP_multifit.FragmentsParams_swigregister(FragmentsParams)
2198 class RogParams(object):
2199  r"""Proxy of C++ IMP::multifit::RogParams class."""
2200 
2201  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
2202 
2203  def __init__(self):
2204  r"""__init__(RogParams self) -> RogParams"""
2205  _IMP_multifit.RogParams_swiginit(self, _IMP_multifit.new_RogParams())
2206 
2207  def add(self, pt):
2208  r"""add(RogParams self, boost::property_tree::ptree const & pt)"""
2209  return _IMP_multifit.RogParams_add(self, pt)
2210 
2211  def get_max_score(self):
2212  r"""get_max_score(RogParams self) -> float"""
2213  return _IMP_multifit.RogParams_get_max_score(self)
2214 
2215  def get_scale(self):
2216  r"""get_scale(RogParams self) -> float"""
2217  return _IMP_multifit.RogParams_get_scale(self)
2218 
2219  def show(self, *args):
2220  r"""show(RogParams self, _ostream s=std::cout)"""
2221  return _IMP_multifit.RogParams_show(self, *args)
2222 
2223  def __str__(self):
2224  r"""__str__(RogParams self) -> std::string"""
2225  return _IMP_multifit.RogParams___str__(self)
2226 
2227  def __repr__(self):
2228  r"""__repr__(RogParams self) -> std::string"""
2229  return _IMP_multifit.RogParams___repr__(self)
2230 
2231  def _get_as_binary(self):
2232  r"""_get_as_binary(RogParams self) -> PyObject *"""
2233  return _IMP_multifit.RogParams__get_as_binary(self)
2234 
2235  def _set_from_binary(self, p):
2236  r"""_set_from_binary(RogParams self, PyObject * p)"""
2237  return _IMP_multifit.RogParams__set_from_binary(self, p)
2238 
2239  def __getstate__(self):
2240  p = self._get_as_binary()
2241  if len(self.__dict__) > 1:
2242  d = self.__dict__.copy()
2243  del d['this']
2244  p = (d, p)
2245  return p
2246 
2247  def __setstate__(self, p):
2248  if not hasattr(self, 'this'):
2249  self.__init__()
2250  if isinstance(p, tuple):
2251  d, p = p
2252  self.__dict__.update(d)
2253  return self._set_from_binary(p)
2254 
2255  __swig_destroy__ = _IMP_multifit.delete_RogParams
2256 
2257 # Register RogParams in _IMP_multifit:
2258 _IMP_multifit.RogParams_swigregister(RogParams)
2259 class EVParams(object):
2260  r"""Proxy of C++ IMP::multifit::EVParams class."""
2261 
2262  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
2263 
2264  def __init__(self):
2265  r"""__init__(EVParams self) -> EVParams"""
2266  _IMP_multifit.EVParams_swiginit(self, _IMP_multifit.new_EVParams())
2267 
2268  def add(self, pt):
2269  r"""add(EVParams self, boost::property_tree::ptree const & pt)"""
2270  return _IMP_multifit.EVParams_add(self, pt)
2271 
2272  def show(self, *args):
2273  r"""show(EVParams self, _ostream s=std::cout)"""
2274  return _IMP_multifit.EVParams_show(self, *args)
2275  pair_distance_ = property(_IMP_multifit.EVParams_pair_distance__get, _IMP_multifit.EVParams_pair_distance__set, doc=r"""pair_distance_ : float""")
2276  pair_slack_ = property(_IMP_multifit.EVParams_pair_slack__get, _IMP_multifit.EVParams_pair_slack__set, doc=r"""pair_slack_ : float""")
2277  hlb_mean_ = property(_IMP_multifit.EVParams_hlb_mean__get, _IMP_multifit.EVParams_hlb_mean__set, doc=r"""hlb_mean_ : float""")
2278  hlb_k_ = property(_IMP_multifit.EVParams_hlb_k__get, _IMP_multifit.EVParams_hlb_k__set, doc=r"""hlb_k_ : float""")
2279  maximum_ev_score_for_pair_ = property(_IMP_multifit.EVParams_maximum_ev_score_for_pair__get, _IMP_multifit.EVParams_maximum_ev_score_for_pair__set, doc=r"""maximum_ev_score_for_pair_ : float""")
2280  allowed_percentage_of_bad_pairs_ = property(_IMP_multifit.EVParams_allowed_percentage_of_bad_pairs__get, _IMP_multifit.EVParams_allowed_percentage_of_bad_pairs__set, doc=r"""allowed_percentage_of_bad_pairs_ : float""")
2281  scoring_mode_ = property(_IMP_multifit.EVParams_scoring_mode__get, _IMP_multifit.EVParams_scoring_mode__set, doc=r"""scoring_mode_ : int""")
2282 
2283  def __str__(self):
2284  r"""__str__(EVParams self) -> std::string"""
2285  return _IMP_multifit.EVParams___str__(self)
2286 
2287  def __repr__(self):
2288  r"""__repr__(EVParams self) -> std::string"""
2289  return _IMP_multifit.EVParams___repr__(self)
2290 
2291  def _get_as_binary(self):
2292  r"""_get_as_binary(EVParams self) -> PyObject *"""
2293  return _IMP_multifit.EVParams__get_as_binary(self)
2294 
2295  def _set_from_binary(self, p):
2296  r"""_set_from_binary(EVParams self, PyObject * p)"""
2297  return _IMP_multifit.EVParams__set_from_binary(self, p)
2298 
2299  def __getstate__(self):
2300  p = self._get_as_binary()
2301  if len(self.__dict__) > 1:
2302  d = self.__dict__.copy()
2303  del d['this']
2304  p = (d, p)
2305  return p
2306 
2307  def __setstate__(self, p):
2308  if not hasattr(self, 'this'):
2309  self.__init__()
2310  if isinstance(p, tuple):
2311  d, p = p
2312  self.__dict__.update(d)
2313  return self._set_from_binary(p)
2314 
2315  __swig_destroy__ = _IMP_multifit.delete_EVParams
2316 
2317 # Register EVParams in _IMP_multifit:
2318 _IMP_multifit.EVParams_swigregister(EVParams)
2319 class FiltersParams(object):
2320  r"""Proxy of C++ IMP::multifit::FiltersParams class."""
2321 
2322  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
2323 
2324  def __init__(self):
2325  r"""__init__(FiltersParams self) -> FiltersParams"""
2326  _IMP_multifit.FiltersParams_swiginit(self, _IMP_multifit.new_FiltersParams())
2327 
2328  def add(self, pt):
2329  r"""add(FiltersParams self, boost::property_tree::ptree const & pt)"""
2330  return _IMP_multifit.FiltersParams_add(self, pt)
2331 
2332  def show(self, *args):
2333  r"""show(FiltersParams self, _ostream s=std::cout)"""
2334  return _IMP_multifit.FiltersParams_show(self, *args)
2335  max_num_violated_xlink_ = property(_IMP_multifit.FiltersParams_max_num_violated_xlink__get, _IMP_multifit.FiltersParams_max_num_violated_xlink__set, doc=r"""max_num_violated_xlink_ : int""")
2336  max_num_violated_conn_ = property(_IMP_multifit.FiltersParams_max_num_violated_conn__get, _IMP_multifit.FiltersParams_max_num_violated_conn__set, doc=r"""max_num_violated_conn_ : int""")
2337  max_num_violated_ev_ = property(_IMP_multifit.FiltersParams_max_num_violated_ev__get, _IMP_multifit.FiltersParams_max_num_violated_ev__set, doc=r"""max_num_violated_ev_ : int""")
2338 
2339  def __str__(self):
2340  r"""__str__(FiltersParams self) -> std::string"""
2341  return _IMP_multifit.FiltersParams___str__(self)
2342 
2343  def __repr__(self):
2344  r"""__repr__(FiltersParams self) -> std::string"""
2345  return _IMP_multifit.FiltersParams___repr__(self)
2346 
2347  def _get_as_binary(self):
2348  r"""_get_as_binary(FiltersParams self) -> PyObject *"""
2349  return _IMP_multifit.FiltersParams__get_as_binary(self)
2350 
2351  def _set_from_binary(self, p):
2352  r"""_set_from_binary(FiltersParams self, PyObject * p)"""
2353  return _IMP_multifit.FiltersParams__set_from_binary(self, p)
2354 
2355  def __getstate__(self):
2356  p = self._get_as_binary()
2357  if len(self.__dict__) > 1:
2358  d = self.__dict__.copy()
2359  del d['this']
2360  p = (d, p)
2361  return p
2362 
2363  def __setstate__(self, p):
2364  if not hasattr(self, 'this'):
2365  self.__init__()
2366  if isinstance(p, tuple):
2367  d, p = p
2368  self.__dict__.update(d)
2369  return self._set_from_binary(p)
2370 
2371  __swig_destroy__ = _IMP_multifit.delete_FiltersParams
2372 
2373 # Register FiltersParams in _IMP_multifit:
2374 _IMP_multifit.FiltersParams_swigregister(FiltersParams)
2375 class FittingParams(object):
2376  r"""Proxy of C++ IMP::multifit::FittingParams class."""
2377 
2378  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
2379 
2380  def __init__(self):
2381  r"""__init__(FittingParams self) -> FittingParams"""
2382  _IMP_multifit.FittingParams_swiginit(self, _IMP_multifit.new_FittingParams())
2383 
2384  def add(self, pt):
2385  r"""add(FittingParams self, boost::property_tree::ptree const & pt)"""
2386  return _IMP_multifit.FittingParams_add(self, pt)
2387 
2388  def show(self, *args):
2389  r"""show(FittingParams self, _ostream s=std::cout)"""
2390  return _IMP_multifit.FittingParams_show(self, *args)
2391  pca_max_angle_diff_ = property(_IMP_multifit.FittingParams_pca_max_angle_diff__get, _IMP_multifit.FittingParams_pca_max_angle_diff__set, doc=r"""pca_max_angle_diff_ : float""")
2392  pca_max_size_diff_ = property(_IMP_multifit.FittingParams_pca_max_size_diff__get, _IMP_multifit.FittingParams_pca_max_size_diff__set, doc=r"""pca_max_size_diff_ : float""")
2393  pca_max_cent_dist_diff_ = property(_IMP_multifit.FittingParams_pca_max_cent_dist_diff__get, _IMP_multifit.FittingParams_pca_max_cent_dist_diff__set, doc=r"""pca_max_cent_dist_diff_ : float""")
2394  max_asmb_fit_score_ = property(_IMP_multifit.FittingParams_max_asmb_fit_score__get, _IMP_multifit.FittingParams_max_asmb_fit_score__set, doc=r"""max_asmb_fit_score_ : float""")
2395 
2396  def __str__(self):
2397  r"""__str__(FittingParams self) -> std::string"""
2398  return _IMP_multifit.FittingParams___str__(self)
2399 
2400  def __repr__(self):
2401  r"""__repr__(FittingParams self) -> std::string"""
2402  return _IMP_multifit.FittingParams___repr__(self)
2403 
2404  def _get_as_binary(self):
2405  r"""_get_as_binary(FittingParams self) -> PyObject *"""
2406  return _IMP_multifit.FittingParams__get_as_binary(self)
2407 
2408  def _set_from_binary(self, p):
2409  r"""_set_from_binary(FittingParams self, PyObject * p)"""
2410  return _IMP_multifit.FittingParams__set_from_binary(self, p)
2411 
2412  def __getstate__(self):
2413  p = self._get_as_binary()
2414  if len(self.__dict__) > 1:
2415  d = self.__dict__.copy()
2416  del d['this']
2417  p = (d, p)
2418  return p
2419 
2420  def __setstate__(self, p):
2421  if not hasattr(self, 'this'):
2422  self.__init__()
2423  if isinstance(p, tuple):
2424  d, p = p
2425  self.__dict__.update(d)
2426  return self._set_from_binary(p)
2427 
2428  __swig_destroy__ = _IMP_multifit.delete_FittingParams
2429 
2430 # Register FittingParams in _IMP_multifit:
2431 _IMP_multifit.FittingParams_swigregister(FittingParams)
2432 class ComplementarityParams(object):
2433  r"""Proxy of C++ IMP::multifit::ComplementarityParams class."""
2434 
2435  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
2436 
2437  def __init__(self):
2438  r"""__init__(ComplementarityParams self) -> ComplementarityParams"""
2439  _IMP_multifit.ComplementarityParams_swiginit(self, _IMP_multifit.new_ComplementarityParams())
2440 
2441  def add(self, pt):
2442  r"""add(ComplementarityParams self, boost::property_tree::ptree const & pt)"""
2443  return _IMP_multifit.ComplementarityParams_add(self, pt)
2444 
2445  def show(self, *args):
2446  r"""show(ComplementarityParams self, _ostream s=std::cout)"""
2447  return _IMP_multifit.ComplementarityParams_show(self, *args)
2448  max_score_ = property(_IMP_multifit.ComplementarityParams_max_score__get, _IMP_multifit.ComplementarityParams_max_score__set, doc=r"""max_score_ : float""")
2449  max_penetration_ = property(_IMP_multifit.ComplementarityParams_max_penetration__get, _IMP_multifit.ComplementarityParams_max_penetration__set, doc=r"""max_penetration_ : float""")
2450  interior_layer_thickness_ = property(_IMP_multifit.ComplementarityParams_interior_layer_thickness__get, _IMP_multifit.ComplementarityParams_interior_layer_thickness__set, doc=r"""interior_layer_thickness_ : float""")
2451  boundary_coef_ = property(_IMP_multifit.ComplementarityParams_boundary_coef__get, _IMP_multifit.ComplementarityParams_boundary_coef__set, doc=r"""boundary_coef_ : float""")
2452  comp_coef_ = property(_IMP_multifit.ComplementarityParams_comp_coef__get, _IMP_multifit.ComplementarityParams_comp_coef__set, doc=r"""comp_coef_ : float""")
2453  penetration_coef_ = property(_IMP_multifit.ComplementarityParams_penetration_coef__get, _IMP_multifit.ComplementarityParams_penetration_coef__set, doc=r"""penetration_coef_ : float""")
2454 
2455  def __str__(self):
2456  r"""__str__(ComplementarityParams self) -> std::string"""
2457  return _IMP_multifit.ComplementarityParams___str__(self)
2458 
2459  def __repr__(self):
2460  r"""__repr__(ComplementarityParams self) -> std::string"""
2461  return _IMP_multifit.ComplementarityParams___repr__(self)
2462 
2463  def _get_as_binary(self):
2464  r"""_get_as_binary(ComplementarityParams self) -> PyObject *"""
2465  return _IMP_multifit.ComplementarityParams__get_as_binary(self)
2466 
2467  def _set_from_binary(self, p):
2468  r"""_set_from_binary(ComplementarityParams self, PyObject * p)"""
2469  return _IMP_multifit.ComplementarityParams__set_from_binary(self, p)
2470 
2471  def __getstate__(self):
2472  p = self._get_as_binary()
2473  if len(self.__dict__) > 1:
2474  d = self.__dict__.copy()
2475  del d['this']
2476  p = (d, p)
2477  return p
2478 
2479  def __setstate__(self, p):
2480  if not hasattr(self, 'this'):
2481  self.__init__()
2482  if isinstance(p, tuple):
2483  d, p = p
2484  self.__dict__.update(d)
2485  return self._set_from_binary(p)
2486 
2487  __swig_destroy__ = _IMP_multifit.delete_ComplementarityParams
2488 
2489 # Register ComplementarityParams in _IMP_multifit:
2490 _IMP_multifit.ComplementarityParams_swigregister(ComplementarityParams)
2491 class AlignmentParams(object):
2492  r"""Proxy of C++ IMP::multifit::AlignmentParams class."""
2493 
2494  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
2495 
2496  def __init__(self, *args):
2497  r"""
2498  __init__(AlignmentParams self) -> AlignmentParams
2499  __init__(AlignmentParams self, char const * param_filename) -> AlignmentParams
2500  """
2501  _IMP_multifit.AlignmentParams_swiginit(self, _IMP_multifit.new_AlignmentParams(*args))
2502 
2503  def get_domino_params(self):
2504  r"""get_domino_params(AlignmentParams self) -> DominoParams"""
2505  return _IMP_multifit.AlignmentParams_get_domino_params(self)
2506 
2507  def get_fitting_params(self):
2508  r"""get_fitting_params(AlignmentParams self) -> FittingParams"""
2509  return _IMP_multifit.AlignmentParams_get_fitting_params(self)
2510 
2511  def get_complementarity_params(self):
2512  r"""get_complementarity_params(AlignmentParams self) -> ComplementarityParams"""
2513  return _IMP_multifit.AlignmentParams_get_complementarity_params(self)
2514 
2515  def get_xlink_params(self):
2516  r"""get_xlink_params(AlignmentParams self) -> XlinkParams"""
2517  return _IMP_multifit.AlignmentParams_get_xlink_params(self)
2518 
2519  def get_connectivity_params(self):
2520  r"""get_connectivity_params(AlignmentParams self) -> ConnectivityParams"""
2521  return _IMP_multifit.AlignmentParams_get_connectivity_params(self)
2522 
2523  def get_rog_params(self):
2524  r"""get_rog_params(AlignmentParams self) -> RogParams"""
2525  return _IMP_multifit.AlignmentParams_get_rog_params(self)
2526 
2527  def get_fragments_params(self):
2528  r"""get_fragments_params(AlignmentParams self) -> FragmentsParams"""
2529  return _IMP_multifit.AlignmentParams_get_fragments_params(self)
2530 
2531  def get_filters_params(self):
2532  r"""get_filters_params(AlignmentParams self) -> FiltersParams"""
2533  return _IMP_multifit.AlignmentParams_get_filters_params(self)
2534 
2535  def get_ev_params(self):
2536  r"""get_ev_params(AlignmentParams self) -> EVParams"""
2537  return _IMP_multifit.AlignmentParams_get_ev_params(self)
2538 
2539  def show(self, *args):
2540  r"""show(AlignmentParams self, _ostream s=std::cout)"""
2541  return _IMP_multifit.AlignmentParams_show(self, *args)
2542 
2543  def __str__(self):
2544  r"""__str__(AlignmentParams self) -> std::string"""
2545  return _IMP_multifit.AlignmentParams___str__(self)
2546 
2547  def __repr__(self):
2548  r"""__repr__(AlignmentParams self) -> std::string"""
2549  return _IMP_multifit.AlignmentParams___repr__(self)
2550 
2551  def _get_as_binary(self):
2552  r"""_get_as_binary(AlignmentParams self) -> PyObject *"""
2553  return _IMP_multifit.AlignmentParams__get_as_binary(self)
2554 
2555  def _set_from_binary(self, p):
2556  r"""_set_from_binary(AlignmentParams self, PyObject * p)"""
2557  return _IMP_multifit.AlignmentParams__set_from_binary(self, p)
2558 
2559  def __getstate__(self):
2560  p = self._get_as_binary()
2561  if len(self.__dict__) > 1:
2562  d = self.__dict__.copy()
2563  del d['this']
2564  p = (d, p)
2565  return p
2566 
2567  def __setstate__(self, p):
2568  if not hasattr(self, 'this'):
2569  self.__init__()
2570  if isinstance(p, tuple):
2571  d, p = p
2572  self.__dict__.update(d)
2573  return self._set_from_binary(p)
2574 
2575  __swig_destroy__ = _IMP_multifit.delete_AlignmentParams
2576 
2577 # Register AlignmentParams in _IMP_multifit:
2578 _IMP_multifit.AlignmentParams_swigregister(AlignmentParams)
2579 class ProteomicsEMAlignmentAtomic(IMP.Object):
2580  r"""Proxy of C++ IMP::multifit::ProteomicsEMAlignmentAtomic class."""
2581 
2582  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
2583 
2584  def __init__(self, mapping_data, asmb_data, align_param):
2585  r"""__init__(ProteomicsEMAlignmentAtomic self, ProteinsAnchorsSamplingSpace mapping_data, SettingsData asmb_data, AlignmentParams align_param) -> ProteomicsEMAlignmentAtomic"""
2586  _IMP_multifit.ProteomicsEMAlignmentAtomic_swiginit(self, _IMP_multifit.new_ProteomicsEMAlignmentAtomic(mapping_data, asmb_data, align_param))
2587 
2588  def align(self):
2589  r"""align(ProteomicsEMAlignmentAtomic self)"""
2590  return _IMP_multifit.ProteomicsEMAlignmentAtomic_align(self)
2591 
2592  def add_all_restraints(self):
2593  r"""add_all_restraints(ProteomicsEMAlignmentAtomic self)"""
2594  return _IMP_multifit.ProteomicsEMAlignmentAtomic_add_all_restraints(self)
2595 
2596  def get_restraint_set(self):
2597  r"""get_restraint_set(ProteomicsEMAlignmentAtomic self) -> RestraintSet"""
2598  return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_restraint_set(self)
2599 
2600  def add_states_and_filters(self):
2601  r"""add_states_and_filters(ProteomicsEMAlignmentAtomic self)"""
2602  return _IMP_multifit.ProteomicsEMAlignmentAtomic_add_states_and_filters(self)
2603 
2604  def show_domino_merge_tree(self):
2605  r"""show_domino_merge_tree(ProteomicsEMAlignmentAtomic self)"""
2606  return _IMP_multifit.ProteomicsEMAlignmentAtomic_show_domino_merge_tree(self)
2607 
2608  def get_combinations(self, uniques=False):
2609  r"""get_combinations(ProteomicsEMAlignmentAtomic self, bool uniques=False) -> IMP::domino::Assignments"""
2610  return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_combinations(self, uniques)
2611 
2612  def set_density_map(self, dmap, threshold):
2613  r"""set_density_map(ProteomicsEMAlignmentAtomic self, DensityMap dmap, float threshold)"""
2614  return _IMP_multifit.ProteomicsEMAlignmentAtomic_set_density_map(self, dmap, threshold)
2615 
2616  def get_molecules(self):
2617  r"""get_molecules(ProteomicsEMAlignmentAtomic self) -> IMP::atom::Hierarchies"""
2618  return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_molecules(self)
2619 
2620  def get_rigid_bodies(self):
2621  r"""get_rigid_bodies(ProteomicsEMAlignmentAtomic self) -> IMP::core::RigidBodies"""
2622  return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_rigid_bodies(self)
2623 
2624  def load_combination_of_states(self, state4particles):
2625  r"""load_combination_of_states(ProteomicsEMAlignmentAtomic self, IMP::Ints const & state4particles)"""
2626  return _IMP_multifit.ProteomicsEMAlignmentAtomic_load_combination_of_states(self, state4particles)
2627 
2628  def show_scores_header(self, *args):
2629  r"""show_scores_header(ProteomicsEMAlignmentAtomic self, _ostream ous=std::cout)"""
2630  return _IMP_multifit.ProteomicsEMAlignmentAtomic_show_scores_header(self, *args)
2631 
2632  def get_model(self):
2633  r"""get_model(ProteomicsEMAlignmentAtomic self) -> Model"""
2634  return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_model(self)
2635 
2636  def set_fast_scoring(self, state):
2637  r"""set_fast_scoring(ProteomicsEMAlignmentAtomic self, bool state)"""
2638  return _IMP_multifit.ProteomicsEMAlignmentAtomic_set_fast_scoring(self, state)
2639 
2640  def get_version_info(self):
2641  r"""get_version_info(ProteomicsEMAlignmentAtomic self) -> VersionInfo"""
2642  return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_version_info(self)
2643  __swig_destroy__ = _IMP_multifit.delete_ProteomicsEMAlignmentAtomic
2644 
2645  def __str__(self):
2646  r"""__str__(ProteomicsEMAlignmentAtomic self) -> std::string"""
2647  return _IMP_multifit.ProteomicsEMAlignmentAtomic___str__(self)
2648 
2649  def __repr__(self):
2650  r"""__repr__(ProteomicsEMAlignmentAtomic self) -> std::string"""
2651  return _IMP_multifit.ProteomicsEMAlignmentAtomic___repr__(self)
2652 
2653  @staticmethod
2654  def get_from(o):
2655  return _object_cast_to_ProteomicsEMAlignmentAtomic(o)
2656 
2657 
2658 # Register ProteomicsEMAlignmentAtomic in _IMP_multifit:
2659 _IMP_multifit.ProteomicsEMAlignmentAtomic_swigregister(ProteomicsEMAlignmentAtomic)
2660 
2661 def write_connolly_surface(atoms, fn, density, probe_radius):
2662  r"""write_connolly_surface(IMP::atom::Atoms atoms, TextOutput fn, float density, float probe_radius)"""
2663  return _IMP_multifit.write_connolly_surface(atoms, fn, density, probe_radius)
2664 class Ensemble(IMP.Object):
2665  r"""Proxy of C++ IMP::multifit::Ensemble class."""
2666 
2667  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
2668 
2669  def load_combination(self, fit_comb):
2670  r"""load_combination(Ensemble self, IMP::Ints fit_comb)"""
2671  return _IMP_multifit.Ensemble_load_combination(self, fit_comb)
2672 
2673  def unload_combination(self, fit_comb):
2674  r"""unload_combination(Ensemble self, IMP::Ints fit_comb)"""
2675  return _IMP_multifit.Ensemble_unload_combination(self, fit_comb)
2676 
2677  def add_component_and_fits(self, mh, fits):
2678  r"""add_component_and_fits(Ensemble self, Hierarchy mh, IMP::multifit::FittingSolutionRecords const & fits)"""
2679  return _IMP_multifit.Ensemble_add_component_and_fits(self, mh, fits)
2680 
2681  def get_molecules(self):
2682  r"""get_molecules(Ensemble self) -> IMP::atom::Hierarchies"""
2683  return _IMP_multifit.Ensemble_get_molecules(self)
2684 
2685  def get_rigid_bodies(self):
2686  r"""get_rigid_bodies(Ensemble self) -> IMP::core::RigidBodies"""
2687  return _IMP_multifit.Ensemble_get_rigid_bodies(self)
2688 
2689  def get_rmsd(self, second_xyz):
2690  r"""get_rmsd(Ensemble self, IMP::core::XYZs const & second_xyz) -> float"""
2691  return _IMP_multifit.Ensemble_get_rmsd(self, second_xyz)
2692 
2693  def __init__(self, sd, mapping_data):
2694  r"""__init__(Ensemble self, SettingsData sd, ProteinsAnchorsSamplingSpace mapping_data) -> Ensemble"""
2695  _IMP_multifit.Ensemble_swiginit(self, _IMP_multifit.new_Ensemble(sd, mapping_data))
2696 
2697  def score_by_restraints(self, rs, combinations):
2698  r"""score_by_restraints(Ensemble self, IMP::Restraints rs, IMP::IntsList const & combinations) -> std::vector< IMP::Floats,std::allocator< IMP::Floats > >"""
2699  return _IMP_multifit.Ensemble_score_by_restraints(self, rs, combinations)
2700 
2701  def get_version_info(self):
2702  r"""get_version_info(Ensemble self) -> VersionInfo"""
2703  return _IMP_multifit.Ensemble_get_version_info(self)
2704  __swig_destroy__ = _IMP_multifit.delete_Ensemble
2705 
2706  def __str__(self):
2707  r"""__str__(Ensemble self) -> std::string"""
2708  return _IMP_multifit.Ensemble___str__(self)
2709 
2710  def __repr__(self):
2711  r"""__repr__(Ensemble self) -> std::string"""
2712  return _IMP_multifit.Ensemble___repr__(self)
2713 
2714  @staticmethod
2715  def get_from(o):
2716  return _object_cast_to_Ensemble(o)
2717 
2718 
2719 # Register Ensemble in _IMP_multifit:
2720 _IMP_multifit.Ensemble_swigregister(Ensemble)
2721 
2722 def load_ensemble(sd, mdl, mapping_data):
2723  r"""load_ensemble(SettingsData sd, Model mdl, ProteinsAnchorsSamplingSpace mapping_data) -> Ensemble"""
2724  return _IMP_multifit.load_ensemble(sd, mdl, mapping_data)
2725 class RigidLeavesRefiner(IMP.Refiner):
2726  r"""Proxy of C++ IMP::multifit::RigidLeavesRefiner class."""
2727 
2728  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
2729 
2730  def __init__(self, *args):
2731  r"""__init__(RigidLeavesRefiner self, std::string name="RigidLeavesRefiner%d") -> RigidLeavesRefiner"""
2732  _IMP_multifit.RigidLeavesRefiner_swiginit(self, _IMP_multifit.new_RigidLeavesRefiner(*args))
2733 
2734  def do_get_inputs(self, m, pis):
2735  r"""do_get_inputs(RigidLeavesRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
2736  return _IMP_multifit.RigidLeavesRefiner_do_get_inputs(self, m, pis)
2737 
2738  def get_version_info(self):
2739  r"""get_version_info(RigidLeavesRefiner self) -> VersionInfo"""
2740  return _IMP_multifit.RigidLeavesRefiner_get_version_info(self)
2741  __swig_destroy__ = _IMP_multifit.delete_RigidLeavesRefiner
2742 
2743  def __str__(self):
2744  r"""__str__(RigidLeavesRefiner self) -> std::string"""
2745  return _IMP_multifit.RigidLeavesRefiner___str__(self)
2746 
2747  def __repr__(self):
2748  r"""__repr__(RigidLeavesRefiner self) -> std::string"""
2749  return _IMP_multifit.RigidLeavesRefiner___repr__(self)
2750 
2751  @staticmethod
2752  def get_from(o):
2753  return _object_cast_to_RigidLeavesRefiner(o)
2754 
2755 
2756 # Register RigidLeavesRefiner in _IMP_multifit:
2757 _IMP_multifit.RigidLeavesRefiner_swigregister(RigidLeavesRefiner)
2758 
2759 _all_commands = ["param", "anchors", "fit_fft", "cluster", "add_fit_rmsd",
2760  "indexes", "proteomics", "align", "models", "transforms",
2761  "score", "merge_tree", "reference", "refine_fft", "segment"]
2762 
2763 
2764 def get_module_name():
2765  r"""get_module_name() -> std::string const"""
2766  return _IMP_multifit.get_module_name()
2767 
2768 def get_module_version():
2769  r"""get_module_version() -> std::string const"""
2770  return _IMP_multifit.get_module_version()
2771 
2772 def get_example_path(fname):
2773  r"""get_example_path(std::string fname) -> std::string"""
2774  return _IMP_multifit.get_example_path(fname)
2775 
2776 def get_data_path(fname):
2777  r"""get_data_path(std::string fname) -> std::string"""
2778  return _IMP_multifit.get_data_path(fname)
2779 
2780 from . import _version_check
2781 _version_check.check_version(get_module_version())
2782 __version__ = get_module_version()
2783 
2784 
def get_module_version
Return the version of this module, as a string.
IntsList get_anchor_indices_matching_secondary_structure(const AnchorsData &ad, const atom::SecondaryStructureResidues &ssrs, Float max_rmsd=0.7)
Get lists of anchors that match a sequence of secondary structures.
FittingSolutionRecords get_close_to_point(const FittingSolutionRecords &fit_sols, atom::Hierarchy mh, IMP::Particle *ap, Float dist)
prune solutions by distance to an anchor point
IntsList get_connected_components(em::DensityMap *dmap, float threshold, float edge_threshold)
Return connected components based on density values.
Various classes to hold sets of particles.
Make CGAL functionality available to IMP.
em::DensityMap * remove_background(em::DensityMap *dmap, float threshold, float edge_threshold)
Returns a map containing all density without the background.
ProteinsAnchorsSamplingSpace get_part_of_sampling_space(const ProteinsAnchorsSamplingSpace &prots_ss, const Strings &prot_names)
Get the sampling space of few of the proteins.
def get_example_path
Return the full path to one of this module's example files.
multifit::SettingsData * get_partial_assembly_setting_data(multifit::SettingsData *prots_sd, const Strings &prot_names)
Get the assembly data for a few of the proteins.
Composable functors to implement scores via compile-time composition.
em::FittingSolutions pca_based_rigid_fitting(core::RigidBody rb, Refiner *rb_refiner, em::DensityMap *em_map, Float threshold, FloatKey wei_key=atom::Mass::get_mass_key(), algebra::PrincipalComponentAnalysis dens_pca_input=algebra::PrincipalComponentAnalysis())
Compute fitting scores for a given set of rigid transformations.
Code to compute statistical measures.
def get_data_path
Return the full path to one of this module's data files.
void add_surface_index(core::Hierarchy mhd, Float apix, FloatKey shell_key=FloatKey("surf_ind"), FloatKey radius_key=core::XYZR::get_radius_key(), FloatKey weight_key=atom::Mass::get_mass_key())
Add shell index to leaves.
Ints get_index(const ParticlesTemp &particles, const Subset &subset, const Subsets &excluded)
double get_radius_of_gyration(const Vector3Ds &ps)
Return the radius of gyration of a set of points.
Definition: Vector3D.h:76
Common base class for heavy weight IMP objects.
Definition: Object.h:111
void get_anchors_for_density(em::DensityMap *dmap, int number_of_means, float density_threshold, std::string pdb_filename, std::string cmm_filename, std::string seg_filename, std::string txt_filename)
Generate anchors in several formats for a given density map.
double get_rmsd(const Vector3DsOrXYZs0 &m1, const Vector3DsOrXYZs1 &m2)
Basic utilities for handling cryo-electron microscopy 3D density maps.
void write_fitting_solutions(const char *fitting_fn, const FittingSolutionRecords &fit_sols, int num_sols=-1)
Write fitting solutions to a file.
ProteomicsData * read_proteomics_data(const char *proteomics_fn)
Proteomics reader.
IMP::Restraint * create_weighted_excluded_volume_restraint(core::RigidBody rb1, core::RigidBody rb2, FloatKey shell_key=FloatKey("surf_ind"))
Create a weighted excluded volume restraint between two rigid bodies.
algebra::Vector3Ds get_points_close_to_molecule(const atom::Hierarchy &mh, const algebra::Vector3Ds points, Float max_dist)
void get_segmentation(em::DensityMap *dmap, double apix, double density_threshold, int num_means, const std::string pdb_filename, const std::string cmm_filename, const std::string seg_filename, const std::string txt_filename)
Segment a density map using the anchor graph.
void write_connolly_surface(atom::Atoms atoms, TextOutput fn, float density, float probe_radius)
Write the Connolly surface for a set of atoms to a file.
std::ostream & show(Hierarchy h, std::ostream &out=std::cout)
Print the hierarchy using a given decorator to display each node.
multifit::FittingSolutionRecords fft_based_rigid_fitting(atom::Hierarchy mol2fit, em::DensityMap *dmap, double density_threshold, double angle_sampling_interval_rad)
FFT fit of a molecule in the density.
Basic functionality that is expected to be used by a wide variety of IMP users.
General purpose algebraic and geometric methods that are expected to be used by a wide variety of IMP...
def get_module_name
Return the fully-qualified name of this module.
IntsList read_paths(const char *txt_filename, int max_paths=INT_MAX)
Read paths.
FittingSolutionRecords read_fitting_solutions(const char *fitting_fn)
Fitting solutions reader.
Abstract class to implement hierarchical methods.
Definition: Refiner.h:36
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.
Definition: Restraint.h:56
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.