IMP  2.4.0
The Integrative Modeling Platform
multifit/__init__.py
1 # This file was automatically generated by SWIG (http://www.swig.org).
2 # Version 3.0.2
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 
9 
10 
11 from sys import version_info
12 if version_info >= (2,6,0):
13  def swig_import_helper():
14  from os.path import dirname
15  import imp
16  fp = None
17  try:
18  fp, pathname, description = imp.find_module('_IMP_multifit', [dirname(__file__)])
19  except ImportError:
20  import _IMP_multifit
21  return _IMP_multifit
22  if fp is not None:
23  try:
24  _mod = imp.load_module('_IMP_multifit', fp, pathname, description)
25  finally:
26  fp.close()
27  return _mod
28  _IMP_multifit = swig_import_helper()
29  del swig_import_helper
30 else:
31  import _IMP_multifit
32 del version_info
33 try:
34  _swig_property = property
35 except NameError:
36  pass # Python < 2.2 doesn't have 'property'.
37 def _swig_setattr_nondynamic(self,class_type,name,value,static=1):
38  if (name == "thisown"): return self.this.own(value)
39  if (name == "this"):
40  if type(value).__name__ == 'SwigPyObject':
41  self.__dict__[name] = value
42  return
43  method = class_type.__swig_setmethods__.get(name,None)
44  if method: return method(self,value)
45  if (not static):
46  self.__dict__[name] = value
47  else:
48  raise AttributeError("You cannot add attributes to %s" % self)
49 
50 def _swig_setattr(self,class_type,name,value):
51  return _swig_setattr_nondynamic(self,class_type,name,value,0)
52 
53 def _swig_getattr(self,class_type,name):
54  if (name == "thisown"): return self.this.own()
55  method = class_type.__swig_getmethods__.get(name,None)
56  if method: return method(self)
57  raise AttributeError(name)
58 
59 def _swig_repr(self):
60  try: strthis = "proxy of " + self.this.__repr__()
61  except: strthis = ""
62  return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
63 
64 try:
65  _object = object
66  _newclass = 1
67 except AttributeError:
68  class _object : pass
69  _newclass = 0
70 
71 
72 def _swig_setattr_nondynamic_method(set):
73  def set_attr(self,name,value):
74  if (name == "thisown"): return self.this.own(value)
75  if hasattr(self,name) or (name == "this"):
76  set(self,name,value)
77  else:
78  raise AttributeError("You cannot add attributes to %s" % self)
79  return set_attr
80 
81 
82 try:
83  import weakref
84  weakref_proxy = weakref.proxy
85 except:
86  weakref_proxy = lambda x: x
87 
88 
89 class IMP_MULTIFIT_SwigPyIterator(object):
90  """Proxy of C++ swig::IMP_MULTIFIT_SwigPyIterator class"""
91  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
92  def __init__(self, *args, **kwargs): raise AttributeError("No constructor defined - class is abstract")
93  __repr__ = _swig_repr
94  __swig_destroy__ = _IMP_multifit.delete_IMP_MULTIFIT_SwigPyIterator
95  __del__ = lambda self : None;
96  def value(self):
97  """value(IMP_MULTIFIT_SwigPyIterator self) -> PyObject *"""
98  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_value(self)
99 
100  def incr(self, n=1):
101  """
102  incr(IMP_MULTIFIT_SwigPyIterator self, size_t n=1) -> IMP_MULTIFIT_SwigPyIterator
103  incr(IMP_MULTIFIT_SwigPyIterator self) -> IMP_MULTIFIT_SwigPyIterator
104  """
105  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_incr(self, n)
106 
107  def decr(self, n=1):
108  """
109  decr(IMP_MULTIFIT_SwigPyIterator self, size_t n=1) -> IMP_MULTIFIT_SwigPyIterator
110  decr(IMP_MULTIFIT_SwigPyIterator self) -> IMP_MULTIFIT_SwigPyIterator
111  """
112  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_decr(self, n)
113 
114  def distance(self, *args):
115  """distance(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> ptrdiff_t"""
116  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_distance(self, *args)
117 
118  def equal(self, *args):
119  """equal(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> bool"""
120  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_equal(self, *args)
121 
122  def copy(self):
123  """copy(IMP_MULTIFIT_SwigPyIterator self) -> IMP_MULTIFIT_SwigPyIterator"""
124  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_copy(self)
125 
126  def next(self):
127  """next(IMP_MULTIFIT_SwigPyIterator self) -> PyObject *"""
128  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_next(self)
129 
130  def __next__(self):
131  """__next__(IMP_MULTIFIT_SwigPyIterator self) -> PyObject *"""
132  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___next__(self)
133 
134  def previous(self):
135  """previous(IMP_MULTIFIT_SwigPyIterator self) -> PyObject *"""
136  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_previous(self)
137 
138  def advance(self, *args):
139  """advance(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
140  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_advance(self, *args)
141 
142  def __eq__(self, *args):
143  """__eq__(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> bool"""
144  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___eq__(self, *args)
145 
146  def __ne__(self, *args):
147  """__ne__(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> bool"""
148  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___ne__(self, *args)
149 
150  def __iadd__(self, *args):
151  """__iadd__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
152  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___iadd__(self, *args)
153 
154  def __isub__(self, *args):
155  """__isub__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
156  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___isub__(self, *args)
157 
158  def __add__(self, *args):
159  """__add__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator"""
160  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___add__(self, *args)
161 
162  def __sub__(self, *args):
163  """
164  __sub__(IMP_MULTIFIT_SwigPyIterator self, ptrdiff_t n) -> IMP_MULTIFIT_SwigPyIterator
165  __sub__(IMP_MULTIFIT_SwigPyIterator self, IMP_MULTIFIT_SwigPyIterator x) -> ptrdiff_t
166  """
167  return _IMP_multifit.IMP_MULTIFIT_SwigPyIterator___sub__(self, *args)
168 
169  def __iter__(self): return self
170 IMP_MULTIFIT_SwigPyIterator_swigregister = _IMP_multifit.IMP_MULTIFIT_SwigPyIterator_swigregister
171 IMP_MULTIFIT_SwigPyIterator_swigregister(IMP_MULTIFIT_SwigPyIterator)
172 
173 _value_types=[]
174 _object_types=[]
175 _raii_types=[]
176 _plural_types=[]
177 
178 IMP_DEBUG = _IMP_multifit.IMP_DEBUG
179 IMP_RELEASE = _IMP_multifit.IMP_RELEASE
180 IMP_SILENT = _IMP_multifit.IMP_SILENT
181 IMP_PROGRESS = _IMP_multifit.IMP_PROGRESS
182 IMP_TERSE = _IMP_multifit.IMP_TERSE
183 IMP_VERBOSE = _IMP_multifit.IMP_VERBOSE
184 IMP_MEMORY = _IMP_multifit.IMP_MEMORY
185 IMP_NONE = _IMP_multifit.IMP_NONE
186 IMP_USAGE = _IMP_multifit.IMP_USAGE
187 IMP_INTERNAL = _IMP_multifit.IMP_INTERNAL
188 IMP_BASE_HAS_LOG4CXX = _IMP_multifit.IMP_BASE_HAS_LOG4CXX
189 IMP_COMPILER_HAS_AUTO = _IMP_multifit.IMP_COMPILER_HAS_AUTO
190 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_multifit.IMP_COMPILER_HAS_DEBUG_VECTOR
191 IMP_BASE_HAS_BOOST_RANDOM = _IMP_multifit.IMP_BASE_HAS_BOOST_RANDOM
192 IMP_BASE_HAS_GPERFTOOLS = _IMP_multifit.IMP_BASE_HAS_GPERFTOOLS
193 IMP_BASE_HAS_TCMALLOC_HEAPCHECKER = _IMP_multifit.IMP_BASE_HAS_TCMALLOC_HEAPCHECKER
194 IMP_BASE_HAS_TCMALLOC_HEAPPROFILER = _IMP_multifit.IMP_BASE_HAS_TCMALLOC_HEAPPROFILER
195 IMPBASE_SHOW_WARNINGS = _IMP_multifit.IMPBASE_SHOW_WARNINGS
196 import sys
197 class _DirectorObjects(object):
198  """@internal Simple class to keep references to director objects
199  to prevent premature deletion."""
200  def __init__(self):
201  self._objects = []
202  def register(self, obj):
203  """Take a reference to a director object; will only work for
204  refcounted C++ classes"""
205  if hasattr(obj, 'get_ref_count'):
206  self._objects.append(obj)
207  def cleanup(self):
208  """Only drop our reference and allow cleanup by Python if no other
209  Python references exist (we hold 3 references: one in self._objects,
210  one in x, and one in the argument list for getrefcount) *and* no
211  other C++ references exist (the Python object always holds one)"""
212  objs = [x for x in self._objects if sys.getrefcount(x) > 3 \
213  or x.get_ref_count() > 1]
214  # Do in two steps so the references are kept until the end of the
215  # function (deleting references may trigger a fresh call to this method)
216  self._objects = objs
217  def get_object_count(self):
218  """Get number of director objects (useful for testing only)"""
219  return len(self._objects)
220 _director_objects = _DirectorObjects()
221 
222 class _ostream(object):
223  """Proxy of C++ std::ostream class"""
224  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
225  def __init__(self, *args, **kwargs): raise AttributeError("No constructor defined")
226  __repr__ = _swig_repr
227  def write(self, *args):
228  """write(_ostream self, char const * osa_buf)"""
229  return _IMP_multifit._ostream_write(self, *args)
230 
231 _ostream_swigregister = _IMP_multifit._ostream_swigregister
232 _ostream_swigregister(_ostream)
233 
234 IMP_COMPILER_HAS_OVERRIDE = _IMP_multifit.IMP_COMPILER_HAS_OVERRIDE
235 IMP_COMPILER_HAS_FINAL = _IMP_multifit.IMP_COMPILER_HAS_FINAL
236 IMP_HAS_NOEXCEPT = _IMP_multifit.IMP_HAS_NOEXCEPT
237 import IMP.base
238 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_CGAL_HAS_BOOST_FILESYSTEM
239 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
240 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_multifit.IMP_CGAL_HAS_BOOST_RANDOM
241 IMP_CGAL_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_CGAL_HAS_BOOST_SYSTEM
242 IMPCGAL_SHOW_WARNINGS = _IMP_multifit.IMPCGAL_SHOW_WARNINGS
243 import IMP.cgal
244 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_multifit.IMP_ALGEBRA_HAS_IMP_CGAL
245 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
246 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
247 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_RANDOM
248 IMP_ALGEBRA_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_ALGEBRA_HAS_BOOST_SYSTEM
249 IMP_ALGEBRA_HAS_CGAL = _IMP_multifit.IMP_ALGEBRA_HAS_CGAL
250 IMP_ALGEBRA_HAS_ANN = _IMP_multifit.IMP_ALGEBRA_HAS_ANN
251 IMPALGEBRA_SHOW_WARNINGS = _IMP_multifit.IMPALGEBRA_SHOW_WARNINGS
252 import IMP.algebra
253 IMP_KERNEL_HAS_IMP_CGAL = _IMP_multifit.IMP_KERNEL_HAS_IMP_CGAL
254 IMP_KERNEL_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_KERNEL_HAS_BOOST_PROGRAMOPTIONS
255 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_multifit.IMP_KERNEL_HAS_BOOST_RANDOM
256 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_KERNEL_HAS_BOOST_SYSTEM
257 IMP_KERNEL_HAS_CGAL = _IMP_multifit.IMP_KERNEL_HAS_CGAL
258 IMPKERNEL_SHOW_WARNINGS = _IMP_multifit.IMPKERNEL_SHOW_WARNINGS
259 import IMP.kernel
260 IMP_DISPLAY_HAS_IMP_BASE = _IMP_multifit.IMP_DISPLAY_HAS_IMP_BASE
261 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_multifit.IMP_DISPLAY_HAS_IMP_CGAL
262 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
263 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
264 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_multifit.IMP_DISPLAY_HAS_BOOST_RANDOM
265 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_DISPLAY_HAS_BOOST_SYSTEM
266 IMP_DISPLAY_HAS_CGAL = _IMP_multifit.IMP_DISPLAY_HAS_CGAL
267 IMPDISPLAY_SHOW_WARNINGS = _IMP_multifit.IMPDISPLAY_SHOW_WARNINGS
268 import IMP.display
269 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
270 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
271 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
272 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
273 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
274 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_CGAL
275 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_multifit.IMP_SCORE_FUNCTOR_HAS_HDF5
276 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_multifit.IMPSCOREFUNCTOR_SHOW_WARNINGS
277 import IMP.score_functor
278 IMP_STATISTICS_HAS_IMP_BASE = _IMP_multifit.IMP_STATISTICS_HAS_IMP_BASE
279 IMP_STATISTICS_HAS_IMP_CGAL = _IMP_multifit.IMP_STATISTICS_HAS_IMP_CGAL
280 IMP_STATISTICS_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_STATISTICS_HAS_BOOST_FILESYSTEM
281 IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS
282 IMP_STATISTICS_HAS_BOOST_RANDOM = _IMP_multifit.IMP_STATISTICS_HAS_BOOST_RANDOM
283 IMP_STATISTICS_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_STATISTICS_HAS_BOOST_SYSTEM
284 IMP_STATISTICS_HAS_CGAL = _IMP_multifit.IMP_STATISTICS_HAS_CGAL
285 IMPSTATISTICS_SHOW_WARNINGS = _IMP_multifit.IMPSTATISTICS_SHOW_WARNINGS
286 import IMP.statistics
287 IMP_CORE_HAS_IMP_BASE = _IMP_multifit.IMP_CORE_HAS_IMP_BASE
288 IMP_CORE_HAS_IMP_CGAL = _IMP_multifit.IMP_CORE_HAS_IMP_CGAL
289 IMP_CORE_HAS_IMP_KERNEL = _IMP_multifit.IMP_CORE_HAS_IMP_KERNEL
290 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_CORE_HAS_BOOST_FILESYSTEM
291 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
292 IMP_CORE_HAS_BOOST_RANDOM = _IMP_multifit.IMP_CORE_HAS_BOOST_RANDOM
293 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_CORE_HAS_BOOST_SYSTEM
294 IMP_CORE_HAS_CGAL = _IMP_multifit.IMP_CORE_HAS_CGAL
295 IMP_CORE_HAS_HDF5 = _IMP_multifit.IMP_CORE_HAS_HDF5
296 IMPCORE_SHOW_WARNINGS = _IMP_multifit.IMPCORE_SHOW_WARNINGS
297 import IMP.core
298 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_multifit.IMP_CONTAINER_HAS_IMP_ALGEBRA
299 IMP_CONTAINER_HAS_IMP_BASE = _IMP_multifit.IMP_CONTAINER_HAS_IMP_BASE
300 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_multifit.IMP_CONTAINER_HAS_IMP_CGAL
301 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_multifit.IMP_CONTAINER_HAS_IMP_DISPLAY
302 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_multifit.IMP_CONTAINER_HAS_IMP_KERNEL
303 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
304 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
305 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
306 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_multifit.IMP_CONTAINER_HAS_BOOST_RANDOM
307 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_CONTAINER_HAS_BOOST_SYSTEM
308 IMP_CONTAINER_HAS_CGAL = _IMP_multifit.IMP_CONTAINER_HAS_CGAL
309 IMP_CONTAINER_HAS_HDF5 = _IMP_multifit.IMP_CONTAINER_HAS_HDF5
310 IMPCONTAINER_SHOW_WARNINGS = _IMP_multifit.IMPCONTAINER_SHOW_WARNINGS
311 import IMP.container
312 IMP_ATOM_HAS_IMP_BASE = _IMP_multifit.IMP_ATOM_HAS_IMP_BASE
313 IMP_ATOM_HAS_IMP_CGAL = _IMP_multifit.IMP_ATOM_HAS_IMP_CGAL
314 IMP_ATOM_HAS_IMP_KERNEL = _IMP_multifit.IMP_ATOM_HAS_IMP_KERNEL
315 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
316 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
317 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_multifit.IMP_ATOM_HAS_BOOST_RANDOM
318 IMP_ATOM_HAS_BOOST_REGEX = _IMP_multifit.IMP_ATOM_HAS_BOOST_REGEX
319 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_ATOM_HAS_BOOST_SYSTEM
320 IMP_ATOM_HAS_CGAL = _IMP_multifit.IMP_ATOM_HAS_CGAL
321 IMP_ATOM_HAS_HDF5 = _IMP_multifit.IMP_ATOM_HAS_HDF5
322 IMPATOM_SHOW_WARNINGS = _IMP_multifit.IMPATOM_SHOW_WARNINGS
323 IMP_ATOM_TYPE_INDEX = _IMP_multifit.IMP_ATOM_TYPE_INDEX
324 IMP_RESIDUE_TYPE_INDEX = _IMP_multifit.IMP_RESIDUE_TYPE_INDEX
325 IMP_HIERARCHY_TYPE_INDEX = _IMP_multifit.IMP_HIERARCHY_TYPE_INDEX
326 import IMP.atom
327 IMP_EM_HAS_IMP_CGAL = _IMP_multifit.IMP_EM_HAS_IMP_CGAL
328 IMP_EM_HAS_IMP_CONTAINER = _IMP_multifit.IMP_EM_HAS_IMP_CONTAINER
329 IMP_EM_HAS_IMP_DISPLAY = _IMP_multifit.IMP_EM_HAS_IMP_DISPLAY
330 IMP_EM_HAS_IMP_KERNEL = _IMP_multifit.IMP_EM_HAS_IMP_KERNEL
331 IMP_EM_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_EM_HAS_IMP_SCORE_FUNCTOR
332 IMP_EM_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_EM_HAS_BOOST_FILESYSTEM
333 IMP_EM_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_EM_HAS_BOOST_PROGRAMOPTIONS
334 IMP_EM_HAS_BOOST_RANDOM = _IMP_multifit.IMP_EM_HAS_BOOST_RANDOM
335 IMP_EM_HAS_BOOST_REGEX = _IMP_multifit.IMP_EM_HAS_BOOST_REGEX
336 IMP_EM_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_EM_HAS_BOOST_SYSTEM
337 IMP_EM_HAS_CGAL = _IMP_multifit.IMP_EM_HAS_CGAL
338 IMP_EM_HAS_HDF5 = _IMP_multifit.IMP_EM_HAS_HDF5
339 IMPEM_SHOW_WARNINGS = _IMP_multifit.IMPEM_SHOW_WARNINGS
340 import IMP.em
341 IMP_RMF_HAS_IMP_BASE = _IMP_multifit.IMP_RMF_HAS_IMP_BASE
342 IMP_RMF_HAS_IMP_CGAL = _IMP_multifit.IMP_RMF_HAS_IMP_CGAL
343 IMP_RMF_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_RMF_HAS_IMP_SCORE_FUNCTOR
344 IMP_RMF_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_RMF_HAS_BOOST_FILESYSTEM
345 IMP_RMF_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_RMF_HAS_BOOST_PROGRAMOPTIONS
346 IMP_RMF_HAS_BOOST_RANDOM = _IMP_multifit.IMP_RMF_HAS_BOOST_RANDOM
347 IMP_RMF_HAS_BOOST_REGEX = _IMP_multifit.IMP_RMF_HAS_BOOST_REGEX
348 IMP_RMF_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_RMF_HAS_BOOST_SYSTEM
349 IMP_RMF_HAS_CGAL = _IMP_multifit.IMP_RMF_HAS_CGAL
350 IMP_RMF_HAS_HDF5 = _IMP_multifit.IMP_RMF_HAS_HDF5
351 IMPRMF_SHOW_WARNINGS = _IMP_multifit.IMPRMF_SHOW_WARNINGS
352 import IMP.rmf
353 import RMF
354 IMP_DOMINO_HAS_IMP_ATOM = _IMP_multifit.IMP_DOMINO_HAS_IMP_ATOM
355 IMP_DOMINO_HAS_IMP_BASE = _IMP_multifit.IMP_DOMINO_HAS_IMP_BASE
356 IMP_DOMINO_HAS_IMP_CGAL = _IMP_multifit.IMP_DOMINO_HAS_IMP_CGAL
357 IMP_DOMINO_HAS_IMP_KERNEL = _IMP_multifit.IMP_DOMINO_HAS_IMP_KERNEL
358 IMP_DOMINO_HAS_IMP_RMF = _IMP_multifit.IMP_DOMINO_HAS_IMP_RMF
359 IMP_DOMINO_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_DOMINO_HAS_IMP_SCORE_FUNCTOR
360 IMP_DOMINO_HAS_BOOST_FILESYSTEM = _IMP_multifit.IMP_DOMINO_HAS_BOOST_FILESYSTEM
361 IMP_DOMINO_HAS_BOOST_PROGRAMOPTIONS = _IMP_multifit.IMP_DOMINO_HAS_BOOST_PROGRAMOPTIONS
362 IMP_DOMINO_HAS_BOOST_RANDOM = _IMP_multifit.IMP_DOMINO_HAS_BOOST_RANDOM
363 IMP_DOMINO_HAS_BOOST_REGEX = _IMP_multifit.IMP_DOMINO_HAS_BOOST_REGEX
364 IMP_DOMINO_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_DOMINO_HAS_BOOST_SYSTEM
365 IMP_DOMINO_HAS_CGAL = _IMP_multifit.IMP_DOMINO_HAS_CGAL
366 IMP_DOMINO_HAS_HDF5 = _IMP_multifit.IMP_DOMINO_HAS_HDF5
367 IMP_DOMINO_HAS_RMF = _IMP_multifit.IMP_DOMINO_HAS_RMF
368 IMPDOMINO_SHOW_WARNINGS = _IMP_multifit.IMPDOMINO_SHOW_WARNINGS
369 import RMF_HDF5
370 import IMP.domino
371 IMP_MULTIFIT_HAS_IMP_BASE = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_BASE
372 IMP_MULTIFIT_HAS_IMP_CGAL = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_CGAL
373 IMP_MULTIFIT_HAS_IMP_CONTAINER = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_CONTAINER
374 IMP_MULTIFIT_HAS_IMP_DISPLAY = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_DISPLAY
375 IMP_MULTIFIT_HAS_IMP_KERNEL = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_KERNEL
376 IMP_MULTIFIT_HAS_IMP_RMF = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_RMF
377 IMP_MULTIFIT_HAS_IMP_SCORE_FUNCTOR = _IMP_multifit.IMP_MULTIFIT_HAS_IMP_SCORE_FUNCTOR
378 IMP_MULTIFIT_HAS_BOOST_GRAPH = _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_GRAPH
379 IMP_MULTIFIT_HAS_BOOST_RANDOM = _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_RANDOM
380 IMP_MULTIFIT_HAS_BOOST_REGEX = _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_REGEX
381 IMP_MULTIFIT_HAS_BOOST_SYSTEM = _IMP_multifit.IMP_MULTIFIT_HAS_BOOST_SYSTEM
382 IMP_MULTIFIT_HAS_CGAL = _IMP_multifit.IMP_MULTIFIT_HAS_CGAL
383 IMP_MULTIFIT_HAS_HDF5 = _IMP_multifit.IMP_MULTIFIT_HAS_HDF5
384 IMP_MULTIFIT_HAS_RMF = _IMP_multifit.IMP_MULTIFIT_HAS_RMF
385 IMPMULTIFIT_SHOW_WARNINGS = _IMP_multifit.IMPMULTIFIT_SHOW_WARNINGS
386 _object_types.append("RadiusOfGyrationRestraint")
387 
388 
389 def _object_cast_to_RadiusOfGyrationRestraint(*args):
390  """_object_cast_to_RadiusOfGyrationRestraint(Object o) -> RadiusOfGyrationRestraint"""
391  return _IMP_multifit._object_cast_to_RadiusOfGyrationRestraint(*args)
392 _object_types.append("ComponentHeader")
393 
394 
395 def _object_cast_to_ComponentHeader(*args):
396  """_object_cast_to_ComponentHeader(Object o) -> ComponentHeader"""
397  return _IMP_multifit._object_cast_to_ComponentHeader(*args)
398 _object_types.append("AssemblyHeader")
399 
400 
401 def _object_cast_to_AssemblyHeader(*args):
402  """_object_cast_to_AssemblyHeader(Object o) -> AssemblyHeader"""
403  return _IMP_multifit._object_cast_to_AssemblyHeader(*args)
404 _object_types.append("SettingsData")
405 
406 
407 def _object_cast_to_SettingsData(*args):
408  """_object_cast_to_SettingsData(Object o) -> SettingsData"""
409  return _IMP_multifit._object_cast_to_SettingsData(*args)
410 _object_types.append("WeightedExcludedVolumeRestraint")
411 
412 
413 def _object_cast_to_WeightedExcludedVolumeRestraint(*args):
414  """_object_cast_to_WeightedExcludedVolumeRestraint(Object o) -> WeightedExcludedVolumeRestraint"""
415  return _IMP_multifit._object_cast_to_WeightedExcludedVolumeRestraint(*args)
416 _object_types.append("ComplementarityRestraint")
417 
418 
419 def _object_cast_to_ComplementarityRestraint(*args):
420  """_object_cast_to_ComplementarityRestraint(Object o) -> ComplementarityRestraint"""
421  return _IMP_multifit._object_cast_to_ComplementarityRestraint(*args)
422 ProteinRecordDataList=list
423 _plural_types.append("ProteinRecordDataList")
424 _value_types.append("ProteinRecordData")
425 
426 FittingSolutionRecords=list
427 _plural_types.append("FittingSolutionRecords")
428 _value_types.append("FittingSolutionRecord")
429 
430 AnchorsDataList=list
431 _plural_types.append("AnchorsDataList")
432 _value_types.append("AnchorsData")
433 
434 DominoParamsList=list
435 _plural_types.append("DominoParamsList")
436 _value_types.append("DominoParams")
437 
438 ComplementarityParamsList=list
439 _plural_types.append("ComplementarityParamsList")
440 _value_types.append("ComplementarityParams")
441 
442 XlinkParamsList=list
443 _plural_types.append("XlinkParamsList")
444 _value_types.append("XlinkParams")
445 
446 ConnectivityParamsList=list
447 _plural_types.append("ConnectivityParamsList")
448 _value_types.append("ConnectivityParams")
449 
450 FragmentsParamsList=list
451 _plural_types.append("FragmentsParamsList")
452 _value_types.append("FragmentsParams")
453 
454 RogParamsList=list
455 _plural_types.append("RogParamsList")
456 _value_types.append("RogParams")
457 
458 EVParamsList=list
459 _plural_types.append("EVParamsList")
460 _value_types.append("EVParams")
461 
462 FiltersParamsList=list
463 _plural_types.append("FiltersParamsList")
464 _value_types.append("FiltersParams")
465 
466 AlignmentParamsList=list
467 _plural_types.append("AlignmentParamsList")
468 _value_types.append("AlignmentParams")
469 
470 FittingParamsList=list
471 _plural_types.append("FittingParamsList")
472 _value_types.append("FittingParams")
473 
474 ProteinsAnchorsSamplingSpaces=list
475 _plural_types.append("ProteinsAnchorsSamplingSpaces")
476 _value_types.append("ProteinsAnchorsSamplingSpace")
477 
478 _object_types.append("ProteomicsData")
479 
480 
481 def _object_cast_to_ProteomicsData(*args):
482  """_object_cast_to_ProteomicsData(Object o) -> ProteomicsData"""
483  return _IMP_multifit._object_cast_to_ProteomicsData(*args)
484 _object_types.append("FFTFitting")
485 
486 
487 def _object_cast_to_FFTFitting(*args):
488  """_object_cast_to_FFTFitting(Object o) -> FFTFitting"""
489  return _IMP_multifit._object_cast_to_FFTFitting(*args)
490 _object_types.append("FFTFittingOutput")
491 
492 
493 def _object_cast_to_FFTFittingOutput(*args):
494  """_object_cast_to_FFTFittingOutput(Object o) -> FFTFittingOutput"""
495  return _IMP_multifit._object_cast_to_FFTFittingOutput(*args)
496 _object_types.append("ProbabilisticAnchorGraph")
497 
498 
499 def _object_cast_to_ProbabilisticAnchorGraph(*args):
500  """_object_cast_to_ProbabilisticAnchorGraph(Object o) -> ProbabilisticAnchorGraph"""
501  return _IMP_multifit._object_cast_to_ProbabilisticAnchorGraph(*args)
502 _object_types.append("Ensemble")
503 
504 
505 def _object_cast_to_Ensemble(*args):
506  """_object_cast_to_Ensemble(Object o) -> Ensemble"""
507  return _IMP_multifit._object_cast_to_Ensemble(*args)
508 _object_types.append("ProteomicsEMAlignmentAtomic")
509 
510 
511 def _object_cast_to_ProteomicsEMAlignmentAtomic(*args):
512  """_object_cast_to_ProteomicsEMAlignmentAtomic(Object o) -> ProteomicsEMAlignmentAtomic"""
513  return _IMP_multifit._object_cast_to_ProteomicsEMAlignmentAtomic(*args)
514 
515 def add_surface_index(*args):
516  """
517  add_surface_index(Hierarchy mhd, IMP::Float apix, FloatKey shell_key=FloatKey("surf_ind"), FloatKey radius_key=IMP::core::XYZR::get_radius_key(),
518  FloatKey weight_key=IMP::atom::Mass::get_mass_key())
519  add_surface_index(Hierarchy mhd, IMP::Float apix, FloatKey shell_key=FloatKey("surf_ind"), FloatKey radius_key=IMP::core::XYZR::get_radius_key())
520  add_surface_index(Hierarchy mhd, IMP::Float apix, FloatKey shell_key=FloatKey("surf_ind"))
521  add_surface_index(Hierarchy mhd, IMP::Float apix)
522  """
523  return _IMP_multifit.add_surface_index(*args)
524 
526  """
527  create_weighted_excluded_volume_restraint(RigidBody rb1, RigidBody rb2, FloatKey shell_key=FloatKey("surf_ind")) -> Restraint
528  create_weighted_excluded_volume_restraint(RigidBody rb1, RigidBody rb2) -> Restraint
529  """
530  return _IMP_multifit.create_weighted_excluded_volume_restraint(*args)
531 class FittingSolutionRecord(object):
532  """Proxy of C++ IMP::multifit::FittingSolutionRecord class"""
533  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
534  def __init__(self):
535  """__init__(IMP::multifit::FittingSolutionRecord self) -> FittingSolutionRecord"""
536  this = _IMP_multifit.new_FittingSolutionRecord()
537  try: self.this.append(this)
538  except: self.this = this
539  def get_index(self):
540  """get_index(FittingSolutionRecord self) -> unsigned int"""
541  return _IMP_multifit.FittingSolutionRecord_get_index(self)
542 
543  def set_index(self, *args):
544  """set_index(FittingSolutionRecord self, unsigned int new_ind)"""
545  return _IMP_multifit.FittingSolutionRecord_set_index(self, *args)
546 
547  def get_solution_filename(self):
548  """get_solution_filename(FittingSolutionRecord self) -> std::string"""
549  return _IMP_multifit.FittingSolutionRecord_get_solution_filename(self)
550 
551  def set_solution_filename(self, *args):
552  """set_solution_filename(FittingSolutionRecord self, std::string sol_fn)"""
553  return _IMP_multifit.FittingSolutionRecord_set_solution_filename(self, *args)
554 
555  def get_fit_transformation(self):
556  """get_fit_transformation(FittingSolutionRecord self) -> Transformation3D"""
557  return _IMP_multifit.FittingSolutionRecord_get_fit_transformation(self)
558 
559  def set_fit_transformation(self, *args):
560  """set_fit_transformation(FittingSolutionRecord self, Transformation3D t)"""
561  return _IMP_multifit.FittingSolutionRecord_set_fit_transformation(self, *args)
562 
563  def get_match_size(self):
564  """get_match_size(FittingSolutionRecord self) -> unsigned int"""
565  return _IMP_multifit.FittingSolutionRecord_get_match_size(self)
566 
567  def set_match_size(self, *args):
568  """set_match_size(FittingSolutionRecord self, unsigned int match_size)"""
569  return _IMP_multifit.FittingSolutionRecord_set_match_size(self, *args)
570 
571  def get_match_average_distance(self):
572  """get_match_average_distance(FittingSolutionRecord self) -> IMP::Float"""
573  return _IMP_multifit.FittingSolutionRecord_get_match_average_distance(self)
574 
575  def set_match_average_distance(self, *args):
576  """set_match_average_distance(FittingSolutionRecord self, IMP::Float match_avg_dist)"""
577  return _IMP_multifit.FittingSolutionRecord_set_match_average_distance(self, *args)
578 
579  def get_fitting_score(self):
580  """get_fitting_score(FittingSolutionRecord self) -> IMP::Float"""
581  return _IMP_multifit.FittingSolutionRecord_get_fitting_score(self)
582 
583  def set_fitting_score(self, *args):
584  """set_fitting_score(FittingSolutionRecord self, IMP::Float fit_score)"""
585  return _IMP_multifit.FittingSolutionRecord_set_fitting_score(self, *args)
586 
587  def get_rmsd_to_reference(self):
588  """get_rmsd_to_reference(FittingSolutionRecord self) -> IMP::Float"""
589  return _IMP_multifit.FittingSolutionRecord_get_rmsd_to_reference(self)
590 
591  def set_rmsd_to_reference(self, *args):
592  """set_rmsd_to_reference(FittingSolutionRecord self, IMP::Float rmsd_to_ref)"""
593  return _IMP_multifit.FittingSolutionRecord_set_rmsd_to_reference(self, *args)
594 
595  def get_dock_transformation(self):
596  """get_dock_transformation(FittingSolutionRecord self) -> Transformation3D"""
597  return _IMP_multifit.FittingSolutionRecord_get_dock_transformation(self)
598 
599  def set_dock_transformation(self, *args):
600  """set_dock_transformation(FittingSolutionRecord self, Transformation3D t)"""
601  return _IMP_multifit.FittingSolutionRecord_set_dock_transformation(self, *args)
602 
603  def get_envelope_penetration_score(self):
604  """get_envelope_penetration_score(FittingSolutionRecord self) -> IMP::Float"""
605  return _IMP_multifit.FittingSolutionRecord_get_envelope_penetration_score(self)
606 
607  def set_envelope_penetration_score(self, *args):
608  """set_envelope_penetration_score(FittingSolutionRecord self, IMP::Float s)"""
609  return _IMP_multifit.FittingSolutionRecord_set_envelope_penetration_score(self, *args)
610 
611  def show(self, *args):
612  """
613  show(FittingSolutionRecord self, _ostream out=std::cout)
614  show(FittingSolutionRecord self)
615  """
616  return _IMP_multifit.FittingSolutionRecord_show(self, *args)
617 
618  def get_record_header():
619  """get_record_header() -> std::string"""
620  return _IMP_multifit.FittingSolutionRecord_get_record_header()
621 
622  get_record_header = staticmethod(get_record_header)
623  def __str__(self):
624  """__str__(FittingSolutionRecord self) -> std::string"""
625  return _IMP_multifit.FittingSolutionRecord___str__(self)
626 
627  def __repr__(self):
628  """__repr__(FittingSolutionRecord self) -> std::string"""
629  return _IMP_multifit.FittingSolutionRecord___repr__(self)
630 
631  __swig_destroy__ = _IMP_multifit.delete_FittingSolutionRecord
632  __del__ = lambda self : None;
633 FittingSolutionRecord_swigregister = _IMP_multifit.FittingSolutionRecord_swigregister
634 FittingSolutionRecord_swigregister(FittingSolutionRecord)
635 
636 def FittingSolutionRecord_get_record_header():
637  """FittingSolutionRecord_get_record_header() -> std::string"""
638  return _IMP_multifit.FittingSolutionRecord_get_record_header()
639 
640 
641 def pca_based_rigid_fitting(*args):
642  """
643  pca_based_rigid_fitting(RigidBody rb, Refiner rb_refiner, DensityMap em_map, IMP::Float threshold, FloatKey wei_key=IMP::atom::Mass::get_mass_key(),
644  PrincipalComponentAnalysis3D dens_pca_input=IMP::algebra::PrincipalComponentAnalysis()) -> FittingSolutions
645  pca_based_rigid_fitting(RigidBody rb, Refiner rb_refiner, DensityMap em_map, IMP::Float threshold, FloatKey wei_key=IMP::atom::Mass::get_mass_key()) -> FittingSolutions
646  pca_based_rigid_fitting(RigidBody rb, Refiner rb_refiner, DensityMap em_map, IMP::Float threshold) -> FittingSolutions
647  pca_based_rigid_fitting(IMP::kernel::ParticlesTemp ps, DensityMap em_map, IMP::Float threshold, FloatKey wei_key=IMP::atom::Mass::get_mass_key(),
648  PrincipalComponentAnalysis3D dens_pca_input=IMP::algebra::PrincipalComponentAnalysis()) -> FittingSolutions
649  pca_based_rigid_fitting(IMP::kernel::ParticlesTemp ps, DensityMap em_map, IMP::Float threshold, FloatKey wei_key=IMP::atom::Mass::get_mass_key()) -> FittingSolutions
650  pca_based_rigid_fitting(IMP::kernel::ParticlesTemp ps, DensityMap em_map, IMP::Float threshold) -> FittingSolutions
651  """
652  return _IMP_multifit.pca_based_rigid_fitting(*args)
653 
654 def write_markers(*args):
655  """write_markers(PrincipalComponentAnalysis3D pca, _ostream out)"""
656  return _IMP_multifit.write_markers(*args)
657 class ComponentHeader(IMP.base.Object):
658  """Proxy of C++ IMP::multifit::ComponentHeader class"""
659  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
660  def __init__(self):
661  """__init__(IMP::multifit::ComponentHeader self) -> ComponentHeader"""
662  this = _IMP_multifit.new_ComponentHeader()
663  try: self.this.append(this)
664  except: self.this = this
665  def set_name(self, *args):
666  """set_name(ComponentHeader self, std::string const & name)"""
667  return _IMP_multifit.ComponentHeader_set_name(self, *args)
668 
669  def get_name(self):
670  """get_name(ComponentHeader self) -> std::string"""
671  return _IMP_multifit.ComponentHeader_get_name(self)
672 
673  def get_filename(self):
674  """get_filename(ComponentHeader self) -> std::string"""
675  return _IMP_multifit.ComponentHeader_get_filename(self)
676 
677  def set_filename(self, *args):
678  """set_filename(ComponentHeader self, std::string const & filename)"""
679  return _IMP_multifit.ComponentHeader_set_filename(self, *args)
680 
681  def get_surface_fn(self):
682  """get_surface_fn(ComponentHeader self) -> std::string"""
683  return _IMP_multifit.ComponentHeader_get_surface_fn(self)
684 
685  def set_surface_fn(self, *args):
686  """set_surface_fn(ComponentHeader self, std::string const & fn)"""
687  return _IMP_multifit.ComponentHeader_set_surface_fn(self, *args)
688 
689  def set_txt_ap_fn(self, *args):
690  """set_txt_ap_fn(ComponentHeader self, std::string const & pdb_ap_fn)"""
691  return _IMP_multifit.ComponentHeader_set_txt_ap_fn(self, *args)
692 
693  def get_txt_ap_fn(self):
694  """get_txt_ap_fn(ComponentHeader self) -> std::string"""
695  return _IMP_multifit.ComponentHeader_get_txt_ap_fn(self)
696 
697  def set_txt_fine_ap_fn(self, *args):
698  """set_txt_fine_ap_fn(ComponentHeader self, std::string const & pdb_ap_fn)"""
699  return _IMP_multifit.ComponentHeader_set_txt_fine_ap_fn(self, *args)
700 
701  def get_txt_fine_ap_fn(self):
702  """get_txt_fine_ap_fn(ComponentHeader self) -> std::string"""
703  return _IMP_multifit.ComponentHeader_get_txt_fine_ap_fn(self)
704 
705  def set_num_ap(self, *args):
706  """set_num_ap(ComponentHeader self, int num_ap)"""
707  return _IMP_multifit.ComponentHeader_set_num_ap(self, *args)
708 
709  def get_num_ap(self):
710  """get_num_ap(ComponentHeader self) -> int"""
711  return _IMP_multifit.ComponentHeader_get_num_ap(self)
712 
713  def set_num_fine_ap(self, *args):
714  """set_num_fine_ap(ComponentHeader self, int num_ap)"""
715  return _IMP_multifit.ComponentHeader_set_num_fine_ap(self, *args)
716 
717  def get_num_fine_ap(self):
718  """get_num_fine_ap(ComponentHeader self) -> int"""
719  return _IMP_multifit.ComponentHeader_get_num_fine_ap(self)
720 
721  def set_transformations_fn(self, *args):
722  """set_transformations_fn(ComponentHeader self, std::string transformations_fn)"""
723  return _IMP_multifit.ComponentHeader_set_transformations_fn(self, *args)
724 
725  def get_transformations_fn(self):
726  """get_transformations_fn(ComponentHeader self) -> std::string"""
727  return _IMP_multifit.ComponentHeader_get_transformations_fn(self)
728 
729  def set_reference_fn(self, *args):
730  """set_reference_fn(ComponentHeader self, std::string const & ref_fn)"""
731  return _IMP_multifit.ComponentHeader_set_reference_fn(self, *args)
732 
733  def get_reference_fn(self):
734  """get_reference_fn(ComponentHeader self) -> std::string"""
735  return _IMP_multifit.ComponentHeader_get_reference_fn(self)
736 
737  def get_version_info(self):
738  """get_version_info(ComponentHeader self) -> VersionInfo"""
739  return _IMP_multifit.ComponentHeader_get_version_info(self)
740 
741  def __str__(self):
742  """__str__(ComponentHeader self) -> std::string"""
743  return _IMP_multifit.ComponentHeader___str__(self)
744 
745  def __repr__(self):
746  """__repr__(ComponentHeader self) -> std::string"""
747  return _IMP_multifit.ComponentHeader___repr__(self)
748 
749  def get_from(o):
750  return _object_cast_to_ComponentHeader(o)
751  get_from = staticmethod(get_from)
752 
753 ComponentHeader_swigregister = _IMP_multifit.ComponentHeader_swigregister
754 ComponentHeader_swigregister(ComponentHeader)
755 
756 class AssemblyHeader(IMP.base.Object):
757  """Proxy of C++ IMP::multifit::AssemblyHeader class"""
758  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
759  def __init__(self):
760  """__init__(IMP::multifit::AssemblyHeader self) -> AssemblyHeader"""
761  this = _IMP_multifit.new_AssemblyHeader()
762  try: self.this.append(this)
763  except: self.this = this
764  def set_dens_fn(self, *args):
765  """set_dens_fn(AssemblyHeader self, std::string const & dens_fn)"""
766  return _IMP_multifit.AssemblyHeader_set_dens_fn(self, *args)
767 
768  def get_dens_fn(self):
769  """get_dens_fn(AssemblyHeader self) -> std::string"""
770  return _IMP_multifit.AssemblyHeader_get_dens_fn(self)
771 
772  def set_resolution(self, *args):
773  """set_resolution(AssemblyHeader self, float res)"""
774  return _IMP_multifit.AssemblyHeader_set_resolution(self, *args)
775 
776  def get_resolution(self):
777  """get_resolution(AssemblyHeader self) -> float"""
778  return _IMP_multifit.AssemblyHeader_get_resolution(self)
779 
780  def get_spacing(self):
781  """get_spacing(AssemblyHeader self) -> float"""
782  return _IMP_multifit.AssemblyHeader_get_spacing(self)
783 
784  def set_spacing(self, *args):
785  """set_spacing(AssemblyHeader self, float spacing)"""
786  return _IMP_multifit.AssemblyHeader_set_spacing(self, *args)
787 
788  def set_threshold(self, *args):
789  """set_threshold(AssemblyHeader self, float t)"""
790  return _IMP_multifit.AssemblyHeader_set_threshold(self, *args)
791 
792  def get_threshold(self):
793  """get_threshold(AssemblyHeader self) -> float"""
794  return _IMP_multifit.AssemblyHeader_get_threshold(self)
795 
796  def get_origin(self):
797  """get_origin(AssemblyHeader self) -> Vector3D"""
798  return _IMP_multifit.AssemblyHeader_get_origin(self)
799 
800  def set_origin(self, *args):
801  """set_origin(AssemblyHeader self, Vector3D origin)"""
802  return _IMP_multifit.AssemblyHeader_set_origin(self, *args)
803 
804  def get_coarse_ap_fn(self):
805  """get_coarse_ap_fn(AssemblyHeader self) -> std::string"""
806  return _IMP_multifit.AssemblyHeader_get_coarse_ap_fn(self)
807 
808  def set_coarse_ap_fn(self, *args):
809  """set_coarse_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
810  return _IMP_multifit.AssemblyHeader_set_coarse_ap_fn(self, *args)
811 
812  def get_coarse_over_sampled_ap_fn(self):
813  """get_coarse_over_sampled_ap_fn(AssemblyHeader self) -> std::string"""
814  return _IMP_multifit.AssemblyHeader_get_coarse_over_sampled_ap_fn(self)
815 
816  def set_coarse_over_sampled_ap_fn(self, *args):
817  """set_coarse_over_sampled_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
818  return _IMP_multifit.AssemblyHeader_set_coarse_over_sampled_ap_fn(self, *args)
819 
820  def get_fine_ap_fn(self):
821  """get_fine_ap_fn(AssemblyHeader self) -> std::string"""
822  return _IMP_multifit.AssemblyHeader_get_fine_ap_fn(self)
823 
824  def set_fine_ap_fn(self, *args):
825  """set_fine_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
826  return _IMP_multifit.AssemblyHeader_set_fine_ap_fn(self, *args)
827 
828  def get_fine_over_sampled_ap_fn(self):
829  """get_fine_over_sampled_ap_fn(AssemblyHeader self) -> std::string"""
830  return _IMP_multifit.AssemblyHeader_get_fine_over_sampled_ap_fn(self)
831 
832  def set_fine_over_sampled_ap_fn(self, *args):
833  """set_fine_over_sampled_ap_fn(AssemblyHeader self, std::string const & new_fn)"""
834  return _IMP_multifit.AssemblyHeader_set_fine_over_sampled_ap_fn(self, *args)
835 
836  def get_version_info(self):
837  """get_version_info(AssemblyHeader self) -> VersionInfo"""
838  return _IMP_multifit.AssemblyHeader_get_version_info(self)
839 
840  def __str__(self):
841  """__str__(AssemblyHeader self) -> std::string"""
842  return _IMP_multifit.AssemblyHeader___str__(self)
843 
844  def __repr__(self):
845  """__repr__(AssemblyHeader self) -> std::string"""
846  return _IMP_multifit.AssemblyHeader___repr__(self)
847 
848  def get_from(o):
849  return _object_cast_to_AssemblyHeader(o)
850  get_from = staticmethod(get_from)
851 
852 AssemblyHeader_swigregister = _IMP_multifit.AssemblyHeader_swigregister
853 AssemblyHeader_swigregister(AssemblyHeader)
854 
855 class SettingsData(IMP.base.Object):
856  """Proxy of C++ IMP::multifit::SettingsData class"""
857  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
858  def __init__(self):
859  """__init__(IMP::multifit::SettingsData self) -> SettingsData"""
860  this = _IMP_multifit.new_SettingsData()
861  try: self.this.append(this)
862  except: self.this = this
863  def show_component_header_line(*args):
864  """
865  show_component_header_line(_ostream out=std::cout)
866  show_component_header_line()
867  """
868  return _IMP_multifit.SettingsData_show_component_header_line(*args)
869 
870  show_component_header_line = staticmethod(show_component_header_line)
871  def get_component_header_line():
872  """get_component_header_line() -> std::string"""
873  return _IMP_multifit.SettingsData_get_component_header_line()
874 
875  get_component_header_line = staticmethod(get_component_header_line)
876  def show_density_header_line(*args):
877  """
878  show_density_header_line(_ostream out=std::cout)
879  show_density_header_line()
880  """
881  return _IMP_multifit.SettingsData_show_density_header_line(*args)
882 
883  show_density_header_line = staticmethod(show_density_header_line)
884  def get_density_header_line():
885  """get_density_header_line() -> std::string"""
886  return _IMP_multifit.SettingsData_get_density_header_line()
887 
888  get_density_header_line = staticmethod(get_density_header_line)
889  def set_assembly_filename(self, *args):
890  """set_assembly_filename(SettingsData self, std::string const & fn)"""
891  return _IMP_multifit.SettingsData_set_assembly_filename(self, *args)
892 
893  def get_assembly_filename(self):
894  """get_assembly_filename(SettingsData self) -> char const *"""
895  return _IMP_multifit.SettingsData_get_assembly_filename(self)
896 
897  def set_assembly_header(self, *args):
898  """set_assembly_header(SettingsData self, AssemblyHeader h)"""
899  return _IMP_multifit.SettingsData_set_assembly_header(self, *args)
900 
901  def get_assembly_header(self):
902  """get_assembly_header(SettingsData self) -> AssemblyHeader"""
903  return _IMP_multifit.SettingsData_get_assembly_header(self)
904 
905  def set_data_path(self, *args):
906  """set_data_path(SettingsData self, std::string const & fn)"""
907  return _IMP_multifit.SettingsData_set_data_path(self, *args)
908 
909  def get_data_path(self):
910  """get_data_path(SettingsData self) -> std::string"""
911  return _IMP_multifit.SettingsData_get_data_path(self)
912 
913  def get_version_info(self):
914  """get_version_info(SettingsData self) -> VersionInfo"""
915  return _IMP_multifit.SettingsData_get_version_info(self)
916 
917  def remove_component_header(self, *args):
918  """remove_component_header(SettingsData self, ComponentHeader d)"""
919  return _IMP_multifit.SettingsData_remove_component_header(self, *args)
920 
921  def remove_component_headers(self, *args):
922  """remove_component_headers(SettingsData self, IMP::multifit::ComponentHeaders const & d)"""
923  return _IMP_multifit.SettingsData_remove_component_headers(self, *args)
924 
925  def set_component_headers(self, *args):
926  """set_component_headers(SettingsData self, IMP::multifit::ComponentHeaders const & ps)"""
927  return _IMP_multifit.SettingsData_set_component_headers(self, *args)
928 
929  def set_component_headers_order(self, *args):
930  """set_component_headers_order(SettingsData self, IMP::multifit::ComponentHeaders const & objs)"""
931  return _IMP_multifit.SettingsData_set_component_headers_order(self, *args)
932 
933  def add_component_header(self, *args):
934  """add_component_header(SettingsData self, ComponentHeader obj) -> unsigned int"""
935  return _IMP_multifit.SettingsData_add_component_header(self, *args)
936 
937  def add_component_headers(self, *args):
938  """add_component_headers(SettingsData self, IMP::multifit::ComponentHeaders const & objs)"""
939  return _IMP_multifit.SettingsData_add_component_headers(self, *args)
940 
941  def clear_component_headers(self):
942  """clear_component_headers(SettingsData self)"""
943  return _IMP_multifit.SettingsData_clear_component_headers(self)
944 
945  def get_number_of_component_headers(self):
946  """get_number_of_component_headers(SettingsData self) -> unsigned int"""
947  return _IMP_multifit.SettingsData_get_number_of_component_headers(self)
948 
949  def get_has_component_headers(self):
950  """get_has_component_headers(SettingsData self) -> bool"""
951  return _IMP_multifit.SettingsData_get_has_component_headers(self)
952 
953  def get_component_header(self, *args):
954  """get_component_header(SettingsData self, unsigned int i) -> ComponentHeader"""
955  return _IMP_multifit.SettingsData_get_component_header(self, *args)
956 
957  def get_component_headers(self):
958  """get_component_headers(SettingsData self) -> IMP::multifit::ComponentHeaders"""
959  return _IMP_multifit.SettingsData_get_component_headers(self)
960 
961  def reserve_component_headers(self, *args):
962  """reserve_component_headers(SettingsData self, unsigned int sz)"""
963  return _IMP_multifit.SettingsData_reserve_component_headers(self, *args)
964 
965  def __str__(self):
966  """__str__(SettingsData self) -> std::string"""
967  return _IMP_multifit.SettingsData___str__(self)
968 
969  def __repr__(self):
970  """__repr__(SettingsData self) -> std::string"""
971  return _IMP_multifit.SettingsData___repr__(self)
972 
973  def get_from(o):
974  return _object_cast_to_SettingsData(o)
975  get_from = staticmethod(get_from)
976 
977 SettingsData_swigregister = _IMP_multifit.SettingsData_swigregister
978 SettingsData_swigregister(SettingsData)
979 
980 def SettingsData_show_component_header_line(*args):
981  """
982  show_component_header_line(_ostream out=std::cout)
983  SettingsData_show_component_header_line()
984  """
985  return _IMP_multifit.SettingsData_show_component_header_line(*args)
986 
987 def SettingsData_get_component_header_line():
988  """SettingsData_get_component_header_line() -> std::string"""
989  return _IMP_multifit.SettingsData_get_component_header_line()
990 
991 def SettingsData_show_density_header_line(*args):
992  """
993  show_density_header_line(_ostream out=std::cout)
994  SettingsData_show_density_header_line()
995  """
996  return _IMP_multifit.SettingsData_show_density_header_line(*args)
997 
998 def SettingsData_get_density_header_line():
999  """SettingsData_get_density_header_line() -> std::string"""
1000  return _IMP_multifit.SettingsData_get_density_header_line()
1001 
1002 
1003 def read_settings(*args):
1004  """read_settings(char const * filename) -> SettingsData"""
1005  return _IMP_multifit.read_settings(*args)
1006 
1007 def write_settings(*args):
1008  """write_settings(char const * filename, SettingsData sd)"""
1009  return _IMP_multifit.write_settings(*args)
1010 class WeightedExcludedVolumeRestraint(IMP.kernel.Restraint):
1011  """Proxy of C++ IMP::multifit::WeightedExcludedVolumeRestraint class"""
1012  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1013  def __init__(self, *args):
1014  """
1015  __init__(IMP::multifit::WeightedExcludedVolumeRestraint self, IMP::core::RigidBodies rbs, Refiner refiner, FloatKey weight_key=IMP::atom::Mass::get_mass_key()) -> WeightedExcludedVolumeRestraint
1016  __init__(IMP::multifit::WeightedExcludedVolumeRestraint self, IMP::core::RigidBodies rbs, Refiner refiner) -> WeightedExcludedVolumeRestraint
1017  """
1018  this = _IMP_multifit.new_WeightedExcludedVolumeRestraint(*args)
1019  try: self.this.append(this)
1020  except: self.this = this
1021  def do_get_inputs(self):
1022  """do_get_inputs(WeightedExcludedVolumeRestraint self) -> IMP::kernel::ModelObjectsTemp"""
1023  return _IMP_multifit.WeightedExcludedVolumeRestraint_do_get_inputs(self)
1024 
1025  def get_version_info(self):
1026  """get_version_info(WeightedExcludedVolumeRestraint self) -> VersionInfo"""
1027  return _IMP_multifit.WeightedExcludedVolumeRestraint_get_version_info(self)
1028 
1029  def __str__(self):
1030  """__str__(WeightedExcludedVolumeRestraint self) -> std::string"""
1031  return _IMP_multifit.WeightedExcludedVolumeRestraint___str__(self)
1032 
1033  def __repr__(self):
1034  """__repr__(WeightedExcludedVolumeRestraint self) -> std::string"""
1035  return _IMP_multifit.WeightedExcludedVolumeRestraint___repr__(self)
1036 
1037  def get_from(o):
1038  return _object_cast_to_WeightedExcludedVolumeRestraint(o)
1039  get_from = staticmethod(get_from)
1040 
1041 WeightedExcludedVolumeRestraint_swigregister = _IMP_multifit.WeightedExcludedVolumeRestraint_swigregister
1042 WeightedExcludedVolumeRestraint_swigregister(WeightedExcludedVolumeRestraint)
1043 
1044 class FFTFittingOutput(IMP.base.Object):
1045  """Proxy of C++ IMP::multifit::FFTFittingOutput class"""
1046  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1047  def __init__(self):
1048  """__init__(IMP::multifit::FFTFittingOutput self) -> FFTFittingOutput"""
1049  this = _IMP_multifit.new_FFTFittingOutput()
1050  try: self.this.append(this)
1051  except: self.this = this
1052  def get_version_info(self):
1053  """get_version_info(FFTFittingOutput self) -> VersionInfo"""
1054  return _IMP_multifit.FFTFittingOutput_get_version_info(self)
1055 
1056  best_fits_ = _swig_property(_IMP_multifit.FFTFittingOutput_best_fits__get, _IMP_multifit.FFTFittingOutput_best_fits__set)
1057  best_trans_per_rot_ = _swig_property(_IMP_multifit.FFTFittingOutput_best_trans_per_rot__get, _IMP_multifit.FFTFittingOutput_best_trans_per_rot__set)
1058  def __str__(self):
1059  """__str__(FFTFittingOutput self) -> std::string"""
1060  return _IMP_multifit.FFTFittingOutput___str__(self)
1061 
1062  def __repr__(self):
1063  """__repr__(FFTFittingOutput self) -> std::string"""
1064  return _IMP_multifit.FFTFittingOutput___repr__(self)
1065 
1066  def get_from(o):
1067  return _object_cast_to_FFTFittingOutput(o)
1068  get_from = staticmethod(get_from)
1069 
1070 FFTFittingOutput_swigregister = _IMP_multifit.FFTFittingOutput_swigregister
1071 FFTFittingOutput_swigregister(FFTFittingOutput)
1072 
1073 class FFTFitting(IMP.base.Object):
1074  """Proxy of C++ IMP::multifit::FFTFitting class"""
1075  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1076  def get_version_info(self):
1077  """get_version_info(FFTFitting self) -> VersionInfo"""
1078  return _IMP_multifit.FFTFitting_get_version_info(self)
1079 
1080  def __init__(self):
1081  """__init__(IMP::multifit::FFTFitting self) -> FFTFitting"""
1082  this = _IMP_multifit.new_FFTFitting()
1083  try: self.this.append(this)
1084  except: self.this = this
1085  def do_global_fitting(self, *args):
1086  """
1087  do_global_fitting(FFTFitting self, DensityMap dmap, double density_threshold, Hierarchy mol2fit, double angle_sampling_interval_rad,
1088  int num_fits_to_report, double max_clustering_translation,
1089  double max_clustering_angle, bool cluster_fits=True, int num_angle_per_voxel=1,
1090  std::string const & angles_filename="") -> FFTFittingOutput
1091  do_global_fitting(FFTFitting self, DensityMap dmap, double density_threshold, Hierarchy mol2fit, double angle_sampling_interval_rad,
1092  int num_fits_to_report, double max_clustering_translation,
1093  double max_clustering_angle, bool cluster_fits=True, int num_angle_per_voxel=1) -> FFTFittingOutput
1094  do_global_fitting(FFTFitting self, DensityMap dmap, double density_threshold, Hierarchy mol2fit, double angle_sampling_interval_rad,
1095  int num_fits_to_report, double max_clustering_translation,
1096  double max_clustering_angle, bool cluster_fits=True) -> FFTFittingOutput
1097  do_global_fitting(FFTFitting self, DensityMap dmap, double density_threshold, Hierarchy mol2fit, double angle_sampling_interval_rad,
1098  int num_fits_to_report, double max_clustering_translation,
1099  double max_clustering_angle) -> FFTFittingOutput
1100  """
1101  return _IMP_multifit.FFTFitting_do_global_fitting(self, *args)
1102 
1103  def do_local_fitting(self, *args):
1104  """
1105  do_local_fitting(FFTFitting self, DensityMap dmap, double density_threshold, Hierarchy mol2fit, double angle_sampling_interval_rad,
1106  double max_angle_sampling_rad, double max_translation, int num_fits_to_report,
1107  bool cluster_fits, int num_angle_per_voxel, double max_clustering_translation,
1108  double max_clustering_rotation, std::string const & angles_filename="") -> FFTFittingOutput
1109  do_local_fitting(FFTFitting self, DensityMap dmap, double density_threshold, Hierarchy mol2fit, double angle_sampling_interval_rad,
1110  double max_angle_sampling_rad, double max_translation, int num_fits_to_report,
1111  bool cluster_fits, int num_angle_per_voxel, double max_clustering_translation,
1112  double max_clustering_rotation) -> FFTFittingOutput
1113  """
1114  return _IMP_multifit.FFTFitting_do_local_fitting(self, *args)
1115 
1116  def __str__(self):
1117  """__str__(FFTFitting self) -> std::string"""
1118  return _IMP_multifit.FFTFitting___str__(self)
1119 
1120  def __repr__(self):
1121  """__repr__(FFTFitting self) -> std::string"""
1122  return _IMP_multifit.FFTFitting___repr__(self)
1123 
1124  def get_from(o):
1125  return _object_cast_to_FFTFitting(o)
1126  get_from = staticmethod(get_from)
1127 
1128 FFTFitting_swigregister = _IMP_multifit.FFTFitting_swigregister
1129 FFTFitting_swigregister(FFTFitting)
1130 
1131 
1132 def fft_based_rigid_fitting(*args):
1133  """fft_based_rigid_fitting(Hierarchy mol2fit, DensityMap dmap, double density_threshold, double angle_sampling_interval_rad) -> IMP::multifit::FittingSolutionRecords"""
1134  return _IMP_multifit.fft_based_rigid_fitting(*args)
1135 
1136 def remove_background(*args):
1137  """remove_background(DensityMap dmap, float threshold, float edge_threshold) -> DensityMap"""
1138  return _IMP_multifit.remove_background(*args)
1139 
1140 def get_connected_components(*args):
1141  """get_connected_components(DensityMap dmap, float threshold, float edge_threshold) -> IMP::IntsList"""
1142  return _IMP_multifit.get_connected_components(*args)
1143 
1144 def get_segmentation(*args):
1145  """
1146  get_segmentation(DensityMap dmap, double apix, double density_threshold, int num_means, std::string const pdb_filename,
1147  std::string const cmm_filename, std::string const seg_filename,
1148  std::string const txt_filename)
1149  """
1150  return _IMP_multifit.get_segmentation(*args)
1151 class ComplementarityRestraint(IMP.kernel.Restraint):
1152  """Proxy of C++ IMP::multifit::ComplementarityRestraint class"""
1153  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1154  def __init__(self, *args):
1155  """
1156  __init__(IMP::multifit::ComplementarityRestraint self, IMP::kernel::ParticlesTemp const & a, IMP::kernel::ParticlesTemp const & b, std::string name="ComplementarityRestraint %1%") -> ComplementarityRestraint
1157  __init__(IMP::multifit::ComplementarityRestraint self, IMP::kernel::ParticlesTemp const & a, IMP::kernel::ParticlesTemp const & b) -> ComplementarityRestraint
1158  """
1159  this = _IMP_multifit.new_ComplementarityRestraint(*args)
1160  try: self.this.append(this)
1161  except: self.this = this
1162  def set_maximum_penetration_score(self, *args):
1163  """set_maximum_penetration_score(ComplementarityRestraint self, double s)"""
1164  return _IMP_multifit.ComplementarityRestraint_set_maximum_penetration_score(self, *args)
1165 
1166  def set_maximum_penetration(self, *args):
1167  """set_maximum_penetration(ComplementarityRestraint self, double d)"""
1168  return _IMP_multifit.ComplementarityRestraint_set_maximum_penetration(self, *args)
1169 
1170  def set_maximum_separation(self, *args):
1171  """set_maximum_separation(ComplementarityRestraint self, double s)"""
1172  return _IMP_multifit.ComplementarityRestraint_set_maximum_separation(self, *args)
1173 
1174  def set_complementarity_thickness(self, *args):
1175  """set_complementarity_thickness(ComplementarityRestraint self, double th)"""
1176  return _IMP_multifit.ComplementarityRestraint_set_complementarity_thickness(self, *args)
1177 
1178  def set_complementarity_value(self, *args):
1179  """set_complementarity_value(ComplementarityRestraint self, double th)"""
1180  return _IMP_multifit.ComplementarityRestraint_set_complementarity_value(self, *args)
1181 
1182  def set_interior_layer_thickness(self, *args):
1183  """set_interior_layer_thickness(ComplementarityRestraint self, double th)"""
1184  return _IMP_multifit.ComplementarityRestraint_set_interior_layer_thickness(self, *args)
1185 
1186  def set_penetration_coefficient(self, *args):
1187  """set_penetration_coefficient(ComplementarityRestraint self, double pc)"""
1188  return _IMP_multifit.ComplementarityRestraint_set_penetration_coefficient(self, *args)
1189 
1190  def set_complementarity_coefficient(self, *args):
1191  """set_complementarity_coefficient(ComplementarityRestraint self, double cc)"""
1192  return _IMP_multifit.ComplementarityRestraint_set_complementarity_coefficient(self, *args)
1193 
1194  def set_boundary_coefficient(self, *args):
1195  """set_boundary_coefficient(ComplementarityRestraint self, double bc)"""
1196  return _IMP_multifit.ComplementarityRestraint_set_boundary_coefficient(self, *args)
1197 
1198  def get_voxel_size(self):
1199  """get_voxel_size(ComplementarityRestraint self) -> float"""
1200  return _IMP_multifit.ComplementarityRestraint_get_voxel_size(self)
1201 
1202  def do_get_inputs(self):
1203  """do_get_inputs(ComplementarityRestraint self) -> IMP::kernel::ModelObjectsTemp"""
1204  return _IMP_multifit.ComplementarityRestraint_do_get_inputs(self)
1205 
1206  def get_version_info(self):
1207  """get_version_info(ComplementarityRestraint self) -> VersionInfo"""
1208  return _IMP_multifit.ComplementarityRestraint_get_version_info(self)
1209 
1210  def __str__(self):
1211  """__str__(ComplementarityRestraint self) -> std::string"""
1212  return _IMP_multifit.ComplementarityRestraint___str__(self)
1213 
1214  def __repr__(self):
1215  """__repr__(ComplementarityRestraint self) -> std::string"""
1216  return _IMP_multifit.ComplementarityRestraint___repr__(self)
1217 
1218  def get_from(o):
1219  return _object_cast_to_ComplementarityRestraint(o)
1220  get_from = staticmethod(get_from)
1221 
1222 ComplementarityRestraint_swigregister = _IMP_multifit.ComplementarityRestraint_swigregister
1223 ComplementarityRestraint_swigregister(ComplementarityRestraint)
1224 
1225 
1226 def read_fitting_solutions(*args):
1227  """read_fitting_solutions(char const * fitting_fn) -> IMP::multifit::FittingSolutionRecords"""
1228  return _IMP_multifit.read_fitting_solutions(*args)
1229 
1230 def write_fitting_solutions(*args):
1231  """
1232  write_fitting_solutions(char const * fitting_fn, IMP::multifit::FittingSolutionRecords const & fit_sols,
1233  int num_sols=-1)
1234  write_fitting_solutions(char const * fitting_fn, IMP::multifit::FittingSolutionRecords const & fit_sols)
1235  """
1236  return _IMP_multifit.write_fitting_solutions(*args)
1237 
1238 def convert_em_to_multifit_format(*args):
1239  """convert_em_to_multifit_format(FittingSolutions em_fits) -> IMP::multifit::FittingSolutionRecords"""
1240  return _IMP_multifit.convert_em_to_multifit_format(*args)
1241 
1242 def convert_multifit_to_em_format(*args):
1243  """convert_multifit_to_em_format(IMP::multifit::FittingSolutionRecords const & multifit_fits) -> FittingSolutions"""
1244  return _IMP_multifit.convert_multifit_to_em_format(*args)
1245 
1246 def convert_transformations_to_multifit_format(*args):
1247  """convert_transformations_to_multifit_format(IMP::algebra::Transformation3Ds const & trans) -> IMP::multifit::FittingSolutionRecords"""
1248  return _IMP_multifit.convert_transformations_to_multifit_format(*args)
1249 
1250 def convert_multifit_format_to_transformations(*args):
1251  """convert_multifit_format_to_transformations(IMP::multifit::FittingSolutionRecords const & recs) -> IMP::algebra::Transformation3Ds"""
1252  return _IMP_multifit.convert_multifit_format_to_transformations(*args)
1253 
1254 def get_close_to_point(*args):
1255  """
1256  get_close_to_point(IMP::multifit::FittingSolutionRecords const & fit_sols, Hierarchy mh, Particle ap,
1257  IMP::Float dist) -> IMP::multifit::FittingSolutionRecords
1258  """
1259  return _IMP_multifit.get_close_to_point(*args)
1260 class ProbabilisticAnchorGraph(IMP.base.Object):
1261  """Proxy of C++ IMP::multifit::ProbabilisticAnchorGraph class"""
1262  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1263  def __init__(self, *args):
1264  """__init__(IMP::multifit::ProbabilisticAnchorGraph self, IMP::algebra::Vector3Ds anchor_positions) -> ProbabilisticAnchorGraph"""
1265  this = _IMP_multifit.new_ProbabilisticAnchorGraph(*args)
1266  try: self.this.append(this)
1267  except: self.this = this
1268  def add_edge(self, *args):
1269  """add_edge(ProbabilisticAnchorGraph self, int i, int j)"""
1270  return _IMP_multifit.ProbabilisticAnchorGraph_add_edge(self, *args)
1271 
1272  def set_particle_probabilities_on_anchors(self, *args):
1273  """set_particle_probabilities_on_anchors(ProbabilisticAnchorGraph self, Particle p, IMP::multifit::FittingSolutionRecords sols)"""
1274  return _IMP_multifit.ProbabilisticAnchorGraph_set_particle_probabilities_on_anchors(self, *args)
1275 
1276  def show(self, *args):
1277  """
1278  show(ProbabilisticAnchorGraph self, _ostream out=std::cout)
1279  show(ProbabilisticAnchorGraph self)
1280  """
1281  return _IMP_multifit.ProbabilisticAnchorGraph_show(self, *args)
1282 
1283  def get_number_of_anchors(self):
1284  """get_number_of_anchors(ProbabilisticAnchorGraph self) -> unsigned int"""
1285  return _IMP_multifit.ProbabilisticAnchorGraph_get_number_of_anchors(self)
1286 
1287  def get_number_of_edges(self):
1288  """get_number_of_edges(ProbabilisticAnchorGraph self) -> unsigned int"""
1289  return _IMP_multifit.ProbabilisticAnchorGraph_get_number_of_edges(self)
1290 
1291  def get_edge_list(self):
1292  """get_edge_list(ProbabilisticAnchorGraph self) -> IMP::IntRanges"""
1293  return _IMP_multifit.ProbabilisticAnchorGraph_get_edge_list(self)
1294 
1295  def get_anchors(self):
1296  """get_anchors(ProbabilisticAnchorGraph self) -> IMP::algebra::Vector3Ds"""
1297  return _IMP_multifit.ProbabilisticAnchorGraph_get_anchors(self)
1298 
1299  def get_particle_anchors(self, *args):
1300  """
1301  get_particle_anchors(ProbabilisticAnchorGraph self, Particle p, float min_prob=0) -> IMP::algebra::Vector3Ds
1302  get_particle_anchors(ProbabilisticAnchorGraph self, Particle p) -> IMP::algebra::Vector3Ds
1303  """
1304  return _IMP_multifit.ProbabilisticAnchorGraph_get_particle_anchors(self, *args)
1305 
1306  def get_are_probabilities_for_particle_set(self, *args):
1307  """get_are_probabilities_for_particle_set(ProbabilisticAnchorGraph self, Particle p) -> bool"""
1308  return _IMP_multifit.ProbabilisticAnchorGraph_get_are_probabilities_for_particle_set(self, *args)
1309 
1310  def get_particle_probabilities(self, *args):
1311  """get_particle_probabilities(ProbabilisticAnchorGraph self, Particle p) -> IMP::Floats"""
1312  return _IMP_multifit.ProbabilisticAnchorGraph_get_particle_probabilities(self, *args)
1313 
1314  def get_version_info(self):
1315  """get_version_info(ProbabilisticAnchorGraph self) -> VersionInfo"""
1316  return _IMP_multifit.ProbabilisticAnchorGraph_get_version_info(self)
1317 
1318  def __str__(self):
1319  """__str__(ProbabilisticAnchorGraph self) -> std::string"""
1320  return _IMP_multifit.ProbabilisticAnchorGraph___str__(self)
1321 
1322  def __repr__(self):
1323  """__repr__(ProbabilisticAnchorGraph self) -> std::string"""
1324  return _IMP_multifit.ProbabilisticAnchorGraph___repr__(self)
1325 
1326  def get_from(o):
1327  return _object_cast_to_ProbabilisticAnchorGraph(o)
1328  get_from = staticmethod(get_from)
1329 
1330 ProbabilisticAnchorGraph_swigregister = _IMP_multifit.ProbabilisticAnchorGraph_swigregister
1331 ProbabilisticAnchorGraph_swigregister(ProbabilisticAnchorGraph)
1332 
1333 class ProteinRecordData(object):
1334  """Proxy of C++ IMP::multifit::ProteinRecordData class"""
1335  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1336  def reset_all(self):
1337  """reset_all(ProteinRecordData self)"""
1338  return _IMP_multifit.ProteinRecordData_reset_all(self)
1339 
1340  def __init__(self, *args):
1341  """
1342  __init__(IMP::multifit::ProteinRecordData self) -> ProteinRecordData
1343  __init__(IMP::multifit::ProteinRecordData self, std::string const & name) -> ProteinRecordData
1344  __init__(IMP::multifit::ProteinRecordData self, std::string const & name, std::string const fn) -> ProteinRecordData
1345  __init__(IMP::multifit::ProteinRecordData self, std::string const & name, int start_res, int end_res, std::string const fn) -> ProteinRecordData
1346  __init__(IMP::multifit::ProteinRecordData self, std::string const & name, int start_res, int end_res, std::string const & fn, std::string const & surface_fn,
1347  std::string const & ref_fn) -> ProteinRecordData
1348  """
1349  this = _IMP_multifit.new_ProteinRecordData(*args)
1350  try: self.this.append(this)
1351  except: self.this = this
1352  def show(self, *args):
1353  """
1354  show(ProteinRecordData self, _ostream out=std::cout)
1355  show(ProteinRecordData self)
1356  """
1357  return _IMP_multifit.ProteinRecordData_show(self, *args)
1358 
1359  name_ = _swig_property(_IMP_multifit.ProteinRecordData_name__get, _IMP_multifit.ProteinRecordData_name__set)
1360  start_res_ = _swig_property(_IMP_multifit.ProteinRecordData_start_res__get, _IMP_multifit.ProteinRecordData_start_res__set)
1361  end_res_ = _swig_property(_IMP_multifit.ProteinRecordData_end_res__get, _IMP_multifit.ProteinRecordData_end_res__set)
1362  filename_ = _swig_property(_IMP_multifit.ProteinRecordData_filename__get, _IMP_multifit.ProteinRecordData_filename__set)
1363  surface_filename_ = _swig_property(_IMP_multifit.ProteinRecordData_surface_filename__get, _IMP_multifit.ProteinRecordData_surface_filename__set)
1364  ref_filename_ = _swig_property(_IMP_multifit.ProteinRecordData_ref_filename__get, _IMP_multifit.ProteinRecordData_ref_filename__set)
1365  def __str__(self):
1366  """__str__(ProteinRecordData self) -> std::string"""
1367  return _IMP_multifit.ProteinRecordData___str__(self)
1368 
1369  def __repr__(self):
1370  """__repr__(ProteinRecordData self) -> std::string"""
1371  return _IMP_multifit.ProteinRecordData___repr__(self)
1372 
1373  __swig_destroy__ = _IMP_multifit.delete_ProteinRecordData
1374  __del__ = lambda self : None;
1375 ProteinRecordData_swigregister = _IMP_multifit.ProteinRecordData_swigregister
1376 ProteinRecordData_swigregister(ProteinRecordData)
1377 
1378 class ProteomicsData(IMP.base.Object):
1379  """Proxy of C++ IMP::multifit::ProteomicsData class"""
1380  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1381  def __init__(self):
1382  """__init__(IMP::multifit::ProteomicsData self) -> ProteomicsData"""
1383  this = _IMP_multifit.new_ProteomicsData()
1384  try: self.this.append(this)
1385  except: self.this = this
1386  def add_protein(self, *args):
1387  """
1388  add_protein(ProteomicsData self, std::string name, int start_res, int end_res, std::string const & mol_fn, std::string const & surface_fn,
1389  std::string const & ref_fn) -> int
1390  add_protein(ProteomicsData self, ProteinRecordData rec) -> int
1391  """
1392  return _IMP_multifit.ProteomicsData_add_protein(self, *args)
1393 
1394  def find(self, *args):
1395  """find(ProteomicsData self, std::string const & name) -> int"""
1396  return _IMP_multifit.ProteomicsData_find(self, *args)
1397 
1398  def add_interaction(self, *args):
1399  """add_interaction(ProteomicsData self, IMP::Ints const & ii, bool used_for_filter, float linker_len)"""
1400  return _IMP_multifit.ProteomicsData_add_interaction(self, *args)
1401 
1402  def add_cross_link_interaction(self, *args):
1403  """
1404  add_cross_link_interaction(ProteomicsData self, IMP::Int prot1, IMP::Int res1, IMP::Int prot2, IMP::Int res2, bool used_in_filter,
1405  IMP::Float linker_len)
1406  """
1407  return _IMP_multifit.ProteomicsData_add_cross_link_interaction(self, *args)
1408 
1409  def add_ev_pair(self, *args):
1410  """add_ev_pair(ProteomicsData self, IMP::Int prot1, IMP::Int prot2)"""
1411  return _IMP_multifit.ProteomicsData_add_ev_pair(self, *args)
1412 
1413  def get_number_of_proteins(self):
1414  """get_number_of_proteins(ProteomicsData self) -> int"""
1415  return _IMP_multifit.ProteomicsData_get_number_of_proteins(self)
1416 
1417  def get_number_of_interactions(self):
1418  """get_number_of_interactions(ProteomicsData self) -> int"""
1419  return _IMP_multifit.ProteomicsData_get_number_of_interactions(self)
1420 
1421  def get_interaction(self, *args):
1422  """get_interaction(ProteomicsData self, int interaction_ind) -> IMP::Ints"""
1423  return _IMP_multifit.ProteomicsData_get_interaction(self, *args)
1424 
1425  def get_interaction_part_of_filter(self, *args):
1426  """get_interaction_part_of_filter(ProteomicsData self, int interaction_ind) -> bool"""
1427  return _IMP_multifit.ProteomicsData_get_interaction_part_of_filter(self, *args)
1428 
1429  def get_interaction_linker_length(self, *args):
1430  """get_interaction_linker_length(ProteomicsData self, int interaction_ind) -> int"""
1431  return _IMP_multifit.ProteomicsData_get_interaction_linker_length(self, *args)
1432 
1433  def get_number_of_cross_links(self):
1434  """get_number_of_cross_links(ProteomicsData self) -> int"""
1435  return _IMP_multifit.ProteomicsData_get_number_of_cross_links(self)
1436 
1437  def get_cross_link(self, *args):
1438  """get_cross_link(ProteomicsData self, int xlink_ind) -> std::pair< IMP::IntPair,IMP::IntPair >"""
1439  return _IMP_multifit.ProteomicsData_get_cross_link(self, *args)
1440 
1441  def get_cross_link_part_of_filter(self, *args):
1442  """get_cross_link_part_of_filter(ProteomicsData self, int xlink_ind) -> bool"""
1443  return _IMP_multifit.ProteomicsData_get_cross_link_part_of_filter(self, *args)
1444 
1445  def get_cross_link_length(self, *args):
1446  """get_cross_link_length(ProteomicsData self, int xlink_ind) -> float"""
1447  return _IMP_multifit.ProteomicsData_get_cross_link_length(self, *args)
1448 
1449  def get_number_of_ev_pairs(self):
1450  """get_number_of_ev_pairs(ProteomicsData self) -> int"""
1451  return _IMP_multifit.ProteomicsData_get_number_of_ev_pairs(self)
1452 
1453  def get_ev_pair(self, *args):
1454  """get_ev_pair(ProteomicsData self, int ev_ind) -> IMP::IntPair"""
1455  return _IMP_multifit.ProteomicsData_get_ev_pair(self, *args)
1456 
1457  def get_protein_name(self, *args):
1458  """get_protein_name(ProteomicsData self, int protein_ind) -> std::string"""
1459  return _IMP_multifit.ProteomicsData_get_protein_name(self, *args)
1460 
1461  def get_end_res(self, *args):
1462  """get_end_res(ProteomicsData self, int protein_ind) -> int"""
1463  return _IMP_multifit.ProteomicsData_get_end_res(self, *args)
1464 
1465  def get_start_res(self, *args):
1466  """get_start_res(ProteomicsData self, int protein_ind) -> int"""
1467  return _IMP_multifit.ProteomicsData_get_start_res(self, *args)
1468 
1469  def get_protein_filename(self, *args):
1470  """get_protein_filename(ProteomicsData self, int protein_ind) -> std::string"""
1471  return _IMP_multifit.ProteomicsData_get_protein_filename(self, *args)
1472 
1473  def get_reference_filename(self, *args):
1474  """get_reference_filename(ProteomicsData self, int protein_ind) -> std::string"""
1475  return _IMP_multifit.ProteomicsData_get_reference_filename(self, *args)
1476 
1477  def get_surface_filename(self, *args):
1478  """get_surface_filename(ProteomicsData self, int protein_ind) -> std::string"""
1479  return _IMP_multifit.ProteomicsData_get_surface_filename(self, *args)
1480 
1481  def get_protein_data(self, *args):
1482  """get_protein_data(ProteomicsData self, int protein_ind) -> ProteinRecordData"""
1483  return _IMP_multifit.ProteomicsData_get_protein_data(self, *args)
1484 
1485  def get_version_info(self):
1486  """get_version_info(ProteomicsData self) -> VersionInfo"""
1487  return _IMP_multifit.ProteomicsData_get_version_info(self)
1488 
1489  def get_num_allowed_violated_interactions(self):
1490  """get_num_allowed_violated_interactions(ProteomicsData self) -> int"""
1491  return _IMP_multifit.ProteomicsData_get_num_allowed_violated_interactions(self)
1492 
1493  def set_num_allowed_violated_interactions(self, *args):
1494  """set_num_allowed_violated_interactions(ProteomicsData self, int n)"""
1495  return _IMP_multifit.ProteomicsData_set_num_allowed_violated_interactions(self, *args)
1496 
1497  def get_num_allowed_violated_cross_links(self):
1498  """get_num_allowed_violated_cross_links(ProteomicsData self) -> int"""
1499  return _IMP_multifit.ProteomicsData_get_num_allowed_violated_cross_links(self)
1500 
1501  def set_num_allowed_violated_cross_links(self, *args):
1502  """set_num_allowed_violated_cross_links(ProteomicsData self, int n)"""
1503  return _IMP_multifit.ProteomicsData_set_num_allowed_violated_cross_links(self, *args)
1504 
1505  def get_num_allowed_violated_ev(self):
1506  """get_num_allowed_violated_ev(ProteomicsData self) -> int"""
1507  return _IMP_multifit.ProteomicsData_get_num_allowed_violated_ev(self)
1508 
1509  def set_num_allowed_violated_ev(self, *args):
1510  """set_num_allowed_violated_ev(ProteomicsData self, int n)"""
1511  return _IMP_multifit.ProteomicsData_set_num_allowed_violated_ev(self, *args)
1512 
1513  def __str__(self):
1514  """__str__(ProteomicsData self) -> std::string"""
1515  return _IMP_multifit.ProteomicsData___str__(self)
1516 
1517  def __repr__(self):
1518  """__repr__(ProteomicsData self) -> std::string"""
1519  return _IMP_multifit.ProteomicsData___repr__(self)
1520 
1521  def get_from(o):
1522  return _object_cast_to_ProteomicsData(o)
1523  get_from = staticmethod(get_from)
1524 
1525 ProteomicsData_swigregister = _IMP_multifit.ProteomicsData_swigregister
1526 ProteomicsData_swigregister(ProteomicsData)
1527 
1528 
1529 def read_proteomics_data(*args):
1530  """read_proteomics_data(char const * proteomics_fn) -> ProteomicsData"""
1531  return _IMP_multifit.read_proteomics_data(*args)
1532 
1533 def get_partial_proteomics_data(*args):
1534  """get_partial_proteomics_data(ProteomicsData pd, IMP::Strings const & prot_names) -> ProteomicsData"""
1535  return _IMP_multifit.get_partial_proteomics_data(*args)
1536 class AnchorsData(object):
1537  """Proxy of C++ IMP::multifit::AnchorsData class"""
1538  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1539  def __init__(self, *args):
1540  """
1541  __init__(IMP::multifit::AnchorsData self) -> AnchorsData
1542  __init__(IMP::multifit::AnchorsData self, IMP::algebra::Vector3Ds points, IMP::IntPairs edges) -> AnchorsData
1543  """
1544  this = _IMP_multifit.new_AnchorsData(*args)
1545  try: self.this.append(this)
1546  except: self.this = this
1547  def remove_edges_for_node(self, *args):
1548  """remove_edges_for_node(AnchorsData self, int node_ind)"""
1549  return _IMP_multifit.AnchorsData_remove_edges_for_node(self, *args)
1550 
1551  def get_number_of_points(self):
1552  """get_number_of_points(AnchorsData self) -> int"""
1553  return _IMP_multifit.AnchorsData_get_number_of_points(self)
1554 
1555  def get_number_of_edges(self):
1556  """get_number_of_edges(AnchorsData self) -> int"""
1557  return _IMP_multifit.AnchorsData_get_number_of_edges(self)
1558 
1559  def get_is_point_considered(self, *args):
1560  """get_is_point_considered(AnchorsData self, int node_ind) -> bool"""
1561  return _IMP_multifit.AnchorsData_get_is_point_considered(self, *args)
1562 
1563  def show(self, *args):
1564  """
1565  show(AnchorsData self, _ostream out=std::cout)
1566  show(AnchorsData self)
1567  """
1568  return _IMP_multifit.AnchorsData_show(self, *args)
1569 
1570  def get_secondary_structure_is_set(self):
1571  """get_secondary_structure_is_set(AnchorsData self) -> bool"""
1572  return _IMP_multifit.AnchorsData_get_secondary_structure_is_set(self)
1573 
1574  def setup_secondary_structure(self, *args):
1575  """setup_secondary_structure(AnchorsData self, Model mdl)"""
1576  return _IMP_multifit.AnchorsData_setup_secondary_structure(self, *args)
1577 
1578  def set_secondary_structure_probabilities(self, *args):
1579  """
1580  set_secondary_structure_probabilities(AnchorsData self, IMP::kernel::Particles const & ssres_ps, IMP::Ints const & indices=IMP::Ints())
1581  set_secondary_structure_probabilities(AnchorsData self, IMP::kernel::Particles const & ssres_ps)
1582  """
1583  return _IMP_multifit.AnchorsData_set_secondary_structure_probabilities(self, *args)
1584 
1585  def get_secondary_structure_particles(self):
1586  """get_secondary_structure_particles(AnchorsData self) -> IMP::kernel::Particles"""
1587  return _IMP_multifit.AnchorsData_get_secondary_structure_particles(self)
1588 
1589  points_ = _swig_property(_IMP_multifit.AnchorsData_points__get, _IMP_multifit.AnchorsData_points__set)
1590  consider_point_ = _swig_property(_IMP_multifit.AnchorsData_consider_point__get, _IMP_multifit.AnchorsData_consider_point__set)
1591  edges_ = _swig_property(_IMP_multifit.AnchorsData_edges__get, _IMP_multifit.AnchorsData_edges__set)
1592  def __str__(self):
1593  """__str__(AnchorsData self) -> std::string"""
1594  return _IMP_multifit.AnchorsData___str__(self)
1595 
1596  def __repr__(self):
1597  """__repr__(AnchorsData self) -> std::string"""
1598  return _IMP_multifit.AnchorsData___repr__(self)
1599 
1600  __swig_destroy__ = _IMP_multifit.delete_AnchorsData
1601  __del__ = lambda self : None;
1602 AnchorsData_swigregister = _IMP_multifit.AnchorsData_swigregister
1603 AnchorsData_swigregister(AnchorsData)
1604 
1605 
1606 def read_anchors_data(*args):
1607  """read_anchors_data(char const * txt_filename) -> AnchorsData"""
1608  return _IMP_multifit.read_anchors_data(*args)
1609 
1610 def write_txt(*args):
1611  """write_txt(std::string const & txt_filename, AnchorsData ad)"""
1612  return _IMP_multifit.write_txt(*args)
1613 
1614 def write_cmm(*args):
1615  """write_cmm(std::string const & cmm_filename, std::string const & marker_set_name, AnchorsData dpa)"""
1616  return _IMP_multifit.write_cmm(*args)
1617 
1619  """
1620  create_coarse_molecule_from_molecule(Hierarchy mh, int num_beads, Model mdl, float bead_radius, bool add_conn_restraint=False) -> Hierarchy
1621  create_coarse_molecule_from_molecule(Hierarchy mh, int num_beads, Model mdl, float bead_radius) -> Hierarchy
1622  """
1623  return _IMP_multifit.create_coarse_molecule_from_molecule(*args)
1624 
1626  """
1627  create_coarse_molecules_from_molecules(IMP::atom::Hierarchies const & mhs, int frag_len, Model mdl, float bead_radius, bool add_conn_restraint=False) -> IMP::atom::Hierarchies
1628  create_coarse_molecules_from_molecules(IMP::atom::Hierarchies const & mhs, int frag_len, Model mdl, float bead_radius) -> IMP::atom::Hierarchies
1629  """
1630  return _IMP_multifit.create_coarse_molecules_from_molecules(*args)
1631 
1633  """create_coarse_molecule_from_density(DensityMap dmap, float dens_threshold, int num_beads, Model mdl, float bead_radius) -> Hierarchy"""
1634  return _IMP_multifit.create_coarse_molecule_from_density(*args)
1635 
1636 def create_hit_map(*args):
1637  """
1638  create_hit_map(RigidBody rb, Refiner rb_ref, IMP::multifit::FittingSolutionRecords const & sols,
1639  DensityMap damp) -> DensityMap
1640  """
1641  return _IMP_multifit.create_hit_map(*args)
1642 
1643 def get_points_close_to_molecule(*args):
1644  """get_points_close_to_molecule(Hierarchy mh, IMP::algebra::Vector3Ds const points, IMP::Float max_dist) -> IMP::algebra::Vector3Ds"""
1645  return _IMP_multifit.get_points_close_to_molecule(*args)
1646 
1647 def get_points_far_from_molecule(*args):
1648  """get_points_far_from_molecule(Hierarchy mh, IMP::algebra::Vector3Ds const points, IMP::Float max_dist) -> IMP::algebra::Vector3Ds"""
1649  return _IMP_multifit.get_points_far_from_molecule(*args)
1650 class RadiusOfGyrationRestraint(IMP.kernel.Restraint):
1651  """Proxy of C++ IMP::multifit::RadiusOfGyrationRestraint class"""
1652  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1653  def __init__(self, *args):
1654  """
1655  __init__(IMP::multifit::RadiusOfGyrationRestraint self, IMP::kernel::Particles ps, int num_residues, IMP::Float scale=1.) -> RadiusOfGyrationRestraint
1656  __init__(IMP::multifit::RadiusOfGyrationRestraint self, IMP::kernel::Particles ps, int num_residues) -> RadiusOfGyrationRestraint
1657  """
1658  this = _IMP_multifit.new_RadiusOfGyrationRestraint(*args)
1659  try: self.this.append(this)
1660  except: self.this = this
1661  def do_get_inputs(self):
1662  """do_get_inputs(RadiusOfGyrationRestraint self) -> IMP::kernel::ModelObjectsTemp"""
1663  return _IMP_multifit.RadiusOfGyrationRestraint_do_get_inputs(self)
1664 
1665  def get_version_info(self):
1666  """get_version_info(RadiusOfGyrationRestraint self) -> VersionInfo"""
1667  return _IMP_multifit.RadiusOfGyrationRestraint_get_version_info(self)
1668 
1669  def set_radius_of_gyration(self, *args):
1670  """set_radius_of_gyration(RadiusOfGyrationRestraint self, IMP::Float r)"""
1671  return _IMP_multifit.RadiusOfGyrationRestraint_set_radius_of_gyration(self, *args)
1672 
1673  def get_radius_of_gyration(self):
1674  """get_radius_of_gyration(RadiusOfGyrationRestraint self) -> IMP::Float"""
1675  return _IMP_multifit.RadiusOfGyrationRestraint_get_radius_of_gyration(self)
1676 
1677  def __str__(self):
1678  """__str__(RadiusOfGyrationRestraint self) -> std::string"""
1679  return _IMP_multifit.RadiusOfGyrationRestraint___str__(self)
1680 
1681  def __repr__(self):
1682  """__repr__(RadiusOfGyrationRestraint self) -> std::string"""
1683  return _IMP_multifit.RadiusOfGyrationRestraint___repr__(self)
1684 
1685  def get_from(o):
1686  return _object_cast_to_RadiusOfGyrationRestraint(o)
1687  get_from = staticmethod(get_from)
1688 
1689 RadiusOfGyrationRestraint_swigregister = _IMP_multifit.RadiusOfGyrationRestraint_swigregister
1690 RadiusOfGyrationRestraint_swigregister(RadiusOfGyrationRestraint)
1691 
1692 
1693 def get_approximated_radius_of_gyration(*args):
1694  """get_approximated_radius_of_gyration(int len) -> float"""
1695  return _IMP_multifit.get_approximated_radius_of_gyration(*args)
1696 
1697 def get_actual_radius_of_gyration(*args):
1698  """get_actual_radius_of_gyration(IMP::kernel::ParticlesTemp ps) -> float"""
1699  return _IMP_multifit.get_actual_radius_of_gyration(*args)
1700 
1701 def get_approximated_radius(*args):
1702  """get_approximated_radius(int len) -> float"""
1703  return _IMP_multifit.get_approximated_radius(*args)
1704 class ProteinsAnchorsSamplingSpace(object):
1705  """Proxy of C++ IMP::multifit::ProteinsAnchorsSamplingSpace class"""
1706  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1707  def __init__(self, prots=None):
1708  """
1709  __init__(IMP::multifit::ProteinsAnchorsSamplingSpace self, ProteomicsData prots=None) -> ProteinsAnchorsSamplingSpace
1710  __init__(IMP::multifit::ProteinsAnchorsSamplingSpace self) -> ProteinsAnchorsSamplingSpace
1711  """
1712  this = _IMP_multifit.new_ProteinsAnchorsSamplingSpace(prots)
1713  try: self.this.append(this)
1714  except: self.this = this
1715  def set_anchors(self, *args):
1716  """set_anchors(ProteinsAnchorsSamplingSpace self, AnchorsData data)"""
1717  return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_anchors(self, *args)
1718 
1719  def get_anchors(self):
1720  """get_anchors(ProteinsAnchorsSamplingSpace self) -> AnchorsData"""
1721  return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_anchors(self)
1722 
1723  def get_anchors_filename(self):
1724  """get_anchors_filename(ProteinsAnchorsSamplingSpace self) -> std::string"""
1725  return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_anchors_filename(self)
1726 
1727  def set_anchors_filename(self, *args):
1728  """set_anchors_filename(ProteinsAnchorsSamplingSpace self, std::string const & fn)"""
1729  return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_anchors_filename(self, *args)
1730 
1731  def get_proteomics_data(self):
1732  """get_proteomics_data(ProteinsAnchorsSamplingSpace self) -> ProteomicsData"""
1733  return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_proteomics_data(self)
1734 
1735  def add_protein(self, *args):
1736  """add_protein(ProteinsAnchorsSamplingSpace self, ProteinRecordData rec)"""
1737  return _IMP_multifit.ProteinsAnchorsSamplingSpace_add_protein(self, *args)
1738 
1739  def get_paths_for_protein(self, *args):
1740  """get_paths_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name) -> IMP::IntsList"""
1741  return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_paths_for_protein(self, *args)
1742 
1743  def set_paths_filename_for_protein(self, *args):
1744  """set_paths_filename_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name, std::string const & paths_filename)"""
1745  return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_paths_filename_for_protein(self, *args)
1746 
1747  def get_paths_filename_for_protein(self, *args):
1748  """get_paths_filename_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name) -> std::string"""
1749  return _IMP_multifit.ProteinsAnchorsSamplingSpace_get_paths_filename_for_protein(self, *args)
1750 
1751  def set_paths_for_protein(self, *args):
1752  """set_paths_for_protein(ProteinsAnchorsSamplingSpace self, std::string const & prot_name, IMP::IntsList paths)"""
1753  return _IMP_multifit.ProteinsAnchorsSamplingSpace_set_paths_for_protein(self, *args)
1754 
1755  def show(self, *args):
1756  """
1757  show(ProteinsAnchorsSamplingSpace self, _ostream s=std::cout)
1758  show(ProteinsAnchorsSamplingSpace self)
1759  """
1760  return _IMP_multifit.ProteinsAnchorsSamplingSpace_show(self, *args)
1761 
1762  def __str__(self):
1763  """__str__(ProteinsAnchorsSamplingSpace self) -> std::string"""
1764  return _IMP_multifit.ProteinsAnchorsSamplingSpace___str__(self)
1765 
1766  def __repr__(self):
1767  """__repr__(ProteinsAnchorsSamplingSpace self) -> std::string"""
1768  return _IMP_multifit.ProteinsAnchorsSamplingSpace___repr__(self)
1769 
1770  __swig_destroy__ = _IMP_multifit.delete_ProteinsAnchorsSamplingSpace
1771  __del__ = lambda self : None;
1772 ProteinsAnchorsSamplingSpace_swigregister = _IMP_multifit.ProteinsAnchorsSamplingSpace_swigregister
1773 ProteinsAnchorsSamplingSpace_swigregister(ProteinsAnchorsSamplingSpace)
1774 
1775 
1776 def read_protein_anchors_mapping(*args):
1777  """
1778  read_protein_anchors_mapping(ProteomicsData prots, std::string const & anchors_prot_map_fn, int max_paths=INT_MAX) -> ProteinsAnchorsSamplingSpace
1779  read_protein_anchors_mapping(ProteomicsData prots, std::string const & anchors_prot_map_fn) -> ProteinsAnchorsSamplingSpace
1780  """
1781  return _IMP_multifit.read_protein_anchors_mapping(*args)
1782 
1783 def write_protein_anchors_mapping(*args):
1784  """
1785  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)
1786  write_protein_anchors_mapping(std::string const & anchors_prot_map_fn, ProteinsAnchorsSamplingSpace pa, IMP::Strings const & prot_names)
1787  """
1788  return _IMP_multifit.write_protein_anchors_mapping(*args)
1789 
1790 def get_part_of_sampling_space(*args):
1791  """get_part_of_sampling_space(ProteinsAnchorsSamplingSpace prots_ss, IMP::Strings const & prot_names) -> ProteinsAnchorsSamplingSpace"""
1792  return _IMP_multifit.get_part_of_sampling_space(*args)
1793 
1795  """get_partial_assembly_setting_data(SettingsData prots_sd, IMP::Strings const & prot_names) -> SettingsData"""
1796  return _IMP_multifit.get_partial_assembly_setting_data(*args)
1797 
1798 def read_paths(*args):
1799  """
1800  read_paths(char const * txt_filename, int max_paths=INT_MAX) -> IMP::IntsList
1801  read_paths(char const * txt_filename) -> IMP::IntsList
1802  """
1803  return _IMP_multifit.read_paths(*args)
1804 
1805 def write_paths(*args):
1806  """write_paths(IMP::IntsList const & paths, std::string const & txt_filename)"""
1807  return _IMP_multifit.write_paths(*args)
1808 
1809 def molecule2anchors(*args):
1810  """molecule2anchors(Hierarchy mh, int k) -> AnchorsData"""
1811  return _IMP_multifit.molecule2anchors(*args)
1812 
1813 def get_anchors_for_density(*args):
1814  """
1815  get_anchors_for_density(DensityMap dmap, int number_of_means, float density_threshold, std::string pdb_filename,
1816  std::string cmm_filename, std::string seg_filename, std::string txt_filename)
1817  """
1818  return _IMP_multifit.get_anchors_for_density(*args)
1819 
1821  """
1822  get_anchor_indices_matching_secondary_structure(AnchorsData ad, IMP::atom::SecondaryStructureResidues const & ssrs, IMP::Float max_rmsd=0.7) -> IMP::IntsList
1823  get_anchor_indices_matching_secondary_structure(AnchorsData ad, IMP::atom::SecondaryStructureResidues const & ssrs) -> IMP::IntsList
1824  """
1825  return _IMP_multifit.get_anchor_indices_matching_secondary_structure(*args)
1826 class DominoParams(object):
1827  """Proxy of C++ IMP::multifit::DominoParams class"""
1828  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1829  def __init__(self):
1830  """__init__(IMP::multifit::DominoParams self) -> DominoParams"""
1831  this = _IMP_multifit.new_DominoParams()
1832  try: self.this.append(this)
1833  except: self.this = this
1834  def add(self, *args):
1835  """add(DominoParams self, boost::property_tree::ptree const & pt)"""
1836  return _IMP_multifit.DominoParams_add(self, *args)
1837 
1838  def show(self, *args):
1839  """
1840  show(DominoParams self, _ostream s=std::cout)
1841  show(DominoParams self)
1842  """
1843  return _IMP_multifit.DominoParams_show(self, *args)
1844 
1845  max_value_threshold_ = _swig_property(_IMP_multifit.DominoParams_max_value_threshold__get, _IMP_multifit.DominoParams_max_value_threshold__set)
1846  max_num_states_for_subset_ = _swig_property(_IMP_multifit.DominoParams_max_num_states_for_subset__get, _IMP_multifit.DominoParams_max_num_states_for_subset__set)
1847  max_anchor_penetration_ = _swig_property(_IMP_multifit.DominoParams_max_anchor_penetration__get, _IMP_multifit.DominoParams_max_anchor_penetration__set)
1848  heap_size_ = _swig_property(_IMP_multifit.DominoParams_heap_size__get, _IMP_multifit.DominoParams_heap_size__set)
1849  cache_size_ = _swig_property(_IMP_multifit.DominoParams_cache_size__get, _IMP_multifit.DominoParams_cache_size__set)
1850  def __str__(self):
1851  """__str__(DominoParams self) -> std::string"""
1852  return _IMP_multifit.DominoParams___str__(self)
1853 
1854  def __repr__(self):
1855  """__repr__(DominoParams self) -> std::string"""
1856  return _IMP_multifit.DominoParams___repr__(self)
1857 
1858  __swig_destroy__ = _IMP_multifit.delete_DominoParams
1859  __del__ = lambda self : None;
1860 DominoParams_swigregister = _IMP_multifit.DominoParams_swigregister
1861 DominoParams_swigregister(DominoParams)
1862 
1863 class XlinkParams(object):
1864  """Proxy of C++ IMP::multifit::XlinkParams class"""
1865  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1866  def __init__(self):
1867  """__init__(IMP::multifit::XlinkParams self) -> XlinkParams"""
1868  this = _IMP_multifit.new_XlinkParams()
1869  try: self.this.append(this)
1870  except: self.this = this
1871  def add(self, *args):
1872  """add(XlinkParams self, boost::property_tree::ptree const & pt)"""
1873  return _IMP_multifit.XlinkParams_add(self, *args)
1874 
1875  def show(self, *args):
1876  """
1877  show(XlinkParams self, _ostream s=std::cout)
1878  show(XlinkParams self)
1879  """
1880  return _IMP_multifit.XlinkParams_show(self, *args)
1881 
1882  upper_bound_ = _swig_property(_IMP_multifit.XlinkParams_upper_bound__get, _IMP_multifit.XlinkParams_upper_bound__set)
1883  k_ = _swig_property(_IMP_multifit.XlinkParams_k__get, _IMP_multifit.XlinkParams_k__set)
1884  max_xlink_val_ = _swig_property(_IMP_multifit.XlinkParams_max_xlink_val__get, _IMP_multifit.XlinkParams_max_xlink_val__set)
1885  treat_between_residues_ = _swig_property(_IMP_multifit.XlinkParams_treat_between_residues__get, _IMP_multifit.XlinkParams_treat_between_residues__set)
1886  def __str__(self):
1887  """__str__(XlinkParams self) -> std::string"""
1888  return _IMP_multifit.XlinkParams___str__(self)
1889 
1890  def __repr__(self):
1891  """__repr__(XlinkParams self) -> std::string"""
1892  return _IMP_multifit.XlinkParams___repr__(self)
1893 
1894  __swig_destroy__ = _IMP_multifit.delete_XlinkParams
1895  __del__ = lambda self : None;
1896 XlinkParams_swigregister = _IMP_multifit.XlinkParams_swigregister
1897 XlinkParams_swigregister(XlinkParams)
1898 
1899 class ConnectivityParams(object):
1900  """Proxy of C++ IMP::multifit::ConnectivityParams class"""
1901  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1902  def __init__(self):
1903  """__init__(IMP::multifit::ConnectivityParams self) -> ConnectivityParams"""
1904  this = _IMP_multifit.new_ConnectivityParams()
1905  try: self.this.append(this)
1906  except: self.this = this
1907  def add(self, *args):
1908  """add(ConnectivityParams self, boost::property_tree::ptree const & pt)"""
1909  return _IMP_multifit.ConnectivityParams_add(self, *args)
1910 
1911  def show(self, *args):
1912  """
1913  show(ConnectivityParams self, _ostream s=std::cout)
1914  show(ConnectivityParams self)
1915  """
1916  return _IMP_multifit.ConnectivityParams_show(self, *args)
1917 
1918  upper_bound_ = _swig_property(_IMP_multifit.ConnectivityParams_upper_bound__get, _IMP_multifit.ConnectivityParams_upper_bound__set)
1919  k_ = _swig_property(_IMP_multifit.ConnectivityParams_k__get, _IMP_multifit.ConnectivityParams_k__set)
1920  max_conn_rest_val_ = _swig_property(_IMP_multifit.ConnectivityParams_max_conn_rest_val__get, _IMP_multifit.ConnectivityParams_max_conn_rest_val__set)
1921  def __str__(self):
1922  """__str__(ConnectivityParams self) -> std::string"""
1923  return _IMP_multifit.ConnectivityParams___str__(self)
1924 
1925  def __repr__(self):
1926  """__repr__(ConnectivityParams self) -> std::string"""
1927  return _IMP_multifit.ConnectivityParams___repr__(self)
1928 
1929  __swig_destroy__ = _IMP_multifit.delete_ConnectivityParams
1930  __del__ = lambda self : None;
1931 ConnectivityParams_swigregister = _IMP_multifit.ConnectivityParams_swigregister
1932 ConnectivityParams_swigregister(ConnectivityParams)
1933 
1934 class FragmentsParams(object):
1935  """Proxy of C++ IMP::multifit::FragmentsParams class"""
1936  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1937  def __init__(self):
1938  """__init__(IMP::multifit::FragmentsParams self) -> FragmentsParams"""
1939  this = _IMP_multifit.new_FragmentsParams()
1940  try: self.this.append(this)
1941  except: self.this = this
1942  def add(self, *args):
1943  """add(FragmentsParams self, boost::property_tree::ptree const & pt)"""
1944  return _IMP_multifit.FragmentsParams_add(self, *args)
1945 
1946  def show(self, *args):
1947  """
1948  show(FragmentsParams self, _ostream s=std::cout)
1949  show(FragmentsParams self)
1950  """
1951  return _IMP_multifit.FragmentsParams_show(self, *args)
1952 
1953  frag_len_ = _swig_property(_IMP_multifit.FragmentsParams_frag_len__get, _IMP_multifit.FragmentsParams_frag_len__set)
1954  bead_radius_scale_ = _swig_property(_IMP_multifit.FragmentsParams_bead_radius_scale__get, _IMP_multifit.FragmentsParams_bead_radius_scale__set)
1955  load_atomic_ = _swig_property(_IMP_multifit.FragmentsParams_load_atomic__get, _IMP_multifit.FragmentsParams_load_atomic__set)
1956  subunit_rigid_ = _swig_property(_IMP_multifit.FragmentsParams_subunit_rigid__get, _IMP_multifit.FragmentsParams_subunit_rigid__set)
1957  def __str__(self):
1958  """__str__(FragmentsParams self) -> std::string"""
1959  return _IMP_multifit.FragmentsParams___str__(self)
1960 
1961  def __repr__(self):
1962  """__repr__(FragmentsParams self) -> std::string"""
1963  return _IMP_multifit.FragmentsParams___repr__(self)
1964 
1965  __swig_destroy__ = _IMP_multifit.delete_FragmentsParams
1966  __del__ = lambda self : None;
1967 FragmentsParams_swigregister = _IMP_multifit.FragmentsParams_swigregister
1968 FragmentsParams_swigregister(FragmentsParams)
1969 
1970 class RogParams(object):
1971  """Proxy of C++ IMP::multifit::RogParams class"""
1972  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1973  def __init__(self):
1974  """__init__(IMP::multifit::RogParams self) -> RogParams"""
1975  this = _IMP_multifit.new_RogParams()
1976  try: self.this.append(this)
1977  except: self.this = this
1978  def add(self, *args):
1979  """add(RogParams self, boost::property_tree::ptree const & pt)"""
1980  return _IMP_multifit.RogParams_add(self, *args)
1981 
1982  def get_max_score(self):
1983  """get_max_score(RogParams self) -> float"""
1984  return _IMP_multifit.RogParams_get_max_score(self)
1985 
1986  def get_scale(self):
1987  """get_scale(RogParams self) -> float"""
1988  return _IMP_multifit.RogParams_get_scale(self)
1989 
1990  def show(self, *args):
1991  """
1992  show(RogParams self, _ostream s=std::cout)
1993  show(RogParams self)
1994  """
1995  return _IMP_multifit.RogParams_show(self, *args)
1996 
1997  def __str__(self):
1998  """__str__(RogParams self) -> std::string"""
1999  return _IMP_multifit.RogParams___str__(self)
2000 
2001  def __repr__(self):
2002  """__repr__(RogParams self) -> std::string"""
2003  return _IMP_multifit.RogParams___repr__(self)
2004 
2005  __swig_destroy__ = _IMP_multifit.delete_RogParams
2006  __del__ = lambda self : None;
2007 RogParams_swigregister = _IMP_multifit.RogParams_swigregister
2008 RogParams_swigregister(RogParams)
2009 
2010 class EVParams(object):
2011  """Proxy of C++ IMP::multifit::EVParams class"""
2012  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2013  def __init__(self):
2014  """__init__(IMP::multifit::EVParams self) -> EVParams"""
2015  this = _IMP_multifit.new_EVParams()
2016  try: self.this.append(this)
2017  except: self.this = this
2018  def add(self, *args):
2019  """add(EVParams self, boost::property_tree::ptree const & pt)"""
2020  return _IMP_multifit.EVParams_add(self, *args)
2021 
2022  def show(self, *args):
2023  """
2024  show(EVParams self, _ostream s=std::cout)
2025  show(EVParams self)
2026  """
2027  return _IMP_multifit.EVParams_show(self, *args)
2028 
2029  pair_distance_ = _swig_property(_IMP_multifit.EVParams_pair_distance__get, _IMP_multifit.EVParams_pair_distance__set)
2030  pair_slack_ = _swig_property(_IMP_multifit.EVParams_pair_slack__get, _IMP_multifit.EVParams_pair_slack__set)
2031  hlb_mean_ = _swig_property(_IMP_multifit.EVParams_hlb_mean__get, _IMP_multifit.EVParams_hlb_mean__set)
2032  hlb_k_ = _swig_property(_IMP_multifit.EVParams_hlb_k__get, _IMP_multifit.EVParams_hlb_k__set)
2033  maximum_ev_score_for_pair_ = _swig_property(_IMP_multifit.EVParams_maximum_ev_score_for_pair__get, _IMP_multifit.EVParams_maximum_ev_score_for_pair__set)
2034  allowed_percentage_of_bad_pairs_ = _swig_property(_IMP_multifit.EVParams_allowed_percentage_of_bad_pairs__get, _IMP_multifit.EVParams_allowed_percentage_of_bad_pairs__set)
2035  scoring_mode_ = _swig_property(_IMP_multifit.EVParams_scoring_mode__get, _IMP_multifit.EVParams_scoring_mode__set)
2036  def __str__(self):
2037  """__str__(EVParams self) -> std::string"""
2038  return _IMP_multifit.EVParams___str__(self)
2039 
2040  def __repr__(self):
2041  """__repr__(EVParams self) -> std::string"""
2042  return _IMP_multifit.EVParams___repr__(self)
2043 
2044  __swig_destroy__ = _IMP_multifit.delete_EVParams
2045  __del__ = lambda self : None;
2046 EVParams_swigregister = _IMP_multifit.EVParams_swigregister
2047 EVParams_swigregister(EVParams)
2048 
2049 class FiltersParams(object):
2050  """Proxy of C++ IMP::multifit::FiltersParams class"""
2051  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2052  def __init__(self):
2053  """__init__(IMP::multifit::FiltersParams self) -> FiltersParams"""
2054  this = _IMP_multifit.new_FiltersParams()
2055  try: self.this.append(this)
2056  except: self.this = this
2057  def add(self, *args):
2058  """add(FiltersParams self, boost::property_tree::ptree const & pt)"""
2059  return _IMP_multifit.FiltersParams_add(self, *args)
2060 
2061  def show(self, *args):
2062  """
2063  show(FiltersParams self, _ostream s=std::cout)
2064  show(FiltersParams self)
2065  """
2066  return _IMP_multifit.FiltersParams_show(self, *args)
2067 
2068  max_num_violated_xlink_ = _swig_property(_IMP_multifit.FiltersParams_max_num_violated_xlink__get, _IMP_multifit.FiltersParams_max_num_violated_xlink__set)
2069  max_num_violated_conn_ = _swig_property(_IMP_multifit.FiltersParams_max_num_violated_conn__get, _IMP_multifit.FiltersParams_max_num_violated_conn__set)
2070  max_num_violated_ev_ = _swig_property(_IMP_multifit.FiltersParams_max_num_violated_ev__get, _IMP_multifit.FiltersParams_max_num_violated_ev__set)
2071  def __str__(self):
2072  """__str__(FiltersParams self) -> std::string"""
2073  return _IMP_multifit.FiltersParams___str__(self)
2074 
2075  def __repr__(self):
2076  """__repr__(FiltersParams self) -> std::string"""
2077  return _IMP_multifit.FiltersParams___repr__(self)
2078 
2079  __swig_destroy__ = _IMP_multifit.delete_FiltersParams
2080  __del__ = lambda self : None;
2081 FiltersParams_swigregister = _IMP_multifit.FiltersParams_swigregister
2082 FiltersParams_swigregister(FiltersParams)
2083 
2084 class FittingParams(object):
2085  """Proxy of C++ IMP::multifit::FittingParams class"""
2086  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2087  def __init__(self):
2088  """__init__(IMP::multifit::FittingParams self) -> FittingParams"""
2089  this = _IMP_multifit.new_FittingParams()
2090  try: self.this.append(this)
2091  except: self.this = this
2092  def add(self, *args):
2093  """add(FittingParams self, boost::property_tree::ptree const & pt)"""
2094  return _IMP_multifit.FittingParams_add(self, *args)
2095 
2096  def show(self, *args):
2097  """
2098  show(FittingParams self, _ostream s=std::cout)
2099  show(FittingParams self)
2100  """
2101  return _IMP_multifit.FittingParams_show(self, *args)
2102 
2103  pca_max_angle_diff_ = _swig_property(_IMP_multifit.FittingParams_pca_max_angle_diff__get, _IMP_multifit.FittingParams_pca_max_angle_diff__set)
2104  pca_max_size_diff_ = _swig_property(_IMP_multifit.FittingParams_pca_max_size_diff__get, _IMP_multifit.FittingParams_pca_max_size_diff__set)
2105  pca_max_cent_dist_diff_ = _swig_property(_IMP_multifit.FittingParams_pca_max_cent_dist_diff__get, _IMP_multifit.FittingParams_pca_max_cent_dist_diff__set)
2106  max_asmb_fit_score_ = _swig_property(_IMP_multifit.FittingParams_max_asmb_fit_score__get, _IMP_multifit.FittingParams_max_asmb_fit_score__set)
2107  def __str__(self):
2108  """__str__(FittingParams self) -> std::string"""
2109  return _IMP_multifit.FittingParams___str__(self)
2110 
2111  def __repr__(self):
2112  """__repr__(FittingParams self) -> std::string"""
2113  return _IMP_multifit.FittingParams___repr__(self)
2114 
2115  __swig_destroy__ = _IMP_multifit.delete_FittingParams
2116  __del__ = lambda self : None;
2117 FittingParams_swigregister = _IMP_multifit.FittingParams_swigregister
2118 FittingParams_swigregister(FittingParams)
2119 
2120 class ComplementarityParams(object):
2121  """Proxy of C++ IMP::multifit::ComplementarityParams class"""
2122  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2123  def __init__(self):
2124  """__init__(IMP::multifit::ComplementarityParams self) -> ComplementarityParams"""
2125  this = _IMP_multifit.new_ComplementarityParams()
2126  try: self.this.append(this)
2127  except: self.this = this
2128  def add(self, *args):
2129  """add(ComplementarityParams self, boost::property_tree::ptree const & pt)"""
2130  return _IMP_multifit.ComplementarityParams_add(self, *args)
2131 
2132  def show(self, *args):
2133  """
2134  show(ComplementarityParams self, _ostream s=std::cout)
2135  show(ComplementarityParams self)
2136  """
2137  return _IMP_multifit.ComplementarityParams_show(self, *args)
2138 
2139  max_score_ = _swig_property(_IMP_multifit.ComplementarityParams_max_score__get, _IMP_multifit.ComplementarityParams_max_score__set)
2140  max_penetration_ = _swig_property(_IMP_multifit.ComplementarityParams_max_penetration__get, _IMP_multifit.ComplementarityParams_max_penetration__set)
2141  interior_layer_thickness_ = _swig_property(_IMP_multifit.ComplementarityParams_interior_layer_thickness__get, _IMP_multifit.ComplementarityParams_interior_layer_thickness__set)
2142  boundary_coef_ = _swig_property(_IMP_multifit.ComplementarityParams_boundary_coef__get, _IMP_multifit.ComplementarityParams_boundary_coef__set)
2143  comp_coef_ = _swig_property(_IMP_multifit.ComplementarityParams_comp_coef__get, _IMP_multifit.ComplementarityParams_comp_coef__set)
2144  penetration_coef_ = _swig_property(_IMP_multifit.ComplementarityParams_penetration_coef__get, _IMP_multifit.ComplementarityParams_penetration_coef__set)
2145  def __str__(self):
2146  """__str__(ComplementarityParams self) -> std::string"""
2147  return _IMP_multifit.ComplementarityParams___str__(self)
2148 
2149  def __repr__(self):
2150  """__repr__(ComplementarityParams self) -> std::string"""
2151  return _IMP_multifit.ComplementarityParams___repr__(self)
2152 
2153  __swig_destroy__ = _IMP_multifit.delete_ComplementarityParams
2154  __del__ = lambda self : None;
2155 ComplementarityParams_swigregister = _IMP_multifit.ComplementarityParams_swigregister
2156 ComplementarityParams_swigregister(ComplementarityParams)
2157 
2158 class AlignmentParams(object):
2159  """Proxy of C++ IMP::multifit::AlignmentParams class"""
2160  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2161  def __init__(self, *args):
2162  """__init__(IMP::multifit::AlignmentParams self, char const * param_filename) -> AlignmentParams"""
2163  this = _IMP_multifit.new_AlignmentParams(*args)
2164  try: self.this.append(this)
2165  except: self.this = this
2166  def get_domino_params(self):
2167  """get_domino_params(AlignmentParams self) -> DominoParams"""
2168  return _IMP_multifit.AlignmentParams_get_domino_params(self)
2169 
2170  def get_fitting_params(self):
2171  """get_fitting_params(AlignmentParams self) -> FittingParams"""
2172  return _IMP_multifit.AlignmentParams_get_fitting_params(self)
2173 
2174  def get_complementarity_params(self):
2175  """get_complementarity_params(AlignmentParams self) -> ComplementarityParams"""
2176  return _IMP_multifit.AlignmentParams_get_complementarity_params(self)
2177 
2178  def get_xlink_params(self):
2179  """get_xlink_params(AlignmentParams self) -> XlinkParams"""
2180  return _IMP_multifit.AlignmentParams_get_xlink_params(self)
2181 
2182  def get_connectivity_params(self):
2183  """get_connectivity_params(AlignmentParams self) -> ConnectivityParams"""
2184  return _IMP_multifit.AlignmentParams_get_connectivity_params(self)
2185 
2186  def get_rog_params(self):
2187  """get_rog_params(AlignmentParams self) -> RogParams"""
2188  return _IMP_multifit.AlignmentParams_get_rog_params(self)
2189 
2190  def get_fragments_params(self):
2191  """get_fragments_params(AlignmentParams self) -> FragmentsParams"""
2192  return _IMP_multifit.AlignmentParams_get_fragments_params(self)
2193 
2194  def get_filters_params(self):
2195  """get_filters_params(AlignmentParams self) -> FiltersParams"""
2196  return _IMP_multifit.AlignmentParams_get_filters_params(self)
2197 
2198  def get_ev_params(self):
2199  """get_ev_params(AlignmentParams self) -> EVParams"""
2200  return _IMP_multifit.AlignmentParams_get_ev_params(self)
2201 
2202  def show(self, *args):
2203  """
2204  show(AlignmentParams self, _ostream s=std::cout)
2205  show(AlignmentParams self)
2206  """
2207  return _IMP_multifit.AlignmentParams_show(self, *args)
2208 
2209  def __str__(self):
2210  """__str__(AlignmentParams self) -> std::string"""
2211  return _IMP_multifit.AlignmentParams___str__(self)
2212 
2213  def __repr__(self):
2214  """__repr__(AlignmentParams self) -> std::string"""
2215  return _IMP_multifit.AlignmentParams___repr__(self)
2216 
2217  __swig_destroy__ = _IMP_multifit.delete_AlignmentParams
2218  __del__ = lambda self : None;
2219 AlignmentParams_swigregister = _IMP_multifit.AlignmentParams_swigregister
2220 AlignmentParams_swigregister(AlignmentParams)
2221 
2222 class ProteomicsEMAlignmentAtomic(IMP.base.Object):
2223  """Proxy of C++ IMP::multifit::ProteomicsEMAlignmentAtomic class"""
2224  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2225  def __init__(self, *args):
2226  """__init__(IMP::multifit::ProteomicsEMAlignmentAtomic self, ProteinsAnchorsSamplingSpace mapping_data, SettingsData asmb_data, AlignmentParams align_param) -> ProteomicsEMAlignmentAtomic"""
2227  this = _IMP_multifit.new_ProteomicsEMAlignmentAtomic(*args)
2228  try: self.this.append(this)
2229  except: self.this = this
2230  def align(self):
2231  """align(ProteomicsEMAlignmentAtomic self)"""
2232  return _IMP_multifit.ProteomicsEMAlignmentAtomic_align(self)
2233 
2234  def add_all_restraints(self):
2235  """add_all_restraints(ProteomicsEMAlignmentAtomic self)"""
2236  return _IMP_multifit.ProteomicsEMAlignmentAtomic_add_all_restraints(self)
2237 
2238  def add_states_and_filters(self):
2239  """add_states_and_filters(ProteomicsEMAlignmentAtomic self)"""
2240  return _IMP_multifit.ProteomicsEMAlignmentAtomic_add_states_and_filters(self)
2241 
2242  def show_domino_merge_tree(self):
2243  """show_domino_merge_tree(ProteomicsEMAlignmentAtomic self)"""
2244  return _IMP_multifit.ProteomicsEMAlignmentAtomic_show_domino_merge_tree(self)
2245 
2246  def get_combinations(self, uniques=False):
2247  """
2248  get_combinations(ProteomicsEMAlignmentAtomic self, bool uniques=False) -> IMP::domino::Assignments
2249  get_combinations(ProteomicsEMAlignmentAtomic self) -> IMP::domino::Assignments
2250  """
2251  return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_combinations(self, uniques)
2252 
2253  def set_density_map(self, *args):
2254  """set_density_map(ProteomicsEMAlignmentAtomic self, DensityMap dmap, float threshold)"""
2255  return _IMP_multifit.ProteomicsEMAlignmentAtomic_set_density_map(self, *args)
2256 
2257  def get_molecules(self):
2258  """get_molecules(ProteomicsEMAlignmentAtomic self) -> IMP::atom::Hierarchies"""
2259  return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_molecules(self)
2260 
2261  def get_rigid_bodies(self):
2262  """get_rigid_bodies(ProteomicsEMAlignmentAtomic self) -> IMP::core::RigidBodies"""
2263  return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_rigid_bodies(self)
2264 
2265  def load_combination_of_states(self, *args):
2266  """load_combination_of_states(ProteomicsEMAlignmentAtomic self, IMP::Ints const & state4particles)"""
2267  return _IMP_multifit.ProteomicsEMAlignmentAtomic_load_combination_of_states(self, *args)
2268 
2269  def show_scores_header(self, *args):
2270  """
2271  show_scores_header(ProteomicsEMAlignmentAtomic self, _ostream ous=std::cout)
2272  show_scores_header(ProteomicsEMAlignmentAtomic self)
2273  """
2274  return _IMP_multifit.ProteomicsEMAlignmentAtomic_show_scores_header(self, *args)
2275 
2276  def get_model(self):
2277  """get_model(ProteomicsEMAlignmentAtomic self) -> Model"""
2278  return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_model(self)
2279 
2280  def set_fast_scoring(self, *args):
2281  """set_fast_scoring(ProteomicsEMAlignmentAtomic self, bool state)"""
2282  return _IMP_multifit.ProteomicsEMAlignmentAtomic_set_fast_scoring(self, *args)
2283 
2284  def get_version_info(self):
2285  """get_version_info(ProteomicsEMAlignmentAtomic self) -> VersionInfo"""
2286  return _IMP_multifit.ProteomicsEMAlignmentAtomic_get_version_info(self)
2287 
2288  def __str__(self):
2289  """__str__(ProteomicsEMAlignmentAtomic self) -> std::string"""
2290  return _IMP_multifit.ProteomicsEMAlignmentAtomic___str__(self)
2291 
2292  def __repr__(self):
2293  """__repr__(ProteomicsEMAlignmentAtomic self) -> std::string"""
2294  return _IMP_multifit.ProteomicsEMAlignmentAtomic___repr__(self)
2295 
2296  def get_from(o):
2297  return _object_cast_to_ProteomicsEMAlignmentAtomic(o)
2298  get_from = staticmethod(get_from)
2299 
2300 ProteomicsEMAlignmentAtomic_swigregister = _IMP_multifit.ProteomicsEMAlignmentAtomic_swigregister
2301 ProteomicsEMAlignmentAtomic_swigregister(ProteomicsEMAlignmentAtomic)
2302 
2303 
2304 def write_connolly_surface(*args):
2305  """write_connolly_surface(IMP::atom::Atoms atoms, TextOutput fn, float density, float probe_radius)"""
2306  return _IMP_multifit.write_connolly_surface(*args)
2307 class Ensemble(IMP.base.Object):
2308  """Proxy of C++ IMP::multifit::Ensemble class"""
2309  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2310  def load_combination(self, *args):
2311  """load_combination(Ensemble self, IMP::Ints fit_comb)"""
2312  return _IMP_multifit.Ensemble_load_combination(self, *args)
2313 
2314  def unload_combination(self, *args):
2315  """unload_combination(Ensemble self, IMP::Ints fit_comb)"""
2316  return _IMP_multifit.Ensemble_unload_combination(self, *args)
2317 
2318  def add_component_and_fits(self, *args):
2319  """add_component_and_fits(Ensemble self, Hierarchy mh, IMP::multifit::FittingSolutionRecords const & fits)"""
2320  return _IMP_multifit.Ensemble_add_component_and_fits(self, *args)
2321 
2322  def get_molecules(self):
2323  """get_molecules(Ensemble self) -> IMP::atom::Hierarchies"""
2324  return _IMP_multifit.Ensemble_get_molecules(self)
2325 
2326  def get_rigid_bodies(self):
2327  """get_rigid_bodies(Ensemble self) -> IMP::core::RigidBodies"""
2328  return _IMP_multifit.Ensemble_get_rigid_bodies(self)
2329 
2330  def get_rmsd(self, *args):
2331  """get_rmsd(Ensemble self, IMP::core::XYZs const & second_xyz) -> float"""
2332  return _IMP_multifit.Ensemble_get_rmsd(self, *args)
2333 
2334  def __init__(self, *args):
2335  """__init__(IMP::multifit::Ensemble self, SettingsData sd, ProteinsAnchorsSamplingSpace mapping_data) -> Ensemble"""
2336  this = _IMP_multifit.new_Ensemble(*args)
2337  try: self.this.append(this)
2338  except: self.this = this
2339  def score_by_restraints(self, *args):
2340  """score_by_restraints(Ensemble self, IMP::kernel::Restraints rs, IMP::IntsList const & combinations) -> std::vector< IMP::Floats,std::allocator< IMP::Floats > >"""
2341  return _IMP_multifit.Ensemble_score_by_restraints(self, *args)
2342 
2343  def get_version_info(self):
2344  """get_version_info(Ensemble self) -> VersionInfo"""
2345  return _IMP_multifit.Ensemble_get_version_info(self)
2346 
2347  def __str__(self):
2348  """__str__(Ensemble self) -> std::string"""
2349  return _IMP_multifit.Ensemble___str__(self)
2350 
2351  def __repr__(self):
2352  """__repr__(Ensemble self) -> std::string"""
2353  return _IMP_multifit.Ensemble___repr__(self)
2354 
2355  def get_from(o):
2356  return _object_cast_to_Ensemble(o)
2357  get_from = staticmethod(get_from)
2358 
2359 Ensemble_swigregister = _IMP_multifit.Ensemble_swigregister
2360 Ensemble_swigregister(Ensemble)
2361 
2362 
2363 def load_ensemble(*args):
2364  """load_ensemble(SettingsData sd, Model mdl, ProteinsAnchorsSamplingSpace mapping_data) -> Ensemble"""
2365  return _IMP_multifit.load_ensemble(*args)
2366 _all_commands = ["param", "anchors", "fit_fft", "cluster", "add_fit_rmsd",
2367  "indexes", "proteomics", "align", "models", "transforms",
2368  "score", "merge_tree", "reference", "refine_fft", "segment"]
2369 
2370 
2371 def get_module_version():
2372  """get_module_version() -> std::string const"""
2373  return _IMP_multifit.get_module_version()
2374 
2375 def get_example_path(*args):
2376  """get_example_path(std::string fname) -> std::string"""
2377  return _IMP_multifit.get_example_path(*args)
2378 
2379 def get_data_path(*args):
2380  """get_data_path(std::string fname) -> std::string"""
2381  return _IMP_multifit.get_data_path(*args)
2382 from . import _version_check
2383 _version_check.check_version(get_module_version())
2384 
2385 
2386 
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.
Ints get_index(const kernel::ParticlesTemp &particles, const Subset &subset, const Subsets &excluded)
std::string get_example_path(std::string file_name)
Return the path to installed example data for this module.
atom::Hierarchy create_coarse_molecule_from_density(em::DensityMap *dmap, float dens_threshold, int num_beads, kernel::Model *mdl, float bead_radius)
Coarsen a density map based on voxels clustering.
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.
double get_resolution(kernel::Model *m, kernel::ParticleIndex pi)
ProteinsAnchorsSamplingSpace get_part_of_sampling_space(const ProteinsAnchorsSamplingSpace &prots_ss, const Strings &prot_names)
Get the sampling space of few of the proteins.
Low level functionality (logging, error handling, profiling, command line flags etc) that is used by ...
std::string get_data_path(std::string file_name)
Return the full path to installed data.
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.
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.
void write_connolly_surface(atom::Atoms atoms, base::TextOutput fn, float density, float probe_radius)
Write the Connolly surface for a set of atoms to a file.
Base functionality and abstract base classes for representation, scoring and sampling.
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)
A restraint is a term in an IMP ScoringFunction.
double get_radius_of_gyration(const Vector3Ds &ps)
Return the radius of gyration of a set of points.
Definition: Vector3D.h:65
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.
Common base class for heavy weight IMP objects.
Definition: Object.h:106
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.
atom::Hierarchy create_coarse_molecule_from_molecule(const atom::Hierarchy &mh, int num_beads, kernel::Model *mdl, float bead_radius, bool add_conn_restraint=false)
Coarsen a molecule based on atom clustering.
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...
FittingSolutionRecords get_close_to_point(const FittingSolutionRecords &fit_sols, atom::Hierarchy mh, IMP::kernel::Particle *ap, Float dist)
prune solutions by distance to an anchor point
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.
void show(Hierarchy h, std::ostream &out=std::cout)
Print out a molecular hierarchy.
atom::Hierarchies create_coarse_molecules_from_molecules(const atom::Hierarchies &mhs, int frag_len, kernel::Model *mdl, float bead_radius, bool add_conn_restraint=false)
Coarsen molecules based on atom clustering.
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.