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IMP Reference Guide  2.20.2
The Integrative Modeling Platform
integrative_docking/__init__.py
1 # This file was automatically generated by SWIG (https://www.swig.org).
2 # Version 4.2.1
3 #
4 # Do not make changes to this file unless you know what you are doing - modify
5 # the SWIG interface file instead.
6 
7 
8 # This wrapper is part of IMP,
9 # Copyright 2007-2024 IMP Inventors. All rights reserved.
10 
11 from __future__ import print_function, division, absolute_import
12 
13 
14 
15 from sys import version_info as _swig_python_version_info
16 import _IMP_integrative_docking
17 
18 try:
19  import builtins as __builtin__
20 except ImportError:
21  import __builtin__
22 
23 def _swig_repr(self):
24  try:
25  strthis = "proxy of " + self.this.__repr__()
26  except __builtin__.Exception:
27  strthis = ""
28  return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
29 
30 
31 def _swig_setattr_nondynamic_instance_variable(set):
32  def set_instance_attr(self, name, value):
33  if name == "this":
34  set(self, name, value)
35  elif name == "thisown":
36  self.this.own(value)
37  elif hasattr(self, name) and isinstance(getattr(type(self), name), property):
38  set(self, name, value)
39  else:
40  raise AttributeError("You cannot add instance attributes to %s" % self)
41  return set_instance_attr
42 
43 
44 def _swig_setattr_nondynamic_class_variable(set):
45  def set_class_attr(cls, name, value):
46  if hasattr(cls, name) and not isinstance(getattr(cls, name), property):
47  set(cls, name, value)
48  else:
49  raise AttributeError("You cannot add class attributes to %s" % cls)
50  return set_class_attr
51 
52 
53 def _swig_add_metaclass(metaclass):
54  """Class decorator for adding a metaclass to a SWIG wrapped class - a slimmed down version of six.add_metaclass"""
55  def wrapper(cls):
56  return metaclass(cls.__name__, cls.__bases__, cls.__dict__.copy())
57  return wrapper
58 
59 
60 class _SwigNonDynamicMeta(type):
61  """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
62  __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
63 
64 
65 import weakref
66 
67 class IMP_INTEGRATIVE_DOCKING_SwigPyIterator(object):
68  r"""Proxy of C++ swig::IMP_INTEGRATIVE_DOCKING_SwigPyIterator class."""
69 
70  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
71 
72  def __init__(self, *args, **kwargs):
73  raise AttributeError("No constructor defined - class is abstract")
74  __repr__ = _swig_repr
75  __swig_destroy__ = _IMP_integrative_docking.delete_IMP_INTEGRATIVE_DOCKING_SwigPyIterator
76 
77  def value(self):
78  r"""value(IMP_INTEGRATIVE_DOCKING_SwigPyIterator self) -> PyObject *"""
79  return _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_SwigPyIterator_value(self)
80 
81  def incr(self, n=1):
82  r"""incr(IMP_INTEGRATIVE_DOCKING_SwigPyIterator self, size_t n=1) -> IMP_INTEGRATIVE_DOCKING_SwigPyIterator"""
83  return _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_SwigPyIterator_incr(self, n)
84 
85  def decr(self, n=1):
86  r"""decr(IMP_INTEGRATIVE_DOCKING_SwigPyIterator self, size_t n=1) -> IMP_INTEGRATIVE_DOCKING_SwigPyIterator"""
87  return _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_SwigPyIterator_decr(self, n)
88 
89  def distance(self, x):
90  r"""distance(IMP_INTEGRATIVE_DOCKING_SwigPyIterator self, IMP_INTEGRATIVE_DOCKING_SwigPyIterator x) -> ptrdiff_t"""
91  return _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_SwigPyIterator_distance(self, x)
92 
93  def equal(self, x):
94  r"""equal(IMP_INTEGRATIVE_DOCKING_SwigPyIterator self, IMP_INTEGRATIVE_DOCKING_SwigPyIterator x) -> bool"""
95  return _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_SwigPyIterator_equal(self, x)
96 
97  def copy(self):
98  r"""copy(IMP_INTEGRATIVE_DOCKING_SwigPyIterator self) -> IMP_INTEGRATIVE_DOCKING_SwigPyIterator"""
99  return _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_SwigPyIterator_copy(self)
100 
101  def next(self):
102  r"""next(IMP_INTEGRATIVE_DOCKING_SwigPyIterator self) -> PyObject *"""
103  return _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_SwigPyIterator_next(self)
104 
105  def __next__(self):
106  r"""__next__(IMP_INTEGRATIVE_DOCKING_SwigPyIterator self) -> PyObject *"""
107  return _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_SwigPyIterator___next__(self)
108 
109  def previous(self):
110  r"""previous(IMP_INTEGRATIVE_DOCKING_SwigPyIterator self) -> PyObject *"""
111  return _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_SwigPyIterator_previous(self)
112 
113  def advance(self, n):
114  r"""advance(IMP_INTEGRATIVE_DOCKING_SwigPyIterator self, ptrdiff_t n) -> IMP_INTEGRATIVE_DOCKING_SwigPyIterator"""
115  return _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_SwigPyIterator_advance(self, n)
116 
117  def __eq__(self, x):
118  r"""__eq__(IMP_INTEGRATIVE_DOCKING_SwigPyIterator self, IMP_INTEGRATIVE_DOCKING_SwigPyIterator x) -> bool"""
119  return _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_SwigPyIterator___eq__(self, x)
120 
121  def __ne__(self, x):
122  r"""__ne__(IMP_INTEGRATIVE_DOCKING_SwigPyIterator self, IMP_INTEGRATIVE_DOCKING_SwigPyIterator x) -> bool"""
123  return _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_SwigPyIterator___ne__(self, x)
124 
125  def __iadd__(self, n):
126  r"""__iadd__(IMP_INTEGRATIVE_DOCKING_SwigPyIterator self, ptrdiff_t n) -> IMP_INTEGRATIVE_DOCKING_SwigPyIterator"""
127  return _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_SwigPyIterator___iadd__(self, n)
128 
129  def __isub__(self, n):
130  r"""__isub__(IMP_INTEGRATIVE_DOCKING_SwigPyIterator self, ptrdiff_t n) -> IMP_INTEGRATIVE_DOCKING_SwigPyIterator"""
131  return _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_SwigPyIterator___isub__(self, n)
132 
133  def __add__(self, n):
134  r"""__add__(IMP_INTEGRATIVE_DOCKING_SwigPyIterator self, ptrdiff_t n) -> IMP_INTEGRATIVE_DOCKING_SwigPyIterator"""
135  return _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_SwigPyIterator___add__(self, n)
136 
137  def __sub__(self, *args):
138  r"""
139  __sub__(IMP_INTEGRATIVE_DOCKING_SwigPyIterator self, ptrdiff_t n) -> IMP_INTEGRATIVE_DOCKING_SwigPyIterator
140  __sub__(IMP_INTEGRATIVE_DOCKING_SwigPyIterator self, IMP_INTEGRATIVE_DOCKING_SwigPyIterator x) -> ptrdiff_t
141  """
142  return _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_SwigPyIterator___sub__(self, *args)
143  def __iter__(self):
144  return self
145 
146 # Register IMP_INTEGRATIVE_DOCKING_SwigPyIterator in _IMP_integrative_docking:
147 _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_SwigPyIterator_swigregister(IMP_INTEGRATIVE_DOCKING_SwigPyIterator)
148 
149 _value_types=[]
150 _object_types=[]
151 _raii_types=[]
152 _plural_types=[]
153 
154 IMP_DEBUG = _IMP_integrative_docking.IMP_DEBUG
155 
156 IMP_RELEASE = _IMP_integrative_docking.IMP_RELEASE
157 
158 IMP_SILENT = _IMP_integrative_docking.IMP_SILENT
159 
160 IMP_PROGRESS = _IMP_integrative_docking.IMP_PROGRESS
161 
162 IMP_TERSE = _IMP_integrative_docking.IMP_TERSE
163 
164 IMP_VERBOSE = _IMP_integrative_docking.IMP_VERBOSE
165 
166 IMP_MEMORY = _IMP_integrative_docking.IMP_MEMORY
167 
168 IMP_NONE = _IMP_integrative_docking.IMP_NONE
169 
170 IMP_USAGE = _IMP_integrative_docking.IMP_USAGE
171 
172 IMP_INTERNAL = _IMP_integrative_docking.IMP_INTERNAL
173 
174 IMP_KERNEL_HAS_LOG4CXX = _IMP_integrative_docking.IMP_KERNEL_HAS_LOG4CXX
175 
176 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_integrative_docking.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
177 
178 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_integrative_docking.IMP_COMPILER_HAS_DEBUG_VECTOR
179 
180 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_integrative_docking.IMP_COMPILER_HAS_RANDOM_SHUFFLE
181 
182 IMP_COMPILER_HAS_THREE_WAY = _IMP_integrative_docking.IMP_COMPILER_HAS_THREE_WAY
183 
184 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_integrative_docking.IMP_KERNEL_HAS_BOOST_RANDOM
185 
186 IMP_KERNEL_HAS_NUMPY = _IMP_integrative_docking.IMP_KERNEL_HAS_NUMPY
187 
188 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_integrative_docking.IMP_KERNEL_HAS_GPERFTOOLS
189 
190 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_integrative_docking.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
191 
192 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_integrative_docking.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
193 
194 IMPKERNEL_SHOW_WARNINGS = _IMP_integrative_docking.IMPKERNEL_SHOW_WARNINGS
195 
196 
197 import sys
198 class _DirectorObjects(object):
199  """@internal Simple class to keep references to director objects
200  to prevent premature deletion."""
201  def __init__(self):
202  self._objects = []
203  def register(self, obj):
204  """Take a reference to a director object; will only work for
205  refcounted C++ classes"""
206  if hasattr(obj, 'get_ref_count'):
207  self._objects.append(obj)
208  def cleanup(self):
209  """Only drop our reference and allow cleanup by Python if no other
210  Python references exist (we hold 3 references: one in self._objects,
211  one in x, and one in the argument list for getrefcount) *and* no
212  other C++ references exist (the Python object always holds one)"""
213  objs = [x for x in self._objects if sys.getrefcount(x) > 3 \
214  or x.get_ref_count() > 1]
215 # Do in two steps so the references are kept until the end of the
216 # function (deleting references may trigger a fresh call to this method)
217  self._objects = objs
218  def get_object_count(self):
219  """Get number of director objects (useful for testing only)"""
220  return len(self._objects)
221 _director_objects = _DirectorObjects()
222 
223 class _ostream(object):
224  r"""Proxy of C++ std::ostream class."""
225 
226  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
227 
228  def __init__(self, *args, **kwargs):
229  raise AttributeError("No constructor defined")
230  __repr__ = _swig_repr
231 
232  def write(self, osa_buf):
233  r"""write(_ostream self, char const * osa_buf)"""
234  return _IMP_integrative_docking._ostream_write(self, osa_buf)
235 
236 # Register _ostream in _IMP_integrative_docking:
237 _IMP_integrative_docking._ostream_swigregister(_ostream)
238 IMP_C_OPEN_BINARY = _IMP_integrative_docking.IMP_C_OPEN_BINARY
239 
240 import IMP
241 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_integrative_docking.IMP_CGAL_HAS_BOOST_FILESYSTEM
242 
243 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_integrative_docking.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
244 
245 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_integrative_docking.IMP_CGAL_HAS_BOOST_RANDOM
246 
247 IMP_CGAL_HAS_BOOST_SYSTEM = _IMP_integrative_docking.IMP_CGAL_HAS_BOOST_SYSTEM
248 
249 IMP_CGAL_HAS_NUMPY = _IMP_integrative_docking.IMP_CGAL_HAS_NUMPY
250 
251 IMPCGAL_SHOW_WARNINGS = _IMP_integrative_docking.IMPCGAL_SHOW_WARNINGS
252 
253 import IMP.cgal
254 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_integrative_docking.IMP_ALGEBRA_HAS_IMP_CGAL
255 
256 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_integrative_docking.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
257 
258 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_integrative_docking.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
259 
260 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_integrative_docking.IMP_ALGEBRA_HAS_BOOST_RANDOM
261 
262 IMP_ALGEBRA_HAS_BOOST_SYSTEM = _IMP_integrative_docking.IMP_ALGEBRA_HAS_BOOST_SYSTEM
263 
264 IMP_ALGEBRA_HAS_CGAL = _IMP_integrative_docking.IMP_ALGEBRA_HAS_CGAL
265 
266 IMP_ALGEBRA_HAS_NUMPY = _IMP_integrative_docking.IMP_ALGEBRA_HAS_NUMPY
267 
268 IMP_ALGEBRA_HAS_ANN = _IMP_integrative_docking.IMP_ALGEBRA_HAS_ANN
269 
270 IMPALGEBRA_SHOW_WARNINGS = _IMP_integrative_docking.IMPALGEBRA_SHOW_WARNINGS
271 
272 import IMP.algebra
273 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_integrative_docking.IMP_DISPLAY_HAS_IMP_CGAL
274 
275 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_integrative_docking.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
276 
277 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_integrative_docking.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
278 
279 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_integrative_docking.IMP_DISPLAY_HAS_BOOST_RANDOM
280 
281 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_integrative_docking.IMP_DISPLAY_HAS_BOOST_SYSTEM
282 
283 IMP_DISPLAY_HAS_CGAL = _IMP_integrative_docking.IMP_DISPLAY_HAS_CGAL
284 
285 IMP_DISPLAY_HAS_NUMPY = _IMP_integrative_docking.IMP_DISPLAY_HAS_NUMPY
286 
287 IMPDISPLAY_SHOW_WARNINGS = _IMP_integrative_docking.IMPDISPLAY_SHOW_WARNINGS
288 
289 import IMP.display
290 IMP_GSL_HAS_IMP_CGAL = _IMP_integrative_docking.IMP_GSL_HAS_IMP_CGAL
291 
292 IMP_GSL_HAS_BOOST_FILESYSTEM = _IMP_integrative_docking.IMP_GSL_HAS_BOOST_FILESYSTEM
293 
294 IMP_GSL_HAS_BOOST_PROGRAMOPTIONS = _IMP_integrative_docking.IMP_GSL_HAS_BOOST_PROGRAMOPTIONS
295 
296 IMP_GSL_HAS_BOOST_RANDOM = _IMP_integrative_docking.IMP_GSL_HAS_BOOST_RANDOM
297 
298 IMP_GSL_HAS_BOOST_SYSTEM = _IMP_integrative_docking.IMP_GSL_HAS_BOOST_SYSTEM
299 
300 IMP_GSL_HAS_CGAL = _IMP_integrative_docking.IMP_GSL_HAS_CGAL
301 
302 IMP_GSL_HAS_NUMPY = _IMP_integrative_docking.IMP_GSL_HAS_NUMPY
303 
304 IMPGSL_SHOW_WARNINGS = _IMP_integrative_docking.IMPGSL_SHOW_WARNINGS
305 
306 import IMP.gsl
307 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_integrative_docking.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
308 
309 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_integrative_docking.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
310 
311 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_integrative_docking.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
312 
313 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_integrative_docking.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
314 
315 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_integrative_docking.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
316 
317 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_integrative_docking.IMP_SCORE_FUNCTOR_HAS_CGAL
318 
319 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_integrative_docking.IMP_SCORE_FUNCTOR_HAS_HDF5
320 
321 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_integrative_docking.IMP_SCORE_FUNCTOR_HAS_NUMPY
322 
323 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_integrative_docking.IMPSCOREFUNCTOR_SHOW_WARNINGS
324 
325 import IMP.score_functor
326 IMP_STATISTICS_HAS_IMP_CGAL = _IMP_integrative_docking.IMP_STATISTICS_HAS_IMP_CGAL
327 
328 IMP_STATISTICS_HAS_BOOST_FILESYSTEM = _IMP_integrative_docking.IMP_STATISTICS_HAS_BOOST_FILESYSTEM
329 
330 IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS = _IMP_integrative_docking.IMP_STATISTICS_HAS_BOOST_PROGRAMOPTIONS
331 
332 IMP_STATISTICS_HAS_BOOST_RANDOM = _IMP_integrative_docking.IMP_STATISTICS_HAS_BOOST_RANDOM
333 
334 IMP_STATISTICS_HAS_BOOST_SYSTEM = _IMP_integrative_docking.IMP_STATISTICS_HAS_BOOST_SYSTEM
335 
336 IMP_STATISTICS_HAS_CGAL = _IMP_integrative_docking.IMP_STATISTICS_HAS_CGAL
337 
338 IMP_STATISTICS_HAS_NUMPY = _IMP_integrative_docking.IMP_STATISTICS_HAS_NUMPY
339 
340 IMPSTATISTICS_SHOW_WARNINGS = _IMP_integrative_docking.IMPSTATISTICS_SHOW_WARNINGS
341 
342 import IMP.statistics
343 IMP_CORE_HAS_IMP_CGAL = _IMP_integrative_docking.IMP_CORE_HAS_IMP_CGAL
344 
345 IMP_CORE_HAS_IMP_KERNEL = _IMP_integrative_docking.IMP_CORE_HAS_IMP_KERNEL
346 
347 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_integrative_docking.IMP_CORE_HAS_BOOST_FILESYSTEM
348 
349 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_integrative_docking.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
350 
351 IMP_CORE_HAS_BOOST_RANDOM = _IMP_integrative_docking.IMP_CORE_HAS_BOOST_RANDOM
352 
353 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_integrative_docking.IMP_CORE_HAS_BOOST_SYSTEM
354 
355 IMP_CORE_HAS_CGAL = _IMP_integrative_docking.IMP_CORE_HAS_CGAL
356 
357 IMP_CORE_HAS_HDF5 = _IMP_integrative_docking.IMP_CORE_HAS_HDF5
358 
359 IMP_CORE_HAS_NUMPY = _IMP_integrative_docking.IMP_CORE_HAS_NUMPY
360 
361 IMPCORE_SHOW_WARNINGS = _IMP_integrative_docking.IMPCORE_SHOW_WARNINGS
362 
363 import IMP.core
364 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_integrative_docking.IMP_CONTAINER_HAS_IMP_ALGEBRA
365 
366 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_integrative_docking.IMP_CONTAINER_HAS_IMP_CGAL
367 
368 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_integrative_docking.IMP_CONTAINER_HAS_IMP_DISPLAY
369 
370 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_integrative_docking.IMP_CONTAINER_HAS_IMP_KERNEL
371 
372 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_integrative_docking.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
373 
374 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_integrative_docking.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
375 
376 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_integrative_docking.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
377 
378 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_integrative_docking.IMP_CONTAINER_HAS_BOOST_RANDOM
379 
380 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_integrative_docking.IMP_CONTAINER_HAS_BOOST_SYSTEM
381 
382 IMP_CONTAINER_HAS_CGAL = _IMP_integrative_docking.IMP_CONTAINER_HAS_CGAL
383 
384 IMP_CONTAINER_HAS_HDF5 = _IMP_integrative_docking.IMP_CONTAINER_HAS_HDF5
385 
386 IMP_CONTAINER_HAS_NUMPY = _IMP_integrative_docking.IMP_CONTAINER_HAS_NUMPY
387 
388 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_integrative_docking.IMP_CONTAINER_HAS_PYTHON_IHM
389 
390 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_integrative_docking.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
391 
392 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_integrative_docking.IMP_CONTAINER_HAS_ROBIN_MAP
393 
394 IMPCONTAINER_SHOW_WARNINGS = _IMP_integrative_docking.IMPCONTAINER_SHOW_WARNINGS
395 
396 import IMP.container
397 IMP_ATOM_HAS_IMP_CGAL = _IMP_integrative_docking.IMP_ATOM_HAS_IMP_CGAL
398 
399 IMP_ATOM_HAS_IMP_KERNEL = _IMP_integrative_docking.IMP_ATOM_HAS_IMP_KERNEL
400 
401 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_integrative_docking.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
402 
403 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_integrative_docking.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
404 
405 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_integrative_docking.IMP_ATOM_HAS_BOOST_RANDOM
406 
407 IMP_ATOM_HAS_BOOST_REGEX = _IMP_integrative_docking.IMP_ATOM_HAS_BOOST_REGEX
408 
409 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_integrative_docking.IMP_ATOM_HAS_BOOST_SYSTEM
410 
411 IMP_ATOM_HAS_CGAL = _IMP_integrative_docking.IMP_ATOM_HAS_CGAL
412 
413 IMP_ATOM_HAS_HDF5 = _IMP_integrative_docking.IMP_ATOM_HAS_HDF5
414 
415 IMP_ATOM_HAS_NUMPY = _IMP_integrative_docking.IMP_ATOM_HAS_NUMPY
416 
417 IMP_ATOM_HAS_PYTHON_IHM = _IMP_integrative_docking.IMP_ATOM_HAS_PYTHON_IHM
418 
419 IMPATOM_SHOW_WARNINGS = _IMP_integrative_docking.IMPATOM_SHOW_WARNINGS
420 
421 IMP_ATOM_TYPE_INDEX = _IMP_integrative_docking.IMP_ATOM_TYPE_INDEX
422 
423 IMP_RESIDUE_TYPE_INDEX = _IMP_integrative_docking.IMP_RESIDUE_TYPE_INDEX
424 
425 IMP_HIERARCHY_TYPE_INDEX = _IMP_integrative_docking.IMP_HIERARCHY_TYPE_INDEX
426 
427 IMP_CHAIN_TYPE_INDEX = _IMP_integrative_docking.IMP_CHAIN_TYPE_INDEX
428 
429 import IMP.atom
430 IMP_EM_HAS_IMP_CGAL = _IMP_integrative_docking.IMP_EM_HAS_IMP_CGAL
431 
432 IMP_EM_HAS_IMP_CONTAINER = _IMP_integrative_docking.IMP_EM_HAS_IMP_CONTAINER
433 
434 IMP_EM_HAS_IMP_DISPLAY = _IMP_integrative_docking.IMP_EM_HAS_IMP_DISPLAY
435 
436 IMP_EM_HAS_IMP_SCORE_FUNCTOR = _IMP_integrative_docking.IMP_EM_HAS_IMP_SCORE_FUNCTOR
437 
438 IMP_EM_HAS_BOOST_FILESYSTEM = _IMP_integrative_docking.IMP_EM_HAS_BOOST_FILESYSTEM
439 
440 IMP_EM_HAS_BOOST_PROGRAMOPTIONS = _IMP_integrative_docking.IMP_EM_HAS_BOOST_PROGRAMOPTIONS
441 
442 IMP_EM_HAS_BOOST_RANDOM = _IMP_integrative_docking.IMP_EM_HAS_BOOST_RANDOM
443 
444 IMP_EM_HAS_BOOST_REGEX = _IMP_integrative_docking.IMP_EM_HAS_BOOST_REGEX
445 
446 IMP_EM_HAS_BOOST_SYSTEM = _IMP_integrative_docking.IMP_EM_HAS_BOOST_SYSTEM
447 
448 IMP_EM_HAS_CGAL = _IMP_integrative_docking.IMP_EM_HAS_CGAL
449 
450 IMP_EM_HAS_HDF5 = _IMP_integrative_docking.IMP_EM_HAS_HDF5
451 
452 IMP_EM_HAS_NUMPY = _IMP_integrative_docking.IMP_EM_HAS_NUMPY
453 
454 IMP_EM_HAS_PYTHON_IHM = _IMP_integrative_docking.IMP_EM_HAS_PYTHON_IHM
455 
456 IMPEM_SHOW_WARNINGS = _IMP_integrative_docking.IMPEM_SHOW_WARNINGS
457 
458 import IMP.em
459 IMP_SAXS_HAS_IMP_CGAL = _IMP_integrative_docking.IMP_SAXS_HAS_IMP_CGAL
460 
461 IMP_SAXS_HAS_IMP_CONTAINER = _IMP_integrative_docking.IMP_SAXS_HAS_IMP_CONTAINER
462 
463 IMP_SAXS_HAS_IMP_DISPLAY = _IMP_integrative_docking.IMP_SAXS_HAS_IMP_DISPLAY
464 
465 IMP_SAXS_HAS_IMP_KERNEL = _IMP_integrative_docking.IMP_SAXS_HAS_IMP_KERNEL
466 
467 IMP_SAXS_HAS_IMP_SCORE_FUNCTOR = _IMP_integrative_docking.IMP_SAXS_HAS_IMP_SCORE_FUNCTOR
468 
469 IMP_SAXS_HAS_BOOST_FILESYSTEM = _IMP_integrative_docking.IMP_SAXS_HAS_BOOST_FILESYSTEM
470 
471 IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS = _IMP_integrative_docking.IMP_SAXS_HAS_BOOST_PROGRAMOPTIONS
472 
473 IMP_SAXS_HAS_BOOST_RANDOM = _IMP_integrative_docking.IMP_SAXS_HAS_BOOST_RANDOM
474 
475 IMP_SAXS_HAS_BOOST_REGEX = _IMP_integrative_docking.IMP_SAXS_HAS_BOOST_REGEX
476 
477 IMP_SAXS_HAS_BOOST_SYSTEM = _IMP_integrative_docking.IMP_SAXS_HAS_BOOST_SYSTEM
478 
479 IMP_SAXS_HAS_CGAL = _IMP_integrative_docking.IMP_SAXS_HAS_CGAL
480 
481 IMP_SAXS_HAS_HDF5 = _IMP_integrative_docking.IMP_SAXS_HAS_HDF5
482 
483 IMP_SAXS_HAS_NUMPY = _IMP_integrative_docking.IMP_SAXS_HAS_NUMPY
484 
485 IMP_SAXS_HAS_PYTHON_IHM = _IMP_integrative_docking.IMP_SAXS_HAS_PYTHON_IHM
486 
487 IMPSAXS_SHOW_WARNINGS = _IMP_integrative_docking.IMPSAXS_SHOW_WARNINGS
488 
489 import IMP.saxs
490 IMP_ISD_HAS_IMP_CGAL = _IMP_integrative_docking.IMP_ISD_HAS_IMP_CGAL
491 
492 IMP_ISD_HAS_IMP_DISPLAY = _IMP_integrative_docking.IMP_ISD_HAS_IMP_DISPLAY
493 
494 IMP_ISD_HAS_IMP_SCORE_FUNCTOR = _IMP_integrative_docking.IMP_ISD_HAS_IMP_SCORE_FUNCTOR
495 
496 IMP_ISD_HAS_BOOST_FILESYSTEM = _IMP_integrative_docking.IMP_ISD_HAS_BOOST_FILESYSTEM
497 
498 IMP_ISD_HAS_BOOST_PROGRAMOPTIONS = _IMP_integrative_docking.IMP_ISD_HAS_BOOST_PROGRAMOPTIONS
499 
500 IMP_ISD_HAS_BOOST_RANDOM = _IMP_integrative_docking.IMP_ISD_HAS_BOOST_RANDOM
501 
502 IMP_ISD_HAS_BOOST_REGEX = _IMP_integrative_docking.IMP_ISD_HAS_BOOST_REGEX
503 
504 IMP_ISD_HAS_BOOST_SYSTEM = _IMP_integrative_docking.IMP_ISD_HAS_BOOST_SYSTEM
505 
506 IMP_ISD_HAS_CGAL = _IMP_integrative_docking.IMP_ISD_HAS_CGAL
507 
508 IMP_ISD_HAS_HDF5 = _IMP_integrative_docking.IMP_ISD_HAS_HDF5
509 
510 IMP_ISD_HAS_NUMPY = _IMP_integrative_docking.IMP_ISD_HAS_NUMPY
511 
512 IMP_ISD_HAS_PYTHON_IHM = _IMP_integrative_docking.IMP_ISD_HAS_PYTHON_IHM
513 
514 IMPISD_SHOW_WARNINGS = _IMP_integrative_docking.IMPISD_SHOW_WARNINGS
515 
516 import IMP.isd
517 IMP_RMF_HAS_IMP_CGAL = _IMP_integrative_docking.IMP_RMF_HAS_IMP_CGAL
518 
519 IMP_RMF_HAS_IMP_EM = _IMP_integrative_docking.IMP_RMF_HAS_IMP_EM
520 
521 IMP_RMF_HAS_IMP_SAXS = _IMP_integrative_docking.IMP_RMF_HAS_IMP_SAXS
522 
523 IMP_RMF_HAS_IMP_SCORE_FUNCTOR = _IMP_integrative_docking.IMP_RMF_HAS_IMP_SCORE_FUNCTOR
524 
525 IMP_RMF_HAS_IMP_STATISTICS = _IMP_integrative_docking.IMP_RMF_HAS_IMP_STATISTICS
526 
527 IMP_RMF_HAS_BOOST_FILESYSTEM = _IMP_integrative_docking.IMP_RMF_HAS_BOOST_FILESYSTEM
528 
529 IMP_RMF_HAS_BOOST_PROGRAMOPTIONS = _IMP_integrative_docking.IMP_RMF_HAS_BOOST_PROGRAMOPTIONS
530 
531 IMP_RMF_HAS_BOOST_RANDOM = _IMP_integrative_docking.IMP_RMF_HAS_BOOST_RANDOM
532 
533 IMP_RMF_HAS_BOOST_REGEX = _IMP_integrative_docking.IMP_RMF_HAS_BOOST_REGEX
534 
535 IMP_RMF_HAS_BOOST_SYSTEM = _IMP_integrative_docking.IMP_RMF_HAS_BOOST_SYSTEM
536 
537 IMP_RMF_HAS_CGAL = _IMP_integrative_docking.IMP_RMF_HAS_CGAL
538 
539 IMP_RMF_HAS_HDF5 = _IMP_integrative_docking.IMP_RMF_HAS_HDF5
540 
541 IMP_RMF_HAS_NUMPY = _IMP_integrative_docking.IMP_RMF_HAS_NUMPY
542 
543 IMP_RMF_HAS_PYTHON_IHM = _IMP_integrative_docking.IMP_RMF_HAS_PYTHON_IHM
544 
545 IMPRMF_SHOW_WARNINGS = _IMP_integrative_docking.IMPRMF_SHOW_WARNINGS
546 
547 import IMP.rmf
548 import RMF
549 IMP_DOMINO_HAS_IMP_ATOM = _IMP_integrative_docking.IMP_DOMINO_HAS_IMP_ATOM
550 
551 IMP_DOMINO_HAS_IMP_CGAL = _IMP_integrative_docking.IMP_DOMINO_HAS_IMP_CGAL
552 
553 IMP_DOMINO_HAS_IMP_EM = _IMP_integrative_docking.IMP_DOMINO_HAS_IMP_EM
554 
555 IMP_DOMINO_HAS_IMP_ISD = _IMP_integrative_docking.IMP_DOMINO_HAS_IMP_ISD
556 
557 IMP_DOMINO_HAS_IMP_KERNEL = _IMP_integrative_docking.IMP_DOMINO_HAS_IMP_KERNEL
558 
559 IMP_DOMINO_HAS_IMP_RMF = _IMP_integrative_docking.IMP_DOMINO_HAS_IMP_RMF
560 
561 IMP_DOMINO_HAS_IMP_SAXS = _IMP_integrative_docking.IMP_DOMINO_HAS_IMP_SAXS
562 
563 IMP_DOMINO_HAS_IMP_SCORE_FUNCTOR = _IMP_integrative_docking.IMP_DOMINO_HAS_IMP_SCORE_FUNCTOR
564 
565 IMP_DOMINO_HAS_BOOST_FILESYSTEM = _IMP_integrative_docking.IMP_DOMINO_HAS_BOOST_FILESYSTEM
566 
567 IMP_DOMINO_HAS_BOOST_PROGRAMOPTIONS = _IMP_integrative_docking.IMP_DOMINO_HAS_BOOST_PROGRAMOPTIONS
568 
569 IMP_DOMINO_HAS_BOOST_RANDOM = _IMP_integrative_docking.IMP_DOMINO_HAS_BOOST_RANDOM
570 
571 IMP_DOMINO_HAS_BOOST_REGEX = _IMP_integrative_docking.IMP_DOMINO_HAS_BOOST_REGEX
572 
573 IMP_DOMINO_HAS_BOOST_SYSTEM = _IMP_integrative_docking.IMP_DOMINO_HAS_BOOST_SYSTEM
574 
575 IMP_DOMINO_HAS_CGAL = _IMP_integrative_docking.IMP_DOMINO_HAS_CGAL
576 
577 IMP_DOMINO_HAS_HDF5 = _IMP_integrative_docking.IMP_DOMINO_HAS_HDF5
578 
579 IMP_DOMINO_HAS_NUMPY = _IMP_integrative_docking.IMP_DOMINO_HAS_NUMPY
580 
581 IMP_DOMINO_HAS_RMF = _IMP_integrative_docking.IMP_DOMINO_HAS_RMF
582 
583 IMP_DOMINO_HAS_PYTHON_IHM = _IMP_integrative_docking.IMP_DOMINO_HAS_PYTHON_IHM
584 
585 IMPDOMINO_SHOW_WARNINGS = _IMP_integrative_docking.IMPDOMINO_SHOW_WARNINGS
586 
587 import RMF_HDF5
588 import IMP.domino
589 IMP_EM2D_HAS_IMP_CGAL = _IMP_integrative_docking.IMP_EM2D_HAS_IMP_CGAL
590 
591 IMP_EM2D_HAS_IMP_ISD = _IMP_integrative_docking.IMP_EM2D_HAS_IMP_ISD
592 
593 IMP_EM2D_HAS_IMP_KERNEL = _IMP_integrative_docking.IMP_EM2D_HAS_IMP_KERNEL
594 
595 IMP_EM2D_HAS_IMP_RMF = _IMP_integrative_docking.IMP_EM2D_HAS_IMP_RMF
596 
597 IMP_EM2D_HAS_IMP_SAXS = _IMP_integrative_docking.IMP_EM2D_HAS_IMP_SAXS
598 
599 IMP_EM2D_HAS_IMP_SCORE_FUNCTOR = _IMP_integrative_docking.IMP_EM2D_HAS_IMP_SCORE_FUNCTOR
600 
601 IMP_EM2D_HAS_IMP_STATISTICS = _IMP_integrative_docking.IMP_EM2D_HAS_IMP_STATISTICS
602 
603 IMP_EM2D_HAS_BOOST_GRAPH = _IMP_integrative_docking.IMP_EM2D_HAS_BOOST_GRAPH
604 
605 IMP_EM2D_HAS_BOOST_RANDOM = _IMP_integrative_docking.IMP_EM2D_HAS_BOOST_RANDOM
606 
607 IMP_EM2D_HAS_BOOST_REGEX = _IMP_integrative_docking.IMP_EM2D_HAS_BOOST_REGEX
608 
609 IMP_EM2D_HAS_BOOST_SYSTEM = _IMP_integrative_docking.IMP_EM2D_HAS_BOOST_SYSTEM
610 
611 IMP_EM2D_HAS_CGAL = _IMP_integrative_docking.IMP_EM2D_HAS_CGAL
612 
613 IMP_EM2D_HAS_GSL = _IMP_integrative_docking.IMP_EM2D_HAS_GSL
614 
615 IMP_EM2D_HAS_HDF5 = _IMP_integrative_docking.IMP_EM2D_HAS_HDF5
616 
617 IMP_EM2D_HAS_NUMPY = _IMP_integrative_docking.IMP_EM2D_HAS_NUMPY
618 
619 IMP_EM2D_HAS_OPENCV3 = _IMP_integrative_docking.IMP_EM2D_HAS_OPENCV3
620 
621 IMP_EM2D_HAS_RMF = _IMP_integrative_docking.IMP_EM2D_HAS_RMF
622 
623 IMP_EM2D_HAS_PYTHON_IHM = _IMP_integrative_docking.IMP_EM2D_HAS_PYTHON_IHM
624 
625 IMP_EM2D_HAS_OPENCV21 = _IMP_integrative_docking.IMP_EM2D_HAS_OPENCV21
626 
627 IMP_EM2D_HAS_OPENCV22 = _IMP_integrative_docking.IMP_EM2D_HAS_OPENCV22
628 
629 IMPEM2D_SHOW_WARNINGS = _IMP_integrative_docking.IMPEM2D_SHOW_WARNINGS
630 
631 import IMP.em2d
632 IMP_INTEGRATIVE_DOCKING_HAS_IMP_ALGEBRA = _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_HAS_IMP_ALGEBRA
633 
634 IMP_INTEGRATIVE_DOCKING_HAS_IMP_ATOM = _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_HAS_IMP_ATOM
635 
636 IMP_INTEGRATIVE_DOCKING_HAS_IMP_CGAL = _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_HAS_IMP_CGAL
637 
638 IMP_INTEGRATIVE_DOCKING_HAS_IMP_CONTAINER = _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_HAS_IMP_CONTAINER
639 
640 IMP_INTEGRATIVE_DOCKING_HAS_IMP_CORE = _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_HAS_IMP_CORE
641 
642 IMP_INTEGRATIVE_DOCKING_HAS_IMP_DISPLAY = _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_HAS_IMP_DISPLAY
643 
644 IMP_INTEGRATIVE_DOCKING_HAS_IMP_DOMINO = _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_HAS_IMP_DOMINO
645 
646 IMP_INTEGRATIVE_DOCKING_HAS_IMP_GSL = _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_HAS_IMP_GSL
647 
648 IMP_INTEGRATIVE_DOCKING_HAS_IMP_ISD = _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_HAS_IMP_ISD
649 
650 IMP_INTEGRATIVE_DOCKING_HAS_IMP_KERNEL = _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_HAS_IMP_KERNEL
651 
652 IMP_INTEGRATIVE_DOCKING_HAS_IMP_RMF = _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_HAS_IMP_RMF
653 
654 IMP_INTEGRATIVE_DOCKING_HAS_IMP_SCORE_FUNCTOR = _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_HAS_IMP_SCORE_FUNCTOR
655 
656 IMP_INTEGRATIVE_DOCKING_HAS_IMP_STATISTICS = _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_HAS_IMP_STATISTICS
657 
658 IMP_INTEGRATIVE_DOCKING_HAS_BOOST_FILESYSTEM = _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_HAS_BOOST_FILESYSTEM
659 
660 IMP_INTEGRATIVE_DOCKING_HAS_BOOST_GRAPH = _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_HAS_BOOST_GRAPH
661 
662 IMP_INTEGRATIVE_DOCKING_HAS_BOOST_RANDOM = _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_HAS_BOOST_RANDOM
663 
664 IMP_INTEGRATIVE_DOCKING_HAS_BOOST_REGEX = _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_HAS_BOOST_REGEX
665 
666 IMP_INTEGRATIVE_DOCKING_HAS_BOOST_SYSTEM = _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_HAS_BOOST_SYSTEM
667 
668 IMP_INTEGRATIVE_DOCKING_HAS_CGAL = _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_HAS_CGAL
669 
670 IMP_INTEGRATIVE_DOCKING_HAS_FFTW3 = _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_HAS_FFTW3
671 
672 IMP_INTEGRATIVE_DOCKING_HAS_GSL = _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_HAS_GSL
673 
674 IMP_INTEGRATIVE_DOCKING_HAS_HDF5 = _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_HAS_HDF5
675 
676 IMP_INTEGRATIVE_DOCKING_HAS_NUMPY = _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_HAS_NUMPY
677 
678 IMP_INTEGRATIVE_DOCKING_HAS_OPENCV3 = _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_HAS_OPENCV3
679 
680 IMP_INTEGRATIVE_DOCKING_HAS_RMF = _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_HAS_RMF
681 
682 IMP_INTEGRATIVE_DOCKING_HAS_PYTHON_IHM = _IMP_integrative_docking.IMP_INTEGRATIVE_DOCKING_HAS_PYTHON_IHM
683 
684 IMPINTEGRATIVEDOCKING_SHOW_WARNINGS = _IMP_integrative_docking.IMPINTEGRATIVEDOCKING_SHOW_WARNINGS
685 
686 
687 def get_module_version():
688  r"""get_module_version() -> std::string const"""
689  return _IMP_integrative_docking.get_module_version()
690 
691 def get_example_path(fname):
692  r"""get_example_path(std::string fname) -> std::string"""
693  return _IMP_integrative_docking.get_example_path(fname)
694 
695 def get_data_path(fname):
696  r"""get_data_path(std::string fname) -> std::string"""
697  return _IMP_integrative_docking.get_data_path(fname)
698 
699 from . import _version_check
700 _version_check.check_version(get_module_version())
701 __version__ = get_module_version()
702 
703 
Restraints using electron microscopy 2D images (class averages).
Various classes to hold sets of particles.
Make CGAL functionality available to IMP.
Several general purpose optimizers from the GNU Scientific Library (GSL).
Composable functors to implement scores via compile-time composition.
Code to compute statistical measures.
Basic utilities for handling cryo-electron microscopy 3D density maps.
Basic functionality that is expected to be used by a wide variety of IMP users.
General purpose algebraic and geometric methods that are expected to be used by a wide variety of IMP...
std::string get_module_version()
Return the version of this module, as a string.
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
Output IMP model data in various file formats.
Functionality for loading, creating, manipulating and scoring atomic structures.
std::string get_data_path(std::string file_name)
Return the full path to one of this module's data files.
Support for the RMF file format for storing hierarchical molecular data and markup.
Divide-and-conquer inferential optimization in discrete space.
Support for small angle X-ray scattering (SAXS) data.
Inferential scoring building on methods developed as part of the Inferential Structure Determination ...