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IMP Reference Guide  develop.345e71cb9a,2026/08/10
The Integrative Modeling Platform
rotamer/__init__.py
1 # This file was automatically generated by SWIG (https://www.swig.org).
2 # Version 4.5.0
3 #
4 # Do not make changes to this file unless you know what you are doing - modify
5 # the SWIG interface file instead.
6 
7 
8 # This wrapper is part of IMP,
9 # Copyright 2007-2026 IMP Inventors. All rights reserved.
10 
11 
12 
13 
14 import typing
15 import _IMP_rotamer
16 
17 import builtins as __builtin__
18 
19 def _swig_repr(self):
20  try:
21  strthis = "proxy of " + self.this.__repr__()
22  except __builtin__.Exception:
23  strthis = ""
24  return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
25 
26 
27 def _swig_setattr_nondynamic_instance_variable(set):
28  def set_instance_attr(self, name, value):
29  if name == "this":
30  set(self, name, value)
31  elif name == "thisown":
32  self.this.own(value)
33  elif hasattr(self, name) and isinstance(getattr(type(self), name), property):
34  set(self, name, value)
35  else:
36  raise AttributeError("You cannot add instance attributes to %s" % self)
37  return set_instance_attr
38 
39 
40 def _swig_setattr_nondynamic_class_variable(set):
41  def set_class_attr(cls, name, value):
42  if hasattr(cls, name) and not isinstance(getattr(cls, name), property):
43  set(cls, name, value)
44  else:
45  raise AttributeError("You cannot add class attributes to %s" % cls)
46  return set_class_attr
47 
48 
49 class _SwigNonDynamicMeta(type):
50  """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
51  __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
52 
53 
54 import weakref
55 
56 class IMP_ROTAMER_SwigPyIterator(object):
57  r"""Proxy of C++ swig::IMP_ROTAMER_SwigPyIterator class."""
58 
59  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
60 
61  def __init__(self, *args, **kwargs):
62  raise AttributeError("No constructor defined - class is abstract")
63  __repr__ = _swig_repr
64  __swig_destroy__ = _IMP_rotamer.delete_IMP_ROTAMER_SwigPyIterator
65 
66  def value(self):
67  r"""value(IMP_ROTAMER_SwigPyIterator self) -> PyObject *"""
68  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_value(self)
69 
70  def incr(self, n=1):
71  r"""incr(IMP_ROTAMER_SwigPyIterator self, size_t n=1) -> IMP_ROTAMER_SwigPyIterator"""
72  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_incr(self, n)
73 
74  def decr(self, n=1):
75  r"""decr(IMP_ROTAMER_SwigPyIterator self, size_t n=1) -> IMP_ROTAMER_SwigPyIterator"""
76  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_decr(self, n)
77 
78  def distance(self, x):
79  r"""distance(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> ptrdiff_t"""
80  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_distance(self, x)
81 
82  def equal(self, x):
83  r"""equal(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> bool"""
84  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_equal(self, x)
85 
86  def copy(self):
87  r"""copy(IMP_ROTAMER_SwigPyIterator self) -> IMP_ROTAMER_SwigPyIterator"""
88  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_copy(self)
89 
90  def __next__(self):
91  r"""__next__(IMP_ROTAMER_SwigPyIterator self) -> PyObject *"""
92  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___next__(self)
93 
94  def previous(self):
95  r"""previous(IMP_ROTAMER_SwigPyIterator self) -> PyObject *"""
96  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_previous(self)
97 
98  def advance(self, n):
99  r"""advance(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator"""
100  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_advance(self, n)
101 
102  def __eq__(self, x):
103  r"""__eq__(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> bool"""
104  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___eq__(self, x)
105 
106  def __ne__(self, x):
107  r"""__ne__(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> bool"""
108  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___ne__(self, x)
109 
110  def __iadd__(self, n):
111  r"""__iadd__(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator"""
112  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___iadd__(self, n)
113 
114  def __isub__(self, n):
115  r"""__isub__(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator"""
116  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___isub__(self, n)
117 
118  def __add__(self, n):
119  r"""__add__(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator"""
120  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___add__(self, n)
121 
122  def __sub__(self, *args):
123  r"""
124  __sub__(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator
125  __sub__(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> ptrdiff_t
126  """
127  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___sub__(self, *args)
128  def __iter__(self):
129  return self
130 
131 # Register IMP_ROTAMER_SwigPyIterator in _IMP_rotamer:
132 _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_swigregister(IMP_ROTAMER_SwigPyIterator)
133 
134 _value_types=[]
135 _object_types=[]
136 _raii_types=[]
137 _plural_types=[]
138 
139 IMP_DEBUG = _IMP_rotamer.IMP_DEBUG
140 
141 IMP_RELEASE = _IMP_rotamer.IMP_RELEASE
142 
143 IMP_SILENT = _IMP_rotamer.IMP_SILENT
144 
145 IMP_PROGRESS = _IMP_rotamer.IMP_PROGRESS
146 
147 IMP_TERSE = _IMP_rotamer.IMP_TERSE
148 
149 IMP_VERBOSE = _IMP_rotamer.IMP_VERBOSE
150 
151 IMP_MEMORY = _IMP_rotamer.IMP_MEMORY
152 
153 IMP_NONE = _IMP_rotamer.IMP_NONE
154 
155 IMP_USAGE = _IMP_rotamer.IMP_USAGE
156 
157 IMP_INTERNAL = _IMP_rotamer.IMP_INTERNAL
158 
159 IMP_KERNEL_HAS_LOG4CXX = _IMP_rotamer.IMP_KERNEL_HAS_LOG4CXX
160 
161 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_rotamer.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
162 
163 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_rotamer.IMP_COMPILER_HAS_DEBUG_VECTOR
164 
165 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_rotamer.IMP_COMPILER_HAS_RANDOM_SHUFFLE
166 
167 IMP_COMPILER_HAS_THREE_WAY = _IMP_rotamer.IMP_COMPILER_HAS_THREE_WAY
168 
169 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_KERNEL_HAS_BOOST_RANDOM
170 
171 IMP_KERNEL_HAS_NUMPY = _IMP_rotamer.IMP_KERNEL_HAS_NUMPY
172 
173 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_rotamer.IMP_KERNEL_HAS_BOOST_SYSTEM
174 
175 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_rotamer.IMP_KERNEL_HAS_GPERFTOOLS
176 
177 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_rotamer.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
178 
179 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_rotamer.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
180 
181 IMPKERNEL_SHOW_WARNINGS = _IMP_rotamer.IMPKERNEL_SHOW_WARNINGS
182 
183 
184 import sys
185 class _DirectorObjects:
186  """@internal Simple class to keep references to director objects
187  to prevent premature deletion."""
188  def __init__(self):
189  self._objects = []
190  def register(self, obj):
191  """Take a reference to a director object; will only work for
192  refcounted C++ classes"""
193  if hasattr(obj, 'get_ref_count'):
194  self._objects.append(obj)
195  def cleanup(self):
196  """Only drop our reference and allow cleanup by Python if no other
197  Python references exist (we hold 3 references: one in self._objects,
198  one in x, and one in the argument list for getrefcount) *and* no
199  other C++ references exist (the Python object always holds one)"""
200  objs = [x for x in self._objects if sys.getrefcount(x) > 3 \
201  or x.get_ref_count() > 1]
202 # Do in two steps so the references are kept until the end of the
203 # function (deleting references may trigger a fresh call to this method)
204  self._objects = objs
205  def get_object_count(self):
206  """Get number of director objects (useful for testing only)"""
207  return len(self._objects)
208 _director_objects = _DirectorObjects()
209 
210 class _ostream(object):
211  r"""Proxy of C++ std::ostream class."""
212 
213  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
214 
215  def __init__(self, *args, **kwargs):
216  raise AttributeError("No constructor defined")
217  __repr__ = _swig_repr
218 
219  def write(self, osa_buf):
220  r"""write(_ostream self, char const * osa_buf)"""
221  return _IMP_rotamer._ostream_write(self, osa_buf)
222 
223 # Register _ostream in _IMP_rotamer:
224 _IMP_rotamer._ostream_swigregister(_ostream)
225 IMP_C_OPEN_BINARY = _IMP_rotamer.IMP_C_OPEN_BINARY
226 
227 import IMP
228 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_CGAL_HAS_BOOST_FILESYSTEM
229 
230 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
231 
232 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_CGAL_HAS_BOOST_RANDOM
233 
234 IMP_CGAL_HAS_NUMPY = _IMP_rotamer.IMP_CGAL_HAS_NUMPY
235 
236 IMPCGAL_SHOW_WARNINGS = _IMP_rotamer.IMPCGAL_SHOW_WARNINGS
237 
238 import IMP.cgal
239 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_rotamer.IMP_ALGEBRA_HAS_IMP_CGAL
240 
241 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
242 
243 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
244 
245 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_ALGEBRA_HAS_BOOST_RANDOM
246 
247 IMP_ALGEBRA_HAS_CGAL = _IMP_rotamer.IMP_ALGEBRA_HAS_CGAL
248 
249 IMP_ALGEBRA_HAS_NUMPY = _IMP_rotamer.IMP_ALGEBRA_HAS_NUMPY
250 
251 IMP_ALGEBRA_HAS_ANN = _IMP_rotamer.IMP_ALGEBRA_HAS_ANN
252 
253 IMPALGEBRA_SHOW_WARNINGS = _IMP_rotamer.IMPALGEBRA_SHOW_WARNINGS
254 
255 import IMP.algebra
256 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_rotamer.IMP_DISPLAY_HAS_IMP_CGAL
257 
258 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
259 
260 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
261 
262 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_DISPLAY_HAS_BOOST_RANDOM
263 
264 IMP_DISPLAY_HAS_CGAL = _IMP_rotamer.IMP_DISPLAY_HAS_CGAL
265 
266 IMP_DISPLAY_HAS_NUMPY = _IMP_rotamer.IMP_DISPLAY_HAS_NUMPY
267 
268 IMPDISPLAY_SHOW_WARNINGS = _IMP_rotamer.IMPDISPLAY_SHOW_WARNINGS
269 
270 import IMP.display
271 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
272 
273 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
274 
275 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
276 
277 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
278 
279 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_CGAL
280 
281 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_HDF5
282 
283 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_NUMPY
284 
285 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_rotamer.IMPSCOREFUNCTOR_SHOW_WARNINGS
286 
287 import IMP.score_functor
288 IMP_CORE_HAS_IMP_CGAL = _IMP_rotamer.IMP_CORE_HAS_IMP_CGAL
289 
290 IMP_CORE_HAS_IMP_KERNEL = _IMP_rotamer.IMP_CORE_HAS_IMP_KERNEL
291 
292 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_CORE_HAS_BOOST_FILESYSTEM
293 
294 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
295 
296 IMP_CORE_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_CORE_HAS_BOOST_RANDOM
297 
298 IMP_CORE_HAS_CGAL = _IMP_rotamer.IMP_CORE_HAS_CGAL
299 
300 IMP_CORE_HAS_HDF5 = _IMP_rotamer.IMP_CORE_HAS_HDF5
301 
302 IMP_CORE_HAS_NUMPY = _IMP_rotamer.IMP_CORE_HAS_NUMPY
303 
304 IMPCORE_SHOW_WARNINGS = _IMP_rotamer.IMPCORE_SHOW_WARNINGS
305 
306 import IMP.core
307 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_ALGEBRA
308 
309 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_CGAL
310 
311 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_DISPLAY
312 
313 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_KERNEL
314 
315 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
316 
317 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
318 
319 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
320 
321 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_CONTAINER_HAS_BOOST_RANDOM
322 
323 IMP_CONTAINER_HAS_CGAL = _IMP_rotamer.IMP_CONTAINER_HAS_CGAL
324 
325 IMP_CONTAINER_HAS_HDF5 = _IMP_rotamer.IMP_CONTAINER_HAS_HDF5
326 
327 IMP_CONTAINER_HAS_NUMPY = _IMP_rotamer.IMP_CONTAINER_HAS_NUMPY
328 
329 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_rotamer.IMP_CONTAINER_HAS_PYTHON_IHM
330 
331 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_rotamer.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
332 
333 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_rotamer.IMP_CONTAINER_HAS_ROBIN_MAP
334 
335 IMPCONTAINER_SHOW_WARNINGS = _IMP_rotamer.IMPCONTAINER_SHOW_WARNINGS
336 
337 import IMP.container
338 IMP_ATOM_HAS_IMP_CGAL = _IMP_rotamer.IMP_ATOM_HAS_IMP_CGAL
339 
340 IMP_ATOM_HAS_IMP_KERNEL = _IMP_rotamer.IMP_ATOM_HAS_IMP_KERNEL
341 
342 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_rotamer.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
343 
344 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
345 
346 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_ATOM_HAS_BOOST_RANDOM
347 
348 IMP_ATOM_HAS_BOOST_REGEX = _IMP_rotamer.IMP_ATOM_HAS_BOOST_REGEX
349 
350 IMP_ATOM_HAS_CGAL = _IMP_rotamer.IMP_ATOM_HAS_CGAL
351 
352 IMP_ATOM_HAS_HDF5 = _IMP_rotamer.IMP_ATOM_HAS_HDF5
353 
354 IMP_ATOM_HAS_NUMPY = _IMP_rotamer.IMP_ATOM_HAS_NUMPY
355 
356 IMP_ATOM_HAS_PYTHON_IHM = _IMP_rotamer.IMP_ATOM_HAS_PYTHON_IHM
357 
358 IMPATOM_SHOW_WARNINGS = _IMP_rotamer.IMPATOM_SHOW_WARNINGS
359 
360 IMP_ATOM_TYPE_INDEX = _IMP_rotamer.IMP_ATOM_TYPE_INDEX
361 
362 IMP_RESIDUE_TYPE_INDEX = _IMP_rotamer.IMP_RESIDUE_TYPE_INDEX
363 
364 IMP_HIERARCHY_TYPE_INDEX = _IMP_rotamer.IMP_HIERARCHY_TYPE_INDEX
365 
366 IMP_CHAIN_TYPE_INDEX = _IMP_rotamer.IMP_CHAIN_TYPE_INDEX
367 
368 import IMP.atom
369 IMP_ROTAMER_HAS_IMP_ALGEBRA = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_ALGEBRA
370 
371 IMP_ROTAMER_HAS_IMP_CGAL = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_CGAL
372 
373 IMP_ROTAMER_HAS_IMP_CONTAINER = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_CONTAINER
374 
375 IMP_ROTAMER_HAS_IMP_DISPLAY = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_DISPLAY
376 
377 IMP_ROTAMER_HAS_IMP_KERNEL = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_KERNEL
378 
379 IMP_ROTAMER_HAS_IMP_SCORE_FUNCTOR = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_SCORE_FUNCTOR
380 
381 IMP_ROTAMER_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_FILESYSTEM
382 
383 IMP_ROTAMER_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_PROGRAMOPTIONS
384 
385 IMP_ROTAMER_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_RANDOM
386 
387 IMP_ROTAMER_HAS_BOOST_REGEX = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_REGEX
388 
389 IMP_ROTAMER_HAS_CGAL = _IMP_rotamer.IMP_ROTAMER_HAS_CGAL
390 
391 IMP_ROTAMER_HAS_HDF5 = _IMP_rotamer.IMP_ROTAMER_HAS_HDF5
392 
393 IMP_ROTAMER_HAS_NUMPY = _IMP_rotamer.IMP_ROTAMER_HAS_NUMPY
394 
395 IMP_ROTAMER_HAS_PYTHON_IHM = _IMP_rotamer.IMP_ROTAMER_HAS_PYTHON_IHM
396 
397 IMPROTAMER_SHOW_WARNINGS = _IMP_rotamer.IMPROTAMER_SHOW_WARNINGS
398 
399 
400 RotamerAngleTuples=list
401 _plural_types.append("RotamerAngleTuples")
402 _value_types.append("RotamerAngleTuple")
403 
404 
405 ResidueRotamers=list
406 _plural_types.append("ResidueRotamers")
407 _value_types.append("ResidueRotamer")
408 
409 
410 _object_types.append("RotamerLibrary")
411 
412 
413 def _object_cast_to_RotamerLibrary(o):
414  r"""_object_cast_to_RotamerLibrary(Object o) -> RotamerLibrary"""
415  return _IMP_rotamer._object_cast_to_RotamerLibrary(o)
416 
417 _object_types.append("RotamerCalculator")
418 
419 
420 def _object_cast_to_RotamerCalculator(o):
421  r"""_object_cast_to_RotamerCalculator(Object o) -> RotamerCalculator"""
422  return _IMP_rotamer._object_cast_to_RotamerCalculator(o)
423 class RotamerAngleTuple(object):
424  r"""Proxy of C++ IMP::rotamer::RotamerAngleTuple class."""
425 
426  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
427 
428  def __init__(self, *args):
429  r"""
430  __init__(RotamerAngleTuple self) -> RotamerAngleTuple
431  __init__(RotamerAngleTuple self, float chi1, float chi2, float chi3, float chi4, float probability) -> RotamerAngleTuple
432  """
433  _IMP_rotamer.RotamerAngleTuple_swiginit(self, _IMP_rotamer.new_RotamerAngleTuple(*args))
434 
435  def get_chi1(self):
436  r"""get_chi1(RotamerAngleTuple self) -> float"""
437  return _IMP_rotamer.RotamerAngleTuple_get_chi1(self)
438 
439  def get_chi2(self):
440  r"""get_chi2(RotamerAngleTuple self) -> float"""
441  return _IMP_rotamer.RotamerAngleTuple_get_chi2(self)
442 
443  def get_chi3(self):
444  r"""get_chi3(RotamerAngleTuple self) -> float"""
445  return _IMP_rotamer.RotamerAngleTuple_get_chi3(self)
446 
447  def get_chi4(self):
448  r"""get_chi4(RotamerAngleTuple self) -> float"""
449  return _IMP_rotamer.RotamerAngleTuple_get_chi4(self)
450 
451  def get_probability(self):
452  r"""get_probability(RotamerAngleTuple self) -> float"""
453  return _IMP_rotamer.RotamerAngleTuple_get_probability(self)
454 
455  def show(self, *args):
456  r"""show(RotamerAngleTuple self, _ostream out=std::cout)"""
457  return _IMP_rotamer.RotamerAngleTuple_show(self, *args)
458 
459  def __str__(self):
460  r"""__str__(RotamerAngleTuple self) -> std::string"""
461  return _IMP_rotamer.RotamerAngleTuple___str__(self)
462 
463  def __repr__(self):
464  r"""__repr__(RotamerAngleTuple self) -> std::string"""
465  return _IMP_rotamer.RotamerAngleTuple___repr__(self)
466 
467  def _get_as_binary(self):
468  r"""_get_as_binary(RotamerAngleTuple self) -> PyObject *"""
469  return _IMP_rotamer.RotamerAngleTuple__get_as_binary(self)
470 
471  def _set_from_binary(self, p):
472  r"""_set_from_binary(RotamerAngleTuple self, PyObject * p)"""
473  return _IMP_rotamer.RotamerAngleTuple__set_from_binary(self, p)
474 
475  def __getstate__(self):
476  p = self._get_as_binary()
477  if len(self.__dict__) > 1:
478  d = self.__dict__.copy()
479  del d['this']
480  p = (d, p)
481  return p
482 
483  def __setstate__(self, p):
484  if not hasattr(self, 'this'):
485  self.__init__()
486  if isinstance(p, tuple):
487  d, p = p
488  self.__dict__.update(d)
489  return self._set_from_binary(p)
490 
491  __swig_destroy__ = _IMP_rotamer.delete_RotamerAngleTuple
492 
493 # Register RotamerAngleTuple in _IMP_rotamer:
494 _IMP_rotamer.RotamerAngleTuple_swigregister(RotamerAngleTuple)
495 class RotamerLibrary(IMP.Object):
496  r"""Proxy of C++ IMP::rotamer::RotamerLibrary class."""
497 
498  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
499 
500  def __init__(self, angle_step=10):
501  r"""__init__(RotamerLibrary self, unsigned int angle_step=10) -> RotamerLibrary"""
502  _IMP_rotamer.RotamerLibrary_swiginit(self, _IMP_rotamer.new_RotamerLibrary(angle_step))
503 
504  def get_rotamers(self, residue, phi, psi, probability_thr):
505  r"""get_rotamers(RotamerLibrary self, ResidueType residue, float phi, float psi, float probability_thr) -> IMP::rotamer::RotamerAngleTuples"""
506  return _IMP_rotamer.RotamerLibrary_get_rotamers(self, residue, phi, psi, probability_thr)
507 
508  def read_library_file(self, lib_file_name):
509  r"""read_library_file(RotamerLibrary self, std::string const & lib_file_name)"""
510  return _IMP_rotamer.RotamerLibrary_read_library_file(self, lib_file_name)
511 
512  def get_version_info(self):
513  r"""get_version_info(RotamerLibrary self) -> VersionInfo"""
514  return _IMP_rotamer.RotamerLibrary_get_version_info(self)
515  __swig_destroy__ = _IMP_rotamer.delete_RotamerLibrary
516 
517  def __str__(self):
518  r"""__str__(RotamerLibrary self) -> std::string"""
519  return _IMP_rotamer.RotamerLibrary___str__(self)
520 
521  def __repr__(self):
522  r"""__repr__(RotamerLibrary self) -> std::string"""
523  return _IMP_rotamer.RotamerLibrary___repr__(self)
524 
525  @staticmethod
526  def get_from(o):
527  return _object_cast_to_RotamerLibrary(o)
528 
529 
530 # Register RotamerLibrary in _IMP_rotamer:
531 _IMP_rotamer.RotamerLibrary_swigregister(RotamerLibrary)
532 class ResidueRotamer(object):
533  r"""Proxy of C++ IMP::rotamer::ResidueRotamer class."""
534 
535  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
536 
537  def __init__(self, *args):
538  r"""__init__(ResidueRotamer self, ResidueType rt=UNK) -> ResidueRotamer"""
539  _IMP_rotamer.ResidueRotamer_swiginit(self, _IMP_rotamer.new_ResidueRotamer(*args))
540 
541  def get_coordinates(self, index, at):
542  r"""get_coordinates(ResidueRotamer self, unsigned int index, AtomType at) -> Vector3D"""
543  return _IMP_rotamer.ResidueRotamer_get_coordinates(self, index, at)
544 
545  def get_number_of_cases(self, at):
546  r"""get_number_of_cases(ResidueRotamer self, AtomType at) -> unsigned int"""
547  return _IMP_rotamer.ResidueRotamer_get_number_of_cases(self, at)
548 
549  def get_atom_exists(self, at):
550  r"""get_atom_exists(ResidueRotamer self, AtomType at) -> bool"""
551  return _IMP_rotamer.ResidueRotamer_get_atom_exists(self, at)
552 
553  def get_size(self):
554  r"""get_size(ResidueRotamer self) -> unsigned int"""
555  return _IMP_rotamer.ResidueRotamer_get_size(self)
556 
557  def get_probability(self, index):
558  r"""get_probability(ResidueRotamer self, unsigned int index) -> double"""
559  return _IMP_rotamer.ResidueRotamer_get_probability(self, index)
560 
561  def show(self, *args):
562  r"""show(ResidueRotamer self, _ostream out=std::cout)"""
563  return _IMP_rotamer.ResidueRotamer_show(self, *args)
564 
565  def __str__(self):
566  r"""__str__(ResidueRotamer self) -> std::string"""
567  return _IMP_rotamer.ResidueRotamer___str__(self)
568 
569  def __repr__(self):
570  r"""__repr__(ResidueRotamer self) -> std::string"""
571  return _IMP_rotamer.ResidueRotamer___repr__(self)
572  __swig_destroy__ = _IMP_rotamer.delete_ResidueRotamer
573 
574 # Register ResidueRotamer in _IMP_rotamer:
575 _IMP_rotamer.ResidueRotamer_swigregister(ResidueRotamer)
576 class RotamerCalculator(IMP.Object):
577  r"""Proxy of C++ IMP::rotamer::RotamerCalculator class."""
578 
579  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
580 
581  def __init__(self, rl):
582  r"""__init__(RotamerCalculator self, RotamerLibrary rl) -> RotamerCalculator"""
583  _IMP_rotamer.RotamerCalculator_swiginit(self, _IMP_rotamer.new_RotamerCalculator(rl))
584 
585  def get_rotamer(self, rd, thr):
586  r"""get_rotamer(RotamerCalculator self, Residue rd, double thr) -> ResidueRotamer"""
587  return _IMP_rotamer.RotamerCalculator_get_rotamer(self, rd, thr)
588 
589  def get_version_info(self):
590  r"""get_version_info(RotamerCalculator self) -> VersionInfo"""
591  return _IMP_rotamer.RotamerCalculator_get_version_info(self)
592  __swig_destroy__ = _IMP_rotamer.delete_RotamerCalculator
593 
594  def transform(self, protein, score, thr, K, num_iter):
595  r"""transform(RotamerCalculator self, Hierarchy protein, PairScore score, double thr, double K, int num_iter)"""
596  return _IMP_rotamer.RotamerCalculator_transform(self, protein, score, thr, K, num_iter)
597 
598  def __str__(self):
599  r"""__str__(RotamerCalculator self) -> std::string"""
600  return _IMP_rotamer.RotamerCalculator___str__(self)
601 
602  def __repr__(self):
603  r"""__repr__(RotamerCalculator self) -> std::string"""
604  return _IMP_rotamer.RotamerCalculator___repr__(self)
605 
606  @staticmethod
607  def get_from(o):
608  return _object_cast_to_RotamerCalculator(o)
609 
610 
611 # Register RotamerCalculator in _IMP_rotamer:
612 _IMP_rotamer.RotamerCalculator_swigregister(RotamerCalculator)
613 
614 def get_module_name():
615  r"""get_module_name() -> std::string const"""
616  return _IMP_rotamer.get_module_name()
617 
618 def get_module_version():
619  r"""get_module_version() -> std::string const"""
620  return _IMP_rotamer.get_module_version()
621 
622 def get_example_path(fname):
623  r"""get_example_path(std::string fname) -> std::string"""
624  return _IMP_rotamer.get_example_path(fname)
625 
626 def get_data_path(fname):
627  r"""get_data_path(std::string fname) -> std::string"""
628  return _IMP_rotamer.get_data_path(fname)
629 
630 from . import _version_check
631 _version_check.check_version(get_module_version())
632 __version__ = get_module_version()
633 
634 
Various classes to hold sets of particles.
Make CGAL functionality available to IMP.
std::string get_data_path(std::string file_name)
Return the full path to one of this module's data files.
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.
Composable functors to implement scores via compile-time composition.
void transform(Hierarchy h, const algebra::Transformation3D &tr)
Transform a hierarchy. This is aware of rigid bodies.
Common base class for heavy weight IMP objects.
Definition: Object.h:111
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...
Output IMP model data in various file formats.
Functionality for loading, creating, manipulating and scoring atomic structures.