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IMP Reference Guide  develop.50fdd7fa33,2025/08/31
The Integrative Modeling Platform
rotamer/__init__.py
1 # This file was automatically generated by SWIG (https://www.swig.org).
2 # Version 4.3.1
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 2007-2025 IMP Inventors. All rights reserved.
10 
11 
12 
13 
14 from sys import version_info as _swig_python_version_info
15 import _IMP_rotamer
16 
17 try:
18  import builtins as __builtin__
19 except ImportError:
20  import __builtin__
21 
22 def _swig_repr(self):
23  try:
24  strthis = "proxy of " + self.this.__repr__()
25  except __builtin__.Exception:
26  strthis = ""
27  return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
28 
29 
30 def _swig_setattr_nondynamic_instance_variable(set):
31  def set_instance_attr(self, name, value):
32  if name == "this":
33  set(self, name, value)
34  elif name == "thisown":
35  self.this.own(value)
36  elif hasattr(self, name) and isinstance(getattr(type(self), name), property):
37  set(self, name, value)
38  else:
39  raise AttributeError("You cannot add instance attributes to %s" % self)
40  return set_instance_attr
41 
42 
43 def _swig_setattr_nondynamic_class_variable(set):
44  def set_class_attr(cls, name, value):
45  if hasattr(cls, name) and not isinstance(getattr(cls, name), property):
46  set(cls, name, value)
47  else:
48  raise AttributeError("You cannot add class attributes to %s" % cls)
49  return set_class_attr
50 
51 
52 def _swig_add_metaclass(metaclass):
53  """Class decorator for adding a metaclass to a SWIG wrapped class - a slimmed down version of six.add_metaclass"""
54  def wrapper(cls):
55  return metaclass(cls.__name__, cls.__bases__, cls.__dict__.copy())
56  return wrapper
57 
58 
59 class _SwigNonDynamicMeta(type):
60  """Meta class to enforce nondynamic attributes (no new attributes) for a class"""
61  __setattr__ = _swig_setattr_nondynamic_class_variable(type.__setattr__)
62 
63 
64 import weakref
65 
66 class IMP_ROTAMER_SwigPyIterator(object):
67  r"""Proxy of C++ swig::IMP_ROTAMER_SwigPyIterator class."""
68 
69  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
70 
71  def __init__(self, *args, **kwargs):
72  raise AttributeError("No constructor defined - class is abstract")
73  __repr__ = _swig_repr
74  __swig_destroy__ = _IMP_rotamer.delete_IMP_ROTAMER_SwigPyIterator
75 
76  def value(self):
77  r"""value(IMP_ROTAMER_SwigPyIterator self) -> PyObject *"""
78  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_value(self)
79 
80  def incr(self, n=1):
81  r"""incr(IMP_ROTAMER_SwigPyIterator self, size_t n=1) -> IMP_ROTAMER_SwigPyIterator"""
82  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_incr(self, n)
83 
84  def decr(self, n=1):
85  r"""decr(IMP_ROTAMER_SwigPyIterator self, size_t n=1) -> IMP_ROTAMER_SwigPyIterator"""
86  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_decr(self, n)
87 
88  def distance(self, x):
89  r"""distance(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> ptrdiff_t"""
90  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_distance(self, x)
91 
92  def equal(self, x):
93  r"""equal(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> bool"""
94  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_equal(self, x)
95 
96  def copy(self):
97  r"""copy(IMP_ROTAMER_SwigPyIterator self) -> IMP_ROTAMER_SwigPyIterator"""
98  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_copy(self)
99 
100  def next(self):
101  r"""next(IMP_ROTAMER_SwigPyIterator self) -> PyObject *"""
102  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_next(self)
103 
104  def __next__(self):
105  r"""__next__(IMP_ROTAMER_SwigPyIterator self) -> PyObject *"""
106  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___next__(self)
107 
108  def previous(self):
109  r"""previous(IMP_ROTAMER_SwigPyIterator self) -> PyObject *"""
110  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_previous(self)
111 
112  def advance(self, n):
113  r"""advance(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator"""
114  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_advance(self, n)
115 
116  def __eq__(self, x):
117  r"""__eq__(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> bool"""
118  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___eq__(self, x)
119 
120  def __ne__(self, x):
121  r"""__ne__(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> bool"""
122  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___ne__(self, x)
123 
124  def __iadd__(self, n):
125  r"""__iadd__(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator"""
126  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___iadd__(self, n)
127 
128  def __isub__(self, n):
129  r"""__isub__(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator"""
130  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___isub__(self, n)
131 
132  def __add__(self, n):
133  r"""__add__(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator"""
134  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___add__(self, n)
135 
136  def __sub__(self, *args):
137  r"""
138  __sub__(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator
139  __sub__(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> ptrdiff_t
140  """
141  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___sub__(self, *args)
142  def __iter__(self):
143  return self
144 
145 # Register IMP_ROTAMER_SwigPyIterator in _IMP_rotamer:
146 _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_swigregister(IMP_ROTAMER_SwigPyIterator)
147 
148 _value_types=[]
149 _object_types=[]
150 _raii_types=[]
151 _plural_types=[]
152 
153 IMP_DEBUG = _IMP_rotamer.IMP_DEBUG
154 
155 IMP_RELEASE = _IMP_rotamer.IMP_RELEASE
156 
157 IMP_SILENT = _IMP_rotamer.IMP_SILENT
158 
159 IMP_PROGRESS = _IMP_rotamer.IMP_PROGRESS
160 
161 IMP_TERSE = _IMP_rotamer.IMP_TERSE
162 
163 IMP_VERBOSE = _IMP_rotamer.IMP_VERBOSE
164 
165 IMP_MEMORY = _IMP_rotamer.IMP_MEMORY
166 
167 IMP_NONE = _IMP_rotamer.IMP_NONE
168 
169 IMP_USAGE = _IMP_rotamer.IMP_USAGE
170 
171 IMP_INTERNAL = _IMP_rotamer.IMP_INTERNAL
172 
173 IMP_KERNEL_HAS_LOG4CXX = _IMP_rotamer.IMP_KERNEL_HAS_LOG4CXX
174 
175 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_rotamer.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
176 
177 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_rotamer.IMP_COMPILER_HAS_DEBUG_VECTOR
178 
179 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_rotamer.IMP_COMPILER_HAS_RANDOM_SHUFFLE
180 
181 IMP_COMPILER_HAS_THREE_WAY = _IMP_rotamer.IMP_COMPILER_HAS_THREE_WAY
182 
183 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_KERNEL_HAS_BOOST_RANDOM
184 
185 IMP_KERNEL_HAS_NUMPY = _IMP_rotamer.IMP_KERNEL_HAS_NUMPY
186 
187 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_rotamer.IMP_KERNEL_HAS_BOOST_SYSTEM
188 
189 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_rotamer.IMP_KERNEL_HAS_GPERFTOOLS
190 
191 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_rotamer.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
192 
193 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_rotamer.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
194 
195 IMPKERNEL_SHOW_WARNINGS = _IMP_rotamer.IMPKERNEL_SHOW_WARNINGS
196 
197 
198 import sys
199 class _DirectorObjects:
200  """@internal Simple class to keep references to director objects
201  to prevent premature deletion."""
202  def __init__(self):
203  self._objects = []
204  def register(self, obj):
205  """Take a reference to a director object; will only work for
206  refcounted C++ classes"""
207  if hasattr(obj, 'get_ref_count'):
208  self._objects.append(obj)
209  def cleanup(self):
210  """Only drop our reference and allow cleanup by Python if no other
211  Python references exist (we hold 3 references: one in self._objects,
212  one in x, and one in the argument list for getrefcount) *and* no
213  other C++ references exist (the Python object always holds one)"""
214  objs = [x for x in self._objects if sys.getrefcount(x) > 3 \
215  or x.get_ref_count() > 1]
216 # Do in two steps so the references are kept until the end of the
217 # function (deleting references may trigger a fresh call to this method)
218  self._objects = objs
219  def get_object_count(self):
220  """Get number of director objects (useful for testing only)"""
221  return len(self._objects)
222 _director_objects = _DirectorObjects()
223 
224 class _ostream(object):
225  r"""Proxy of C++ std::ostream class."""
226 
227  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
228 
229  def __init__(self, *args, **kwargs):
230  raise AttributeError("No constructor defined")
231  __repr__ = _swig_repr
232 
233  def write(self, osa_buf):
234  r"""write(_ostream self, char const * osa_buf)"""
235  return _IMP_rotamer._ostream_write(self, osa_buf)
236 
237 # Register _ostream in _IMP_rotamer:
238 _IMP_rotamer._ostream_swigregister(_ostream)
239 IMP_C_OPEN_BINARY = _IMP_rotamer.IMP_C_OPEN_BINARY
240 
241 import IMP
242 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_CGAL_HAS_BOOST_FILESYSTEM
243 
244 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
245 
246 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_CGAL_HAS_BOOST_RANDOM
247 
248 IMP_CGAL_HAS_NUMPY = _IMP_rotamer.IMP_CGAL_HAS_NUMPY
249 
250 IMPCGAL_SHOW_WARNINGS = _IMP_rotamer.IMPCGAL_SHOW_WARNINGS
251 
252 import IMP.cgal
253 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_rotamer.IMP_ALGEBRA_HAS_IMP_CGAL
254 
255 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
256 
257 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
258 
259 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_ALGEBRA_HAS_BOOST_RANDOM
260 
261 IMP_ALGEBRA_HAS_CGAL = _IMP_rotamer.IMP_ALGEBRA_HAS_CGAL
262 
263 IMP_ALGEBRA_HAS_NUMPY = _IMP_rotamer.IMP_ALGEBRA_HAS_NUMPY
264 
265 IMP_ALGEBRA_HAS_ANN = _IMP_rotamer.IMP_ALGEBRA_HAS_ANN
266 
267 IMPALGEBRA_SHOW_WARNINGS = _IMP_rotamer.IMPALGEBRA_SHOW_WARNINGS
268 
269 import IMP.algebra
270 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_rotamer.IMP_DISPLAY_HAS_IMP_CGAL
271 
272 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
273 
274 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
275 
276 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_DISPLAY_HAS_BOOST_RANDOM
277 
278 IMP_DISPLAY_HAS_CGAL = _IMP_rotamer.IMP_DISPLAY_HAS_CGAL
279 
280 IMP_DISPLAY_HAS_NUMPY = _IMP_rotamer.IMP_DISPLAY_HAS_NUMPY
281 
282 IMPDISPLAY_SHOW_WARNINGS = _IMP_rotamer.IMPDISPLAY_SHOW_WARNINGS
283 
284 import IMP.display
285 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
286 
287 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
288 
289 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
290 
291 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
292 
293 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_CGAL
294 
295 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_HDF5
296 
297 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_NUMPY
298 
299 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_rotamer.IMPSCOREFUNCTOR_SHOW_WARNINGS
300 
301 import IMP.score_functor
302 IMP_CORE_HAS_IMP_CGAL = _IMP_rotamer.IMP_CORE_HAS_IMP_CGAL
303 
304 IMP_CORE_HAS_IMP_KERNEL = _IMP_rotamer.IMP_CORE_HAS_IMP_KERNEL
305 
306 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_CORE_HAS_BOOST_FILESYSTEM
307 
308 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
309 
310 IMP_CORE_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_CORE_HAS_BOOST_RANDOM
311 
312 IMP_CORE_HAS_CGAL = _IMP_rotamer.IMP_CORE_HAS_CGAL
313 
314 IMP_CORE_HAS_HDF5 = _IMP_rotamer.IMP_CORE_HAS_HDF5
315 
316 IMP_CORE_HAS_NUMPY = _IMP_rotamer.IMP_CORE_HAS_NUMPY
317 
318 IMPCORE_SHOW_WARNINGS = _IMP_rotamer.IMPCORE_SHOW_WARNINGS
319 
320 import IMP.core
321 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_ALGEBRA
322 
323 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_CGAL
324 
325 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_DISPLAY
326 
327 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_KERNEL
328 
329 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
330 
331 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
332 
333 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
334 
335 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_CONTAINER_HAS_BOOST_RANDOM
336 
337 IMP_CONTAINER_HAS_CGAL = _IMP_rotamer.IMP_CONTAINER_HAS_CGAL
338 
339 IMP_CONTAINER_HAS_HDF5 = _IMP_rotamer.IMP_CONTAINER_HAS_HDF5
340 
341 IMP_CONTAINER_HAS_NUMPY = _IMP_rotamer.IMP_CONTAINER_HAS_NUMPY
342 
343 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_rotamer.IMP_CONTAINER_HAS_PYTHON_IHM
344 
345 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_rotamer.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
346 
347 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_rotamer.IMP_CONTAINER_HAS_ROBIN_MAP
348 
349 IMPCONTAINER_SHOW_WARNINGS = _IMP_rotamer.IMPCONTAINER_SHOW_WARNINGS
350 
351 import IMP.container
352 IMP_ATOM_HAS_IMP_CGAL = _IMP_rotamer.IMP_ATOM_HAS_IMP_CGAL
353 
354 IMP_ATOM_HAS_IMP_KERNEL = _IMP_rotamer.IMP_ATOM_HAS_IMP_KERNEL
355 
356 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_rotamer.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
357 
358 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
359 
360 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_ATOM_HAS_BOOST_RANDOM
361 
362 IMP_ATOM_HAS_BOOST_REGEX = _IMP_rotamer.IMP_ATOM_HAS_BOOST_REGEX
363 
364 IMP_ATOM_HAS_CGAL = _IMP_rotamer.IMP_ATOM_HAS_CGAL
365 
366 IMP_ATOM_HAS_HDF5 = _IMP_rotamer.IMP_ATOM_HAS_HDF5
367 
368 IMP_ATOM_HAS_NUMPY = _IMP_rotamer.IMP_ATOM_HAS_NUMPY
369 
370 IMP_ATOM_HAS_PYTHON_IHM = _IMP_rotamer.IMP_ATOM_HAS_PYTHON_IHM
371 
372 IMPATOM_SHOW_WARNINGS = _IMP_rotamer.IMPATOM_SHOW_WARNINGS
373 
374 IMP_ATOM_TYPE_INDEX = _IMP_rotamer.IMP_ATOM_TYPE_INDEX
375 
376 IMP_RESIDUE_TYPE_INDEX = _IMP_rotamer.IMP_RESIDUE_TYPE_INDEX
377 
378 IMP_HIERARCHY_TYPE_INDEX = _IMP_rotamer.IMP_HIERARCHY_TYPE_INDEX
379 
380 IMP_CHAIN_TYPE_INDEX = _IMP_rotamer.IMP_CHAIN_TYPE_INDEX
381 
382 import IMP.atom
383 IMP_ROTAMER_HAS_IMP_ALGEBRA = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_ALGEBRA
384 
385 IMP_ROTAMER_HAS_IMP_CGAL = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_CGAL
386 
387 IMP_ROTAMER_HAS_IMP_CONTAINER = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_CONTAINER
388 
389 IMP_ROTAMER_HAS_IMP_DISPLAY = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_DISPLAY
390 
391 IMP_ROTAMER_HAS_IMP_KERNEL = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_KERNEL
392 
393 IMP_ROTAMER_HAS_IMP_SCORE_FUNCTOR = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_SCORE_FUNCTOR
394 
395 IMP_ROTAMER_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_FILESYSTEM
396 
397 IMP_ROTAMER_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_PROGRAMOPTIONS
398 
399 IMP_ROTAMER_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_RANDOM
400 
401 IMP_ROTAMER_HAS_BOOST_REGEX = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_REGEX
402 
403 IMP_ROTAMER_HAS_CGAL = _IMP_rotamer.IMP_ROTAMER_HAS_CGAL
404 
405 IMP_ROTAMER_HAS_HDF5 = _IMP_rotamer.IMP_ROTAMER_HAS_HDF5
406 
407 IMP_ROTAMER_HAS_NUMPY = _IMP_rotamer.IMP_ROTAMER_HAS_NUMPY
408 
409 IMP_ROTAMER_HAS_PYTHON_IHM = _IMP_rotamer.IMP_ROTAMER_HAS_PYTHON_IHM
410 
411 IMPROTAMER_SHOW_WARNINGS = _IMP_rotamer.IMPROTAMER_SHOW_WARNINGS
412 
413 
414 RotamerAngleTuples=list
415 _plural_types.append("RotamerAngleTuples")
416 _value_types.append("RotamerAngleTuple")
417 
418 
419 ResidueRotamers=list
420 _plural_types.append("ResidueRotamers")
421 _value_types.append("ResidueRotamer")
422 
423 
424 _object_types.append("RotamerLibrary")
425 
426 
427 def _object_cast_to_RotamerLibrary(o):
428  r"""_object_cast_to_RotamerLibrary(Object o) -> RotamerLibrary"""
429  return _IMP_rotamer._object_cast_to_RotamerLibrary(o)
430 
431 _object_types.append("RotamerCalculator")
432 
433 
434 def _object_cast_to_RotamerCalculator(o):
435  r"""_object_cast_to_RotamerCalculator(Object o) -> RotamerCalculator"""
436  return _IMP_rotamer._object_cast_to_RotamerCalculator(o)
437 class RotamerAngleTuple(object):
438  r"""Proxy of C++ IMP::rotamer::RotamerAngleTuple class."""
439 
440  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
441 
442  def __init__(self, *args):
443  r"""
444  __init__(RotamerAngleTuple self) -> RotamerAngleTuple
445  __init__(RotamerAngleTuple self, float chi1, float chi2, float chi3, float chi4, float probability) -> RotamerAngleTuple
446  """
447  _IMP_rotamer.RotamerAngleTuple_swiginit(self, _IMP_rotamer.new_RotamerAngleTuple(*args))
448 
449  def get_chi1(self):
450  r"""get_chi1(RotamerAngleTuple self) -> float"""
451  return _IMP_rotamer.RotamerAngleTuple_get_chi1(self)
452 
453  def get_chi2(self):
454  r"""get_chi2(RotamerAngleTuple self) -> float"""
455  return _IMP_rotamer.RotamerAngleTuple_get_chi2(self)
456 
457  def get_chi3(self):
458  r"""get_chi3(RotamerAngleTuple self) -> float"""
459  return _IMP_rotamer.RotamerAngleTuple_get_chi3(self)
460 
461  def get_chi4(self):
462  r"""get_chi4(RotamerAngleTuple self) -> float"""
463  return _IMP_rotamer.RotamerAngleTuple_get_chi4(self)
464 
465  def get_probability(self):
466  r"""get_probability(RotamerAngleTuple self) -> float"""
467  return _IMP_rotamer.RotamerAngleTuple_get_probability(self)
468 
469  def show(self, *args):
470  r"""show(RotamerAngleTuple self, _ostream out=std::cout)"""
471  return _IMP_rotamer.RotamerAngleTuple_show(self, *args)
472 
473  def __str__(self):
474  r"""__str__(RotamerAngleTuple self) -> std::string"""
475  return _IMP_rotamer.RotamerAngleTuple___str__(self)
476 
477  def __repr__(self):
478  r"""__repr__(RotamerAngleTuple self) -> std::string"""
479  return _IMP_rotamer.RotamerAngleTuple___repr__(self)
480 
481  def _get_as_binary(self):
482  r"""_get_as_binary(RotamerAngleTuple self) -> PyObject *"""
483  return _IMP_rotamer.RotamerAngleTuple__get_as_binary(self)
484 
485  def _set_from_binary(self, p):
486  r"""_set_from_binary(RotamerAngleTuple self, PyObject * p)"""
487  return _IMP_rotamer.RotamerAngleTuple__set_from_binary(self, p)
488 
489  def __getstate__(self):
490  p = self._get_as_binary()
491  if len(self.__dict__) > 1:
492  d = self.__dict__.copy()
493  del d['this']
494  p = (d, p)
495  return p
496 
497  def __setstate__(self, p):
498  if not hasattr(self, 'this'):
499  self.__init__()
500  if isinstance(p, tuple):
501  d, p = p
502  self.__dict__.update(d)
503  return self._set_from_binary(p)
504 
505  __swig_destroy__ = _IMP_rotamer.delete_RotamerAngleTuple
506 
507 # Register RotamerAngleTuple in _IMP_rotamer:
508 _IMP_rotamer.RotamerAngleTuple_swigregister(RotamerAngleTuple)
509 class RotamerLibrary(IMP.Object):
510  r"""Proxy of C++ IMP::rotamer::RotamerLibrary class."""
511 
512  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
513 
514  def __init__(self, angle_step=10):
515  r"""__init__(RotamerLibrary self, unsigned int angle_step=10) -> RotamerLibrary"""
516  _IMP_rotamer.RotamerLibrary_swiginit(self, _IMP_rotamer.new_RotamerLibrary(angle_step))
517 
518  def get_rotamers(self, residue, phi, psi, probability_thr):
519  r"""get_rotamers(RotamerLibrary self, ResidueType residue, float phi, float psi, float probability_thr) -> IMP::rotamer::RotamerAngleTuples"""
520  return _IMP_rotamer.RotamerLibrary_get_rotamers(self, residue, phi, psi, probability_thr)
521 
522  def read_library_file(self, lib_file_name):
523  r"""read_library_file(RotamerLibrary self, std::string const & lib_file_name)"""
524  return _IMP_rotamer.RotamerLibrary_read_library_file(self, lib_file_name)
525 
526  def get_version_info(self):
527  r"""get_version_info(RotamerLibrary self) -> VersionInfo"""
528  return _IMP_rotamer.RotamerLibrary_get_version_info(self)
529  __swig_destroy__ = _IMP_rotamer.delete_RotamerLibrary
530 
531  def __str__(self):
532  r"""__str__(RotamerLibrary self) -> std::string"""
533  return _IMP_rotamer.RotamerLibrary___str__(self)
534 
535  def __repr__(self):
536  r"""__repr__(RotamerLibrary self) -> std::string"""
537  return _IMP_rotamer.RotamerLibrary___repr__(self)
538 
539  @staticmethod
540  def get_from(o):
541  return _object_cast_to_RotamerLibrary(o)
542 
543 
544 # Register RotamerLibrary in _IMP_rotamer:
545 _IMP_rotamer.RotamerLibrary_swigregister(RotamerLibrary)
546 class ResidueRotamer(object):
547  r"""Proxy of C++ IMP::rotamer::ResidueRotamer class."""
548 
549  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
550 
551  def __init__(self, *args):
552  r"""__init__(ResidueRotamer self, ResidueType rt=UNK) -> ResidueRotamer"""
553  _IMP_rotamer.ResidueRotamer_swiginit(self, _IMP_rotamer.new_ResidueRotamer(*args))
554 
555  def get_coordinates(self, index, at):
556  r"""get_coordinates(ResidueRotamer self, unsigned int index, AtomType at) -> Vector3D"""
557  return _IMP_rotamer.ResidueRotamer_get_coordinates(self, index, at)
558 
559  def get_number_of_cases(self, at):
560  r"""get_number_of_cases(ResidueRotamer self, AtomType at) -> unsigned int"""
561  return _IMP_rotamer.ResidueRotamer_get_number_of_cases(self, at)
562 
563  def get_atom_exists(self, at):
564  r"""get_atom_exists(ResidueRotamer self, AtomType at) -> bool"""
565  return _IMP_rotamer.ResidueRotamer_get_atom_exists(self, at)
566 
567  def get_size(self):
568  r"""get_size(ResidueRotamer self) -> unsigned int"""
569  return _IMP_rotamer.ResidueRotamer_get_size(self)
570 
571  def get_probability(self, index):
572  r"""get_probability(ResidueRotamer self, unsigned int index) -> double"""
573  return _IMP_rotamer.ResidueRotamer_get_probability(self, index)
574 
575  def show(self, *args):
576  r"""show(ResidueRotamer self, _ostream out=std::cout)"""
577  return _IMP_rotamer.ResidueRotamer_show(self, *args)
578 
579  def __str__(self):
580  r"""__str__(ResidueRotamer self) -> std::string"""
581  return _IMP_rotamer.ResidueRotamer___str__(self)
582 
583  def __repr__(self):
584  r"""__repr__(ResidueRotamer self) -> std::string"""
585  return _IMP_rotamer.ResidueRotamer___repr__(self)
586  __swig_destroy__ = _IMP_rotamer.delete_ResidueRotamer
587 
588 # Register ResidueRotamer in _IMP_rotamer:
589 _IMP_rotamer.ResidueRotamer_swigregister(ResidueRotamer)
590 class RotamerCalculator(IMP.Object):
591  r"""Proxy of C++ IMP::rotamer::RotamerCalculator class."""
592 
593  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
594 
595  def __init__(self, rl):
596  r"""__init__(RotamerCalculator self, RotamerLibrary rl) -> RotamerCalculator"""
597  _IMP_rotamer.RotamerCalculator_swiginit(self, _IMP_rotamer.new_RotamerCalculator(rl))
598 
599  def get_rotamer(self, rd, thr):
600  r"""get_rotamer(RotamerCalculator self, Residue rd, double thr) -> ResidueRotamer"""
601  return _IMP_rotamer.RotamerCalculator_get_rotamer(self, rd, thr)
602 
603  def get_version_info(self):
604  r"""get_version_info(RotamerCalculator self) -> VersionInfo"""
605  return _IMP_rotamer.RotamerCalculator_get_version_info(self)
606  __swig_destroy__ = _IMP_rotamer.delete_RotamerCalculator
607 
608  def transform(self, protein, score, thr, K, num_iter):
609  r"""transform(RotamerCalculator self, Hierarchy protein, PairScore score, double thr, double K, int num_iter)"""
610  return _IMP_rotamer.RotamerCalculator_transform(self, protein, score, thr, K, num_iter)
611 
612  def __str__(self):
613  r"""__str__(RotamerCalculator self) -> std::string"""
614  return _IMP_rotamer.RotamerCalculator___str__(self)
615 
616  def __repr__(self):
617  r"""__repr__(RotamerCalculator self) -> std::string"""
618  return _IMP_rotamer.RotamerCalculator___repr__(self)
619 
620  @staticmethod
621  def get_from(o):
622  return _object_cast_to_RotamerCalculator(o)
623 
624 
625 # Register RotamerCalculator in _IMP_rotamer:
626 _IMP_rotamer.RotamerCalculator_swigregister(RotamerCalculator)
627 
628 def get_module_name():
629  r"""get_module_name() -> std::string const"""
630  return _IMP_rotamer.get_module_name()
631 
632 def get_module_version():
633  r"""get_module_version() -> std::string const"""
634  return _IMP_rotamer.get_module_version()
635 
636 def get_example_path(fname):
637  r"""get_example_path(std::string fname) -> std::string"""
638  return _IMP_rotamer.get_example_path(fname)
639 
640 def get_data_path(fname):
641  r"""get_data_path(std::string fname) -> std::string"""
642  return _IMP_rotamer.get_data_path(fname)
643 
644 from . import _version_check
645 _version_check.check_version(get_module_version())
646 __version__ = get_module_version()
647 
648 
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.