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IMP Reference Guide  2.19.0
The Integrative Modeling Platform
rotamer/__init__.py
1 # This file was automatically generated by SWIG (https://www.swig.org).
2 # Version 4.1.1
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 2007-2023 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_rotamer
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_ROTAMER_SwigPyIterator(object):
68  r"""Proxy of C++ swig::IMP_ROTAMER_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_rotamer.delete_IMP_ROTAMER_SwigPyIterator
76 
77  def value(self):
78  r"""value(IMP_ROTAMER_SwigPyIterator self) -> PyObject *"""
79  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_value(self)
80 
81  def incr(self, n=1):
82  r"""incr(IMP_ROTAMER_SwigPyIterator self, size_t n=1) -> IMP_ROTAMER_SwigPyIterator"""
83  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_incr(self, n)
84 
85  def decr(self, n=1):
86  r"""decr(IMP_ROTAMER_SwigPyIterator self, size_t n=1) -> IMP_ROTAMER_SwigPyIterator"""
87  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_decr(self, n)
88 
89  def distance(self, x):
90  r"""distance(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> ptrdiff_t"""
91  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_distance(self, x)
92 
93  def equal(self, x):
94  r"""equal(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> bool"""
95  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_equal(self, x)
96 
97  def copy(self):
98  r"""copy(IMP_ROTAMER_SwigPyIterator self) -> IMP_ROTAMER_SwigPyIterator"""
99  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_copy(self)
100 
101  def next(self):
102  r"""next(IMP_ROTAMER_SwigPyIterator self) -> PyObject *"""
103  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_next(self)
104 
105  def __next__(self):
106  r"""__next__(IMP_ROTAMER_SwigPyIterator self) -> PyObject *"""
107  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___next__(self)
108 
109  def previous(self):
110  r"""previous(IMP_ROTAMER_SwigPyIterator self) -> PyObject *"""
111  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_previous(self)
112 
113  def advance(self, n):
114  r"""advance(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator"""
115  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_advance(self, n)
116 
117  def __eq__(self, x):
118  r"""__eq__(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> bool"""
119  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___eq__(self, x)
120 
121  def __ne__(self, x):
122  r"""__ne__(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> bool"""
123  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___ne__(self, x)
124 
125  def __iadd__(self, n):
126  r"""__iadd__(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator"""
127  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___iadd__(self, n)
128 
129  def __isub__(self, n):
130  r"""__isub__(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator"""
131  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___isub__(self, n)
132 
133  def __add__(self, n):
134  r"""__add__(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator"""
135  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___add__(self, n)
136 
137  def __sub__(self, *args):
138  r"""
139  __sub__(IMP_ROTAMER_SwigPyIterator self, ptrdiff_t n) -> IMP_ROTAMER_SwigPyIterator
140  __sub__(IMP_ROTAMER_SwigPyIterator self, IMP_ROTAMER_SwigPyIterator x) -> ptrdiff_t
141  """
142  return _IMP_rotamer.IMP_ROTAMER_SwigPyIterator___sub__(self, *args)
143  def __iter__(self):
144  return self
145 
146 # Register IMP_ROTAMER_SwigPyIterator in _IMP_rotamer:
147 _IMP_rotamer.IMP_ROTAMER_SwigPyIterator_swigregister(IMP_ROTAMER_SwigPyIterator)
148 
149 _value_types=[]
150 _object_types=[]
151 _raii_types=[]
152 _plural_types=[]
153 
154 IMP_DEBUG = _IMP_rotamer.IMP_DEBUG
155 
156 IMP_RELEASE = _IMP_rotamer.IMP_RELEASE
157 
158 IMP_SILENT = _IMP_rotamer.IMP_SILENT
159 
160 IMP_PROGRESS = _IMP_rotamer.IMP_PROGRESS
161 
162 IMP_TERSE = _IMP_rotamer.IMP_TERSE
163 
164 IMP_VERBOSE = _IMP_rotamer.IMP_VERBOSE
165 
166 IMP_MEMORY = _IMP_rotamer.IMP_MEMORY
167 
168 IMP_NONE = _IMP_rotamer.IMP_NONE
169 
170 IMP_USAGE = _IMP_rotamer.IMP_USAGE
171 
172 IMP_INTERNAL = _IMP_rotamer.IMP_INTERNAL
173 
174 IMP_KERNEL_HAS_LOG4CXX = _IMP_rotamer.IMP_KERNEL_HAS_LOG4CXX
175 
176 IMP_COMPILER_HAS_CEREAL_RAW_POINTER = _IMP_rotamer.IMP_COMPILER_HAS_CEREAL_RAW_POINTER
177 
178 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_rotamer.IMP_COMPILER_HAS_DEBUG_VECTOR
179 
180 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_rotamer.IMP_COMPILER_HAS_RANDOM_SHUFFLE
181 
182 IMP_COMPILER_HAS_THREE_WAY = _IMP_rotamer.IMP_COMPILER_HAS_THREE_WAY
183 
184 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_KERNEL_HAS_BOOST_RANDOM
185 
186 IMP_KERNEL_HAS_NUMPY = _IMP_rotamer.IMP_KERNEL_HAS_NUMPY
187 
188 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_rotamer.IMP_KERNEL_HAS_GPERFTOOLS
189 
190 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_rotamer.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
191 
192 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_rotamer.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
193 
194 IMPKERNEL_SHOW_WARNINGS = _IMP_rotamer.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_rotamer._ostream_write(self, osa_buf)
235 
236 # Register _ostream in _IMP_rotamer:
237 _IMP_rotamer._ostream_swigregister(_ostream)
238 IMP_C_OPEN_BINARY = _IMP_rotamer.IMP_C_OPEN_BINARY
239 
240 import IMP
241 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_CGAL_HAS_BOOST_FILESYSTEM
242 
243 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
244 
245 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_CGAL_HAS_BOOST_RANDOM
246 
247 IMP_CGAL_HAS_BOOST_SYSTEM = _IMP_rotamer.IMP_CGAL_HAS_BOOST_SYSTEM
248 
249 IMP_CGAL_HAS_NUMPY = _IMP_rotamer.IMP_CGAL_HAS_NUMPY
250 
251 IMPCGAL_SHOW_WARNINGS = _IMP_rotamer.IMPCGAL_SHOW_WARNINGS
252 
253 import IMP.cgal
254 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_rotamer.IMP_ALGEBRA_HAS_IMP_CGAL
255 
256 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
257 
258 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
259 
260 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_ALGEBRA_HAS_BOOST_RANDOM
261 
262 IMP_ALGEBRA_HAS_BOOST_SYSTEM = _IMP_rotamer.IMP_ALGEBRA_HAS_BOOST_SYSTEM
263 
264 IMP_ALGEBRA_HAS_CGAL = _IMP_rotamer.IMP_ALGEBRA_HAS_CGAL
265 
266 IMP_ALGEBRA_HAS_NUMPY = _IMP_rotamer.IMP_ALGEBRA_HAS_NUMPY
267 
268 IMP_ALGEBRA_HAS_ANN = _IMP_rotamer.IMP_ALGEBRA_HAS_ANN
269 
270 IMPALGEBRA_SHOW_WARNINGS = _IMP_rotamer.IMPALGEBRA_SHOW_WARNINGS
271 
272 import IMP.algebra
273 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_rotamer.IMP_DISPLAY_HAS_IMP_CGAL
274 
275 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
276 
277 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
278 
279 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_DISPLAY_HAS_BOOST_RANDOM
280 
281 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_rotamer.IMP_DISPLAY_HAS_BOOST_SYSTEM
282 
283 IMP_DISPLAY_HAS_CGAL = _IMP_rotamer.IMP_DISPLAY_HAS_CGAL
284 
285 IMP_DISPLAY_HAS_NUMPY = _IMP_rotamer.IMP_DISPLAY_HAS_NUMPY
286 
287 IMPDISPLAY_SHOW_WARNINGS = _IMP_rotamer.IMPDISPLAY_SHOW_WARNINGS
288 
289 import IMP.display
290 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
291 
292 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
293 
294 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
295 
296 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
297 
298 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
299 
300 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_CGAL
301 
302 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_HDF5
303 
304 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_NUMPY
305 
306 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_rotamer.IMPSCOREFUNCTOR_SHOW_WARNINGS
307 
308 import IMP.score_functor
309 IMP_CORE_HAS_IMP_CGAL = _IMP_rotamer.IMP_CORE_HAS_IMP_CGAL
310 
311 IMP_CORE_HAS_IMP_KERNEL = _IMP_rotamer.IMP_CORE_HAS_IMP_KERNEL
312 
313 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_CORE_HAS_BOOST_FILESYSTEM
314 
315 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
316 
317 IMP_CORE_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_CORE_HAS_BOOST_RANDOM
318 
319 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_rotamer.IMP_CORE_HAS_BOOST_SYSTEM
320 
321 IMP_CORE_HAS_CGAL = _IMP_rotamer.IMP_CORE_HAS_CGAL
322 
323 IMP_CORE_HAS_HDF5 = _IMP_rotamer.IMP_CORE_HAS_HDF5
324 
325 IMP_CORE_HAS_NUMPY = _IMP_rotamer.IMP_CORE_HAS_NUMPY
326 
327 IMPCORE_SHOW_WARNINGS = _IMP_rotamer.IMPCORE_SHOW_WARNINGS
328 
329 import IMP.core
330 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_ALGEBRA
331 
332 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_CGAL
333 
334 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_DISPLAY
335 
336 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_KERNEL
337 
338 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
339 
340 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
341 
342 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
343 
344 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_CONTAINER_HAS_BOOST_RANDOM
345 
346 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_rotamer.IMP_CONTAINER_HAS_BOOST_SYSTEM
347 
348 IMP_CONTAINER_HAS_CGAL = _IMP_rotamer.IMP_CONTAINER_HAS_CGAL
349 
350 IMP_CONTAINER_HAS_HDF5 = _IMP_rotamer.IMP_CONTAINER_HAS_HDF5
351 
352 IMP_CONTAINER_HAS_NUMPY = _IMP_rotamer.IMP_CONTAINER_HAS_NUMPY
353 
354 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_rotamer.IMP_CONTAINER_HAS_PYTHON_IHM
355 
356 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_rotamer.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
357 
358 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_rotamer.IMP_CONTAINER_HAS_ROBIN_MAP
359 
360 IMPCONTAINER_SHOW_WARNINGS = _IMP_rotamer.IMPCONTAINER_SHOW_WARNINGS
361 
362 import IMP.container
363 IMP_ATOM_HAS_IMP_CGAL = _IMP_rotamer.IMP_ATOM_HAS_IMP_CGAL
364 
365 IMP_ATOM_HAS_IMP_KERNEL = _IMP_rotamer.IMP_ATOM_HAS_IMP_KERNEL
366 
367 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_rotamer.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
368 
369 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
370 
371 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_ATOM_HAS_BOOST_RANDOM
372 
373 IMP_ATOM_HAS_BOOST_REGEX = _IMP_rotamer.IMP_ATOM_HAS_BOOST_REGEX
374 
375 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_rotamer.IMP_ATOM_HAS_BOOST_SYSTEM
376 
377 IMP_ATOM_HAS_CGAL = _IMP_rotamer.IMP_ATOM_HAS_CGAL
378 
379 IMP_ATOM_HAS_HDF5 = _IMP_rotamer.IMP_ATOM_HAS_HDF5
380 
381 IMP_ATOM_HAS_NUMPY = _IMP_rotamer.IMP_ATOM_HAS_NUMPY
382 
383 IMP_ATOM_HAS_PYTHON_IHM = _IMP_rotamer.IMP_ATOM_HAS_PYTHON_IHM
384 
385 IMPATOM_SHOW_WARNINGS = _IMP_rotamer.IMPATOM_SHOW_WARNINGS
386 
387 IMP_ATOM_TYPE_INDEX = _IMP_rotamer.IMP_ATOM_TYPE_INDEX
388 
389 IMP_RESIDUE_TYPE_INDEX = _IMP_rotamer.IMP_RESIDUE_TYPE_INDEX
390 
391 IMP_HIERARCHY_TYPE_INDEX = _IMP_rotamer.IMP_HIERARCHY_TYPE_INDEX
392 
393 IMP_CHAIN_TYPE_INDEX = _IMP_rotamer.IMP_CHAIN_TYPE_INDEX
394 
395 import IMP.atom
396 IMP_ROTAMER_HAS_IMP_ALGEBRA = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_ALGEBRA
397 
398 IMP_ROTAMER_HAS_IMP_CGAL = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_CGAL
399 
400 IMP_ROTAMER_HAS_IMP_CONTAINER = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_CONTAINER
401 
402 IMP_ROTAMER_HAS_IMP_DISPLAY = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_DISPLAY
403 
404 IMP_ROTAMER_HAS_IMP_KERNEL = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_KERNEL
405 
406 IMP_ROTAMER_HAS_IMP_SCORE_FUNCTOR = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_SCORE_FUNCTOR
407 
408 IMP_ROTAMER_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_FILESYSTEM
409 
410 IMP_ROTAMER_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_PROGRAMOPTIONS
411 
412 IMP_ROTAMER_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_RANDOM
413 
414 IMP_ROTAMER_HAS_BOOST_REGEX = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_REGEX
415 
416 IMP_ROTAMER_HAS_BOOST_SYSTEM = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_SYSTEM
417 
418 IMP_ROTAMER_HAS_CGAL = _IMP_rotamer.IMP_ROTAMER_HAS_CGAL
419 
420 IMP_ROTAMER_HAS_HDF5 = _IMP_rotamer.IMP_ROTAMER_HAS_HDF5
421 
422 IMP_ROTAMER_HAS_NUMPY = _IMP_rotamer.IMP_ROTAMER_HAS_NUMPY
423 
424 IMP_ROTAMER_HAS_PYTHON_IHM = _IMP_rotamer.IMP_ROTAMER_HAS_PYTHON_IHM
425 
426 IMPROTAMER_SHOW_WARNINGS = _IMP_rotamer.IMPROTAMER_SHOW_WARNINGS
427 
428 
429 RotamerAngleTuples=list
430 _plural_types.append("RotamerAngleTuples")
431 _value_types.append("RotamerAngleTuple")
432 
433 
434 ResidueRotamers=list
435 _plural_types.append("ResidueRotamers")
436 _value_types.append("ResidueRotamer")
437 
438 
439 _object_types.append("RotamerLibrary")
440 
441 
442 def _object_cast_to_RotamerLibrary(o):
443  r"""_object_cast_to_RotamerLibrary(Object o) -> RotamerLibrary"""
444  return _IMP_rotamer._object_cast_to_RotamerLibrary(o)
445 
446 _object_types.append("RotamerCalculator")
447 
448 
449 def _object_cast_to_RotamerCalculator(o):
450  r"""_object_cast_to_RotamerCalculator(Object o) -> RotamerCalculator"""
451  return _IMP_rotamer._object_cast_to_RotamerCalculator(o)
452 class RotamerAngleTuple(object):
453  r"""Proxy of C++ IMP::rotamer::RotamerAngleTuple class."""
454 
455  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
456 
457  def __init__(self, *args):
458  r"""
459  __init__(RotamerAngleTuple self) -> RotamerAngleTuple
460  __init__(RotamerAngleTuple self, float chi1, float chi2, float chi3, float chi4, float probability) -> RotamerAngleTuple
461  """
462  _IMP_rotamer.RotamerAngleTuple_swiginit(self, _IMP_rotamer.new_RotamerAngleTuple(*args))
463 
464  def get_chi1(self):
465  r"""get_chi1(RotamerAngleTuple self) -> float"""
466  return _IMP_rotamer.RotamerAngleTuple_get_chi1(self)
467 
468  def get_chi2(self):
469  r"""get_chi2(RotamerAngleTuple self) -> float"""
470  return _IMP_rotamer.RotamerAngleTuple_get_chi2(self)
471 
472  def get_chi3(self):
473  r"""get_chi3(RotamerAngleTuple self) -> float"""
474  return _IMP_rotamer.RotamerAngleTuple_get_chi3(self)
475 
476  def get_chi4(self):
477  r"""get_chi4(RotamerAngleTuple self) -> float"""
478  return _IMP_rotamer.RotamerAngleTuple_get_chi4(self)
479 
480  def get_probability(self):
481  r"""get_probability(RotamerAngleTuple self) -> float"""
482  return _IMP_rotamer.RotamerAngleTuple_get_probability(self)
483 
484  def show(self, *args):
485  r"""show(RotamerAngleTuple self, _ostream out=std::cout)"""
486  return _IMP_rotamer.RotamerAngleTuple_show(self, *args)
487 
488  def __str__(self):
489  r"""__str__(RotamerAngleTuple self) -> std::string"""
490  return _IMP_rotamer.RotamerAngleTuple___str__(self)
491 
492  def __repr__(self):
493  r"""__repr__(RotamerAngleTuple self) -> std::string"""
494  return _IMP_rotamer.RotamerAngleTuple___repr__(self)
495 
496  def _get_as_binary(self):
497  r"""_get_as_binary(RotamerAngleTuple self) -> PyObject *"""
498  return _IMP_rotamer.RotamerAngleTuple__get_as_binary(self)
499 
500  def _set_from_binary(self, p):
501  r"""_set_from_binary(RotamerAngleTuple self, PyObject * p)"""
502  return _IMP_rotamer.RotamerAngleTuple__set_from_binary(self, p)
503 
504  def __getstate__(self):
505  p = self._get_as_binary()
506  if len(self.__dict__) > 1:
507  d = self.__dict__.copy()
508  del d['this']
509  p = (d, p)
510  return p
511 
512  def __setstate__(self, p):
513  if not hasattr(self, 'this'):
514  self.__init__()
515  if isinstance(p, tuple):
516  d, p = p
517  self.__dict__.update(d)
518  return self._set_from_binary(p)
519 
520  __swig_destroy__ = _IMP_rotamer.delete_RotamerAngleTuple
521 
522 # Register RotamerAngleTuple in _IMP_rotamer:
523 _IMP_rotamer.RotamerAngleTuple_swigregister(RotamerAngleTuple)
524 class RotamerLibrary(IMP.Object):
525  r"""Proxy of C++ IMP::rotamer::RotamerLibrary class."""
526 
527  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
528 
529  def __init__(self, angle_step=10):
530  r"""__init__(RotamerLibrary self, unsigned int angle_step=10) -> RotamerLibrary"""
531  _IMP_rotamer.RotamerLibrary_swiginit(self, _IMP_rotamer.new_RotamerLibrary(angle_step))
532 
533  def get_rotamers(self, residue, phi, psi, probability_thr):
534  r"""get_rotamers(RotamerLibrary self, ResidueType residue, float phi, float psi, float probability_thr) -> IMP::rotamer::RotamerAngleTuples"""
535  return _IMP_rotamer.RotamerLibrary_get_rotamers(self, residue, phi, psi, probability_thr)
536 
537  def read_library_file(self, lib_file_name):
538  r"""read_library_file(RotamerLibrary self, std::string const & lib_file_name)"""
539  return _IMP_rotamer.RotamerLibrary_read_library_file(self, lib_file_name)
540 
541  def get_version_info(self):
542  r"""get_version_info(RotamerLibrary self) -> VersionInfo"""
543  return _IMP_rotamer.RotamerLibrary_get_version_info(self)
544  __swig_destroy__ = _IMP_rotamer.delete_RotamerLibrary
545 
546  def __str__(self):
547  r"""__str__(RotamerLibrary self) -> std::string"""
548  return _IMP_rotamer.RotamerLibrary___str__(self)
549 
550  def __repr__(self):
551  r"""__repr__(RotamerLibrary self) -> std::string"""
552  return _IMP_rotamer.RotamerLibrary___repr__(self)
553 
554  @staticmethod
555  def get_from(o):
556  return _object_cast_to_RotamerLibrary(o)
557 
558 
559 # Register RotamerLibrary in _IMP_rotamer:
560 _IMP_rotamer.RotamerLibrary_swigregister(RotamerLibrary)
561 class ResidueRotamer(object):
562  r"""Proxy of C++ IMP::rotamer::ResidueRotamer class."""
563 
564  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
565 
566  def __init__(self, *args):
567  r"""__init__(ResidueRotamer self, ResidueType rt=UNK) -> ResidueRotamer"""
568  _IMP_rotamer.ResidueRotamer_swiginit(self, _IMP_rotamer.new_ResidueRotamer(*args))
569 
570  def get_coordinates(self, index, at):
571  r"""get_coordinates(ResidueRotamer self, unsigned int index, AtomType at) -> Vector3D"""
572  return _IMP_rotamer.ResidueRotamer_get_coordinates(self, index, at)
573 
574  def get_number_of_cases(self, at):
575  r"""get_number_of_cases(ResidueRotamer self, AtomType at) -> unsigned int"""
576  return _IMP_rotamer.ResidueRotamer_get_number_of_cases(self, at)
577 
578  def get_atom_exists(self, at):
579  r"""get_atom_exists(ResidueRotamer self, AtomType at) -> bool"""
580  return _IMP_rotamer.ResidueRotamer_get_atom_exists(self, at)
581 
582  def get_size(self):
583  r"""get_size(ResidueRotamer self) -> unsigned int"""
584  return _IMP_rotamer.ResidueRotamer_get_size(self)
585 
586  def get_probability(self, index):
587  r"""get_probability(ResidueRotamer self, unsigned int index) -> double"""
588  return _IMP_rotamer.ResidueRotamer_get_probability(self, index)
589 
590  def show(self, *args):
591  r"""show(ResidueRotamer self, _ostream out=std::cout)"""
592  return _IMP_rotamer.ResidueRotamer_show(self, *args)
593 
594  def __str__(self):
595  r"""__str__(ResidueRotamer self) -> std::string"""
596  return _IMP_rotamer.ResidueRotamer___str__(self)
597 
598  def __repr__(self):
599  r"""__repr__(ResidueRotamer self) -> std::string"""
600  return _IMP_rotamer.ResidueRotamer___repr__(self)
601  __swig_destroy__ = _IMP_rotamer.delete_ResidueRotamer
602 
603 # Register ResidueRotamer in _IMP_rotamer:
604 _IMP_rotamer.ResidueRotamer_swigregister(ResidueRotamer)
605 class RotamerCalculator(IMP.Object):
606  r"""Proxy of C++ IMP::rotamer::RotamerCalculator class."""
607 
608  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
609 
610  def __init__(self, rl):
611  r"""__init__(RotamerCalculator self, RotamerLibrary rl) -> RotamerCalculator"""
612  _IMP_rotamer.RotamerCalculator_swiginit(self, _IMP_rotamer.new_RotamerCalculator(rl))
613 
614  def get_rotamer(self, rd, thr):
615  r"""get_rotamer(RotamerCalculator self, Residue rd, double thr) -> ResidueRotamer"""
616  return _IMP_rotamer.RotamerCalculator_get_rotamer(self, rd, thr)
617 
618  def get_version_info(self):
619  r"""get_version_info(RotamerCalculator self) -> VersionInfo"""
620  return _IMP_rotamer.RotamerCalculator_get_version_info(self)
621  __swig_destroy__ = _IMP_rotamer.delete_RotamerCalculator
622 
623  def transform(self, protein, score, thr, K, num_iter):
624  r"""transform(RotamerCalculator self, Hierarchy protein, PairScore score, double thr, double K, int num_iter)"""
625  return _IMP_rotamer.RotamerCalculator_transform(self, protein, score, thr, K, num_iter)
626 
627  def __str__(self):
628  r"""__str__(RotamerCalculator self) -> std::string"""
629  return _IMP_rotamer.RotamerCalculator___str__(self)
630 
631  def __repr__(self):
632  r"""__repr__(RotamerCalculator self) -> std::string"""
633  return _IMP_rotamer.RotamerCalculator___repr__(self)
634 
635  @staticmethod
636  def get_from(o):
637  return _object_cast_to_RotamerCalculator(o)
638 
639 
640 # Register RotamerCalculator in _IMP_rotamer:
641 _IMP_rotamer.RotamerCalculator_swigregister(RotamerCalculator)
642 
643 def get_module_version():
644  r"""get_module_version() -> std::string const"""
645  return _IMP_rotamer.get_module_version()
646 
647 def get_example_path(fname):
648  r"""get_example_path(std::string fname) -> std::string"""
649  return _IMP_rotamer.get_example_path(fname)
650 
651 def get_data_path(fname):
652  r"""get_data_path(std::string fname) -> std::string"""
653  return _IMP_rotamer.get_data_path(fname)
654 
655 from . import _version_check
656 _version_check.check_version(get_module_version())
657 __version__ = get_module_version()
658 
659 
Various classes to hold sets of particles.
Make CGAL functionality available to IMP.
Composable functors to implement scores via compile-time composition.
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.
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
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
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.