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IMP Reference Guide  2.22.0
The Integrative Modeling Platform
rotamer/__init__.py
1 # This file was automatically generated by SWIG (https://www.swig.org).
2 # Version 4.3.0
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 2007-2024 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_GPERFTOOLS = _IMP_rotamer.IMP_KERNEL_HAS_GPERFTOOLS
188 
189 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_rotamer.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
190 
191 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_rotamer.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
192 
193 IMPKERNEL_SHOW_WARNINGS = _IMP_rotamer.IMPKERNEL_SHOW_WARNINGS
194 
195 
196 import sys
197 class _DirectorObjects:
198  """@internal Simple class to keep references to director objects
199  to prevent premature deletion."""
200  def __init__(self):
201  self._objects = []
202  def register(self, obj):
203  """Take a reference to a director object; will only work for
204  refcounted C++ classes"""
205  if hasattr(obj, 'get_ref_count'):
206  self._objects.append(obj)
207  def cleanup(self):
208  """Only drop our reference and allow cleanup by Python if no other
209  Python references exist (we hold 3 references: one in self._objects,
210  one in x, and one in the argument list for getrefcount) *and* no
211  other C++ references exist (the Python object always holds one)"""
212  objs = [x for x in self._objects if sys.getrefcount(x) > 3 \
213  or x.get_ref_count() > 1]
214 # Do in two steps so the references are kept until the end of the
215 # function (deleting references may trigger a fresh call to this method)
216  self._objects = objs
217  def get_object_count(self):
218  """Get number of director objects (useful for testing only)"""
219  return len(self._objects)
220 _director_objects = _DirectorObjects()
221 
222 class _ostream(object):
223  r"""Proxy of C++ std::ostream class."""
224 
225  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
226 
227  def __init__(self, *args, **kwargs):
228  raise AttributeError("No constructor defined")
229  __repr__ = _swig_repr
230 
231  def write(self, osa_buf):
232  r"""write(_ostream self, char const * osa_buf)"""
233  return _IMP_rotamer._ostream_write(self, osa_buf)
234 
235 # Register _ostream in _IMP_rotamer:
236 _IMP_rotamer._ostream_swigregister(_ostream)
237 IMP_C_OPEN_BINARY = _IMP_rotamer.IMP_C_OPEN_BINARY
238 
239 import IMP
240 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_CGAL_HAS_BOOST_FILESYSTEM
241 
242 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
243 
244 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_CGAL_HAS_BOOST_RANDOM
245 
246 IMP_CGAL_HAS_BOOST_SYSTEM = _IMP_rotamer.IMP_CGAL_HAS_BOOST_SYSTEM
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_BOOST_SYSTEM = _IMP_rotamer.IMP_ALGEBRA_HAS_BOOST_SYSTEM
262 
263 IMP_ALGEBRA_HAS_CGAL = _IMP_rotamer.IMP_ALGEBRA_HAS_CGAL
264 
265 IMP_ALGEBRA_HAS_NUMPY = _IMP_rotamer.IMP_ALGEBRA_HAS_NUMPY
266 
267 IMP_ALGEBRA_HAS_ANN = _IMP_rotamer.IMP_ALGEBRA_HAS_ANN
268 
269 IMPALGEBRA_SHOW_WARNINGS = _IMP_rotamer.IMPALGEBRA_SHOW_WARNINGS
270 
271 import IMP.algebra
272 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_rotamer.IMP_DISPLAY_HAS_IMP_CGAL
273 
274 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
275 
276 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
277 
278 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_DISPLAY_HAS_BOOST_RANDOM
279 
280 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_rotamer.IMP_DISPLAY_HAS_BOOST_SYSTEM
281 
282 IMP_DISPLAY_HAS_CGAL = _IMP_rotamer.IMP_DISPLAY_HAS_CGAL
283 
284 IMP_DISPLAY_HAS_NUMPY = _IMP_rotamer.IMP_DISPLAY_HAS_NUMPY
285 
286 IMPDISPLAY_SHOW_WARNINGS = _IMP_rotamer.IMPDISPLAY_SHOW_WARNINGS
287 
288 import IMP.display
289 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
290 
291 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
292 
293 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
294 
295 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
296 
297 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
298 
299 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_CGAL
300 
301 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_HDF5
302 
303 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_rotamer.IMP_SCORE_FUNCTOR_HAS_NUMPY
304 
305 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_rotamer.IMPSCOREFUNCTOR_SHOW_WARNINGS
306 
307 import IMP.score_functor
308 IMP_CORE_HAS_IMP_CGAL = _IMP_rotamer.IMP_CORE_HAS_IMP_CGAL
309 
310 IMP_CORE_HAS_IMP_KERNEL = _IMP_rotamer.IMP_CORE_HAS_IMP_KERNEL
311 
312 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_CORE_HAS_BOOST_FILESYSTEM
313 
314 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
315 
316 IMP_CORE_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_CORE_HAS_BOOST_RANDOM
317 
318 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_rotamer.IMP_CORE_HAS_BOOST_SYSTEM
319 
320 IMP_CORE_HAS_CGAL = _IMP_rotamer.IMP_CORE_HAS_CGAL
321 
322 IMP_CORE_HAS_HDF5 = _IMP_rotamer.IMP_CORE_HAS_HDF5
323 
324 IMP_CORE_HAS_NUMPY = _IMP_rotamer.IMP_CORE_HAS_NUMPY
325 
326 IMPCORE_SHOW_WARNINGS = _IMP_rotamer.IMPCORE_SHOW_WARNINGS
327 
328 import IMP.core
329 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_ALGEBRA
330 
331 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_CGAL
332 
333 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_DISPLAY
334 
335 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_KERNEL
336 
337 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_rotamer.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
338 
339 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
340 
341 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
342 
343 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_CONTAINER_HAS_BOOST_RANDOM
344 
345 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_rotamer.IMP_CONTAINER_HAS_BOOST_SYSTEM
346 
347 IMP_CONTAINER_HAS_CGAL = _IMP_rotamer.IMP_CONTAINER_HAS_CGAL
348 
349 IMP_CONTAINER_HAS_HDF5 = _IMP_rotamer.IMP_CONTAINER_HAS_HDF5
350 
351 IMP_CONTAINER_HAS_NUMPY = _IMP_rotamer.IMP_CONTAINER_HAS_NUMPY
352 
353 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_rotamer.IMP_CONTAINER_HAS_PYTHON_IHM
354 
355 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_rotamer.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
356 
357 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_rotamer.IMP_CONTAINER_HAS_ROBIN_MAP
358 
359 IMPCONTAINER_SHOW_WARNINGS = _IMP_rotamer.IMPCONTAINER_SHOW_WARNINGS
360 
361 import IMP.container
362 IMP_ATOM_HAS_IMP_CGAL = _IMP_rotamer.IMP_ATOM_HAS_IMP_CGAL
363 
364 IMP_ATOM_HAS_IMP_KERNEL = _IMP_rotamer.IMP_ATOM_HAS_IMP_KERNEL
365 
366 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_rotamer.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
367 
368 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
369 
370 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_ATOM_HAS_BOOST_RANDOM
371 
372 IMP_ATOM_HAS_BOOST_REGEX = _IMP_rotamer.IMP_ATOM_HAS_BOOST_REGEX
373 
374 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_rotamer.IMP_ATOM_HAS_BOOST_SYSTEM
375 
376 IMP_ATOM_HAS_CGAL = _IMP_rotamer.IMP_ATOM_HAS_CGAL
377 
378 IMP_ATOM_HAS_HDF5 = _IMP_rotamer.IMP_ATOM_HAS_HDF5
379 
380 IMP_ATOM_HAS_NUMPY = _IMP_rotamer.IMP_ATOM_HAS_NUMPY
381 
382 IMP_ATOM_HAS_PYTHON_IHM = _IMP_rotamer.IMP_ATOM_HAS_PYTHON_IHM
383 
384 IMPATOM_SHOW_WARNINGS = _IMP_rotamer.IMPATOM_SHOW_WARNINGS
385 
386 IMP_ATOM_TYPE_INDEX = _IMP_rotamer.IMP_ATOM_TYPE_INDEX
387 
388 IMP_RESIDUE_TYPE_INDEX = _IMP_rotamer.IMP_RESIDUE_TYPE_INDEX
389 
390 IMP_HIERARCHY_TYPE_INDEX = _IMP_rotamer.IMP_HIERARCHY_TYPE_INDEX
391 
392 IMP_CHAIN_TYPE_INDEX = _IMP_rotamer.IMP_CHAIN_TYPE_INDEX
393 
394 import IMP.atom
395 IMP_ROTAMER_HAS_IMP_ALGEBRA = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_ALGEBRA
396 
397 IMP_ROTAMER_HAS_IMP_CGAL = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_CGAL
398 
399 IMP_ROTAMER_HAS_IMP_CONTAINER = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_CONTAINER
400 
401 IMP_ROTAMER_HAS_IMP_DISPLAY = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_DISPLAY
402 
403 IMP_ROTAMER_HAS_IMP_KERNEL = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_KERNEL
404 
405 IMP_ROTAMER_HAS_IMP_SCORE_FUNCTOR = _IMP_rotamer.IMP_ROTAMER_HAS_IMP_SCORE_FUNCTOR
406 
407 IMP_ROTAMER_HAS_BOOST_FILESYSTEM = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_FILESYSTEM
408 
409 IMP_ROTAMER_HAS_BOOST_PROGRAMOPTIONS = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_PROGRAMOPTIONS
410 
411 IMP_ROTAMER_HAS_BOOST_RANDOM = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_RANDOM
412 
413 IMP_ROTAMER_HAS_BOOST_REGEX = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_REGEX
414 
415 IMP_ROTAMER_HAS_BOOST_SYSTEM = _IMP_rotamer.IMP_ROTAMER_HAS_BOOST_SYSTEM
416 
417 IMP_ROTAMER_HAS_CGAL = _IMP_rotamer.IMP_ROTAMER_HAS_CGAL
418 
419 IMP_ROTAMER_HAS_HDF5 = _IMP_rotamer.IMP_ROTAMER_HAS_HDF5
420 
421 IMP_ROTAMER_HAS_NUMPY = _IMP_rotamer.IMP_ROTAMER_HAS_NUMPY
422 
423 IMP_ROTAMER_HAS_PYTHON_IHM = _IMP_rotamer.IMP_ROTAMER_HAS_PYTHON_IHM
424 
425 IMPROTAMER_SHOW_WARNINGS = _IMP_rotamer.IMPROTAMER_SHOW_WARNINGS
426 
427 
428 RotamerAngleTuples=list
429 _plural_types.append("RotamerAngleTuples")
430 _value_types.append("RotamerAngleTuple")
431 
432 
433 ResidueRotamers=list
434 _plural_types.append("ResidueRotamers")
435 _value_types.append("ResidueRotamer")
436 
437 
438 _object_types.append("RotamerLibrary")
439 
440 
441 def _object_cast_to_RotamerLibrary(o):
442  r"""_object_cast_to_RotamerLibrary(Object o) -> RotamerLibrary"""
443  return _IMP_rotamer._object_cast_to_RotamerLibrary(o)
444 
445 _object_types.append("RotamerCalculator")
446 
447 
448 def _object_cast_to_RotamerCalculator(o):
449  r"""_object_cast_to_RotamerCalculator(Object o) -> RotamerCalculator"""
450  return _IMP_rotamer._object_cast_to_RotamerCalculator(o)
451 class RotamerAngleTuple(object):
452  r"""Proxy of C++ IMP::rotamer::RotamerAngleTuple class."""
453 
454  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
455 
456  def __init__(self, *args):
457  r"""
458  __init__(RotamerAngleTuple self) -> RotamerAngleTuple
459  __init__(RotamerAngleTuple self, float chi1, float chi2, float chi3, float chi4, float probability) -> RotamerAngleTuple
460  """
461  _IMP_rotamer.RotamerAngleTuple_swiginit(self, _IMP_rotamer.new_RotamerAngleTuple(*args))
462 
463  def get_chi1(self):
464  r"""get_chi1(RotamerAngleTuple self) -> float"""
465  return _IMP_rotamer.RotamerAngleTuple_get_chi1(self)
466 
467  def get_chi2(self):
468  r"""get_chi2(RotamerAngleTuple self) -> float"""
469  return _IMP_rotamer.RotamerAngleTuple_get_chi2(self)
470 
471  def get_chi3(self):
472  r"""get_chi3(RotamerAngleTuple self) -> float"""
473  return _IMP_rotamer.RotamerAngleTuple_get_chi3(self)
474 
475  def get_chi4(self):
476  r"""get_chi4(RotamerAngleTuple self) -> float"""
477  return _IMP_rotamer.RotamerAngleTuple_get_chi4(self)
478 
479  def get_probability(self):
480  r"""get_probability(RotamerAngleTuple self) -> float"""
481  return _IMP_rotamer.RotamerAngleTuple_get_probability(self)
482 
483  def show(self, *args):
484  r"""show(RotamerAngleTuple self, _ostream out=std::cout)"""
485  return _IMP_rotamer.RotamerAngleTuple_show(self, *args)
486 
487  def __str__(self):
488  r"""__str__(RotamerAngleTuple self) -> std::string"""
489  return _IMP_rotamer.RotamerAngleTuple___str__(self)
490 
491  def __repr__(self):
492  r"""__repr__(RotamerAngleTuple self) -> std::string"""
493  return _IMP_rotamer.RotamerAngleTuple___repr__(self)
494 
495  def _get_as_binary(self):
496  r"""_get_as_binary(RotamerAngleTuple self) -> PyObject *"""
497  return _IMP_rotamer.RotamerAngleTuple__get_as_binary(self)
498 
499  def _set_from_binary(self, p):
500  r"""_set_from_binary(RotamerAngleTuple self, PyObject * p)"""
501  return _IMP_rotamer.RotamerAngleTuple__set_from_binary(self, p)
502 
503  def __getstate__(self):
504  p = self._get_as_binary()
505  if len(self.__dict__) > 1:
506  d = self.__dict__.copy()
507  del d['this']
508  p = (d, p)
509  return p
510 
511  def __setstate__(self, p):
512  if not hasattr(self, 'this'):
513  self.__init__()
514  if isinstance(p, tuple):
515  d, p = p
516  self.__dict__.update(d)
517  return self._set_from_binary(p)
518 
519  __swig_destroy__ = _IMP_rotamer.delete_RotamerAngleTuple
520 
521 # Register RotamerAngleTuple in _IMP_rotamer:
522 _IMP_rotamer.RotamerAngleTuple_swigregister(RotamerAngleTuple)
523 class RotamerLibrary(IMP.Object):
524  r"""Proxy of C++ IMP::rotamer::RotamerLibrary class."""
525 
526  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
527 
528  def __init__(self, angle_step=10):
529  r"""__init__(RotamerLibrary self, unsigned int angle_step=10) -> RotamerLibrary"""
530  _IMP_rotamer.RotamerLibrary_swiginit(self, _IMP_rotamer.new_RotamerLibrary(angle_step))
531 
532  def get_rotamers(self, residue, phi, psi, probability_thr):
533  r"""get_rotamers(RotamerLibrary self, ResidueType residue, float phi, float psi, float probability_thr) -> IMP::rotamer::RotamerAngleTuples"""
534  return _IMP_rotamer.RotamerLibrary_get_rotamers(self, residue, phi, psi, probability_thr)
535 
536  def read_library_file(self, lib_file_name):
537  r"""read_library_file(RotamerLibrary self, std::string const & lib_file_name)"""
538  return _IMP_rotamer.RotamerLibrary_read_library_file(self, lib_file_name)
539 
540  def get_version_info(self):
541  r"""get_version_info(RotamerLibrary self) -> VersionInfo"""
542  return _IMP_rotamer.RotamerLibrary_get_version_info(self)
543  __swig_destroy__ = _IMP_rotamer.delete_RotamerLibrary
544 
545  def __str__(self):
546  r"""__str__(RotamerLibrary self) -> std::string"""
547  return _IMP_rotamer.RotamerLibrary___str__(self)
548 
549  def __repr__(self):
550  r"""__repr__(RotamerLibrary self) -> std::string"""
551  return _IMP_rotamer.RotamerLibrary___repr__(self)
552 
553  @staticmethod
554  def get_from(o):
555  return _object_cast_to_RotamerLibrary(o)
556 
557 
558 # Register RotamerLibrary in _IMP_rotamer:
559 _IMP_rotamer.RotamerLibrary_swigregister(RotamerLibrary)
560 class ResidueRotamer(object):
561  r"""Proxy of C++ IMP::rotamer::ResidueRotamer class."""
562 
563  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
564 
565  def __init__(self, *args):
566  r"""__init__(ResidueRotamer self, ResidueType rt=UNK) -> ResidueRotamer"""
567  _IMP_rotamer.ResidueRotamer_swiginit(self, _IMP_rotamer.new_ResidueRotamer(*args))
568 
569  def get_coordinates(self, index, at):
570  r"""get_coordinates(ResidueRotamer self, unsigned int index, AtomType at) -> Vector3D"""
571  return _IMP_rotamer.ResidueRotamer_get_coordinates(self, index, at)
572 
573  def get_number_of_cases(self, at):
574  r"""get_number_of_cases(ResidueRotamer self, AtomType at) -> unsigned int"""
575  return _IMP_rotamer.ResidueRotamer_get_number_of_cases(self, at)
576 
577  def get_atom_exists(self, at):
578  r"""get_atom_exists(ResidueRotamer self, AtomType at) -> bool"""
579  return _IMP_rotamer.ResidueRotamer_get_atom_exists(self, at)
580 
581  def get_size(self):
582  r"""get_size(ResidueRotamer self) -> unsigned int"""
583  return _IMP_rotamer.ResidueRotamer_get_size(self)
584 
585  def get_probability(self, index):
586  r"""get_probability(ResidueRotamer self, unsigned int index) -> double"""
587  return _IMP_rotamer.ResidueRotamer_get_probability(self, index)
588 
589  def show(self, *args):
590  r"""show(ResidueRotamer self, _ostream out=std::cout)"""
591  return _IMP_rotamer.ResidueRotamer_show(self, *args)
592 
593  def __str__(self):
594  r"""__str__(ResidueRotamer self) -> std::string"""
595  return _IMP_rotamer.ResidueRotamer___str__(self)
596 
597  def __repr__(self):
598  r"""__repr__(ResidueRotamer self) -> std::string"""
599  return _IMP_rotamer.ResidueRotamer___repr__(self)
600  __swig_destroy__ = _IMP_rotamer.delete_ResidueRotamer
601 
602 # Register ResidueRotamer in _IMP_rotamer:
603 _IMP_rotamer.ResidueRotamer_swigregister(ResidueRotamer)
604 class RotamerCalculator(IMP.Object):
605  r"""Proxy of C++ IMP::rotamer::RotamerCalculator class."""
606 
607  thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
608 
609  def __init__(self, rl):
610  r"""__init__(RotamerCalculator self, RotamerLibrary rl) -> RotamerCalculator"""
611  _IMP_rotamer.RotamerCalculator_swiginit(self, _IMP_rotamer.new_RotamerCalculator(rl))
612 
613  def get_rotamer(self, rd, thr):
614  r"""get_rotamer(RotamerCalculator self, Residue rd, double thr) -> ResidueRotamer"""
615  return _IMP_rotamer.RotamerCalculator_get_rotamer(self, rd, thr)
616 
617  def get_version_info(self):
618  r"""get_version_info(RotamerCalculator self) -> VersionInfo"""
619  return _IMP_rotamer.RotamerCalculator_get_version_info(self)
620  __swig_destroy__ = _IMP_rotamer.delete_RotamerCalculator
621 
622  def transform(self, protein, score, thr, K, num_iter):
623  r"""transform(RotamerCalculator self, Hierarchy protein, PairScore score, double thr, double K, int num_iter)"""
624  return _IMP_rotamer.RotamerCalculator_transform(self, protein, score, thr, K, num_iter)
625 
626  def __str__(self):
627  r"""__str__(RotamerCalculator self) -> std::string"""
628  return _IMP_rotamer.RotamerCalculator___str__(self)
629 
630  def __repr__(self):
631  r"""__repr__(RotamerCalculator self) -> std::string"""
632  return _IMP_rotamer.RotamerCalculator___repr__(self)
633 
634  @staticmethod
635  def get_from(o):
636  return _object_cast_to_RotamerCalculator(o)
637 
638 
639 # Register RotamerCalculator in _IMP_rotamer:
640 _IMP_rotamer.RotamerCalculator_swigregister(RotamerCalculator)
641 
642 def get_module_version():
643  r"""get_module_version() -> std::string const"""
644  return _IMP_rotamer.get_module_version()
645 
646 def get_example_path(fname):
647  r"""get_example_path(std::string fname) -> std::string"""
648  return _IMP_rotamer.get_example_path(fname)
649 
650 def get_data_path(fname):
651  r"""get_data_path(std::string fname) -> std::string"""
652  return _IMP_rotamer.get_data_path(fname)
653 
654 from . import _version_check
655 _version_check.check_version(get_module_version())
656 __version__ = get_module_version()
657 
658 
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.