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IMP Reference Guide  2.18.0
The Integrative Modeling Platform
atom/__init__.py
1 # This file was automatically generated by SWIG (http://www.swig.org).
2 # Version 3.0.7
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 2007-2022 IMP Inventors. All rights reserved.
10 
11 from __future__ import print_function, division, absolute_import
12 
13 
14 
15 
16 
17 from sys import version_info
18 if version_info >= (2, 6, 0):
19  def swig_import_helper():
20  from os.path import dirname
21  import imp
22  fp = None
23  try:
24  fp, pathname, description = imp.find_module('_IMP_atom', [dirname(__file__)])
25  except ImportError:
26  import _IMP_atom
27  return _IMP_atom
28  if fp is not None:
29  try:
30  _mod = imp.load_module('_IMP_atom', fp, pathname, description)
31  finally:
32  fp.close()
33  return _mod
34  _IMP_atom = swig_import_helper()
35  del swig_import_helper
36 else:
37  import _IMP_atom
38 del version_info
39 try:
40  _swig_property = property
41 except NameError:
42  pass # Python < 2.2 doesn't have 'property'.
43 
44 
45 def _swig_setattr_nondynamic(self, class_type, name, value, static=1):
46  if (name == "thisown"):
47  return self.this.own(value)
48  if (name == "this"):
49  if type(value).__name__ == 'SwigPyObject':
50  self.__dict__[name] = value
51  return
52  method = class_type.__swig_setmethods__.get(name, None)
53  if method:
54  return method(self, value)
55  if (not static):
56  object.__setattr__(self, name, value)
57  else:
58  raise AttributeError("You cannot add attributes to %s" % self)
59 
60 
61 def _swig_setattr(self, class_type, name, value):
62  return _swig_setattr_nondynamic(self, class_type, name, value, 0)
63 
64 
65 def _swig_getattr_nondynamic(self, class_type, name, static=1):
66  if (name == "thisown"):
67  return self.this.own()
68  method = class_type.__swig_getmethods__.get(name, None)
69  if method:
70  return method(self)
71  if (not static):
72  return object.__getattr__(self, name)
73  else:
74  raise AttributeError(name)
75 
76 def _swig_getattr(self, class_type, name):
77  return _swig_getattr_nondynamic(self, class_type, name, 0)
78 
79 
80 def _swig_repr(self):
81  try:
82  strthis = "proxy of " + self.this.__repr__()
83  except:
84  strthis = ""
85  return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
86 
87 try:
88  _object = object
89  _newclass = 1
90 except AttributeError:
91  class _object:
92  pass
93  _newclass = 0
94 
95 
96 
97 def _swig_setattr_nondynamic_method(set):
98  def set_attr(self, name, value):
99  if (name == "thisown"):
100  return self.this.own(value)
101  if hasattr(self, name) or (name == "this"):
102  set(self, name, value)
103  else:
104  raise AttributeError("You cannot add attributes to %s" % self)
105  return set_attr
106 
107 
108 try:
109  import weakref
110  weakref_proxy = weakref.proxy
111 except:
112  weakref_proxy = lambda x: x
113 
114 
115 class IMP_ATOM_SwigPyIterator(object):
116  """Proxy of C++ swig::IMP_ATOM_SwigPyIterator class"""
117  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
118 
119  def __init__(self, *args, **kwargs):
120  raise AttributeError("No constructor defined - class is abstract")
121  __repr__ = _swig_repr
122  __swig_destroy__ = _IMP_atom.delete_IMP_ATOM_SwigPyIterator
123  __del__ = lambda self: None
124 
125  def value(self):
126  """value(IMP_ATOM_SwigPyIterator self) -> PyObject *"""
127  return _IMP_atom.IMP_ATOM_SwigPyIterator_value(self)
128 
129 
130  def incr(self, n=1):
131  """
132  incr(IMP_ATOM_SwigPyIterator self, size_t n=1) -> IMP_ATOM_SwigPyIterator
133  incr(IMP_ATOM_SwigPyIterator self) -> IMP_ATOM_SwigPyIterator
134  """
135  return _IMP_atom.IMP_ATOM_SwigPyIterator_incr(self, n)
136 
137 
138  def decr(self, n=1):
139  """
140  decr(IMP_ATOM_SwigPyIterator self, size_t n=1) -> IMP_ATOM_SwigPyIterator
141  decr(IMP_ATOM_SwigPyIterator self) -> IMP_ATOM_SwigPyIterator
142  """
143  return _IMP_atom.IMP_ATOM_SwigPyIterator_decr(self, n)
144 
145 
146  def distance(self, x):
147  """distance(IMP_ATOM_SwigPyIterator self, IMP_ATOM_SwigPyIterator x) -> ptrdiff_t"""
148  return _IMP_atom.IMP_ATOM_SwigPyIterator_distance(self, x)
149 
150 
151  def equal(self, x):
152  """equal(IMP_ATOM_SwigPyIterator self, IMP_ATOM_SwigPyIterator x) -> bool"""
153  return _IMP_atom.IMP_ATOM_SwigPyIterator_equal(self, x)
154 
155 
156  def copy(self):
157  """copy(IMP_ATOM_SwigPyIterator self) -> IMP_ATOM_SwigPyIterator"""
158  return _IMP_atom.IMP_ATOM_SwigPyIterator_copy(self)
159 
160 
161  def next(self):
162  """next(IMP_ATOM_SwigPyIterator self) -> PyObject *"""
163  return _IMP_atom.IMP_ATOM_SwigPyIterator_next(self)
164 
165 
166  def __next__(self):
167  """__next__(IMP_ATOM_SwigPyIterator self) -> PyObject *"""
168  return _IMP_atom.IMP_ATOM_SwigPyIterator___next__(self)
169 
170 
171  def previous(self):
172  """previous(IMP_ATOM_SwigPyIterator self) -> PyObject *"""
173  return _IMP_atom.IMP_ATOM_SwigPyIterator_previous(self)
174 
175 
176  def advance(self, n):
177  """advance(IMP_ATOM_SwigPyIterator self, ptrdiff_t n) -> IMP_ATOM_SwigPyIterator"""
178  return _IMP_atom.IMP_ATOM_SwigPyIterator_advance(self, n)
179 
180 
181  def __eq__(self, x):
182  """__eq__(IMP_ATOM_SwigPyIterator self, IMP_ATOM_SwigPyIterator x) -> bool"""
183  return _IMP_atom.IMP_ATOM_SwigPyIterator___eq__(self, x)
184 
185 
186  def __ne__(self, x):
187  """__ne__(IMP_ATOM_SwigPyIterator self, IMP_ATOM_SwigPyIterator x) -> bool"""
188  return _IMP_atom.IMP_ATOM_SwigPyIterator___ne__(self, x)
189 
190 
191  def __iadd__(self, n):
192  """__iadd__(IMP_ATOM_SwigPyIterator self, ptrdiff_t n) -> IMP_ATOM_SwigPyIterator"""
193  return _IMP_atom.IMP_ATOM_SwigPyIterator___iadd__(self, n)
194 
195 
196  def __isub__(self, n):
197  """__isub__(IMP_ATOM_SwigPyIterator self, ptrdiff_t n) -> IMP_ATOM_SwigPyIterator"""
198  return _IMP_atom.IMP_ATOM_SwigPyIterator___isub__(self, n)
199 
200 
201  def __add__(self, n):
202  """__add__(IMP_ATOM_SwigPyIterator self, ptrdiff_t n) -> IMP_ATOM_SwigPyIterator"""
203  return _IMP_atom.IMP_ATOM_SwigPyIterator___add__(self, n)
204 
205 
206  def __sub__(self, *args):
207  """
208  __sub__(IMP_ATOM_SwigPyIterator self, ptrdiff_t n) -> IMP_ATOM_SwigPyIterator
209  __sub__(IMP_ATOM_SwigPyIterator self, IMP_ATOM_SwigPyIterator x) -> ptrdiff_t
210  """
211  return _IMP_atom.IMP_ATOM_SwigPyIterator___sub__(self, *args)
212 
213  def __iter__(self):
214  return self
215 IMP_ATOM_SwigPyIterator_swigregister = _IMP_atom.IMP_ATOM_SwigPyIterator_swigregister
216 IMP_ATOM_SwigPyIterator_swigregister(IMP_ATOM_SwigPyIterator)
217 
218 
219 _value_types=[]
220 _object_types=[]
221 _raii_types=[]
222 _plural_types=[]
223 
224 
225 _IMP_atom.IMP_DEBUG_swigconstant(_IMP_atom)
226 IMP_DEBUG = _IMP_atom.IMP_DEBUG
227 
228 _IMP_atom.IMP_RELEASE_swigconstant(_IMP_atom)
229 IMP_RELEASE = _IMP_atom.IMP_RELEASE
230 
231 _IMP_atom.IMP_SILENT_swigconstant(_IMP_atom)
232 IMP_SILENT = _IMP_atom.IMP_SILENT
233 
234 _IMP_atom.IMP_PROGRESS_swigconstant(_IMP_atom)
235 IMP_PROGRESS = _IMP_atom.IMP_PROGRESS
236 
237 _IMP_atom.IMP_TERSE_swigconstant(_IMP_atom)
238 IMP_TERSE = _IMP_atom.IMP_TERSE
239 
240 _IMP_atom.IMP_VERBOSE_swigconstant(_IMP_atom)
241 IMP_VERBOSE = _IMP_atom.IMP_VERBOSE
242 
243 _IMP_atom.IMP_MEMORY_swigconstant(_IMP_atom)
244 IMP_MEMORY = _IMP_atom.IMP_MEMORY
245 
246 _IMP_atom.IMP_NONE_swigconstant(_IMP_atom)
247 IMP_NONE = _IMP_atom.IMP_NONE
248 
249 _IMP_atom.IMP_USAGE_swigconstant(_IMP_atom)
250 IMP_USAGE = _IMP_atom.IMP_USAGE
251 
252 _IMP_atom.IMP_INTERNAL_swigconstant(_IMP_atom)
253 IMP_INTERNAL = _IMP_atom.IMP_INTERNAL
254 
255 _IMP_atom.IMP_KERNEL_HAS_LOG4CXX_swigconstant(_IMP_atom)
256 IMP_KERNEL_HAS_LOG4CXX = _IMP_atom.IMP_KERNEL_HAS_LOG4CXX
257 
258 _IMP_atom.IMP_COMPILER_HAS_DEBUG_VECTOR_swigconstant(_IMP_atom)
259 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_atom.IMP_COMPILER_HAS_DEBUG_VECTOR
260 
261 _IMP_atom.IMP_COMPILER_HAS_RANDOM_SHUFFLE_swigconstant(_IMP_atom)
262 IMP_COMPILER_HAS_RANDOM_SHUFFLE = _IMP_atom.IMP_COMPILER_HAS_RANDOM_SHUFFLE
263 
264 _IMP_atom.IMP_COMPILER_HAS_THREE_WAY_swigconstant(_IMP_atom)
265 IMP_COMPILER_HAS_THREE_WAY = _IMP_atom.IMP_COMPILER_HAS_THREE_WAY
266 
267 _IMP_atom.IMP_KERNEL_HAS_BOOST_RANDOM_swigconstant(_IMP_atom)
268 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_atom.IMP_KERNEL_HAS_BOOST_RANDOM
269 
270 _IMP_atom.IMP_KERNEL_HAS_NUMPY_swigconstant(_IMP_atom)
271 IMP_KERNEL_HAS_NUMPY = _IMP_atom.IMP_KERNEL_HAS_NUMPY
272 
273 _IMP_atom.IMP_KERNEL_HAS_GPERFTOOLS_swigconstant(_IMP_atom)
274 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_atom.IMP_KERNEL_HAS_GPERFTOOLS
275 
276 _IMP_atom.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER_swigconstant(_IMP_atom)
277 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_atom.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
278 
279 _IMP_atom.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER_swigconstant(_IMP_atom)
280 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_atom.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
281 
282 _IMP_atom.IMPKERNEL_SHOW_WARNINGS_swigconstant(_IMP_atom)
283 IMPKERNEL_SHOW_WARNINGS = _IMP_atom.IMPKERNEL_SHOW_WARNINGS
284 
285 import sys
286 class _DirectorObjects(object):
287  """@internal Simple class to keep references to director objects
288  to prevent premature deletion."""
289  def __init__(self):
290  self._objects = []
291  def register(self, obj):
292  """Take a reference to a director object; will only work for
293  refcounted C++ classes"""
294  if hasattr(obj, 'get_ref_count'):
295  self._objects.append(obj)
296  def cleanup(self):
297  """Only drop our reference and allow cleanup by Python if no other
298  Python references exist (we hold 3 references: one in self._objects,
299  one in x, and one in the argument list for getrefcount) *and* no
300  other C++ references exist (the Python object always holds one)"""
301  objs = [x for x in self._objects if sys.getrefcount(x) > 3 \
302  or x.get_ref_count() > 1]
303 # Do in two steps so the references are kept until the end of the
304 # function (deleting references may trigger a fresh call to this method)
305  self._objects = objs
306  def get_object_count(self):
307  """Get number of director objects (useful for testing only)"""
308  return len(self._objects)
309 _director_objects = _DirectorObjects()
310 
311 class _ostream(object):
312  """Proxy of C++ std::ostream class"""
313  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
314 
315  def __init__(self, *args, **kwargs):
316  raise AttributeError("No constructor defined")
317  __repr__ = _swig_repr
318 
319  def write(self, osa_buf):
320  """write(_ostream self, char const * osa_buf)"""
321  return _IMP_atom._ostream_write(self, osa_buf)
322 
323 _ostream_swigregister = _IMP_atom._ostream_swigregister
324 _ostream_swigregister(_ostream)
325 
326 
327 _IMP_atom.IMP_HAS_NOEXCEPT_swigconstant(_IMP_atom)
328 IMP_HAS_NOEXCEPT = _IMP_atom.IMP_HAS_NOEXCEPT
329 
330 _IMP_atom.IMP_C_OPEN_BINARY_swigconstant(_IMP_atom)
331 IMP_C_OPEN_BINARY = _IMP_atom.IMP_C_OPEN_BINARY
332 import IMP
333 
334 _IMP_atom.IMP_CGAL_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_atom)
335 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_CGAL_HAS_BOOST_FILESYSTEM
336 
337 _IMP_atom.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_atom)
338 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
339 
340 _IMP_atom.IMP_CGAL_HAS_BOOST_RANDOM_swigconstant(_IMP_atom)
341 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_atom.IMP_CGAL_HAS_BOOST_RANDOM
342 
343 _IMP_atom.IMP_CGAL_HAS_BOOST_SERIALIZATION_swigconstant(_IMP_atom)
344 IMP_CGAL_HAS_BOOST_SERIALIZATION = _IMP_atom.IMP_CGAL_HAS_BOOST_SERIALIZATION
345 
346 _IMP_atom.IMP_CGAL_HAS_BOOST_SYSTEM_swigconstant(_IMP_atom)
347 IMP_CGAL_HAS_BOOST_SYSTEM = _IMP_atom.IMP_CGAL_HAS_BOOST_SYSTEM
348 
349 _IMP_atom.IMP_CGAL_HAS_NUMPY_swigconstant(_IMP_atom)
350 IMP_CGAL_HAS_NUMPY = _IMP_atom.IMP_CGAL_HAS_NUMPY
351 
352 _IMP_atom.IMPCGAL_SHOW_WARNINGS_swigconstant(_IMP_atom)
353 IMPCGAL_SHOW_WARNINGS = _IMP_atom.IMPCGAL_SHOW_WARNINGS
354 import IMP.cgal
355 
356 _IMP_atom.IMP_ALGEBRA_HAS_IMP_CGAL_swigconstant(_IMP_atom)
357 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_atom.IMP_ALGEBRA_HAS_IMP_CGAL
358 
359 _IMP_atom.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_atom)
360 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
361 
362 _IMP_atom.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_atom)
363 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
364 
365 _IMP_atom.IMP_ALGEBRA_HAS_BOOST_RANDOM_swigconstant(_IMP_atom)
366 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_atom.IMP_ALGEBRA_HAS_BOOST_RANDOM
367 
368 _IMP_atom.IMP_ALGEBRA_HAS_BOOST_SERIALIZATION_swigconstant(_IMP_atom)
369 IMP_ALGEBRA_HAS_BOOST_SERIALIZATION = _IMP_atom.IMP_ALGEBRA_HAS_BOOST_SERIALIZATION
370 
371 _IMP_atom.IMP_ALGEBRA_HAS_BOOST_SYSTEM_swigconstant(_IMP_atom)
372 IMP_ALGEBRA_HAS_BOOST_SYSTEM = _IMP_atom.IMP_ALGEBRA_HAS_BOOST_SYSTEM
373 
374 _IMP_atom.IMP_ALGEBRA_HAS_CGAL_swigconstant(_IMP_atom)
375 IMP_ALGEBRA_HAS_CGAL = _IMP_atom.IMP_ALGEBRA_HAS_CGAL
376 
377 _IMP_atom.IMP_ALGEBRA_HAS_NUMPY_swigconstant(_IMP_atom)
378 IMP_ALGEBRA_HAS_NUMPY = _IMP_atom.IMP_ALGEBRA_HAS_NUMPY
379 
380 _IMP_atom.IMP_ALGEBRA_HAS_ANN_swigconstant(_IMP_atom)
381 IMP_ALGEBRA_HAS_ANN = _IMP_atom.IMP_ALGEBRA_HAS_ANN
382 
383 _IMP_atom.IMPALGEBRA_SHOW_WARNINGS_swigconstant(_IMP_atom)
384 IMPALGEBRA_SHOW_WARNINGS = _IMP_atom.IMPALGEBRA_SHOW_WARNINGS
385 import IMP.algebra
386 
387 _IMP_atom.IMP_DISPLAY_HAS_IMP_CGAL_swigconstant(_IMP_atom)
388 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_atom.IMP_DISPLAY_HAS_IMP_CGAL
389 
390 _IMP_atom.IMP_DISPLAY_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_atom)
391 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
392 
393 _IMP_atom.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_atom)
394 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
395 
396 _IMP_atom.IMP_DISPLAY_HAS_BOOST_RANDOM_swigconstant(_IMP_atom)
397 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_atom.IMP_DISPLAY_HAS_BOOST_RANDOM
398 
399 _IMP_atom.IMP_DISPLAY_HAS_BOOST_SERIALIZATION_swigconstant(_IMP_atom)
400 IMP_DISPLAY_HAS_BOOST_SERIALIZATION = _IMP_atom.IMP_DISPLAY_HAS_BOOST_SERIALIZATION
401 
402 _IMP_atom.IMP_DISPLAY_HAS_BOOST_SYSTEM_swigconstant(_IMP_atom)
403 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_atom.IMP_DISPLAY_HAS_BOOST_SYSTEM
404 
405 _IMP_atom.IMP_DISPLAY_HAS_CGAL_swigconstant(_IMP_atom)
406 IMP_DISPLAY_HAS_CGAL = _IMP_atom.IMP_DISPLAY_HAS_CGAL
407 
408 _IMP_atom.IMP_DISPLAY_HAS_NUMPY_swigconstant(_IMP_atom)
409 IMP_DISPLAY_HAS_NUMPY = _IMP_atom.IMP_DISPLAY_HAS_NUMPY
410 
411 _IMP_atom.IMPDISPLAY_SHOW_WARNINGS_swigconstant(_IMP_atom)
412 IMPDISPLAY_SHOW_WARNINGS = _IMP_atom.IMPDISPLAY_SHOW_WARNINGS
413 import IMP.display
414 
415 _IMP_atom.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL_swigconstant(_IMP_atom)
416 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
417 
418 _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_atom)
419 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
420 
421 _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_atom)
422 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
423 
424 _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM_swigconstant(_IMP_atom)
425 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
426 
427 _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_SERIALIZATION_swigconstant(_IMP_atom)
428 IMP_SCORE_FUNCTOR_HAS_BOOST_SERIALIZATION = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_SERIALIZATION
429 
430 _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM_swigconstant(_IMP_atom)
431 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
432 
433 _IMP_atom.IMP_SCORE_FUNCTOR_HAS_CGAL_swigconstant(_IMP_atom)
434 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_CGAL
435 
436 _IMP_atom.IMP_SCORE_FUNCTOR_HAS_HDF5_swigconstant(_IMP_atom)
437 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_HDF5
438 
439 _IMP_atom.IMP_SCORE_FUNCTOR_HAS_NUMPY_swigconstant(_IMP_atom)
440 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_NUMPY
441 
442 _IMP_atom.IMPSCOREFUNCTOR_SHOW_WARNINGS_swigconstant(_IMP_atom)
443 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_atom.IMPSCOREFUNCTOR_SHOW_WARNINGS
444 import IMP.score_functor
445 
446 _IMP_atom.IMP_CORE_HAS_IMP_CGAL_swigconstant(_IMP_atom)
447 IMP_CORE_HAS_IMP_CGAL = _IMP_atom.IMP_CORE_HAS_IMP_CGAL
448 
449 _IMP_atom.IMP_CORE_HAS_IMP_KERNEL_swigconstant(_IMP_atom)
450 IMP_CORE_HAS_IMP_KERNEL = _IMP_atom.IMP_CORE_HAS_IMP_KERNEL
451 
452 _IMP_atom.IMP_CORE_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_atom)
453 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_CORE_HAS_BOOST_FILESYSTEM
454 
455 _IMP_atom.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_atom)
456 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
457 
458 _IMP_atom.IMP_CORE_HAS_BOOST_RANDOM_swigconstant(_IMP_atom)
459 IMP_CORE_HAS_BOOST_RANDOM = _IMP_atom.IMP_CORE_HAS_BOOST_RANDOM
460 
461 _IMP_atom.IMP_CORE_HAS_BOOST_SERIALIZATION_swigconstant(_IMP_atom)
462 IMP_CORE_HAS_BOOST_SERIALIZATION = _IMP_atom.IMP_CORE_HAS_BOOST_SERIALIZATION
463 
464 _IMP_atom.IMP_CORE_HAS_BOOST_SYSTEM_swigconstant(_IMP_atom)
465 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_atom.IMP_CORE_HAS_BOOST_SYSTEM
466 
467 _IMP_atom.IMP_CORE_HAS_CGAL_swigconstant(_IMP_atom)
468 IMP_CORE_HAS_CGAL = _IMP_atom.IMP_CORE_HAS_CGAL
469 
470 _IMP_atom.IMP_CORE_HAS_HDF5_swigconstant(_IMP_atom)
471 IMP_CORE_HAS_HDF5 = _IMP_atom.IMP_CORE_HAS_HDF5
472 
473 _IMP_atom.IMP_CORE_HAS_NUMPY_swigconstant(_IMP_atom)
474 IMP_CORE_HAS_NUMPY = _IMP_atom.IMP_CORE_HAS_NUMPY
475 
476 _IMP_atom.IMPCORE_SHOW_WARNINGS_swigconstant(_IMP_atom)
477 IMPCORE_SHOW_WARNINGS = _IMP_atom.IMPCORE_SHOW_WARNINGS
478 import IMP.core
479 
480 _IMP_atom.IMP_CONTAINER_HAS_IMP_ALGEBRA_swigconstant(_IMP_atom)
481 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_atom.IMP_CONTAINER_HAS_IMP_ALGEBRA
482 
483 _IMP_atom.IMP_CONTAINER_HAS_IMP_CGAL_swigconstant(_IMP_atom)
484 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_atom.IMP_CONTAINER_HAS_IMP_CGAL
485 
486 _IMP_atom.IMP_CONTAINER_HAS_IMP_DISPLAY_swigconstant(_IMP_atom)
487 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_atom.IMP_CONTAINER_HAS_IMP_DISPLAY
488 
489 _IMP_atom.IMP_CONTAINER_HAS_IMP_KERNEL_swigconstant(_IMP_atom)
490 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_atom.IMP_CONTAINER_HAS_IMP_KERNEL
491 
492 _IMP_atom.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR_swigconstant(_IMP_atom)
493 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_atom.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
494 
495 _IMP_atom.IMP_CONTAINER_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_atom)
496 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
497 
498 _IMP_atom.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_atom)
499 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
500 
501 _IMP_atom.IMP_CONTAINER_HAS_BOOST_RANDOM_swigconstant(_IMP_atom)
502 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_atom.IMP_CONTAINER_HAS_BOOST_RANDOM
503 
504 _IMP_atom.IMP_CONTAINER_HAS_BOOST_SERIALIZATION_swigconstant(_IMP_atom)
505 IMP_CONTAINER_HAS_BOOST_SERIALIZATION = _IMP_atom.IMP_CONTAINER_HAS_BOOST_SERIALIZATION
506 
507 _IMP_atom.IMP_CONTAINER_HAS_BOOST_SYSTEM_swigconstant(_IMP_atom)
508 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_atom.IMP_CONTAINER_HAS_BOOST_SYSTEM
509 
510 _IMP_atom.IMP_CONTAINER_HAS_CGAL_swigconstant(_IMP_atom)
511 IMP_CONTAINER_HAS_CGAL = _IMP_atom.IMP_CONTAINER_HAS_CGAL
512 
513 _IMP_atom.IMP_CONTAINER_HAS_HDF5_swigconstant(_IMP_atom)
514 IMP_CONTAINER_HAS_HDF5 = _IMP_atom.IMP_CONTAINER_HAS_HDF5
515 
516 _IMP_atom.IMP_CONTAINER_HAS_NUMPY_swigconstant(_IMP_atom)
517 IMP_CONTAINER_HAS_NUMPY = _IMP_atom.IMP_CONTAINER_HAS_NUMPY
518 
519 _IMP_atom.IMP_CONTAINER_HAS_PYTHON_IHM_swigconstant(_IMP_atom)
520 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_atom.IMP_CONTAINER_HAS_PYTHON_IHM
521 
522 _IMP_atom.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP_swigconstant(_IMP_atom)
523 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_atom.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
524 
525 _IMP_atom.IMP_CONTAINER_HAS_ROBIN_MAP_swigconstant(_IMP_atom)
526 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_atom.IMP_CONTAINER_HAS_ROBIN_MAP
527 
528 _IMP_atom.IMPCONTAINER_SHOW_WARNINGS_swigconstant(_IMP_atom)
529 IMPCONTAINER_SHOW_WARNINGS = _IMP_atom.IMPCONTAINER_SHOW_WARNINGS
530 import IMP.container
531 
532 _IMP_atom.IMP_ATOM_HAS_IMP_CGAL_swigconstant(_IMP_atom)
533 IMP_ATOM_HAS_IMP_CGAL = _IMP_atom.IMP_ATOM_HAS_IMP_CGAL
534 
535 _IMP_atom.IMP_ATOM_HAS_IMP_KERNEL_swigconstant(_IMP_atom)
536 IMP_ATOM_HAS_IMP_KERNEL = _IMP_atom.IMP_ATOM_HAS_IMP_KERNEL
537 
538 _IMP_atom.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR_swigconstant(_IMP_atom)
539 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_atom.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
540 
541 _IMP_atom.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_atom)
542 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
543 
544 _IMP_atom.IMP_ATOM_HAS_BOOST_RANDOM_swigconstant(_IMP_atom)
545 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_atom.IMP_ATOM_HAS_BOOST_RANDOM
546 
547 _IMP_atom.IMP_ATOM_HAS_BOOST_REGEX_swigconstant(_IMP_atom)
548 IMP_ATOM_HAS_BOOST_REGEX = _IMP_atom.IMP_ATOM_HAS_BOOST_REGEX
549 
550 _IMP_atom.IMP_ATOM_HAS_BOOST_SERIALIZATION_swigconstant(_IMP_atom)
551 IMP_ATOM_HAS_BOOST_SERIALIZATION = _IMP_atom.IMP_ATOM_HAS_BOOST_SERIALIZATION
552 
553 _IMP_atom.IMP_ATOM_HAS_BOOST_SYSTEM_swigconstant(_IMP_atom)
554 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_atom.IMP_ATOM_HAS_BOOST_SYSTEM
555 
556 _IMP_atom.IMP_ATOM_HAS_CGAL_swigconstant(_IMP_atom)
557 IMP_ATOM_HAS_CGAL = _IMP_atom.IMP_ATOM_HAS_CGAL
558 
559 _IMP_atom.IMP_ATOM_HAS_HDF5_swigconstant(_IMP_atom)
560 IMP_ATOM_HAS_HDF5 = _IMP_atom.IMP_ATOM_HAS_HDF5
561 
562 _IMP_atom.IMP_ATOM_HAS_NUMPY_swigconstant(_IMP_atom)
563 IMP_ATOM_HAS_NUMPY = _IMP_atom.IMP_ATOM_HAS_NUMPY
564 
565 _IMP_atom.IMP_ATOM_HAS_PYTHON_IHM_swigconstant(_IMP_atom)
566 IMP_ATOM_HAS_PYTHON_IHM = _IMP_atom.IMP_ATOM_HAS_PYTHON_IHM
567 
568 _IMP_atom.IMPATOM_SHOW_WARNINGS_swigconstant(_IMP_atom)
569 IMPATOM_SHOW_WARNINGS = _IMP_atom.IMPATOM_SHOW_WARNINGS
570 
571 _IMP_atom.IMP_ATOM_TYPE_INDEX_swigconstant(_IMP_atom)
572 IMP_ATOM_TYPE_INDEX = _IMP_atom.IMP_ATOM_TYPE_INDEX
573 
574 _IMP_atom.IMP_RESIDUE_TYPE_INDEX_swigconstant(_IMP_atom)
575 IMP_RESIDUE_TYPE_INDEX = _IMP_atom.IMP_RESIDUE_TYPE_INDEX
576 
577 _IMP_atom.IMP_HIERARCHY_TYPE_INDEX_swigconstant(_IMP_atom)
578 IMP_HIERARCHY_TYPE_INDEX = _IMP_atom.IMP_HIERARCHY_TYPE_INDEX
579 
580 _IMP_atom.IMP_CHAIN_TYPE_INDEX_swigconstant(_IMP_atom)
581 IMP_CHAIN_TYPE_INDEX = _IMP_atom.IMP_CHAIN_TYPE_INDEX
583  """Proxy of C++ IMP::internal::BoostDigraph<(IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex)> class"""
584  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
585  __repr__ = _swig_repr
586 
587  def __init__(self):
588  """__init__(IMP::internal::BoostDigraph<(IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex)> self) -> HierarchyTree"""
589  this = _IMP_atom.new_HierarchyTree()
590  try:
591  self.this.append(this)
592  except:
593  self.this = this
594 
595  def get_graph(self):
596  """get_graph(HierarchyTree self) -> IMP::atom::HierarchyTree const &"""
597  return _IMP_atom.HierarchyTree_get_graph(self)
598 
599 
600  def get_vertices(self):
601  """get_vertices(HierarchyTree self) -> IMP::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptors"""
602  return _IMP_atom.HierarchyTree_get_vertices(self)
603 
604 
605  def get_vertex_name(self, i):
606  """get_vertex_name(HierarchyTree self, IMP::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor i) -> Hierarchy"""
607  return _IMP_atom.HierarchyTree_get_vertex_name(self, i)
608 
609 
610  def get_in_neighbors(self, v):
611  """get_in_neighbors(HierarchyTree self, IMP::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor v) -> IMP::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptors"""
612  return _IMP_atom.HierarchyTree_get_in_neighbors(self, v)
613 
614 
615  def get_out_neighbors(self, v):
616  """get_out_neighbors(HierarchyTree self, IMP::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor v) -> IMP::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptors"""
617  return _IMP_atom.HierarchyTree_get_out_neighbors(self, v)
618 
619 
620  def show_graphviz(self, *args):
621  """
622  show_graphviz(HierarchyTree self, _ostream out)
623  show_graphviz(HierarchyTree self)
624  """
625  return _IMP_atom.HierarchyTree_show_graphviz(self, *args)
626 
627 
628  def get_graphviz_string(self):
629  """get_graphviz_string(HierarchyTree self) -> std::string"""
630  return _IMP_atom.HierarchyTree_get_graphviz_string(self)
631 
632 
633  def add_edge(self, v0, v1):
634  """add_edge(HierarchyTree self, IMP::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor v0, IMP::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor v1)"""
635  return _IMP_atom.HierarchyTree_add_edge(self, v0, v1)
636 
637 
638  def add_vertex(self, l):
639  """add_vertex(HierarchyTree self, Hierarchy l) -> IMP::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor"""
640  return _IMP_atom.HierarchyTree_add_vertex(self, l)
641 
642 
643  def remove_vertex(self, l):
644  """remove_vertex(HierarchyTree self, IMP::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor l)"""
645  return _IMP_atom.HierarchyTree_remove_vertex(self, l)
646 
647  __swig_destroy__ = _IMP_atom.delete_HierarchyTree
648  __del__ = lambda self: None
649 HierarchyTree_swigregister = _IMP_atom.HierarchyTree_swigregister
650 HierarchyTree_swigregister(HierarchyTree)
651 
652 
653 _value_types.append("HierarchyTree")
654 
655 
656 _object_types.append("PDBSelector")
657 
658 
659 def _object_cast_to_PDBSelector(o):
660  """_object_cast_to_PDBSelector(Object o) -> PDBSelector"""
661  return _IMP_atom._object_cast_to_PDBSelector(o)
662 
663 def Angles(l=[]):
664  return [Angle(x) for x in l]
665 _plural_types.append("Angles")
666 
667 
668 _value_types.append("Angle")
669 
670 
671 def Atoms(l=[]):
672  return [Atom(x) for x in l]
673 _plural_types.append("Atoms")
674 
675 
676 _value_types.append("Atom")
677 
678 
679 def Bonds(l=[]):
680  return [Bond(x) for x in l]
681 _plural_types.append("Bonds")
682 
683 
684 _value_types.append("Bond")
685 
686 
687 def Bondeds(l=[]):
688  return [Bonded(x) for x in l]
689 _plural_types.append("Bondeds")
690 
691 
692 _value_types.append("Bonded")
693 
694 
695 def CHARMMAtomList(l=[]):
696  return [CHARMMAtom(x) for x in l]
697 _plural_types.append("CHARMMAtomList")
698 
699 
700 _value_types.append("CHARMMAtom")
701 
702 
703 def Chains(l=[]):
704  return [Chain(x) for x in l]
705 _plural_types.append("Chains")
706 
707 
708 _value_types.append("Chain")
709 
710 
711 def CenterOfMasses(l=[]):
712  return [CenterOfMass(x) for x in l]
713 _plural_types.append("CenterOfMasses")
714 
715 
716 _value_types.append("CenterOfMass")
717 
718 
719 def Chargeds(l=[]):
720  return [Charged(x) for x in l]
721 _plural_types.append("Chargeds")
722 
723 
724 _value_types.append("Charged")
725 
726 
727 def Diffusions(l=[]):
728  return [Diffusion(x) for x in l]
729 _plural_types.append("Diffusions")
730 
731 
732 _value_types.append("Diffusion")
733 
734 
735 def RigidBodyDiffusions(l=[]):
736  return [RigidBodyDiffusion(x) for x in l]
737 _plural_types.append("RigidBodyDiffusions")
738 
739 
740 _value_types.append("RigidBodyDiffusion")
741 
742 
743 def TAMDParticles(l=[]):
744  return [TAMDParticle(x) for x in l]
745 _plural_types.append("TAMDParticles")
746 
747 
748 _value_types.append("TAMDParticle")
749 
750 
751 def TAMDCentroids(l=[]):
752  return [TAMDCentroid(x) for x in l]
753 _plural_types.append("TAMDCentroids")
754 
755 
756 _value_types.append("TAMDCentroid")
757 
758 
759 def Dihedrals(l=[]):
760  return [Dihedral(x) for x in l]
761 _plural_types.append("Dihedrals")
762 
763 
764 _value_types.append("Dihedral")
765 
766 
767 def Domains(l=[]):
768  return [Domain(x) for x in l]
769 _plural_types.append("Domains")
770 
771 
772 _value_types.append("Domain")
773 
774 
775 def Fragments(l=[]):
776  return [Fragment(x) for x in l]
777 _plural_types.append("Fragments")
778 
779 
780 _value_types.append("Fragment")
781 
782 
783 def Hierarchies(l=[]):
784  return [Hierarchy(x) for x in l]
785 _plural_types.append("Hierarchies")
786 
787 
788 _value_types.append("Hierarchy")
789 
790 
791 def LennardJonesList(l=[]):
792  return [LennardJones(x) for x in l]
793 _plural_types.append("LennardJonesList")
794 
795 
796 _value_types.append("LennardJones")
797 
798 
799 def Masses(l=[]):
800  return [Mass(x) for x in l]
801 _plural_types.append("Masses")
802 
803 
804 _value_types.append("Mass")
805 
806 
807 def LinearVelocities(l=[]):
808  return [LinearVelocity(x) for x in l]
809 _plural_types.append("LinearVelocities")
810 
811 
812 _value_types.append("LinearVelocity")
813 
814 
815 def AngularVelocities(l=[]):
816  return [AngularVelocity(x) for x in l]
817 _plural_types.append("AngularVelocities")
818 
819 
820 _value_types.append("AngularVelocity")
821 
822 
823 def Molecules(l=[]):
824  return [Molecule(x) for x in l]
825 _plural_types.append("Molecules")
826 
827 
828 _value_types.append("Molecule")
829 
830 
831 def Residues(l=[]):
832  return [Residue(x) for x in l]
833 _plural_types.append("Residues")
834 
835 
836 _value_types.append("Residue")
837 
838 
839 def Representations(l=[]):
840  return [Representation(x) for x in l]
841 _plural_types.append("Representations")
842 
843 
844 _value_types.append("Representation")
845 
846 
847 def States(l=[]):
848  return [State(x) for x in l]
849 _plural_types.append("States")
850 
851 
852 _value_types.append("State")
853 
854 
855 def Copies(l=[]):
856  return [Copy(x) for x in l]
857 _plural_types.append("Copies")
858 
859 
860 _value_types.append("Copy")
861 
862 
863 def SecondaryStructureResidues(l=[]):
864  return [SecondaryStructureResidue(x) for x in l]
865 _plural_types.append("SecondaryStructureResidues")
866 
867 
868 _value_types.append("SecondaryStructureResidue")
869 
870 
871 def StructureSources(l=[]):
872  return [StructureSource(x) for x in l]
873 _plural_types.append("StructureSources")
874 
875 
876 _value_types.append("StructureSource")
877 
878 
879 _object_types.append("Simulator")
880 
881 
882 def _object_cast_to_Simulator(o):
883  """_object_cast_to_Simulator(Object o) -> Simulator"""
884  return _IMP_atom._object_cast_to_Simulator(o)
885 
886 _object_types.append("ATOMPDBSelector")
887 
888 
889 def _object_cast_to_ATOMPDBSelector(o):
890  """_object_cast_to_ATOMPDBSelector(Object o) -> ATOMPDBSelector"""
891  return _IMP_atom._object_cast_to_ATOMPDBSelector(o)
892 
893 _object_types.append("AllMol2Selector")
894 
895 
896 def _object_cast_to_AllMol2Selector(o):
897  """_object_cast_to_AllMol2Selector(Object o) -> AllMol2Selector"""
898  return _IMP_atom._object_cast_to_AllMol2Selector(o)
899 
900 _object_types.append("AllPDBSelector")
901 
902 
903 def _object_cast_to_AllPDBSelector(o):
904  """_object_cast_to_AllPDBSelector(Object o) -> AllPDBSelector"""
905  return _IMP_atom._object_cast_to_AllPDBSelector(o)
906 
907 _object_types.append("AndPDBSelector")
908 
909 
910 def _object_cast_to_AndPDBSelector(o):
911  """_object_cast_to_AndPDBSelector(Object o) -> AndPDBSelector"""
912  return _IMP_atom._object_cast_to_AndPDBSelector(o)
913 
914 _object_types.append("XorPDBSelector")
915 
916 
917 def _object_cast_to_XorPDBSelector(o):
918  """_object_cast_to_XorPDBSelector(Object o) -> XorPDBSelector"""
919  return _IMP_atom._object_cast_to_XorPDBSelector(o)
920 
921 _object_types.append("ResidueTypePDBSelector")
922 
923 
924 def _object_cast_to_ResidueTypePDBSelector(o):
925  """_object_cast_to_ResidueTypePDBSelector(Object o) -> ResidueTypePDBSelector"""
926  return _IMP_atom._object_cast_to_ResidueTypePDBSelector(o)
927 
928 _object_types.append("AtomTypePDBSelector")
929 
930 
931 def _object_cast_to_AtomTypePDBSelector(o):
932  """_object_cast_to_AtomTypePDBSelector(Object o) -> AtomTypePDBSelector"""
933  return _IMP_atom._object_cast_to_AtomTypePDBSelector(o)
934 
935 _object_types.append("AngleSingletonScore")
936 
937 
938 def _object_cast_to_AngleSingletonScore(o):
939  """_object_cast_to_AngleSingletonScore(Object o) -> AngleSingletonScore"""
940  return _IMP_atom._object_cast_to_AngleSingletonScore(o)
941 
942 _object_types.append("BondEndpointsRefiner")
943 
944 
945 def _object_cast_to_BondEndpointsRefiner(o):
946  """_object_cast_to_BondEndpointsRefiner(Object o) -> BondEndpointsRefiner"""
947  return _IMP_atom._object_cast_to_BondEndpointsRefiner(o)
948 
949 _object_types.append("BondPairContainer")
950 
951 
952 def _object_cast_to_BondPairContainer(o):
953  """_object_cast_to_BondPairContainer(Object o) -> BondPairContainer"""
954  return _IMP_atom._object_cast_to_BondPairContainer(o)
955 
956 _object_types.append("BondSingletonScore")
957 
958 
959 def _object_cast_to_BondSingletonScore(o):
960  """_object_cast_to_BondSingletonScore(Object o) -> BondSingletonScore"""
961  return _IMP_atom._object_cast_to_BondSingletonScore(o)
962 
963 _object_types.append("BondedPairFilter")
964 
965 
966 def _object_cast_to_BondedPairFilter(o):
967  """_object_cast_to_BondedPairFilter(Object o) -> BondedPairFilter"""
968  return _IMP_atom._object_cast_to_BondedPairFilter(o)
969 
970 _object_types.append("BrownianDynamics")
971 
972 
973 def _object_cast_to_BrownianDynamics(o):
974  """_object_cast_to_BrownianDynamics(Object o) -> BrownianDynamics"""
975  return _IMP_atom._object_cast_to_BrownianDynamics(o)
976 
977 _object_types.append("BrownianDynamicsTAMD")
978 
979 
980 def _object_cast_to_BrownianDynamicsTAMD(o):
981  """_object_cast_to_BrownianDynamicsTAMD(Object o) -> BrownianDynamicsTAMD"""
982  return _IMP_atom._object_cast_to_BrownianDynamicsTAMD(o)
983 
984 _object_types.append("CAlphaPDBSelector")
985 
986 
987 def _object_cast_to_CAlphaPDBSelector(o):
988  """_object_cast_to_CAlphaPDBSelector(Object o) -> CAlphaPDBSelector"""
989  return _IMP_atom._object_cast_to_CAlphaPDBSelector(o)
990 
991 _object_types.append("CBetaPDBSelector")
992 
993 
994 def _object_cast_to_CBetaPDBSelector(o):
995  """_object_cast_to_CBetaPDBSelector(Object o) -> CBetaPDBSelector"""
996  return _IMP_atom._object_cast_to_CBetaPDBSelector(o)
997 
998 _object_types.append("BackbonePDBSelector")
999 
1000 
1001 def _object_cast_to_BackbonePDBSelector(o):
1002  """_object_cast_to_BackbonePDBSelector(Object o) -> BackbonePDBSelector"""
1003  return _IMP_atom._object_cast_to_BackbonePDBSelector(o)
1004 
1005 _object_types.append("CHARMMParameters")
1006 
1007 
1008 def _object_cast_to_CHARMMParameters(o):
1009  """_object_cast_to_CHARMMParameters(Object o) -> CHARMMParameters"""
1010  return _IMP_atom._object_cast_to_CHARMMParameters(o)
1011 
1012 _object_types.append("CHARMMResidueTopology")
1013 
1014 
1015 def _object_cast_to_CHARMMResidueTopology(o):
1016  """_object_cast_to_CHARMMResidueTopology(Object o) -> CHARMMResidueTopology"""
1017  return _IMP_atom._object_cast_to_CHARMMResidueTopology(o)
1018 
1019 _object_types.append("CHARMMSegmentTopology")
1020 
1021 
1022 def _object_cast_to_CHARMMSegmentTopology(o):
1023  """_object_cast_to_CHARMMSegmentTopology(Object o) -> CHARMMSegmentTopology"""
1024  return _IMP_atom._object_cast_to_CHARMMSegmentTopology(o)
1025 
1026 _object_types.append("CHARMMStereochemistryRestraint")
1027 
1028 
1029 def _object_cast_to_CHARMMStereochemistryRestraint(o):
1030  """_object_cast_to_CHARMMStereochemistryRestraint(Object o) -> CHARMMStereochemistryRestraint"""
1031  return _IMP_atom._object_cast_to_CHARMMStereochemistryRestraint(o)
1032 
1033 _object_types.append("CHARMMTopology")
1034 
1035 
1036 def _object_cast_to_CHARMMTopology(o):
1037  """_object_cast_to_CHARMMTopology(Object o) -> CHARMMTopology"""
1038  return _IMP_atom._object_cast_to_CHARMMTopology(o)
1039 
1040 _object_types.append("CPDBSelector")
1041 
1042 
1043 def _object_cast_to_CPDBSelector(o):
1044  """_object_cast_to_CPDBSelector(Object o) -> CPDBSelector"""
1045  return _IMP_atom._object_cast_to_CPDBSelector(o)
1046 
1047 _object_types.append("ChainPDBSelector")
1048 
1049 
1050 def _object_cast_to_ChainPDBSelector(o):
1051  """_object_cast_to_ChainPDBSelector(Object o) -> ChainPDBSelector"""
1052  return _IMP_atom._object_cast_to_ChainPDBSelector(o)
1053 
1054 _object_types.append("CoulombPairScore")
1055 
1056 
1057 def _object_cast_to_CoulombPairScore(o):
1058  """_object_cast_to_CoulombPairScore(Object o) -> CoulombPairScore"""
1059  return _IMP_atom._object_cast_to_CoulombPairScore(o)
1060 
1061 _object_types.append("CoverBond")
1062 
1063 
1064 def _object_cast_to_CoverBond(o):
1065  """_object_cast_to_CoverBond(Object o) -> CoverBond"""
1066  return _IMP_atom._object_cast_to_CoverBond(o)
1067 
1068 _object_types.append("DihedralSingletonScore")
1069 
1070 
1071 def _object_cast_to_DihedralSingletonScore(o):
1072  """_object_cast_to_DihedralSingletonScore(Object o) -> DihedralSingletonScore"""
1073  return _IMP_atom._object_cast_to_DihedralSingletonScore(o)
1074 
1075 _object_types.append("DopePairScore")
1076 
1077 
1078 def _object_cast_to_DopePairScore(o):
1079  """_object_cast_to_DopePairScore(Object o) -> DopePairScore"""
1080  return _IMP_atom._object_cast_to_DopePairScore(o)
1081 
1082 _object_types.append("LoopStatisticalPairScore")
1083 
1084 
1085 def _object_cast_to_LoopStatisticalPairScore(o):
1086  """_object_cast_to_LoopStatisticalPairScore(Object o) -> LoopStatisticalPairScore"""
1087  return _IMP_atom._object_cast_to_LoopStatisticalPairScore(o)
1088 
1089 _object_types.append("OrientedSoapPairScore")
1090 
1091 
1092 def _object_cast_to_OrientedSoapPairScore(o):
1093  """_object_cast_to_OrientedSoapPairScore(Object o) -> OrientedSoapPairScore"""
1094  return _IMP_atom._object_cast_to_OrientedSoapPairScore(o)
1095 
1096 _object_types.append("EzRestraint")
1097 
1098 
1099 def _object_cast_to_EzRestraint(o):
1100  """_object_cast_to_EzRestraint(Object o) -> EzRestraint"""
1101  return _IMP_atom._object_cast_to_EzRestraint(o)
1102 
1103 _object_types.append("ForceFieldParameters")
1104 
1105 
1106 def _object_cast_to_ForceFieldParameters(o):
1107  """_object_cast_to_ForceFieldParameters(Object o) -> ForceFieldParameters"""
1108  return _IMP_atom._object_cast_to_ForceFieldParameters(o)
1109 
1110 _object_types.append("ForceSwitch")
1111 
1112 
1113 def _object_cast_to_ForceSwitch(o):
1114  """_object_cast_to_ForceSwitch(Object o) -> ForceSwitch"""
1115  return _IMP_atom._object_cast_to_ForceSwitch(o)
1116 
1117 _object_types.append("HydrogenPDBSelector")
1118 
1119 
1120 def _object_cast_to_HydrogenPDBSelector(o):
1121  """_object_cast_to_HydrogenPDBSelector(Object o) -> HydrogenPDBSelector"""
1122  return _IMP_atom._object_cast_to_HydrogenPDBSelector(o)
1123 
1124 _object_types.append("ImproperSingletonScore")
1125 
1126 
1127 def _object_cast_to_ImproperSingletonScore(o):
1128  """_object_cast_to_ImproperSingletonScore(Object o) -> ImproperSingletonScore"""
1129  return _IMP_atom._object_cast_to_ImproperSingletonScore(o)
1130 
1131 _object_types.append("LennardJonesPairScore")
1132 
1133 
1134 def _object_cast_to_LennardJonesPairScore(o):
1135  """_object_cast_to_LennardJonesPairScore(Object o) -> LennardJonesPairScore"""
1136  return _IMP_atom._object_cast_to_LennardJonesPairScore(o)
1137 
1138 _object_types.append("Mol2Selector")
1139 
1140 
1141 def _object_cast_to_Mol2Selector(o):
1142  """_object_cast_to_Mol2Selector(Object o) -> Mol2Selector"""
1143  return _IMP_atom._object_cast_to_Mol2Selector(o)
1144 
1145 _object_types.append("MolecularDynamics")
1146 
1147 
1148 def _object_cast_to_MolecularDynamics(o):
1149  """_object_cast_to_MolecularDynamics(Object o) -> MolecularDynamics"""
1150  return _IMP_atom._object_cast_to_MolecularDynamics(o)
1151 
1152 _object_types.append("NPDBSelector")
1153 
1154 
1155 def _object_cast_to_NPDBSelector(o):
1156  """_object_cast_to_NPDBSelector(Object o) -> NPDBSelector"""
1157  return _IMP_atom._object_cast_to_NPDBSelector(o)
1158 
1159 _object_types.append("NonAlternativePDBSelector")
1160 
1161 
1162 def _object_cast_to_NonAlternativePDBSelector(o):
1163  """_object_cast_to_NonAlternativePDBSelector(Object o) -> NonAlternativePDBSelector"""
1164  return _IMP_atom._object_cast_to_NonAlternativePDBSelector(o)
1165 
1166 _object_types.append("NonHydrogenMol2Selector")
1167 
1168 
1169 def _object_cast_to_NonHydrogenMol2Selector(o):
1170  """_object_cast_to_NonHydrogenMol2Selector(Object o) -> NonHydrogenMol2Selector"""
1171  return _IMP_atom._object_cast_to_NonHydrogenMol2Selector(o)
1172 
1173 _object_types.append("NonHydrogenPDBSelector")
1174 
1175 
1176 def _object_cast_to_NonHydrogenPDBSelector(o):
1177  """_object_cast_to_NonHydrogenPDBSelector(Object o) -> NonHydrogenPDBSelector"""
1178  return _IMP_atom._object_cast_to_NonHydrogenPDBSelector(o)
1179 
1180 _object_types.append("NonWaterNonHydrogenPDBSelector")
1181 
1182 
1183 def _object_cast_to_NonWaterNonHydrogenPDBSelector(o):
1184  """_object_cast_to_NonWaterNonHydrogenPDBSelector(Object o) -> NonWaterNonHydrogenPDBSelector"""
1185  return _IMP_atom._object_cast_to_NonWaterNonHydrogenPDBSelector(o)
1186 
1187 _object_types.append("NonWaterPDBSelector")
1188 
1189 
1190 def _object_cast_to_NonWaterPDBSelector(o):
1191  """_object_cast_to_NonWaterPDBSelector(Object o) -> NonWaterPDBSelector"""
1192  return _IMP_atom._object_cast_to_NonWaterPDBSelector(o)
1193 
1194 _object_types.append("NotPDBSelector")
1195 
1196 
1197 def _object_cast_to_NotPDBSelector(o):
1198  """_object_cast_to_NotPDBSelector(Object o) -> NotPDBSelector"""
1199  return _IMP_atom._object_cast_to_NotPDBSelector(o)
1200 
1201 _object_types.append("OrPDBSelector")
1202 
1203 
1204 def _object_cast_to_OrPDBSelector(o):
1205  """_object_cast_to_OrPDBSelector(Object o) -> OrPDBSelector"""
1206  return _IMP_atom._object_cast_to_OrPDBSelector(o)
1207 
1208 _object_types.append("PPDBSelector")
1209 
1210 
1211 def _object_cast_to_PPDBSelector(o):
1212  """_object_cast_to_PPDBSelector(Object o) -> PPDBSelector"""
1213  return _IMP_atom._object_cast_to_PPDBSelector(o)
1214 
1215 _object_types.append("ProteinLigandAtomPairScore")
1216 
1217 
1218 def _object_cast_to_ProteinLigandAtomPairScore(o):
1219  """_object_cast_to_ProteinLigandAtomPairScore(Object o) -> ProteinLigandAtomPairScore"""
1220  return _IMP_atom._object_cast_to_ProteinLigandAtomPairScore(o)
1221 
1222 _object_types.append("ProteinLigandRestraint")
1223 
1224 
1225 def _object_cast_to_ProteinLigandRestraint(o):
1226  """_object_cast_to_ProteinLigandRestraint(Object o) -> ProteinLigandRestraint"""
1227  return _IMP_atom._object_cast_to_ProteinLigandRestraint(o)
1228 
1229 _object_types.append("SameResiduePairFilter")
1230 
1231 
1232 def _object_cast_to_SameResiduePairFilter(o):
1233  """_object_cast_to_SameResiduePairFilter(Object o) -> SameResiduePairFilter"""
1234  return _IMP_atom._object_cast_to_SameResiduePairFilter(o)
1235 
1236 _object_types.append("SoapPairFilter")
1237 
1238 
1239 def _object_cast_to_SoapPairFilter(o):
1240  """_object_cast_to_SoapPairFilter(Object o) -> SoapPairFilter"""
1241  return _IMP_atom._object_cast_to_SoapPairFilter(o)
1242 
1243 _object_types.append("SmoothingFunction")
1244 
1245 
1246 def _object_cast_to_SmoothingFunction(o):
1247  """_object_cast_to_SmoothingFunction(Object o) -> SmoothingFunction"""
1248  return _IMP_atom._object_cast_to_SmoothingFunction(o)
1249 
1250 _object_types.append("StereochemistryPairFilter")
1251 
1252 
1253 def _object_cast_to_StereochemistryPairFilter(o):
1254  """_object_cast_to_StereochemistryPairFilter(Object o) -> StereochemistryPairFilter"""
1255  return _IMP_atom._object_cast_to_StereochemistryPairFilter(o)
1256 
1257 _object_types.append("VelocityScalingOptimizerState")
1258 
1259 
1260 def _object_cast_to_VelocityScalingOptimizerState(o):
1261  """_object_cast_to_VelocityScalingOptimizerState(Object o) -> VelocityScalingOptimizerState"""
1262  return _IMP_atom._object_cast_to_VelocityScalingOptimizerState(o)
1263 
1264 _object_types.append("WaterPDBSelector")
1265 
1266 
1267 def _object_cast_to_WaterPDBSelector(o):
1268  """_object_cast_to_WaterPDBSelector(Object o) -> WaterPDBSelector"""
1269  return _IMP_atom._object_cast_to_WaterPDBSelector(o)
1270 
1271 _object_types.append("WritePDBOptimizerState")
1272 
1273 
1274 def _object_cast_to_WritePDBOptimizerState(o):
1275  """_object_cast_to_WritePDBOptimizerState(Object o) -> WritePDBOptimizerState"""
1276  return _IMP_atom._object_cast_to_WritePDBOptimizerState(o)
1277 
1278 AtomTypes=list
1279 _plural_types.append("AtomTypes")
1280 _value_types.append("AtomType")
1281 
1282 
1283 CHARMMAtomTopologies=list
1284 _plural_types.append("CHARMMAtomTopologies")
1285 _value_types.append("CHARMMAtomTopology")
1286 
1287 
1288 CHARMMBondEndpoints=list
1289 _plural_types.append("CHARMMBondEndpoints")
1290 _value_types.append("CHARMMBondEndpoint")
1291 
1292 
1293 CHARMMBondParametersList=list
1294 _plural_types.append("CHARMMBondParametersList")
1295 _value_types.append("CHARMMBondParameters")
1296 
1297 
1298 CHARMMDihedralParametersList=list
1299 _plural_types.append("CHARMMDihedralParametersList")
1300 _value_types.append("CHARMMDihedralParameters")
1301 
1302 
1303 _object_types.append("CHARMMIdealResidueTopology")
1304 
1305 
1306 def _object_cast_to_CHARMMIdealResidueTopology(o):
1307  """_object_cast_to_CHARMMIdealResidueTopology(Object o) -> CHARMMIdealResidueTopology"""
1308  return _IMP_atom._object_cast_to_CHARMMIdealResidueTopology(o)
1309 
1310 CHARMMInternalCoordinates=list
1311 _plural_types.append("CHARMMInternalCoordinates")
1312 _value_types.append("CHARMMInternalCoordinate")
1313 
1314 
1315 _object_types.append("CHARMMPatch")
1316 
1317 
1318 def _object_cast_to_CHARMMPatch(o):
1319  """_object_cast_to_CHARMMPatch(Object o) -> CHARMMPatch"""
1320  return _IMP_atom._object_cast_to_CHARMMPatch(o)
1321 
1322 _object_types.append("CHARMMResidueTopologyBase")
1323 
1324 
1325 def _object_cast_to_CHARMMResidueTopologyBase(o):
1326  """_object_cast_to_CHARMMResidueTopologyBase(Object o) -> CHARMMResidueTopologyBase"""
1327  return _IMP_atom._object_cast_to_CHARMMResidueTopologyBase(o)
1328 
1329 ResidueTypes=list
1330 _plural_types.append("ResidueTypes")
1331 _value_types.append("ResidueType")
1332 
1333 
1334 ChainTypes=list
1335 _plural_types.append("ChainTypes")
1336 _value_types.append("ChainType")
1337 
1338 
1339 Selections=list
1340 _plural_types.append("Selections")
1341 _value_types.append("Selection")
1342 
1343 
1344 _object_types.append("RemoveRigidMotionOptimizerState")
1345 
1346 
1347 def _object_cast_to_RemoveRigidMotionOptimizerState(o):
1348  """_object_cast_to_RemoveRigidMotionOptimizerState(Object o) -> RemoveRigidMotionOptimizerState"""
1349  return _IMP_atom._object_cast_to_RemoveRigidMotionOptimizerState(o)
1350 
1351 _object_types.append("BerendsenThermostatOptimizerState")
1352 
1353 
1354 def _object_cast_to_BerendsenThermostatOptimizerState(o):
1355  """_object_cast_to_BerendsenThermostatOptimizerState(Object o) -> BerendsenThermostatOptimizerState"""
1356  return _IMP_atom._object_cast_to_BerendsenThermostatOptimizerState(o)
1357 
1358 _object_types.append("LangevinThermostatOptimizerState")
1359 
1360 
1361 def _object_cast_to_LangevinThermostatOptimizerState(o):
1362  """_object_cast_to_LangevinThermostatOptimizerState(Object o) -> LangevinThermostatOptimizerState"""
1363  return _IMP_atom._object_cast_to_LangevinThermostatOptimizerState(o)
1364 
1365 _object_types.append("SelectionGeometry")
1366 
1367 
1368 def _object_cast_to_SelectionGeometry(o):
1369  """_object_cast_to_SelectionGeometry(Object o) -> SelectionGeometry"""
1370  return _IMP_atom._object_cast_to_SelectionGeometry(o)
1371 
1372 _object_types.append("HierarchyGeometry")
1373 
1374 
1375 def _object_cast_to_HierarchyGeometry(o):
1376  """_object_cast_to_HierarchyGeometry(Object o) -> HierarchyGeometry"""
1377  return _IMP_atom._object_cast_to_HierarchyGeometry(o)
1378 
1379 _object_types.append("HierarchiesGeometry")
1380 
1381 
1382 def _object_cast_to_HierarchiesGeometry(o):
1383  """_object_cast_to_HierarchiesGeometry(Object o) -> HierarchiesGeometry"""
1384  return _IMP_atom._object_cast_to_HierarchiesGeometry(o)
1385 
1386 _object_types.append("BondGeometry")
1387 
1388 
1389 def _object_cast_to_BondGeometry(o):
1390  """_object_cast_to_BondGeometry(Object o) -> BondGeometry"""
1391  return _IMP_atom._object_cast_to_BondGeometry(o)
1392 
1393 _object_types.append("BondsGeometry")
1394 
1395 
1396 def _object_cast_to_BondsGeometry(o):
1397  """_object_cast_to_BondsGeometry(Object o) -> BondsGeometry"""
1398  return _IMP_atom._object_cast_to_BondsGeometry(o)
1399 
1400 _object_types.append("CAAngleRestraint")
1401 
1402 
1403 def _object_cast_to_CAAngleRestraint(o):
1404  """_object_cast_to_CAAngleRestraint(Object o) -> CAAngleRestraint"""
1405  return _IMP_atom._object_cast_to_CAAngleRestraint(o)
1406 
1407 _object_types.append("CADihedralRestraint")
1408 
1409 
1410 def _object_cast_to_CADihedralRestraint(o):
1411  """_object_cast_to_CADihedralRestraint(Object o) -> CADihedralRestraint"""
1412  return _IMP_atom._object_cast_to_CADihedralRestraint(o)
1413 
1414 _object_types.append("HelixRestraint")
1415 
1416 
1417 def _object_cast_to_HelixRestraint(o):
1418  """_object_cast_to_HelixRestraint(Object o) -> HelixRestraint"""
1419  return _IMP_atom._object_cast_to_HelixRestraint(o)
1420 
1421 CHARMMDihedrals=list
1422 _plural_types.append("CHARMMDihedrals")
1423 _value_types.append("CHARMMDihedral")
1424 
1425 
1426 CHARMMBonds=list
1427 _plural_types.append("CHARMMBonds")
1428 _value_types.append("CHARMMBond")
1429 
1430 
1431 CHARMMAngles=list
1432 _plural_types.append("CHARMMAngles")
1433 _value_types.append("CHARMMAngle")
1434 
1435 class Bond(IMP.Decorator):
1436  """Proxy of C++ IMP::atom::Bond class"""
1437  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1438 
1439  def __init__(self, *args):
1440  """
1441  __init__(IMP::atom::Bond self) -> Bond
1442  __init__(IMP::atom::Bond self, Model m, ParticleIndex id) -> Bond
1443  __init__(IMP::atom::Bond self, _ParticleAdaptor d) -> Bond
1444  """
1445  this = _IMP_atom.new_Bond(*args)
1446  try:
1447  self.this.append(this)
1448  except:
1449  self.this = this
1450 
1451  def show(self, *args):
1452  """
1453  show(Bond self, _ostream out)
1454  show(Bond self)
1455  """
1456  return _IMP_atom.Bond_show(self, *args)
1457 
1458 
1459  def get_is_setup(*args):
1460  """
1461  get_is_setup(_ParticleAdaptor p) -> bool
1462  get_is_setup(Model m, ParticleIndex pi) -> bool
1463  """
1464  return _IMP_atom.Bond_get_is_setup(*args)
1465 
1466  get_is_setup = staticmethod(get_is_setup)
1467  UNKNOWN = _IMP_atom.Bond_UNKNOWN
1468  NONBIOLOGICAL = _IMP_atom.Bond_NONBIOLOGICAL
1469  SINGLE = _IMP_atom.Bond_SINGLE
1470  DOUBLE = _IMP_atom.Bond_DOUBLE
1471  TRIPLE = _IMP_atom.Bond_TRIPLE
1472  HYDROGEN = _IMP_atom.Bond_HYDROGEN
1473  SALT = _IMP_atom.Bond_SALT
1474  PEPTIDE = _IMP_atom.Bond_PEPTIDE
1475  AMIDE = _IMP_atom.Bond_AMIDE
1476  AROMATIC = _IMP_atom.Bond_AROMATIC
1477 
1478  def get_bonded(self, i):
1479  """get_bonded(Bond self, unsigned int i) -> Bonded"""
1480  return _IMP_atom.Bond_get_bonded(self, i)
1481 
1482 
1483  def get_type(self):
1484  """get_type(Bond self) -> IMP::Int"""
1485  return _IMP_atom.Bond_get_type(self)
1486 
1487 
1488  def set_type(self, t):
1489  """set_type(Bond self, IMP::Int t)"""
1490  return _IMP_atom.Bond_set_type(self, t)
1491 
1492 
1493  def get_order(self):
1494  """get_order(Bond self) -> IMP::Int"""
1495  return _IMP_atom.Bond_get_order(self)
1496 
1497 
1498  def set_order(self, t):
1499  """set_order(Bond self, IMP::Int t)"""
1500  return _IMP_atom.Bond_set_order(self, t)
1501 
1502 
1503  def get_length(self):
1504  """get_length(Bond self) -> IMP::Float"""
1505  return _IMP_atom.Bond_get_length(self)
1506 
1507 
1508  def set_length(self, t):
1509  """set_length(Bond self, IMP::Float t)"""
1510  return _IMP_atom.Bond_set_length(self, t)
1511 
1512 
1513  def get_stiffness(self):
1514  """get_stiffness(Bond self) -> IMP::Float"""
1515  return _IMP_atom.Bond_get_stiffness(self)
1516 
1517 
1518  def set_stiffness(self, t):
1519  """set_stiffness(Bond self, IMP::Float t)"""
1520  return _IMP_atom.Bond_set_stiffness(self, t)
1521 
1522 
1523  def get_length_key():
1524  """get_length_key() -> FloatKey"""
1525  return _IMP_atom.Bond_get_length_key()
1526 
1527  get_length_key = staticmethod(get_length_key)
1528 
1529  def add_attribute(self, *args):
1530  """
1531  add_attribute(Bond self, FloatKey k, IMP::Float v, bool opt)
1532  add_attribute(Bond self, FloatKey a0, IMP::Float a1)
1533  add_attribute(Bond self, IntKey a0, IMP::Int a1)
1534  add_attribute(Bond self, FloatsKey a0, IMP::Floats a1)
1535  add_attribute(Bond self, IntsKey a0, IMP::Ints a1)
1536  add_attribute(Bond self, StringKey a0, IMP::String a1)
1537  add_attribute(Bond self, ParticleIndexKey a0, Particle a1)
1538  add_attribute(Bond self, ObjectKey a0, Object a1)
1539  """
1540  return _IMP_atom.Bond_add_attribute(self, *args)
1541 
1542 
1543  def get_value(self, *args):
1544  """
1545  get_value(Bond self, FloatKey a0) -> IMP::Float
1546  get_value(Bond self, IntKey a0) -> IMP::Int
1547  get_value(Bond self, FloatsKey a0) -> IMP::Floats
1548  get_value(Bond self, IntsKey a0) -> IMP::Ints
1549  get_value(Bond self, StringKey a0) -> IMP::String
1550  get_value(Bond self, ParticleIndexKey a0) -> Particle
1551  get_value(Bond self, ObjectKey a0) -> Object
1552  """
1553  return _IMP_atom.Bond_get_value(self, *args)
1554 
1555 
1556  def set_value(self, *args):
1557  """
1558  set_value(Bond self, FloatKey a0, IMP::Float a1)
1559  set_value(Bond self, IntKey a0, IMP::Int a1)
1560  set_value(Bond self, FloatsKey a0, IMP::Floats a1)
1561  set_value(Bond self, IntsKey a0, IMP::Ints a1)
1562  set_value(Bond self, StringKey a0, IMP::String a1)
1563  set_value(Bond self, ParticleIndexKey a0, Particle a1)
1564  set_value(Bond self, ObjectKey a0, Object a1)
1565  """
1566  return _IMP_atom.Bond_set_value(self, *args)
1567 
1568 
1569  def remove_attribute(self, *args):
1570  """
1571  remove_attribute(Bond self, FloatKey a0)
1572  remove_attribute(Bond self, IntKey a0)
1573  remove_attribute(Bond self, FloatsKey a0)
1574  remove_attribute(Bond self, IntsKey a0)
1575  remove_attribute(Bond self, StringKey a0)
1576  remove_attribute(Bond self, ParticleIndexKey a0)
1577  remove_attribute(Bond self, ObjectKey a0)
1578  """
1579  return _IMP_atom.Bond_remove_attribute(self, *args)
1580 
1581 
1582  def has_attribute(self, *args):
1583  """
1584  has_attribute(Bond self, FloatKey a0) -> bool
1585  has_attribute(Bond self, IntKey a0) -> bool
1586  has_attribute(Bond self, FloatsKey a0) -> bool
1587  has_attribute(Bond self, IntsKey a0) -> bool
1588  has_attribute(Bond self, StringKey a0) -> bool
1589  has_attribute(Bond self, ParticleIndexKey a0) -> bool
1590  has_attribute(Bond self, ObjectKey a0) -> bool
1591  """
1592  return _IMP_atom.Bond_has_attribute(self, *args)
1593 
1594 
1595  def get_derivative(self, a0):
1596  """get_derivative(Bond self, FloatKey a0) -> double"""
1597  return _IMP_atom.Bond_get_derivative(self, a0)
1598 
1599 
1600  def get_name(self):
1601  """get_name(Bond self) -> std::string"""
1602  return _IMP_atom.Bond_get_name(self)
1603 
1604 
1605  def clear_caches(self):
1606  """clear_caches(Bond self)"""
1607  return _IMP_atom.Bond_clear_caches(self)
1608 
1609 
1610  def set_name(self, a0):
1611  """set_name(Bond self, std::string a0)"""
1612  return _IMP_atom.Bond_set_name(self, a0)
1613 
1614 
1615  def set_check_level(self, a0):
1616  """set_check_level(Bond self, IMP::CheckLevel a0)"""
1617  return _IMP_atom.Bond_set_check_level(self, a0)
1618 
1619 
1620  def add_to_derivative(self, a0, a1, a2):
1621  """add_to_derivative(Bond self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1622  return _IMP_atom.Bond_add_to_derivative(self, a0, a1, a2)
1623 
1624 
1625  def set_is_optimized(self, a0, a1):
1626  """set_is_optimized(Bond self, FloatKey a0, bool a1)"""
1627  return _IMP_atom.Bond_set_is_optimized(self, a0, a1)
1628 
1629 
1630  def get_is_optimized(self, a0):
1631  """get_is_optimized(Bond self, FloatKey a0) -> bool"""
1632  return _IMP_atom.Bond_get_is_optimized(self, a0)
1633 
1634 
1635  def get_check_level(self):
1636  """get_check_level(Bond self) -> IMP::CheckLevel"""
1637  return _IMP_atom.Bond_get_check_level(self)
1638 
1639 
1640  def __eq__(self, *args):
1641  """
1642  __eq__(Bond self, Bond o) -> bool
1643  __eq__(Bond self, Particle d) -> bool
1644  """
1645  return _IMP_atom.Bond___eq__(self, *args)
1646 
1647 
1648  def __ne__(self, *args):
1649  """
1650  __ne__(Bond self, Bond o) -> bool
1651  __ne__(Bond self, Particle d) -> bool
1652  """
1653  return _IMP_atom.Bond___ne__(self, *args)
1654 
1655 
1656  def __le__(self, *args):
1657  """
1658  __le__(Bond self, Bond o) -> bool
1659  __le__(Bond self, Particle d) -> bool
1660  """
1661  return _IMP_atom.Bond___le__(self, *args)
1662 
1663 
1664  def __lt__(self, *args):
1665  """
1666  __lt__(Bond self, Bond o) -> bool
1667  __lt__(Bond self, Particle d) -> bool
1668  """
1669  return _IMP_atom.Bond___lt__(self, *args)
1670 
1671 
1672  def __ge__(self, *args):
1673  """
1674  __ge__(Bond self, Bond o) -> bool
1675  __ge__(Bond self, Particle d) -> bool
1676  """
1677  return _IMP_atom.Bond___ge__(self, *args)
1678 
1679 
1680  def __gt__(self, *args):
1681  """
1682  __gt__(Bond self, Bond o) -> bool
1683  __gt__(Bond self, Particle d) -> bool
1684  """
1685  return _IMP_atom.Bond___gt__(self, *args)
1686 
1687 
1688  def __hash__(self):
1689  """__hash__(Bond self) -> std::size_t"""
1690  return _IMP_atom.Bond___hash__(self)
1691 
1692 
1693  def __str__(self):
1694  """__str__(Bond self) -> std::string"""
1695  return _IMP_atom.Bond___str__(self)
1696 
1697 
1698  def __repr__(self):
1699  """__repr__(Bond self) -> std::string"""
1700  return _IMP_atom.Bond___repr__(self)
1701 
1702  __swig_destroy__ = _IMP_atom.delete_Bond
1703  __del__ = lambda self: None
1704 Bond_swigregister = _IMP_atom.Bond_swigregister
1705 Bond_swigregister(Bond)
1706 
1707 def Bond_get_is_setup(*args):
1708  """
1709  get_is_setup(_ParticleAdaptor p) -> bool
1710  Bond_get_is_setup(Model m, ParticleIndex pi) -> bool
1711  """
1712  return _IMP_atom.Bond_get_is_setup(*args)
1713 
1714 def Bond_get_length_key():
1715  """Bond_get_length_key() -> FloatKey"""
1716  return _IMP_atom.Bond_get_length_key()
1717 
1718 class Bonded(IMP.Decorator):
1719  """Proxy of C++ IMP::atom::Bonded class"""
1720  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1721 
1722  def __init__(self, *args):
1723  """
1724  __init__(IMP::atom::Bonded self) -> Bonded
1725  __init__(IMP::atom::Bonded self, Model m, ParticleIndex id) -> Bonded
1726  __init__(IMP::atom::Bonded self, _ParticleAdaptor d) -> Bonded
1727  """
1728  this = _IMP_atom.new_Bonded(*args)
1729  try:
1730  self.this.append(this)
1731  except:
1732  self.this = this
1733 
1734  def show(self, *args):
1735  """
1736  show(Bonded self, _ostream out)
1737  show(Bonded self)
1738  """
1739  return _IMP_atom.Bonded_show(self, *args)
1740 
1741 
1742  def setup_particle(*args):
1743  """
1744  setup_particle(Model m, ParticleIndex pi) -> Bonded
1745  setup_particle(_ParticleAdaptor decorator) -> Bonded
1746  """
1747  return _IMP_atom.Bonded_setup_particle(*args)
1748 
1749  setup_particle = staticmethod(setup_particle)
1750 
1751  def get_is_setup(*args):
1752  """
1753  get_is_setup(_ParticleAdaptor p) -> bool
1754  get_is_setup(Model m, ParticleIndex pi) -> bool
1755  """
1756  return _IMP_atom.Bonded_get_is_setup(*args)
1757 
1758  get_is_setup = staticmethod(get_is_setup)
1759 
1760  def get_number_of_bonds(self):
1761  """get_number_of_bonds(Bonded self) -> unsigned int"""
1762  return _IMP_atom.Bonded_get_number_of_bonds(self)
1763 
1764 
1765  def get_bond_indexes(self):
1766  """get_bond_indexes(Bonded self) -> IMP::ParticleIndexes"""
1767  return _IMP_atom.Bonded_get_bond_indexes(self)
1768 
1769 
1770  def get_bond(self, i):
1771  """get_bond(Bonded self, unsigned int i) -> Bond"""
1772  return _IMP_atom.Bonded_get_bond(self, i)
1773 
1774 
1775  def get_bonded(self, i):
1776  """get_bonded(Bonded self, unsigned int i) -> Bonded"""
1777  return _IMP_atom.Bonded_get_bonded(self, i)
1778 
1779 
1780  def add_attribute(self, *args):
1781  """
1782  add_attribute(Bonded self, FloatKey k, IMP::Float v, bool opt)
1783  add_attribute(Bonded self, FloatKey a0, IMP::Float a1)
1784  add_attribute(Bonded self, IntKey a0, IMP::Int a1)
1785  add_attribute(Bonded self, FloatsKey a0, IMP::Floats a1)
1786  add_attribute(Bonded self, IntsKey a0, IMP::Ints a1)
1787  add_attribute(Bonded self, StringKey a0, IMP::String a1)
1788  add_attribute(Bonded self, ParticleIndexKey a0, Particle a1)
1789  add_attribute(Bonded self, ObjectKey a0, Object a1)
1790  """
1791  return _IMP_atom.Bonded_add_attribute(self, *args)
1792 
1793 
1794  def get_value(self, *args):
1795  """
1796  get_value(Bonded self, FloatKey a0) -> IMP::Float
1797  get_value(Bonded self, IntKey a0) -> IMP::Int
1798  get_value(Bonded self, FloatsKey a0) -> IMP::Floats
1799  get_value(Bonded self, IntsKey a0) -> IMP::Ints
1800  get_value(Bonded self, StringKey a0) -> IMP::String
1801  get_value(Bonded self, ParticleIndexKey a0) -> Particle
1802  get_value(Bonded self, ObjectKey a0) -> Object
1803  """
1804  return _IMP_atom.Bonded_get_value(self, *args)
1805 
1806 
1807  def set_value(self, *args):
1808  """
1809  set_value(Bonded self, FloatKey a0, IMP::Float a1)
1810  set_value(Bonded self, IntKey a0, IMP::Int a1)
1811  set_value(Bonded self, FloatsKey a0, IMP::Floats a1)
1812  set_value(Bonded self, IntsKey a0, IMP::Ints a1)
1813  set_value(Bonded self, StringKey a0, IMP::String a1)
1814  set_value(Bonded self, ParticleIndexKey a0, Particle a1)
1815  set_value(Bonded self, ObjectKey a0, Object a1)
1816  """
1817  return _IMP_atom.Bonded_set_value(self, *args)
1818 
1819 
1820  def remove_attribute(self, *args):
1821  """
1822  remove_attribute(Bonded self, FloatKey a0)
1823  remove_attribute(Bonded self, IntKey a0)
1824  remove_attribute(Bonded self, FloatsKey a0)
1825  remove_attribute(Bonded self, IntsKey a0)
1826  remove_attribute(Bonded self, StringKey a0)
1827  remove_attribute(Bonded self, ParticleIndexKey a0)
1828  remove_attribute(Bonded self, ObjectKey a0)
1829  """
1830  return _IMP_atom.Bonded_remove_attribute(self, *args)
1831 
1832 
1833  def has_attribute(self, *args):
1834  """
1835  has_attribute(Bonded self, FloatKey a0) -> bool
1836  has_attribute(Bonded self, IntKey a0) -> bool
1837  has_attribute(Bonded self, FloatsKey a0) -> bool
1838  has_attribute(Bonded self, IntsKey a0) -> bool
1839  has_attribute(Bonded self, StringKey a0) -> bool
1840  has_attribute(Bonded self, ParticleIndexKey a0) -> bool
1841  has_attribute(Bonded self, ObjectKey a0) -> bool
1842  """
1843  return _IMP_atom.Bonded_has_attribute(self, *args)
1844 
1845 
1846  def get_derivative(self, a0):
1847  """get_derivative(Bonded self, FloatKey a0) -> double"""
1848  return _IMP_atom.Bonded_get_derivative(self, a0)
1849 
1850 
1851  def get_name(self):
1852  """get_name(Bonded self) -> std::string"""
1853  return _IMP_atom.Bonded_get_name(self)
1854 
1855 
1856  def clear_caches(self):
1857  """clear_caches(Bonded self)"""
1858  return _IMP_atom.Bonded_clear_caches(self)
1859 
1860 
1861  def set_name(self, a0):
1862  """set_name(Bonded self, std::string a0)"""
1863  return _IMP_atom.Bonded_set_name(self, a0)
1864 
1865 
1866  def set_check_level(self, a0):
1867  """set_check_level(Bonded self, IMP::CheckLevel a0)"""
1868  return _IMP_atom.Bonded_set_check_level(self, a0)
1869 
1870 
1871  def add_to_derivative(self, a0, a1, a2):
1872  """add_to_derivative(Bonded self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1873  return _IMP_atom.Bonded_add_to_derivative(self, a0, a1, a2)
1874 
1875 
1876  def set_is_optimized(self, a0, a1):
1877  """set_is_optimized(Bonded self, FloatKey a0, bool a1)"""
1878  return _IMP_atom.Bonded_set_is_optimized(self, a0, a1)
1879 
1880 
1881  def get_is_optimized(self, a0):
1882  """get_is_optimized(Bonded self, FloatKey a0) -> bool"""
1883  return _IMP_atom.Bonded_get_is_optimized(self, a0)
1884 
1885 
1886  def get_check_level(self):
1887  """get_check_level(Bonded self) -> IMP::CheckLevel"""
1888  return _IMP_atom.Bonded_get_check_level(self)
1889 
1890 
1891  def __eq__(self, *args):
1892  """
1893  __eq__(Bonded self, Bonded o) -> bool
1894  __eq__(Bonded self, Particle d) -> bool
1895  """
1896  return _IMP_atom.Bonded___eq__(self, *args)
1897 
1898 
1899  def __ne__(self, *args):
1900  """
1901  __ne__(Bonded self, Bonded o) -> bool
1902  __ne__(Bonded self, Particle d) -> bool
1903  """
1904  return _IMP_atom.Bonded___ne__(self, *args)
1905 
1906 
1907  def __le__(self, *args):
1908  """
1909  __le__(Bonded self, Bonded o) -> bool
1910  __le__(Bonded self, Particle d) -> bool
1911  """
1912  return _IMP_atom.Bonded___le__(self, *args)
1913 
1914 
1915  def __lt__(self, *args):
1916  """
1917  __lt__(Bonded self, Bonded o) -> bool
1918  __lt__(Bonded self, Particle d) -> bool
1919  """
1920  return _IMP_atom.Bonded___lt__(self, *args)
1921 
1922 
1923  def __ge__(self, *args):
1924  """
1925  __ge__(Bonded self, Bonded o) -> bool
1926  __ge__(Bonded self, Particle d) -> bool
1927  """
1928  return _IMP_atom.Bonded___ge__(self, *args)
1929 
1930 
1931  def __gt__(self, *args):
1932  """
1933  __gt__(Bonded self, Bonded o) -> bool
1934  __gt__(Bonded self, Particle d) -> bool
1935  """
1936  return _IMP_atom.Bonded___gt__(self, *args)
1937 
1938 
1939  def __hash__(self):
1940  """__hash__(Bonded self) -> std::size_t"""
1941  return _IMP_atom.Bonded___hash__(self)
1942 
1943 
1944  def __str__(self):
1945  """__str__(Bonded self) -> std::string"""
1946  return _IMP_atom.Bonded___str__(self)
1947 
1948 
1949  def __repr__(self):
1950  """__repr__(Bonded self) -> std::string"""
1951  return _IMP_atom.Bonded___repr__(self)
1952 
1953  __swig_destroy__ = _IMP_atom.delete_Bonded
1954  __del__ = lambda self: None
1955 Bonded_swigregister = _IMP_atom.Bonded_swigregister
1956 Bonded_swigregister(Bonded)
1957 
1958 def Bonded_setup_particle(*args):
1959  """
1960  setup_particle(Model m, ParticleIndex pi) -> Bonded
1961  Bonded_setup_particle(_ParticleAdaptor decorator) -> Bonded
1962  """
1963  return _IMP_atom.Bonded_setup_particle(*args)
1964 
1965 def Bonded_get_is_setup(*args):
1966  """
1967  get_is_setup(_ParticleAdaptor p) -> bool
1968  Bonded_get_is_setup(Model m, ParticleIndex pi) -> bool
1969  """
1970  return _IMP_atom.Bonded_get_is_setup(*args)
1971 
1972 
1973 def create_custom_bond(a, b, length, stiffness=-1):
1974  """
1975  create_custom_bond(Bonded a, Bonded b, IMP::Float length, IMP::Float stiffness=-1) -> Bond
1976  create_custom_bond(Bonded a, Bonded b, IMP::Float length) -> Bond
1977  """
1978  return _IMP_atom.create_custom_bond(a, b, length, stiffness)
1979 
1980 def create_bond(*args):
1981  """
1982  create_bond(Bonded a, Bonded b, IMP::Int t) -> Bond
1983  create_bond(Bonded a, Bonded b, Bond o) -> Bond
1984  """
1985  return _IMP_atom.create_bond(*args)
1986 
1987 def destroy_bond(b):
1988  """destroy_bond(Bond b)"""
1989  return _IMP_atom.destroy_bond(b)
1990 
1991 def get_bond(a, b):
1992  """get_bond(Bonded a, Bonded b) -> Bond"""
1993  return _IMP_atom.get_bond(a, b)
1994 class BondGeometry(IMP.display.SingletonGeometry):
1995  """Proxy of C++ IMP::atom::BondGeometry class"""
1996  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1997 
1998  def __init__(self, *args):
1999  """
2000  __init__(IMP::atom::BondGeometry self, Particle p) -> BondGeometry
2001  __init__(IMP::atom::BondGeometry self, Bond d) -> BondGeometry
2002  """
2003  this = _IMP_atom.new_BondGeometry(*args)
2004  try:
2005  self.this.append(this)
2006  except:
2007  self.this = this
2008 
2009  def get_version_info(self):
2010  """get_version_info(BondGeometry self) -> VersionInfo"""
2011  return _IMP_atom.BondGeometry_get_version_info(self)
2012 
2013 
2014  def __str__(self):
2015  """__str__(BondGeometry self) -> std::string"""
2016  return _IMP_atom.BondGeometry___str__(self)
2017 
2018 
2019  def __repr__(self):
2020  """__repr__(BondGeometry self) -> std::string"""
2021  return _IMP_atom.BondGeometry___repr__(self)
2022 
2023 
2024  @staticmethod
2025  def get_from(o):
2026  return _object_cast_to_BondGeometry(o)
2027 
2028 BondGeometry_swigregister = _IMP_atom.BondGeometry_swigregister
2029 BondGeometry_swigregister(BondGeometry)
2030 
2031 class BondsGeometry(IMP.display.SingletonsGeometry):
2032  """Proxy of C++ IMP::atom::BondsGeometry class"""
2033  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2034 
2035  def __init__(self, sc):
2036  """__init__(IMP::atom::BondsGeometry self, SingletonContainer sc) -> BondsGeometry"""
2037  this = _IMP_atom.new_BondsGeometry(sc)
2038  try:
2039  self.this.append(this)
2040  except:
2041  self.this = this
2042 
2043  def get_version_info(self):
2044  """get_version_info(BondsGeometry self) -> VersionInfo"""
2045  return _IMP_atom.BondsGeometry_get_version_info(self)
2046 
2047 
2048  def __str__(self):
2049  """__str__(BondsGeometry self) -> std::string"""
2050  return _IMP_atom.BondsGeometry___str__(self)
2051 
2052 
2053  def __repr__(self):
2054  """__repr__(BondsGeometry self) -> std::string"""
2055  return _IMP_atom.BondsGeometry___repr__(self)
2056 
2057 
2058  @staticmethod
2059  def get_from(o):
2060  return _object_cast_to_BondsGeometry(o)
2061 
2062 BondsGeometry_swigregister = _IMP_atom.BondsGeometry_swigregister
2063 BondsGeometry_swigregister(BondsGeometry)
2064 
2065 class Hierarchy(IMP.core.Hierarchy):
2066  """Proxy of C++ IMP::atom::Hierarchy class"""
2067  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2068 
2069  def __init__(self, *args):
2070  """
2071  __init__(IMP::atom::Hierarchy self, Model m, ParticleIndex pi) -> Hierarchy
2072  __init__(IMP::atom::Hierarchy self, _ParticleAdaptor pi) -> Hierarchy
2073  __init__(IMP::atom::Hierarchy self) -> Hierarchy
2074  __init__(IMP::atom::Hierarchy self, Hierarchy h) -> Hierarchy
2075  """
2076  this = _IMP_atom.new_Hierarchy(*args)
2077  try:
2078  self.this.append(this)
2079  except:
2080  self.this = this
2081 
2082  def setup_particle(*args):
2083  """
2084  setup_particle(Particle p, _ParticleIndexesAdaptor children) -> Hierarchy
2085  setup_particle(Particle p) -> Hierarchy
2086  setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor children) -> Hierarchy
2087  setup_particle(Model m, ParticleIndex pi) -> Hierarchy
2088  """
2089  return _IMP_atom.Hierarchy_setup_particle(*args)
2090 
2091  setup_particle = staticmethod(setup_particle)
2092 
2093  def get_is_setup(*args):
2094  """
2095  get_is_setup(Particle p) -> bool
2096  get_is_setup(Model m, ParticleIndex p) -> bool
2097  """
2098  return _IMP_atom.Hierarchy_get_is_setup(*args)
2099 
2100  get_is_setup = staticmethod(get_is_setup)
2101 
2102  def get_is_valid(self, print_info=False):
2103  """
2104  get_is_valid(Hierarchy self, bool print_info=False) -> bool
2105  get_is_valid(Hierarchy self) -> bool
2106  """
2107  return _IMP_atom.Hierarchy_get_is_valid(self, print_info)
2108 
2109 
2110  def add_child(self, o):
2111  """add_child(Hierarchy self, Hierarchy o)"""
2112  return _IMP_atom.Hierarchy_add_child(self, o)
2113 
2114 
2115  def get_child(self, i):
2116  """get_child(Hierarchy self, unsigned int i) -> Hierarchy"""
2117  return _IMP_atom.Hierarchy_get_child(self, i)
2118 
2119 
2120  def get_children(self):
2121  """get_children(Hierarchy self) -> IMP::atom::Hierarchies"""
2122  return _IMP_atom.Hierarchy_get_children(self)
2123 
2124 
2125  def get_parent(self):
2126  """get_parent(Hierarchy self) -> Hierarchy"""
2127  return _IMP_atom.Hierarchy_get_parent(self)
2128 
2129 
2130  def get_traits():
2131  """get_traits() -> HierarchyTraits"""
2132  return _IMP_atom.Hierarchy_get_traits()
2133 
2134  get_traits = staticmethod(get_traits)
2135 
2136  def show(self, *args):
2137  """
2138  show(Hierarchy self, _ostream out, std::string delimiter)
2139  show(Hierarchy self, _ostream out)
2140  show(Hierarchy self)
2141  """
2142  return _IMP_atom.Hierarchy_show(self, *args)
2143 
2144 
2145  def add_attribute(self, *args):
2146  """
2147  add_attribute(Hierarchy self, FloatKey k, IMP::Float v, bool opt)
2148  add_attribute(Hierarchy self, FloatKey a0, IMP::Float a1)
2149  add_attribute(Hierarchy self, IntKey a0, IMP::Int a1)
2150  add_attribute(Hierarchy self, FloatsKey a0, IMP::Floats a1)
2151  add_attribute(Hierarchy self, IntsKey a0, IMP::Ints a1)
2152  add_attribute(Hierarchy self, StringKey a0, IMP::String a1)
2153  add_attribute(Hierarchy self, ParticleIndexKey a0, Particle a1)
2154  add_attribute(Hierarchy self, ObjectKey a0, Object a1)
2155  """
2156  return _IMP_atom.Hierarchy_add_attribute(self, *args)
2157 
2158 
2159  def get_value(self, *args):
2160  """
2161  get_value(Hierarchy self, FloatKey a0) -> IMP::Float
2162  get_value(Hierarchy self, IntKey a0) -> IMP::Int
2163  get_value(Hierarchy self, FloatsKey a0) -> IMP::Floats
2164  get_value(Hierarchy self, IntsKey a0) -> IMP::Ints
2165  get_value(Hierarchy self, StringKey a0) -> IMP::String
2166  get_value(Hierarchy self, ParticleIndexKey a0) -> Particle
2167  get_value(Hierarchy self, ObjectKey a0) -> Object
2168  """
2169  return _IMP_atom.Hierarchy_get_value(self, *args)
2170 
2171 
2172  def set_value(self, *args):
2173  """
2174  set_value(Hierarchy self, FloatKey a0, IMP::Float a1)
2175  set_value(Hierarchy self, IntKey a0, IMP::Int a1)
2176  set_value(Hierarchy self, FloatsKey a0, IMP::Floats a1)
2177  set_value(Hierarchy self, IntsKey a0, IMP::Ints a1)
2178  set_value(Hierarchy self, StringKey a0, IMP::String a1)
2179  set_value(Hierarchy self, ParticleIndexKey a0, Particle a1)
2180  set_value(Hierarchy self, ObjectKey a0, Object a1)
2181  """
2182  return _IMP_atom.Hierarchy_set_value(self, *args)
2183 
2184 
2185  def remove_attribute(self, *args):
2186  """
2187  remove_attribute(Hierarchy self, FloatKey a0)
2188  remove_attribute(Hierarchy self, IntKey a0)
2189  remove_attribute(Hierarchy self, FloatsKey a0)
2190  remove_attribute(Hierarchy self, IntsKey a0)
2191  remove_attribute(Hierarchy self, StringKey a0)
2192  remove_attribute(Hierarchy self, ParticleIndexKey a0)
2193  remove_attribute(Hierarchy self, ObjectKey a0)
2194  """
2195  return _IMP_atom.Hierarchy_remove_attribute(self, *args)
2196 
2197 
2198  def has_attribute(self, *args):
2199  """
2200  has_attribute(Hierarchy self, FloatKey a0) -> bool
2201  has_attribute(Hierarchy self, IntKey a0) -> bool
2202  has_attribute(Hierarchy self, FloatsKey a0) -> bool
2203  has_attribute(Hierarchy self, IntsKey a0) -> bool
2204  has_attribute(Hierarchy self, StringKey a0) -> bool
2205  has_attribute(Hierarchy self, ParticleIndexKey a0) -> bool
2206  has_attribute(Hierarchy self, ObjectKey a0) -> bool
2207  """
2208  return _IMP_atom.Hierarchy_has_attribute(self, *args)
2209 
2210 
2211  def get_derivative(self, a0):
2212  """get_derivative(Hierarchy self, FloatKey a0) -> double"""
2213  return _IMP_atom.Hierarchy_get_derivative(self, a0)
2214 
2215 
2216  def get_name(self):
2217  """get_name(Hierarchy self) -> std::string"""
2218  return _IMP_atom.Hierarchy_get_name(self)
2219 
2220 
2221  def clear_caches(self):
2222  """clear_caches(Hierarchy self)"""
2223  return _IMP_atom.Hierarchy_clear_caches(self)
2224 
2225 
2226  def set_name(self, a0):
2227  """set_name(Hierarchy self, std::string a0)"""
2228  return _IMP_atom.Hierarchy_set_name(self, a0)
2229 
2230 
2231  def set_check_level(self, a0):
2232  """set_check_level(Hierarchy self, IMP::CheckLevel a0)"""
2233  return _IMP_atom.Hierarchy_set_check_level(self, a0)
2234 
2235 
2236  def add_to_derivative(self, a0, a1, a2):
2237  """add_to_derivative(Hierarchy self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2238  return _IMP_atom.Hierarchy_add_to_derivative(self, a0, a1, a2)
2239 
2240 
2241  def set_is_optimized(self, a0, a1):
2242  """set_is_optimized(Hierarchy self, FloatKey a0, bool a1)"""
2243  return _IMP_atom.Hierarchy_set_is_optimized(self, a0, a1)
2244 
2245 
2246  def get_is_optimized(self, a0):
2247  """get_is_optimized(Hierarchy self, FloatKey a0) -> bool"""
2248  return _IMP_atom.Hierarchy_get_is_optimized(self, a0)
2249 
2250 
2251  def get_check_level(self):
2252  """get_check_level(Hierarchy self) -> IMP::CheckLevel"""
2253  return _IMP_atom.Hierarchy_get_check_level(self)
2254 
2255 
2256  def __eq__(self, *args):
2257  """
2258  __eq__(Hierarchy self, Hierarchy o) -> bool
2259  __eq__(Hierarchy self, Particle d) -> bool
2260  """
2261  return _IMP_atom.Hierarchy___eq__(self, *args)
2262 
2263 
2264  def __ne__(self, *args):
2265  """
2266  __ne__(Hierarchy self, Hierarchy o) -> bool
2267  __ne__(Hierarchy self, Particle d) -> bool
2268  """
2269  return _IMP_atom.Hierarchy___ne__(self, *args)
2270 
2271 
2272  def __le__(self, *args):
2273  """
2274  __le__(Hierarchy self, Hierarchy o) -> bool
2275  __le__(Hierarchy self, Particle d) -> bool
2276  """
2277  return _IMP_atom.Hierarchy___le__(self, *args)
2278 
2279 
2280  def __lt__(self, *args):
2281  """
2282  __lt__(Hierarchy self, Hierarchy o) -> bool
2283  __lt__(Hierarchy self, Particle d) -> bool
2284  """
2285  return _IMP_atom.Hierarchy___lt__(self, *args)
2286 
2287 
2288  def __ge__(self, *args):
2289  """
2290  __ge__(Hierarchy self, Hierarchy o) -> bool
2291  __ge__(Hierarchy self, Particle d) -> bool
2292  """
2293  return _IMP_atom.Hierarchy___ge__(self, *args)
2294 
2295 
2296  def __gt__(self, *args):
2297  """
2298  __gt__(Hierarchy self, Hierarchy o) -> bool
2299  __gt__(Hierarchy self, Particle d) -> bool
2300  """
2301  return _IMP_atom.Hierarchy___gt__(self, *args)
2302 
2303 
2304  def __hash__(self):
2305  """__hash__(Hierarchy self) -> std::size_t"""
2306  return _IMP_atom.Hierarchy___hash__(self)
2307 
2308 
2309  def __str__(self):
2310  """__str__(Hierarchy self) -> std::string"""
2311  return _IMP_atom.Hierarchy___str__(self)
2312 
2313 
2314  def __repr__(self):
2315  """__repr__(Hierarchy self) -> std::string"""
2316  return _IMP_atom.Hierarchy___repr__(self)
2317 
2318  __swig_destroy__ = _IMP_atom.delete_Hierarchy
2319  __del__ = lambda self: None
2320 Hierarchy_swigregister = _IMP_atom.Hierarchy_swigregister
2321 Hierarchy_swigregister(Hierarchy)
2322 
2323 def Hierarchy_setup_particle(*args):
2324  """
2325  setup_particle(Particle p, _ParticleIndexesAdaptor children) -> Hierarchy
2326  setup_particle(Particle p) -> Hierarchy
2327  setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor children) -> Hierarchy
2328  Hierarchy_setup_particle(Model m, ParticleIndex pi) -> Hierarchy
2329  """
2330  return _IMP_atom.Hierarchy_setup_particle(*args)
2331 
2332 def Hierarchy_get_is_setup(*args):
2333  """
2334  get_is_setup(Particle p) -> bool
2335  Hierarchy_get_is_setup(Model m, ParticleIndex p) -> bool
2336  """
2337  return _IMP_atom.Hierarchy_get_is_setup(*args)
2338 
2339 def Hierarchy_get_traits():
2340  """Hierarchy_get_traits() -> HierarchyTraits"""
2341  return _IMP_atom.Hierarchy_get_traits()
2342 
2343 
2344 _IMP_atom.ATOM_TYPE_swigconstant(_IMP_atom)
2345 ATOM_TYPE = _IMP_atom.ATOM_TYPE
2346 
2347 _IMP_atom.RESIDUE_TYPE_swigconstant(_IMP_atom)
2348 RESIDUE_TYPE = _IMP_atom.RESIDUE_TYPE
2349 
2350 _IMP_atom.CHAIN_TYPE_swigconstant(_IMP_atom)
2351 CHAIN_TYPE = _IMP_atom.CHAIN_TYPE
2352 
2353 _IMP_atom.MOLECULE_TYPE_swigconstant(_IMP_atom)
2354 MOLECULE_TYPE = _IMP_atom.MOLECULE_TYPE
2355 
2356 _IMP_atom.DOMAIN_TYPE_swigconstant(_IMP_atom)
2357 DOMAIN_TYPE = _IMP_atom.DOMAIN_TYPE
2358 
2359 _IMP_atom.FRAGMENT_TYPE_swigconstant(_IMP_atom)
2360 FRAGMENT_TYPE = _IMP_atom.FRAGMENT_TYPE
2361 
2362 _IMP_atom.XYZ_TYPE_swigconstant(_IMP_atom)
2363 XYZ_TYPE = _IMP_atom.XYZ_TYPE
2364 
2365 _IMP_atom.XYZR_TYPE_swigconstant(_IMP_atom)
2366 XYZR_TYPE = _IMP_atom.XYZR_TYPE
2367 
2368 _IMP_atom.MASS_TYPE_swigconstant(_IMP_atom)
2369 MASS_TYPE = _IMP_atom.MASS_TYPE
2370 
2371 _IMP_atom.STATE_TYPE_swigconstant(_IMP_atom)
2372 STATE_TYPE = _IMP_atom.STATE_TYPE
2373 
2374 def get_by_type(mhd, t):
2375  """get_by_type(Hierarchy mhd, IMP::atom::GetByType t) -> IMP::atom::Hierarchies"""
2376  return _IMP_atom.get_by_type(mhd, t)
2377 
2378 def create_fragment(ps):
2379  """create_fragment(IMP::atom::Hierarchies const & ps) -> Hierarchy"""
2380  return _IMP_atom.create_fragment(ps)
2381 
2382 def get_internal_bonds(mhd):
2383  """get_internal_bonds(Hierarchy mhd) -> IMP::atom::Bonds"""
2384  return _IMP_atom.get_internal_bonds(mhd)
2385 
2386 def get_root(h):
2387  """get_root(Hierarchy h) -> Hierarchy"""
2388  return _IMP_atom.get_root(h)
2389 
2390 def show(*args):
2391  """
2392  show(Hierarchy h, _ostream out)
2393  show(Hierarchy h)
2394  """
2395  return _IMP_atom.show(*args)
2396 
2397 def create_rigid_body(*args):
2398  """
2399  create_rigid_body(IMP::atom::Hierarchies const & h, std::string name) -> RigidBody
2400  create_rigid_body(IMP::atom::Hierarchies const & h) -> RigidBody
2401  create_rigid_body(Hierarchy h) -> RigidBody
2402  """
2403  return _IMP_atom.create_rigid_body(*args)
2404 
2405 def create_compatible_rigid_body(h, reference):
2406  """create_compatible_rigid_body(Hierarchy h, Hierarchy reference) -> RigidBody"""
2407  return _IMP_atom.create_compatible_rigid_body(h, reference)
2408 
2409 def get_is_heterogen(h):
2410  """get_is_heterogen(Hierarchy h) -> bool"""
2411  return _IMP_atom.get_is_heterogen(h)
2412 
2413 def create_clone(d):
2414  """create_clone(Hierarchy d) -> Hierarchy"""
2415  return _IMP_atom.create_clone(d)
2416 
2417 def create_clone_one(d):
2418  """create_clone_one(Hierarchy d) -> Hierarchy"""
2419  return _IMP_atom.create_clone_one(d)
2420 
2421 def destroy(d):
2422  """destroy(Hierarchy d)"""
2423  return _IMP_atom.destroy(d)
2424 
2425 def get_bounding_box(h):
2426  """get_bounding_box(Hierarchy h) -> BoundingBox3D"""
2427  return _IMP_atom.get_bounding_box(h)
2428 
2429 def get_bounding_sphere(h):
2430  """get_bounding_sphere(Hierarchy h) -> Sphere3D"""
2431  return _IMP_atom.get_bounding_sphere(h)
2432 class Angle(IMP.Decorator):
2433  """Proxy of C++ IMP::atom::Angle class"""
2434  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2435 
2436  def __init__(self, *args):
2437  """
2438  __init__(IMP::atom::Angle self) -> Angle
2439  __init__(IMP::atom::Angle self, Model m, ParticleIndex id) -> Angle
2440  __init__(IMP::atom::Angle self, _ParticleAdaptor d) -> Angle
2441  """
2442  this = _IMP_atom.new_Angle(*args)
2443  try:
2444  self.this.append(this)
2445  except:
2446  self.this = this
2447 
2448  def show(self, *args):
2449  """
2450  show(Angle self, _ostream out)
2451  show(Angle self)
2452  """
2453  return _IMP_atom.Angle_show(self, *args)
2454 
2455 
2456  def setup_particle(*args):
2457  """
2458  setup_particle(Model m, ParticleIndex pi, XYZ a, XYZ b, XYZ c) -> Angle
2459  setup_particle(_ParticleAdaptor decorator, XYZ a, XYZ b, XYZ c) -> Angle
2460  """
2461  return _IMP_atom.Angle_setup_particle(*args)
2462 
2463  setup_particle = staticmethod(setup_particle)
2464 
2465  def get_is_setup(*args):
2466  """
2467  get_is_setup(_ParticleAdaptor p) -> bool
2468  get_is_setup(Model m, ParticleIndex pi) -> bool
2469  """
2470  return _IMP_atom.Angle_get_is_setup(*args)
2471 
2472  get_is_setup = staticmethod(get_is_setup)
2473 
2474  def get_particle(self, *args):
2475  """
2476  get_particle(Angle self) -> Particle
2477  get_particle(Angle self, unsigned int i) -> Particle
2478  """
2479  return _IMP_atom.Angle_get_particle(self, *args)
2480 
2481 
2482  def get_ideal(self):
2483  """get_ideal(Angle self) -> IMP::Float"""
2484  return _IMP_atom.Angle_get_ideal(self)
2485 
2486 
2487  def set_ideal(self, t):
2488  """set_ideal(Angle self, IMP::Float t)"""
2489  return _IMP_atom.Angle_set_ideal(self, t)
2490 
2491 
2492  def get_stiffness(self):
2493  """get_stiffness(Angle self) -> IMP::Float"""
2494  return _IMP_atom.Angle_get_stiffness(self)
2495 
2496 
2497  def set_stiffness(self, t):
2498  """set_stiffness(Angle self, IMP::Float t)"""
2499  return _IMP_atom.Angle_set_stiffness(self, t)
2500 
2501 
2502  def get_particle_key(i):
2503  """get_particle_key(unsigned int i) -> ParticleIndexKey"""
2504  return _IMP_atom.Angle_get_particle_key(i)
2505 
2506  get_particle_key = staticmethod(get_particle_key)
2507 
2508  def get_ideal_key():
2509  """get_ideal_key() -> FloatKey"""
2510  return _IMP_atom.Angle_get_ideal_key()
2511 
2512  get_ideal_key = staticmethod(get_ideal_key)
2513 
2514  def get_stiffness_key():
2515  """get_stiffness_key() -> FloatKey"""
2516  return _IMP_atom.Angle_get_stiffness_key()
2517 
2518  get_stiffness_key = staticmethod(get_stiffness_key)
2519 
2520  def add_attribute(self, *args):
2521  """
2522  add_attribute(Angle self, FloatKey k, IMP::Float v, bool opt)
2523  add_attribute(Angle self, FloatKey a0, IMP::Float a1)
2524  add_attribute(Angle self, IntKey a0, IMP::Int a1)
2525  add_attribute(Angle self, FloatsKey a0, IMP::Floats a1)
2526  add_attribute(Angle self, IntsKey a0, IMP::Ints a1)
2527  add_attribute(Angle self, StringKey a0, IMP::String a1)
2528  add_attribute(Angle self, ParticleIndexKey a0, Particle a1)
2529  add_attribute(Angle self, ObjectKey a0, Object a1)
2530  """
2531  return _IMP_atom.Angle_add_attribute(self, *args)
2532 
2533 
2534  def get_value(self, *args):
2535  """
2536  get_value(Angle self, FloatKey a0) -> IMP::Float
2537  get_value(Angle self, IntKey a0) -> IMP::Int
2538  get_value(Angle self, FloatsKey a0) -> IMP::Floats
2539  get_value(Angle self, IntsKey a0) -> IMP::Ints
2540  get_value(Angle self, StringKey a0) -> IMP::String
2541  get_value(Angle self, ParticleIndexKey a0) -> Particle
2542  get_value(Angle self, ObjectKey a0) -> Object
2543  """
2544  return _IMP_atom.Angle_get_value(self, *args)
2545 
2546 
2547  def set_value(self, *args):
2548  """
2549  set_value(Angle self, FloatKey a0, IMP::Float a1)
2550  set_value(Angle self, IntKey a0, IMP::Int a1)
2551  set_value(Angle self, FloatsKey a0, IMP::Floats a1)
2552  set_value(Angle self, IntsKey a0, IMP::Ints a1)
2553  set_value(Angle self, StringKey a0, IMP::String a1)
2554  set_value(Angle self, ParticleIndexKey a0, Particle a1)
2555  set_value(Angle self, ObjectKey a0, Object a1)
2556  """
2557  return _IMP_atom.Angle_set_value(self, *args)
2558 
2559 
2560  def remove_attribute(self, *args):
2561  """
2562  remove_attribute(Angle self, FloatKey a0)
2563  remove_attribute(Angle self, IntKey a0)
2564  remove_attribute(Angle self, FloatsKey a0)
2565  remove_attribute(Angle self, IntsKey a0)
2566  remove_attribute(Angle self, StringKey a0)
2567  remove_attribute(Angle self, ParticleIndexKey a0)
2568  remove_attribute(Angle self, ObjectKey a0)
2569  """
2570  return _IMP_atom.Angle_remove_attribute(self, *args)
2571 
2572 
2573  def has_attribute(self, *args):
2574  """
2575  has_attribute(Angle self, FloatKey a0) -> bool
2576  has_attribute(Angle self, IntKey a0) -> bool
2577  has_attribute(Angle self, FloatsKey a0) -> bool
2578  has_attribute(Angle self, IntsKey a0) -> bool
2579  has_attribute(Angle self, StringKey a0) -> bool
2580  has_attribute(Angle self, ParticleIndexKey a0) -> bool
2581  has_attribute(Angle self, ObjectKey a0) -> bool
2582  """
2583  return _IMP_atom.Angle_has_attribute(self, *args)
2584 
2585 
2586  def get_derivative(self, a0):
2587  """get_derivative(Angle self, FloatKey a0) -> double"""
2588  return _IMP_atom.Angle_get_derivative(self, a0)
2589 
2590 
2591  def get_name(self):
2592  """get_name(Angle self) -> std::string"""
2593  return _IMP_atom.Angle_get_name(self)
2594 
2595 
2596  def clear_caches(self):
2597  """clear_caches(Angle self)"""
2598  return _IMP_atom.Angle_clear_caches(self)
2599 
2600 
2601  def set_name(self, a0):
2602  """set_name(Angle self, std::string a0)"""
2603  return _IMP_atom.Angle_set_name(self, a0)
2604 
2605 
2606  def set_check_level(self, a0):
2607  """set_check_level(Angle self, IMP::CheckLevel a0)"""
2608  return _IMP_atom.Angle_set_check_level(self, a0)
2609 
2610 
2611  def add_to_derivative(self, a0, a1, a2):
2612  """add_to_derivative(Angle self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2613  return _IMP_atom.Angle_add_to_derivative(self, a0, a1, a2)
2614 
2615 
2616  def set_is_optimized(self, a0, a1):
2617  """set_is_optimized(Angle self, FloatKey a0, bool a1)"""
2618  return _IMP_atom.Angle_set_is_optimized(self, a0, a1)
2619 
2620 
2621  def get_is_optimized(self, a0):
2622  """get_is_optimized(Angle self, FloatKey a0) -> bool"""
2623  return _IMP_atom.Angle_get_is_optimized(self, a0)
2624 
2625 
2626  def get_check_level(self):
2627  """get_check_level(Angle self) -> IMP::CheckLevel"""
2628  return _IMP_atom.Angle_get_check_level(self)
2629 
2630 
2631  def __eq__(self, *args):
2632  """
2633  __eq__(Angle self, Angle o) -> bool
2634  __eq__(Angle self, Particle d) -> bool
2635  """
2636  return _IMP_atom.Angle___eq__(self, *args)
2637 
2638 
2639  def __ne__(self, *args):
2640  """
2641  __ne__(Angle self, Angle o) -> bool
2642  __ne__(Angle self, Particle d) -> bool
2643  """
2644  return _IMP_atom.Angle___ne__(self, *args)
2645 
2646 
2647  def __le__(self, *args):
2648  """
2649  __le__(Angle self, Angle o) -> bool
2650  __le__(Angle self, Particle d) -> bool
2651  """
2652  return _IMP_atom.Angle___le__(self, *args)
2653 
2654 
2655  def __lt__(self, *args):
2656  """
2657  __lt__(Angle self, Angle o) -> bool
2658  __lt__(Angle self, Particle d) -> bool
2659  """
2660  return _IMP_atom.Angle___lt__(self, *args)
2661 
2662 
2663  def __ge__(self, *args):
2664  """
2665  __ge__(Angle self, Angle o) -> bool
2666  __ge__(Angle self, Particle d) -> bool
2667  """
2668  return _IMP_atom.Angle___ge__(self, *args)
2669 
2670 
2671  def __gt__(self, *args):
2672  """
2673  __gt__(Angle self, Angle o) -> bool
2674  __gt__(Angle self, Particle d) -> bool
2675  """
2676  return _IMP_atom.Angle___gt__(self, *args)
2677 
2678 
2679  def __hash__(self):
2680  """__hash__(Angle self) -> std::size_t"""
2681  return _IMP_atom.Angle___hash__(self)
2682 
2683 
2684  def __str__(self):
2685  """__str__(Angle self) -> std::string"""
2686  return _IMP_atom.Angle___str__(self)
2687 
2688 
2689  def __repr__(self):
2690  """__repr__(Angle self) -> std::string"""
2691  return _IMP_atom.Angle___repr__(self)
2692 
2693  __swig_destroy__ = _IMP_atom.delete_Angle
2694  __del__ = lambda self: None
2695 Angle_swigregister = _IMP_atom.Angle_swigregister
2696 Angle_swigregister(Angle)
2697 
2698 def Angle_setup_particle(*args):
2699  """
2700  setup_particle(Model m, ParticleIndex pi, XYZ a, XYZ b, XYZ c) -> Angle
2701  Angle_setup_particle(_ParticleAdaptor decorator, XYZ a, XYZ b, XYZ c) -> Angle
2702  """
2703  return _IMP_atom.Angle_setup_particle(*args)
2704 
2705 def Angle_get_is_setup(*args):
2706  """
2707  get_is_setup(_ParticleAdaptor p) -> bool
2708  Angle_get_is_setup(Model m, ParticleIndex pi) -> bool
2709  """
2710  return _IMP_atom.Angle_get_is_setup(*args)
2711 
2712 def Angle_get_particle_key(i):
2713  """Angle_get_particle_key(unsigned int i) -> ParticleIndexKey"""
2714  return _IMP_atom.Angle_get_particle_key(i)
2715 
2716 def Angle_get_ideal_key():
2717  """Angle_get_ideal_key() -> FloatKey"""
2718  return _IMP_atom.Angle_get_ideal_key()
2719 
2720 def Angle_get_stiffness_key():
2721  """Angle_get_stiffness_key() -> FloatKey"""
2722  return _IMP_atom.Angle_get_stiffness_key()
2723 
2724 class Dihedral(IMP.Decorator):
2725  """Proxy of C++ IMP::atom::Dihedral class"""
2726  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2727 
2728  def __init__(self, *args):
2729  """
2730  __init__(IMP::atom::Dihedral self) -> Dihedral
2731  __init__(IMP::atom::Dihedral self, Model m, ParticleIndex id) -> Dihedral
2732  __init__(IMP::atom::Dihedral self, _ParticleAdaptor d) -> Dihedral
2733  """
2734  this = _IMP_atom.new_Dihedral(*args)
2735  try:
2736  self.this.append(this)
2737  except:
2738  self.this = this
2739 
2740  def show(self, *args):
2741  """
2742  show(Dihedral self, _ostream out)
2743  show(Dihedral self)
2744  """
2745  return _IMP_atom.Dihedral_show(self, *args)
2746 
2747 
2748  def setup_particle(*args):
2749  """
2750  setup_particle(Model m, ParticleIndex pi, XYZ a, XYZ b, XYZ c, XYZ d) -> Dihedral
2751  setup_particle(_ParticleAdaptor decorator, XYZ a, XYZ b, XYZ c, XYZ d) -> Dihedral
2752  """
2753  return _IMP_atom.Dihedral_setup_particle(*args)
2754 
2755  setup_particle = staticmethod(setup_particle)
2756 
2757  def get_is_setup(*args):
2758  """
2759  get_is_setup(_ParticleAdaptor p) -> bool
2760  get_is_setup(Model m, ParticleIndex pi) -> bool
2761  """
2762  return _IMP_atom.Dihedral_get_is_setup(*args)
2763 
2764  get_is_setup = staticmethod(get_is_setup)
2765 
2766  def get_particle(self, *args):
2767  """
2768  get_particle(Dihedral self) -> Particle
2769  get_particle(Dihedral self, unsigned int i) -> Particle
2770  """
2771  return _IMP_atom.Dihedral_get_particle(self, *args)
2772 
2773 
2774  def get_ideal(self):
2775  """get_ideal(Dihedral self) -> IMP::Float"""
2776  return _IMP_atom.Dihedral_get_ideal(self)
2777 
2778 
2779  def set_ideal(self, t):
2780  """set_ideal(Dihedral self, IMP::Float t)"""
2781  return _IMP_atom.Dihedral_set_ideal(self, t)
2782 
2783 
2784  def get_multiplicity(self):
2785  """get_multiplicity(Dihedral self) -> IMP::Int"""
2786  return _IMP_atom.Dihedral_get_multiplicity(self)
2787 
2788 
2789  def set_multiplicity(self, t):
2790  """set_multiplicity(Dihedral self, IMP::Int t)"""
2791  return _IMP_atom.Dihedral_set_multiplicity(self, t)
2792 
2793 
2794  def get_stiffness(self):
2795  """get_stiffness(Dihedral self) -> IMP::Float"""
2796  return _IMP_atom.Dihedral_get_stiffness(self)
2797 
2798 
2799  def set_stiffness(self, t):
2800  """set_stiffness(Dihedral self, IMP::Float t)"""
2801  return _IMP_atom.Dihedral_set_stiffness(self, t)
2802 
2803 
2804  def get_particle_key(i):
2805  """get_particle_key(unsigned int i) -> ParticleIndexKey"""
2806  return _IMP_atom.Dihedral_get_particle_key(i)
2807 
2808  get_particle_key = staticmethod(get_particle_key)
2809 
2810  def get_ideal_key():
2811  """get_ideal_key() -> FloatKey"""
2812  return _IMP_atom.Dihedral_get_ideal_key()
2813 
2814  get_ideal_key = staticmethod(get_ideal_key)
2815 
2816  def get_multiplicity_key():
2817  """get_multiplicity_key() -> IntKey"""
2818  return _IMP_atom.Dihedral_get_multiplicity_key()
2819 
2820  get_multiplicity_key = staticmethod(get_multiplicity_key)
2821 
2822  def get_stiffness_key():
2823  """get_stiffness_key() -> FloatKey"""
2824  return _IMP_atom.Dihedral_get_stiffness_key()
2825 
2826  get_stiffness_key = staticmethod(get_stiffness_key)
2827 
2828  def add_attribute(self, *args):
2829  """
2830  add_attribute(Dihedral self, FloatKey k, IMP::Float v, bool opt)
2831  add_attribute(Dihedral self, FloatKey a0, IMP::Float a1)
2832  add_attribute(Dihedral self, IntKey a0, IMP::Int a1)
2833  add_attribute(Dihedral self, FloatsKey a0, IMP::Floats a1)
2834  add_attribute(Dihedral self, IntsKey a0, IMP::Ints a1)
2835  add_attribute(Dihedral self, StringKey a0, IMP::String a1)
2836  add_attribute(Dihedral self, ParticleIndexKey a0, Particle a1)
2837  add_attribute(Dihedral self, ObjectKey a0, Object a1)
2838  """
2839  return _IMP_atom.Dihedral_add_attribute(self, *args)
2840 
2841 
2842  def get_value(self, *args):
2843  """
2844  get_value(Dihedral self, FloatKey a0) -> IMP::Float
2845  get_value(Dihedral self, IntKey a0) -> IMP::Int
2846  get_value(Dihedral self, FloatsKey a0) -> IMP::Floats
2847  get_value(Dihedral self, IntsKey a0) -> IMP::Ints
2848  get_value(Dihedral self, StringKey a0) -> IMP::String
2849  get_value(Dihedral self, ParticleIndexKey a0) -> Particle
2850  get_value(Dihedral self, ObjectKey a0) -> Object
2851  """
2852  return _IMP_atom.Dihedral_get_value(self, *args)
2853 
2854 
2855  def set_value(self, *args):
2856  """
2857  set_value(Dihedral self, FloatKey a0, IMP::Float a1)
2858  set_value(Dihedral self, IntKey a0, IMP::Int a1)
2859  set_value(Dihedral self, FloatsKey a0, IMP::Floats a1)
2860  set_value(Dihedral self, IntsKey a0, IMP::Ints a1)
2861  set_value(Dihedral self, StringKey a0, IMP::String a1)
2862  set_value(Dihedral self, ParticleIndexKey a0, Particle a1)
2863  set_value(Dihedral self, ObjectKey a0, Object a1)
2864  """
2865  return _IMP_atom.Dihedral_set_value(self, *args)
2866 
2867 
2868  def remove_attribute(self, *args):
2869  """
2870  remove_attribute(Dihedral self, FloatKey a0)
2871  remove_attribute(Dihedral self, IntKey a0)
2872  remove_attribute(Dihedral self, FloatsKey a0)
2873  remove_attribute(Dihedral self, IntsKey a0)
2874  remove_attribute(Dihedral self, StringKey a0)
2875  remove_attribute(Dihedral self, ParticleIndexKey a0)
2876  remove_attribute(Dihedral self, ObjectKey a0)
2877  """
2878  return _IMP_atom.Dihedral_remove_attribute(self, *args)
2879 
2880 
2881  def has_attribute(self, *args):
2882  """
2883  has_attribute(Dihedral self, FloatKey a0) -> bool
2884  has_attribute(Dihedral self, IntKey a0) -> bool
2885  has_attribute(Dihedral self, FloatsKey a0) -> bool
2886  has_attribute(Dihedral self, IntsKey a0) -> bool
2887  has_attribute(Dihedral self, StringKey a0) -> bool
2888  has_attribute(Dihedral self, ParticleIndexKey a0) -> bool
2889  has_attribute(Dihedral self, ObjectKey a0) -> bool
2890  """
2891  return _IMP_atom.Dihedral_has_attribute(self, *args)
2892 
2893 
2894  def get_derivative(self, a0):
2895  """get_derivative(Dihedral self, FloatKey a0) -> double"""
2896  return _IMP_atom.Dihedral_get_derivative(self, a0)
2897 
2898 
2899  def get_name(self):
2900  """get_name(Dihedral self) -> std::string"""
2901  return _IMP_atom.Dihedral_get_name(self)
2902 
2903 
2904  def clear_caches(self):
2905  """clear_caches(Dihedral self)"""
2906  return _IMP_atom.Dihedral_clear_caches(self)
2907 
2908 
2909  def set_name(self, a0):
2910  """set_name(Dihedral self, std::string a0)"""
2911  return _IMP_atom.Dihedral_set_name(self, a0)
2912 
2913 
2914  def set_check_level(self, a0):
2915  """set_check_level(Dihedral self, IMP::CheckLevel a0)"""
2916  return _IMP_atom.Dihedral_set_check_level(self, a0)
2917 
2918 
2919  def add_to_derivative(self, a0, a1, a2):
2920  """add_to_derivative(Dihedral self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2921  return _IMP_atom.Dihedral_add_to_derivative(self, a0, a1, a2)
2922 
2923 
2924  def set_is_optimized(self, a0, a1):
2925  """set_is_optimized(Dihedral self, FloatKey a0, bool a1)"""
2926  return _IMP_atom.Dihedral_set_is_optimized(self, a0, a1)
2927 
2928 
2929  def get_is_optimized(self, a0):
2930  """get_is_optimized(Dihedral self, FloatKey a0) -> bool"""
2931  return _IMP_atom.Dihedral_get_is_optimized(self, a0)
2932 
2933 
2934  def get_check_level(self):
2935  """get_check_level(Dihedral self) -> IMP::CheckLevel"""
2936  return _IMP_atom.Dihedral_get_check_level(self)
2937 
2938 
2939  def __eq__(self, *args):
2940  """
2941  __eq__(Dihedral self, Dihedral o) -> bool
2942  __eq__(Dihedral self, Particle d) -> bool
2943  """
2944  return _IMP_atom.Dihedral___eq__(self, *args)
2945 
2946 
2947  def __ne__(self, *args):
2948  """
2949  __ne__(Dihedral self, Dihedral o) -> bool
2950  __ne__(Dihedral self, Particle d) -> bool
2951  """
2952  return _IMP_atom.Dihedral___ne__(self, *args)
2953 
2954 
2955  def __le__(self, *args):
2956  """
2957  __le__(Dihedral self, Dihedral o) -> bool
2958  __le__(Dihedral self, Particle d) -> bool
2959  """
2960  return _IMP_atom.Dihedral___le__(self, *args)
2961 
2962 
2963  def __lt__(self, *args):
2964  """
2965  __lt__(Dihedral self, Dihedral o) -> bool
2966  __lt__(Dihedral self, Particle d) -> bool
2967  """
2968  return _IMP_atom.Dihedral___lt__(self, *args)
2969 
2970 
2971  def __ge__(self, *args):
2972  """
2973  __ge__(Dihedral self, Dihedral o) -> bool
2974  __ge__(Dihedral self, Particle d) -> bool
2975  """
2976  return _IMP_atom.Dihedral___ge__(self, *args)
2977 
2978 
2979  def __gt__(self, *args):
2980  """
2981  __gt__(Dihedral self, Dihedral o) -> bool
2982  __gt__(Dihedral self, Particle d) -> bool
2983  """
2984  return _IMP_atom.Dihedral___gt__(self, *args)
2985 
2986 
2987  def __hash__(self):
2988  """__hash__(Dihedral self) -> std::size_t"""
2989  return _IMP_atom.Dihedral___hash__(self)
2990 
2991 
2992  def __str__(self):
2993  """__str__(Dihedral self) -> std::string"""
2994  return _IMP_atom.Dihedral___str__(self)
2995 
2996 
2997  def __repr__(self):
2998  """__repr__(Dihedral self) -> std::string"""
2999  return _IMP_atom.Dihedral___repr__(self)
3000 
3001  __swig_destroy__ = _IMP_atom.delete_Dihedral
3002  __del__ = lambda self: None
3003 Dihedral_swigregister = _IMP_atom.Dihedral_swigregister
3004 Dihedral_swigregister(Dihedral)
3005 
3006 def Dihedral_setup_particle(*args):
3007  """
3008  setup_particle(Model m, ParticleIndex pi, XYZ a, XYZ b, XYZ c, XYZ d) -> Dihedral
3009  Dihedral_setup_particle(_ParticleAdaptor decorator, XYZ a, XYZ b, XYZ c, XYZ d) -> Dihedral
3010  """
3011  return _IMP_atom.Dihedral_setup_particle(*args)
3012 
3013 def Dihedral_get_is_setup(*args):
3014  """
3015  get_is_setup(_ParticleAdaptor p) -> bool
3016  Dihedral_get_is_setup(Model m, ParticleIndex pi) -> bool
3017  """
3018  return _IMP_atom.Dihedral_get_is_setup(*args)
3019 
3020 def Dihedral_get_particle_key(i):
3021  """Dihedral_get_particle_key(unsigned int i) -> ParticleIndexKey"""
3022  return _IMP_atom.Dihedral_get_particle_key(i)
3023 
3024 def Dihedral_get_ideal_key():
3025  """Dihedral_get_ideal_key() -> FloatKey"""
3026  return _IMP_atom.Dihedral_get_ideal_key()
3027 
3028 def Dihedral_get_multiplicity_key():
3029  """Dihedral_get_multiplicity_key() -> IntKey"""
3030  return _IMP_atom.Dihedral_get_multiplicity_key()
3031 
3032 def Dihedral_get_stiffness_key():
3033  """Dihedral_get_stiffness_key() -> FloatKey"""
3034  return _IMP_atom.Dihedral_get_stiffness_key()
3035 
3036 class SmoothingFunction(IMP.Object):
3037  """Proxy of C++ IMP::atom::SmoothingFunction class"""
3038  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3039 
3040  def __init__(self, *args, **kwargs):
3041  raise AttributeError("No constructor defined - class is abstract")
3042 
3043  def __call__(self, *args):
3044  """
3045  __call__(SmoothingFunction self, double score, double distance) -> double
3046  __call__(SmoothingFunction self, double score, double deriv, double distance) -> IMP::DerivativePair
3047  """
3048  return _IMP_atom.SmoothingFunction___call__(self, *args)
3049 
3050  __swig_destroy__ = _IMP_atom.delete_SmoothingFunction
3051  __del__ = lambda self: None
3052 
3053  def __str__(self):
3054  """__str__(SmoothingFunction self) -> std::string"""
3055  return _IMP_atom.SmoothingFunction___str__(self)
3056 
3057 
3058  def __repr__(self):
3059  """__repr__(SmoothingFunction self) -> std::string"""
3060  return _IMP_atom.SmoothingFunction___repr__(self)
3061 
3062 
3063  @staticmethod
3064  def get_from(o):
3065  return _object_cast_to_SmoothingFunction(o)
3066 
3067 SmoothingFunction_swigregister = _IMP_atom.SmoothingFunction_swigregister
3068 SmoothingFunction_swigregister(SmoothingFunction)
3069 
3070 class ForceSwitch(SmoothingFunction):
3071  """Proxy of C++ IMP::atom::ForceSwitch class"""
3072  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3073 
3074  def __init__(self, min_distance, max_distance):
3075  """__init__(IMP::atom::ForceSwitch self, double min_distance, double max_distance) -> ForceSwitch"""
3076  this = _IMP_atom.new_ForceSwitch(min_distance, max_distance)
3077  try:
3078  self.this.append(this)
3079  except:
3080  self.this = this
3081 
3082  def __call__(self, *args):
3083  """
3084  __call__(ForceSwitch self, double score, double distance) -> double
3085  __call__(ForceSwitch self, double score, double deriv, double distance) -> IMP::DerivativePair
3086  """
3087  return _IMP_atom.ForceSwitch___call__(self, *args)
3088 
3089 
3090  def get_version_info(self):
3091  """get_version_info(ForceSwitch self) -> VersionInfo"""
3092  return _IMP_atom.ForceSwitch_get_version_info(self)
3093 
3094 
3095  def __str__(self):
3096  """__str__(ForceSwitch self) -> std::string"""
3097  return _IMP_atom.ForceSwitch___str__(self)
3098 
3099 
3100  def __repr__(self):
3101  """__repr__(ForceSwitch self) -> std::string"""
3102  return _IMP_atom.ForceSwitch___repr__(self)
3103 
3104 
3105  @staticmethod
3106  def get_from(o):
3107  return _object_cast_to_ForceSwitch(o)
3108 
3109 ForceSwitch_swigregister = _IMP_atom.ForceSwitch_swigregister
3110 ForceSwitch_swigregister(ForceSwitch)
3111 
3112 class AngleSingletonScore(IMP.SingletonScore):
3113  """Proxy of C++ IMP::atom::AngleSingletonScore class"""
3114  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3115 
3116  def __init__(self, f):
3117  """__init__(IMP::atom::AngleSingletonScore self, UnaryFunction f) -> AngleSingletonScore"""
3118  this = _IMP_atom.new_AngleSingletonScore(f)
3119  try:
3120  self.this.append(this)
3121  except:
3122  self.this = this
3123 
3124  def do_get_inputs(self, m, pis):
3125  """do_get_inputs(AngleSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3126  return _IMP_atom.AngleSingletonScore_do_get_inputs(self, m, pis)
3127 
3128 
3129  def get_version_info(self):
3130  """get_version_info(AngleSingletonScore self) -> VersionInfo"""
3131  return _IMP_atom.AngleSingletonScore_get_version_info(self)
3132 
3133 
3134  def __str__(self):
3135  """__str__(AngleSingletonScore self) -> std::string"""
3136  return _IMP_atom.AngleSingletonScore___str__(self)
3137 
3138 
3139  def __repr__(self):
3140  """__repr__(AngleSingletonScore self) -> std::string"""
3141  return _IMP_atom.AngleSingletonScore___repr__(self)
3142 
3143 
3144  @staticmethod
3145  def get_from(o):
3146  return _object_cast_to_AngleSingletonScore(o)
3147 
3148 AngleSingletonScore_swigregister = _IMP_atom.AngleSingletonScore_swigregister
3149 AngleSingletonScore_swigregister(AngleSingletonScore)
3150 
3151 class BondEndpointsRefiner(IMP.Refiner):
3152  """Proxy of C++ IMP::atom::BondEndpointsRefiner class"""
3153  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3154 
3155  def __init__(self):
3156  """__init__(IMP::atom::BondEndpointsRefiner self) -> BondEndpointsRefiner"""
3157  this = _IMP_atom.new_BondEndpointsRefiner()
3158  try:
3159  self.this.append(this)
3160  except:
3161  self.this = this
3162 
3163  def do_get_inputs(self, m, pis):
3164  """do_get_inputs(BondEndpointsRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3165  return _IMP_atom.BondEndpointsRefiner_do_get_inputs(self, m, pis)
3166 
3167 
3168  def get_version_info(self):
3169  """get_version_info(BondEndpointsRefiner self) -> VersionInfo"""
3170  return _IMP_atom.BondEndpointsRefiner_get_version_info(self)
3171 
3172 
3173  def __str__(self):
3174  """__str__(BondEndpointsRefiner self) -> std::string"""
3175  return _IMP_atom.BondEndpointsRefiner___str__(self)
3176 
3177 
3178  def __repr__(self):
3179  """__repr__(BondEndpointsRefiner self) -> std::string"""
3180  return _IMP_atom.BondEndpointsRefiner___repr__(self)
3181 
3182 
3183  @staticmethod
3184  def get_from(o):
3185  return _object_cast_to_BondEndpointsRefiner(o)
3186 
3187 BondEndpointsRefiner_swigregister = _IMP_atom.BondEndpointsRefiner_swigregister
3188 BondEndpointsRefiner_swigregister(BondEndpointsRefiner)
3189 
3190 class BondPairContainer(IMP.PairContainer):
3191  """Proxy of C++ IMP::atom::BondPairContainer class"""
3192  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3193 
3194  def __init__(self, sc):
3195  """__init__(IMP::atom::BondPairContainer self, SingletonContainer sc) -> BondPairContainer"""
3196  this = _IMP_atom.new_BondPairContainer(sc)
3197  try:
3198  self.this.append(this)
3199  except:
3200  self.this = this
3201 
3202  def do_get_inputs(self):
3203  """do_get_inputs(BondPairContainer self) -> IMP::ModelObjectsTemp"""
3204  return _IMP_atom.BondPairContainer_do_get_inputs(self)
3205 
3206 
3207  def do_apply(self, sm):
3208  """do_apply(BondPairContainer self, PairModifier sm)"""
3209  return _IMP_atom.BondPairContainer_do_apply(self, sm)
3210 
3211 
3212  def do_apply_moved(self, sm, moved_pis, reset_pis):
3213  """do_apply_moved(BondPairContainer self, PairModifier sm, IMP::ParticleIndexes const & moved_pis, IMP::ParticleIndexes const & reset_pis)"""
3214  return _IMP_atom.BondPairContainer_do_apply_moved(self, sm, moved_pis, reset_pis)
3215 
3216 
3217  def get_version_info(self):
3218  """get_version_info(BondPairContainer self) -> VersionInfo"""
3219  return _IMP_atom.BondPairContainer_get_version_info(self)
3220 
3221 
3222  def __str__(self):
3223  """__str__(BondPairContainer self) -> std::string"""
3224  return _IMP_atom.BondPairContainer___str__(self)
3225 
3226 
3227  def __repr__(self):
3228  """__repr__(BondPairContainer self) -> std::string"""
3229  return _IMP_atom.BondPairContainer___repr__(self)
3230 
3231 
3232  @staticmethod
3233  def get_from(o):
3234  return _object_cast_to_BondPairContainer(o)
3235 
3236 BondPairContainer_swigregister = _IMP_atom.BondPairContainer_swigregister
3237 BondPairContainer_swigregister(BondPairContainer)
3238 
3239 class BondSingletonScore(IMP.SingletonScore):
3240  """Proxy of C++ IMP::atom::BondSingletonScore class"""
3241  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3242 
3243  def __init__(self, f):
3244  """__init__(IMP::atom::BondSingletonScore self, UnaryFunction f) -> BondSingletonScore"""
3245  this = _IMP_atom.new_BondSingletonScore(f)
3246  try:
3247  self.this.append(this)
3248  except:
3249  self.this = this
3250 
3251  def get_unary_function(self):
3252  """get_unary_function(BondSingletonScore self) -> UnaryFunction"""
3253  return _IMP_atom.BondSingletonScore_get_unary_function(self)
3254 
3255 
3256  def do_get_inputs(self, m, pis):
3257  """do_get_inputs(BondSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3258  return _IMP_atom.BondSingletonScore_do_get_inputs(self, m, pis)
3259 
3260 
3261  def get_version_info(self):
3262  """get_version_info(BondSingletonScore self) -> VersionInfo"""
3263  return _IMP_atom.BondSingletonScore_get_version_info(self)
3264 
3265 
3266  def __str__(self):
3267  """__str__(BondSingletonScore self) -> std::string"""
3268  return _IMP_atom.BondSingletonScore___str__(self)
3269 
3270 
3271  def __repr__(self):
3272  """__repr__(BondSingletonScore self) -> std::string"""
3273  return _IMP_atom.BondSingletonScore___repr__(self)
3274 
3275 
3276  @staticmethod
3277  def get_from(o):
3278  return _object_cast_to_BondSingletonScore(o)
3279 
3280 BondSingletonScore_swigregister = _IMP_atom.BondSingletonScore_swigregister
3281 BondSingletonScore_swigregister(BondSingletonScore)
3282 
3283 class DihedralSingletonScore(IMP.SingletonScore):
3284  """Proxy of C++ IMP::atom::DihedralSingletonScore class"""
3285  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3286 
3287  def __init__(self):
3288  """__init__(IMP::atom::DihedralSingletonScore self) -> DihedralSingletonScore"""
3289  this = _IMP_atom.new_DihedralSingletonScore()
3290  try:
3291  self.this.append(this)
3292  except:
3293  self.this = this
3294 
3295  def do_get_inputs(self, m, pis):
3296  """do_get_inputs(DihedralSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3297  return _IMP_atom.DihedralSingletonScore_do_get_inputs(self, m, pis)
3298 
3299 
3300  def get_version_info(self):
3301  """get_version_info(DihedralSingletonScore self) -> VersionInfo"""
3302  return _IMP_atom.DihedralSingletonScore_get_version_info(self)
3303 
3304 
3305  def __str__(self):
3306  """__str__(DihedralSingletonScore self) -> std::string"""
3307  return _IMP_atom.DihedralSingletonScore___str__(self)
3308 
3309 
3310  def __repr__(self):
3311  """__repr__(DihedralSingletonScore self) -> std::string"""
3312  return _IMP_atom.DihedralSingletonScore___repr__(self)
3313 
3314 
3315  @staticmethod
3316  def get_from(o):
3317  return _object_cast_to_DihedralSingletonScore(o)
3318 
3319 DihedralSingletonScore_swigregister = _IMP_atom.DihedralSingletonScore_swigregister
3320 DihedralSingletonScore_swigregister(DihedralSingletonScore)
3321 
3322 class ImproperSingletonScore(IMP.SingletonScore):
3323  """Proxy of C++ IMP::atom::ImproperSingletonScore class"""
3324  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3325 
3326  def __init__(self, f):
3327  """__init__(IMP::atom::ImproperSingletonScore self, UnaryFunction f) -> ImproperSingletonScore"""
3328  this = _IMP_atom.new_ImproperSingletonScore(f)
3329  try:
3330  self.this.append(this)
3331  except:
3332  self.this = this
3333 
3334  def do_get_inputs(self, m, pis):
3335  """do_get_inputs(ImproperSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3336  return _IMP_atom.ImproperSingletonScore_do_get_inputs(self, m, pis)
3337 
3338 
3339  def get_version_info(self):
3340  """get_version_info(ImproperSingletonScore self) -> VersionInfo"""
3341  return _IMP_atom.ImproperSingletonScore_get_version_info(self)
3342 
3343 
3344  def __str__(self):
3345  """__str__(ImproperSingletonScore self) -> std::string"""
3346  return _IMP_atom.ImproperSingletonScore___str__(self)
3347 
3348 
3349  def __repr__(self):
3350  """__repr__(ImproperSingletonScore self) -> std::string"""
3351  return _IMP_atom.ImproperSingletonScore___repr__(self)
3352 
3353 
3354  @staticmethod
3355  def get_from(o):
3356  return _object_cast_to_ImproperSingletonScore(o)
3357 
3358 ImproperSingletonScore_swigregister = _IMP_atom.ImproperSingletonScore_swigregister
3359 ImproperSingletonScore_swigregister(ImproperSingletonScore)
3360 
3361 class CenterOfMass(IMP.Decorator):
3362  """Proxy of C++ IMP::atom::CenterOfMass class"""
3363  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3364 
3365  def get_constraint(self):
3366  """get_constraint(CenterOfMass self) -> Constraint"""
3367  return _IMP_atom.CenterOfMass_get_constraint(self)
3368 
3369 
3370  def get_mass(self):
3371  """get_mass(CenterOfMass self) -> IMP::Float"""
3372  return _IMP_atom.CenterOfMass_get_mass(self)
3373 
3374 
3375  def get_coordinate(self, i):
3376  """get_coordinate(CenterOfMass self, int i) -> IMP::Float"""
3377  return _IMP_atom.CenterOfMass_get_coordinate(self, i)
3378 
3379 
3380  def get_coordinates(self):
3381  """get_coordinates(CenterOfMass self) -> Vector3D"""
3382  return _IMP_atom.CenterOfMass_get_coordinates(self)
3383 
3384 
3385  def __init__(self, *args):
3386  """
3387  __init__(IMP::atom::CenterOfMass self) -> CenterOfMass
3388  __init__(IMP::atom::CenterOfMass self, Model m, ParticleIndex id) -> CenterOfMass
3389  __init__(IMP::atom::CenterOfMass self, _ParticleAdaptor d) -> CenterOfMass
3390  """
3391  this = _IMP_atom.new_CenterOfMass(*args)
3392  try:
3393  self.this.append(this)
3394  except:
3395  self.this = this
3396 
3397  def show(self, *args):
3398  """
3399  show(CenterOfMass self, _ostream out)
3400  show(CenterOfMass self)
3401  """
3402  return _IMP_atom.CenterOfMass_show(self, *args)
3403 
3404 
3405  def setup_particle(*args):
3406  """
3407  setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> CenterOfMass
3408  setup_particle(_ParticleAdaptor decorator, _ParticleIndexesAdaptor members) -> CenterOfMass
3409  setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> CenterOfMass
3410  setup_particle(_ParticleAdaptor decorator, Refiner refiner) -> CenterOfMass
3411  """
3412  return _IMP_atom.CenterOfMass_setup_particle(*args)
3413 
3414  setup_particle = staticmethod(setup_particle)
3415 
3416  def teardown_particle(com):
3417  """teardown_particle(CenterOfMass com)"""
3418  return _IMP_atom.CenterOfMass_teardown_particle(com)
3419 
3420  teardown_particle = staticmethod(teardown_particle)
3421 
3422  def get_is_setup(*args):
3423  """
3424  get_is_setup(_ParticleAdaptor p) -> bool
3425  get_is_setup(Model m, ParticleIndex pi) -> bool
3426  """
3427  return _IMP_atom.CenterOfMass_get_is_setup(*args)
3428 
3429  get_is_setup = staticmethod(get_is_setup)
3430 
3431  def add_attribute(self, *args):
3432  """
3433  add_attribute(CenterOfMass self, FloatKey k, IMP::Float v, bool opt)
3434  add_attribute(CenterOfMass self, FloatKey a0, IMP::Float a1)
3435  add_attribute(CenterOfMass self, IntKey a0, IMP::Int a1)
3436  add_attribute(CenterOfMass self, FloatsKey a0, IMP::Floats a1)
3437  add_attribute(CenterOfMass self, IntsKey a0, IMP::Ints a1)
3438  add_attribute(CenterOfMass self, StringKey a0, IMP::String a1)
3439  add_attribute(CenterOfMass self, ParticleIndexKey a0, Particle a1)
3440  add_attribute(CenterOfMass self, ObjectKey a0, Object a1)
3441  """
3442  return _IMP_atom.CenterOfMass_add_attribute(self, *args)
3443 
3444 
3445  def get_value(self, *args):
3446  """
3447  get_value(CenterOfMass self, FloatKey a0) -> IMP::Float
3448  get_value(CenterOfMass self, IntKey a0) -> IMP::Int
3449  get_value(CenterOfMass self, FloatsKey a0) -> IMP::Floats
3450  get_value(CenterOfMass self, IntsKey a0) -> IMP::Ints
3451  get_value(CenterOfMass self, StringKey a0) -> IMP::String
3452  get_value(CenterOfMass self, ParticleIndexKey a0) -> Particle
3453  get_value(CenterOfMass self, ObjectKey a0) -> Object
3454  """
3455  return _IMP_atom.CenterOfMass_get_value(self, *args)
3456 
3457 
3458  def set_value(self, *args):
3459  """
3460  set_value(CenterOfMass self, FloatKey a0, IMP::Float a1)
3461  set_value(CenterOfMass self, IntKey a0, IMP::Int a1)
3462  set_value(CenterOfMass self, FloatsKey a0, IMP::Floats a1)
3463  set_value(CenterOfMass self, IntsKey a0, IMP::Ints a1)
3464  set_value(CenterOfMass self, StringKey a0, IMP::String a1)
3465  set_value(CenterOfMass self, ParticleIndexKey a0, Particle a1)
3466  set_value(CenterOfMass self, ObjectKey a0, Object a1)
3467  """
3468  return _IMP_atom.CenterOfMass_set_value(self, *args)
3469 
3470 
3471  def remove_attribute(self, *args):
3472  """
3473  remove_attribute(CenterOfMass self, FloatKey a0)
3474  remove_attribute(CenterOfMass self, IntKey a0)
3475  remove_attribute(CenterOfMass self, FloatsKey a0)
3476  remove_attribute(CenterOfMass self, IntsKey a0)
3477  remove_attribute(CenterOfMass self, StringKey a0)
3478  remove_attribute(CenterOfMass self, ParticleIndexKey a0)
3479  remove_attribute(CenterOfMass self, ObjectKey a0)
3480  """
3481  return _IMP_atom.CenterOfMass_remove_attribute(self, *args)
3482 
3483 
3484  def has_attribute(self, *args):
3485  """
3486  has_attribute(CenterOfMass self, FloatKey a0) -> bool
3487  has_attribute(CenterOfMass self, IntKey a0) -> bool
3488  has_attribute(CenterOfMass self, FloatsKey a0) -> bool
3489  has_attribute(CenterOfMass self, IntsKey a0) -> bool
3490  has_attribute(CenterOfMass self, StringKey a0) -> bool
3491  has_attribute(CenterOfMass self, ParticleIndexKey a0) -> bool
3492  has_attribute(CenterOfMass self, ObjectKey a0) -> bool
3493  """
3494  return _IMP_atom.CenterOfMass_has_attribute(self, *args)
3495 
3496 
3497  def get_derivative(self, a0):
3498  """get_derivative(CenterOfMass self, FloatKey a0) -> double"""
3499  return _IMP_atom.CenterOfMass_get_derivative(self, a0)
3500 
3501 
3502  def get_name(self):
3503  """get_name(CenterOfMass self) -> std::string"""
3504  return _IMP_atom.CenterOfMass_get_name(self)
3505 
3506 
3507  def clear_caches(self):
3508  """clear_caches(CenterOfMass self)"""
3509  return _IMP_atom.CenterOfMass_clear_caches(self)
3510 
3511 
3512  def set_name(self, a0):
3513  """set_name(CenterOfMass self, std::string a0)"""
3514  return _IMP_atom.CenterOfMass_set_name(self, a0)
3515 
3516 
3517  def set_check_level(self, a0):
3518  """set_check_level(CenterOfMass self, IMP::CheckLevel a0)"""
3519  return _IMP_atom.CenterOfMass_set_check_level(self, a0)
3520 
3521 
3522  def add_to_derivative(self, a0, a1, a2):
3523  """add_to_derivative(CenterOfMass self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3524  return _IMP_atom.CenterOfMass_add_to_derivative(self, a0, a1, a2)
3525 
3526 
3527  def set_is_optimized(self, a0, a1):
3528  """set_is_optimized(CenterOfMass self, FloatKey a0, bool a1)"""
3529  return _IMP_atom.CenterOfMass_set_is_optimized(self, a0, a1)
3530 
3531 
3532  def get_is_optimized(self, a0):
3533  """get_is_optimized(CenterOfMass self, FloatKey a0) -> bool"""
3534  return _IMP_atom.CenterOfMass_get_is_optimized(self, a0)
3535 
3536 
3537  def get_check_level(self):
3538  """get_check_level(CenterOfMass self) -> IMP::CheckLevel"""
3539  return _IMP_atom.CenterOfMass_get_check_level(self)
3540 
3541 
3542  def __eq__(self, *args):
3543  """
3544  __eq__(CenterOfMass self, CenterOfMass o) -> bool
3545  __eq__(CenterOfMass self, Particle d) -> bool
3546  """
3547  return _IMP_atom.CenterOfMass___eq__(self, *args)
3548 
3549 
3550  def __ne__(self, *args):
3551  """
3552  __ne__(CenterOfMass self, CenterOfMass o) -> bool
3553  __ne__(CenterOfMass self, Particle d) -> bool
3554  """
3555  return _IMP_atom.CenterOfMass___ne__(self, *args)
3556 
3557 
3558  def __le__(self, *args):
3559  """
3560  __le__(CenterOfMass self, CenterOfMass o) -> bool
3561  __le__(CenterOfMass self, Particle d) -> bool
3562  """
3563  return _IMP_atom.CenterOfMass___le__(self, *args)
3564 
3565 
3566  def __lt__(self, *args):
3567  """
3568  __lt__(CenterOfMass self, CenterOfMass o) -> bool
3569  __lt__(CenterOfMass self, Particle d) -> bool
3570  """
3571  return _IMP_atom.CenterOfMass___lt__(self, *args)
3572 
3573 
3574  def __ge__(self, *args):
3575  """
3576  __ge__(CenterOfMass self, CenterOfMass o) -> bool
3577  __ge__(CenterOfMass self, Particle d) -> bool
3578  """
3579  return _IMP_atom.CenterOfMass___ge__(self, *args)
3580 
3581 
3582  def __gt__(self, *args):
3583  """
3584  __gt__(CenterOfMass self, CenterOfMass o) -> bool
3585  __gt__(CenterOfMass self, Particle d) -> bool
3586  """
3587  return _IMP_atom.CenterOfMass___gt__(self, *args)
3588 
3589 
3590  def __hash__(self):
3591  """__hash__(CenterOfMass self) -> std::size_t"""
3592  return _IMP_atom.CenterOfMass___hash__(self)
3593 
3594 
3595  def __str__(self):
3596  """__str__(CenterOfMass self) -> std::string"""
3597  return _IMP_atom.CenterOfMass___str__(self)
3598 
3599 
3600  def __repr__(self):
3601  """__repr__(CenterOfMass self) -> std::string"""
3602  return _IMP_atom.CenterOfMass___repr__(self)
3603 
3604  __swig_destroy__ = _IMP_atom.delete_CenterOfMass
3605  __del__ = lambda self: None
3606 CenterOfMass_swigregister = _IMP_atom.CenterOfMass_swigregister
3607 CenterOfMass_swigregister(CenterOfMass)
3608 
3609 def CenterOfMass_setup_particle(*args):
3610  """
3611  setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> CenterOfMass
3612  setup_particle(_ParticleAdaptor decorator, _ParticleIndexesAdaptor members) -> CenterOfMass
3613  setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> CenterOfMass
3614  CenterOfMass_setup_particle(_ParticleAdaptor decorator, Refiner refiner) -> CenterOfMass
3615  """
3616  return _IMP_atom.CenterOfMass_setup_particle(*args)
3617 
3618 def CenterOfMass_teardown_particle(com):
3619  """CenterOfMass_teardown_particle(CenterOfMass com)"""
3620  return _IMP_atom.CenterOfMass_teardown_particle(com)
3621 
3622 def CenterOfMass_get_is_setup(*args):
3623  """
3624  get_is_setup(_ParticleAdaptor p) -> bool
3625  CenterOfMass_get_is_setup(Model m, ParticleIndex pi) -> bool
3626  """
3627  return _IMP_atom.CenterOfMass_get_is_setup(*args)
3628 
3629 class CoverBond(IMP.SingletonModifier):
3630  """Proxy of C++ IMP::atom::CoverBond class"""
3631  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3632 
3633  def __init__(self):
3634  """__init__(IMP::atom::CoverBond self) -> CoverBond"""
3635  this = _IMP_atom.new_CoverBond()
3636  try:
3637  self.this.append(this)
3638  except:
3639  self.this = this
3640 
3641  def do_get_inputs(self, m, pis):
3642  """do_get_inputs(CoverBond self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3643  return _IMP_atom.CoverBond_do_get_inputs(self, m, pis)
3644 
3645 
3646  def do_get_outputs(self, m, pis):
3647  """do_get_outputs(CoverBond self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3648  return _IMP_atom.CoverBond_do_get_outputs(self, m, pis)
3649 
3650 
3651  def get_version_info(self):
3652  """get_version_info(CoverBond self) -> VersionInfo"""
3653  return _IMP_atom.CoverBond_get_version_info(self)
3654 
3655 
3656  def __str__(self):
3657  """__str__(CoverBond self) -> std::string"""
3658  return _IMP_atom.CoverBond___str__(self)
3659 
3660 
3661  def __repr__(self):
3662  """__repr__(CoverBond self) -> std::string"""
3663  return _IMP_atom.CoverBond___repr__(self)
3664 
3665 
3666  @staticmethod
3667  def get_from(o):
3668  return _object_cast_to_CoverBond(o)
3669 
3670 CoverBond_swigregister = _IMP_atom.CoverBond_swigregister
3671 CoverBond_swigregister(CoverBond)
3672 
3673 class Simulator(IMP.Optimizer):
3674  """Proxy of C++ IMP::atom::Simulator class"""
3675  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3676 
3677  def __init__(self, *args):
3678  """
3679  __init__(IMP::atom::Simulator self, Model m, std::string name, double wave_factor=1.0) -> Simulator
3680  __init__(IMP::atom::Simulator self, Model m, std::string name) -> Simulator
3681  __init__(IMP::atom::Simulator self, Model m) -> Simulator
3682  """
3683  if self.__class__ == Simulator:
3684  _self = None
3685  else:
3686  _self = self
3687  this = _IMP_atom.new_Simulator(_self, *args)
3688  try:
3689  self.this.append(this)
3690  except:
3691  self.this = this
3692 
3693  if self.__class__ != Simulator:
3694  _director_objects.register(self)
3695 
3696 
3697 
3698 
3699  def simulate(self, time_in_fs):
3700  """simulate(Simulator self, double time_in_fs) -> double"""
3701  return _IMP_atom.Simulator_simulate(self, time_in_fs)
3702 
3703 
3704  def simulate_wave(self, time_in_fs, max_time_step_factor=10.0, base=1.5):
3705  """
3706  simulate_wave(Simulator self, double time_in_fs, double max_time_step_factor=10.0, double base=1.5) -> double
3707  simulate_wave(Simulator self, double time_in_fs, double max_time_step_factor=10.0) -> double
3708  simulate_wave(Simulator self, double time_in_fs) -> double
3709  """
3710  return _IMP_atom.Simulator_simulate_wave(self, time_in_fs, max_time_step_factor, base)
3711 
3712 
3713  def get_temperature(self):
3714  """get_temperature(Simulator self) -> double"""
3715  return _IMP_atom.Simulator_get_temperature(self)
3716 
3717 
3718  def set_temperature(self, d):
3719  """set_temperature(Simulator self, double d)"""
3720  return _IMP_atom.Simulator_set_temperature(self, d)
3721 
3722 
3723  def set_maximum_time_step(self, ts):
3724  """set_maximum_time_step(Simulator self, double ts)"""
3725  return _IMP_atom.Simulator_set_maximum_time_step(self, ts)
3726 
3727 
3728  def get_maximum_time_step(self):
3729  """get_maximum_time_step(Simulator self) -> double"""
3730  return _IMP_atom.Simulator_get_maximum_time_step(self)
3731 
3732 
3733  def get_last_time_step(self):
3734  """get_last_time_step(Simulator self) -> double"""
3735  return _IMP_atom.Simulator_get_last_time_step(self)
3736 
3737 
3738  def set_time_step(self, ts):
3739  """set_time_step(Simulator self, double ts)"""
3740  return _IMP_atom.Simulator_set_time_step(self, ts)
3741 
3742 
3743  def get_kt(self):
3744  """get_kt(Simulator self) -> double"""
3745  return _IMP_atom.Simulator_get_kt(self)
3746 
3747 
3748  def get_current_time(self):
3749  """get_current_time(Simulator self) -> double"""
3750  return _IMP_atom.Simulator_get_current_time(self)
3751 
3752 
3753  def set_current_time(self, ct):
3754  """set_current_time(Simulator self, double ct)"""
3755  return _IMP_atom.Simulator_set_current_time(self, ct)
3756 
3757 
3758  def get_simulation_particles(self):
3759  """get_simulation_particles(Simulator self) -> IMP::ParticlesTemp"""
3760  return _IMP_atom.Simulator_get_simulation_particles(self)
3761 
3762 
3763  def get_simulation_particle_indexes(self):
3764  """get_simulation_particle_indexes(Simulator self) -> IMP::ParticleIndexes"""
3765  return _IMP_atom.Simulator_get_simulation_particle_indexes(self)
3766 
3767  def __get_particles(self): return IMP._list_util.VarList(getdimfunc=self.get_number_of_particles, getfunc=self.get_particle, erasefunc=self.erase_particle, appendfunc=self.add_particle, extendfunc=self.add_particles, clearfunc=self.clear_particles, indexfunc=self._python_index_particle)
3768  def __set_particles(self, obj): IMP._list_util.set_varlist(self.particles, obj)
3769  def __del_particles(self): IMP._list_util.del_varlist(self.particles)
3770  particles = property(__get_particles, __set_particles, __del_particles, doc="List of ##ucnames")
3771 
3772  def remove_particle(self, d):
3773  """remove_particle(Simulator self, Particle d)"""
3774  return _IMP_atom.Simulator_remove_particle(self, d)
3775 
3776 
3777  def _python_index_particle(self, d, start, stop):
3778  """_python_index_particle(Simulator self, Particle d, unsigned int start, unsigned int stop) -> unsigned int"""
3779  return _IMP_atom.Simulator__python_index_particle(self, d, start, stop)
3780 
3781 
3782  def remove_particles(self, d):
3783  """remove_particles(Simulator self, IMP::Particles const & d)"""
3784  return _IMP_atom.Simulator_remove_particles(self, d)
3785 
3786 
3787  def set_particles(self, ps):
3788  """set_particles(Simulator self, IMP::Particles const & ps)"""
3789  return _IMP_atom.Simulator_set_particles(self, ps)
3790 
3791 
3792  def set_particles_order(self, objs):
3793  """set_particles_order(Simulator self, IMP::Particles const & objs)"""
3794  return _IMP_atom.Simulator_set_particles_order(self, objs)
3795 
3796 
3797  def add_particle(self, obj):
3798  """add_particle(Simulator self, Particle obj) -> unsigned int"""
3799  return _IMP_atom.Simulator_add_particle(self, obj)
3800 
3801 
3802  def add_particles(self, objs):
3803  """add_particles(Simulator self, IMP::Particles const & objs)"""
3804  return _IMP_atom.Simulator_add_particles(self, objs)
3805 
3806 
3807  def clear_particles(self):
3808  """clear_particles(Simulator self)"""
3809  return _IMP_atom.Simulator_clear_particles(self)
3810 
3811 
3812  def get_number_of_particles(self):
3813  """get_number_of_particles(Simulator self) -> unsigned int"""
3814  return _IMP_atom.Simulator_get_number_of_particles(self)
3815 
3816 
3817  def get_has_particles(self):
3818  """get_has_particles(Simulator self) -> bool"""
3819  return _IMP_atom.Simulator_get_has_particles(self)
3820 
3821 
3822  def get_particle(self, i):
3823  """get_particle(Simulator self, unsigned int i) -> Particle"""
3824  return _IMP_atom.Simulator_get_particle(self, i)
3825 
3826 
3827  def get_particles(self):
3828  """get_particles(Simulator self) -> IMP::Particles"""
3829  return _IMP_atom.Simulator_get_particles(self)
3830 
3831 
3832  def erase_particle(self, i):
3833  """erase_particle(Simulator self, unsigned int i)"""
3834  return _IMP_atom.Simulator_erase_particle(self, i)
3835 
3836 
3837  def reserve_particles(self, sz):
3838  """reserve_particles(Simulator self, unsigned int sz)"""
3839  return _IMP_atom.Simulator_reserve_particles(self, sz)
3840 
3841 
3842  def do_optimize(self, max_steps):
3843  """do_optimize(Simulator self, unsigned int max_steps) -> IMP::Float"""
3844  return _IMP_atom.Simulator_do_optimize(self, max_steps)
3845 
3846 
3847  def setup(self, arg0):
3848  """setup(Simulator self, IMP::ParticleIndexes const & arg0)"""
3849  return _IMP_atom.Simulator_setup(self, arg0)
3850 
3851 
3852  def do_step(self, sc, dt):
3853  """do_step(Simulator self, IMP::ParticleIndexes const & sc, double dt) -> double"""
3854  return _IMP_atom.Simulator_do_step(self, sc, dt)
3855 
3856 
3857  def get_is_simulation_particle(self, p):
3858  """get_is_simulation_particle(Simulator self, ParticleIndex p) -> bool"""
3859  return _IMP_atom.Simulator_get_is_simulation_particle(self, p)
3860 
3861 
3862  def do_simulate(self, time):
3863  """do_simulate(Simulator self, double time) -> double"""
3864  return _IMP_atom.Simulator_do_simulate(self, time)
3865 
3866 
3867  def do_simulate_wave(self, time_in_fs, max_time_step_factor=10.0, base=1.5):
3868  """
3869  do_simulate_wave(Simulator self, double time_in_fs, double max_time_step_factor=10.0, double base=1.5) -> double
3870  do_simulate_wave(Simulator self, double time_in_fs, double max_time_step_factor=10.0) -> double
3871  do_simulate_wave(Simulator self, double time_in_fs) -> double
3872  """
3873  return _IMP_atom.Simulator_do_simulate_wave(self, time_in_fs, max_time_step_factor, base)
3874 
3875 
3876  def __str__(self):
3877  """__str__(Simulator self) -> std::string"""
3878  return _IMP_atom.Simulator___str__(self)
3879 
3880 
3881  def __repr__(self):
3882  """__repr__(Simulator self) -> std::string"""
3883  return _IMP_atom.Simulator___repr__(self)
3884 
3885 
3886  @staticmethod
3887  def get_from(o):
3888  return _object_cast_to_Simulator(o)
3889 
3890 
3891  def get_type_name(self):
3892  return self.__class__.__name__
3893  def do_show(self, out):
3894  pass
3895  def get_version_info(self):
3896  if"IMP::atom" == "IMP":
3897  return VersionInfo(self.__module__,
3898  __import__(self.__module__).get_module_version())
3899  else:
3900  return IMP.VersionInfo(self.__module__,
3901  __import__(self.__module__).get_module_version())
3902  @staticmethod
3903  def get_from(o):
3904  return _object_cast_to_Simulator(o)
3905 
3906  __swig_destroy__ = _IMP_atom.delete_Simulator
3907  __del__ = lambda self: None
3908  def __disown__(self):
3909  self.this.disown()
3910  _IMP_atom.disown_Simulator(self)
3911  return weakref_proxy(self)
3912 
3913  def do_destroy(self):
3914  """do_destroy(Simulator self)"""
3915  return _IMP_atom.Simulator_do_destroy(self)
3916 
3917 
3918  def handle_set_has_required_score_states(self, arg0):
3919  """handle_set_has_required_score_states(Simulator self, bool arg0)"""
3920  return _IMP_atom.Simulator_handle_set_has_required_score_states(self, arg0)
3921 
3922 
3923  def do_get_inputs(self):
3924  """do_get_inputs(Simulator self) -> IMP::ModelObjectsTemp"""
3925  return _IMP_atom.Simulator_do_get_inputs(self)
3926 
3927 
3928  def do_get_outputs(self):
3929  """do_get_outputs(Simulator self) -> IMP::ModelObjectsTemp"""
3930  return _IMP_atom.Simulator_do_get_outputs(self)
3931 
3932 
3933  def do_get_interactions(self):
3934  """do_get_interactions(Simulator self) -> IMP::ModelObjectsTemps"""
3935  return _IMP_atom.Simulator_do_get_interactions(self)
3936 
3937 Simulator_swigregister = _IMP_atom.Simulator_swigregister
3938 Simulator_swigregister(Simulator)
3939 
3940 
3941 _IMP_atom.IMP_ATOM_DEFAULT_BD_RANDOM_POOL_SIZE_swigconstant(_IMP_atom)
3942 IMP_ATOM_DEFAULT_BD_RANDOM_POOL_SIZE = _IMP_atom.IMP_ATOM_DEFAULT_BD_RANDOM_POOL_SIZE
3943 class BrownianDynamics(Simulator):
3944  """Proxy of C++ IMP::atom::BrownianDynamics class"""
3945  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3946 
3947  def __init__(self, *args):
3948  """
3949  __init__(IMP::atom::BrownianDynamics self, Model m, std::string name, double wave_factor=1.0, unsigned int random_pool_size=10000) -> BrownianDynamics
3950  __init__(IMP::atom::BrownianDynamics self, Model m, std::string name, double wave_factor=1.0) -> BrownianDynamics
3951  __init__(IMP::atom::BrownianDynamics self, Model m, std::string name) -> BrownianDynamics
3952  __init__(IMP::atom::BrownianDynamics self, Model m) -> BrownianDynamics
3953  """
3954  this = _IMP_atom.new_BrownianDynamics(*args)
3955  try:
3956  self.this.append(this)
3957  except:
3958  self.this = this
3959 
3960  def set_maximum_move(self, ms_in_A):
3961  """set_maximum_move(BrownianDynamics self, double ms_in_A)"""
3962  return _IMP_atom.BrownianDynamics_set_maximum_move(self, ms_in_A)
3963 
3964 
3965  def set_use_stochastic_runge_kutta(self, tf):
3966  """set_use_stochastic_runge_kutta(BrownianDynamics self, bool tf)"""
3967  return _IMP_atom.BrownianDynamics_set_use_stochastic_runge_kutta(self, tf)
3968 
3969 
3970  def get_version_info(self):
3971  """get_version_info(BrownianDynamics self) -> VersionInfo"""
3972  return _IMP_atom.BrownianDynamics_get_version_info(self)
3973 
3974 
3975  def __str__(self):
3976  """__str__(BrownianDynamics self) -> std::string"""
3977  return _IMP_atom.BrownianDynamics___str__(self)
3978 
3979 
3980  def __repr__(self):
3981  """__repr__(BrownianDynamics self) -> std::string"""
3982  return _IMP_atom.BrownianDynamics___repr__(self)
3983 
3984 
3985  @staticmethod
3986  def get_from(o):
3987  return _object_cast_to_BrownianDynamics(o)
3988 
3989 BrownianDynamics_swigregister = _IMP_atom.BrownianDynamics_swigregister
3990 BrownianDynamics_swigregister(BrownianDynamics)
3991 
3992 
3994  """get_maximum_time_step_estimate(BrownianDynamics bd) -> double"""
3995  return _IMP_atom.get_maximum_time_step_estimate(bd)
3996 
3997 def get_harmonic_sigma(D, f):
3998  """get_harmonic_sigma(double D, double f) -> double"""
3999  return _IMP_atom.get_harmonic_sigma(D, f)
4000 class BrownianDynamicsTAMD(BrownianDynamics):
4001  """Proxy of C++ IMP::atom::BrownianDynamicsTAMD class"""
4002  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
4003 
4004  def __init__(self, *args):
4005  """
4006  __init__(IMP::atom::BrownianDynamicsTAMD self, Model m, std::string name, double wave_factor=1.0) -> BrownianDynamicsTAMD
4007  __init__(IMP::atom::BrownianDynamicsTAMD self, Model m, std::string name) -> BrownianDynamicsTAMD
4008  __init__(IMP::atom::BrownianDynamicsTAMD self, Model m) -> BrownianDynamicsTAMD
4009  """
4010  this = _IMP_atom.new_BrownianDynamicsTAMD(*args)
4011  try:
4012  self.this.append(this)
4013  except:
4014  self.this = this
4015 
4016  def __str__(self):
4017  """__str__(BrownianDynamicsTAMD self) -> std::string"""
4018  return _IMP_atom.BrownianDynamicsTAMD___str__(self)
4019 
4020 
4021  def __repr__(self):
4022  """__repr__(BrownianDynamicsTAMD self) -> std::string"""
4023  return _IMP_atom.BrownianDynamicsTAMD___repr__(self)
4024 
4025 
4026  @staticmethod
4027  def get_from(o):
4028  return _object_cast_to_BrownianDynamicsTAMD(o)
4029 
4030  __swig_destroy__ = _IMP_atom.delete_BrownianDynamicsTAMD
4031  __del__ = lambda self: None
4032 BrownianDynamicsTAMD_swigregister = _IMP_atom.BrownianDynamicsTAMD_swigregister
4033 BrownianDynamicsTAMD_swigregister(BrownianDynamicsTAMD)
4034 
4035 class Diffusion(IMP.core.XYZ):
4036  """Proxy of C++ IMP::atom::Diffusion class"""
4037  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
4038 
4039  def __init__(self, *args):
4040  """
4041  __init__(IMP::atom::Diffusion self) -> Diffusion
4042  __init__(IMP::atom::Diffusion self, Model m, ParticleIndex id) -> Diffusion
4043  __init__(IMP::atom::Diffusion self, _ParticleAdaptor d) -> Diffusion
4044  """
4045  this = _IMP_atom.new_Diffusion(*args)
4046  try:
4047  self.this.append(this)
4048  except:
4049  self.this = this
4050 
4051  def show(self, *args):
4052  """
4053  show(Diffusion self, _ostream out)
4054  show(Diffusion self)
4055  """
4056  return _IMP_atom.Diffusion_show(self, *args)
4057 
4058 
4059  def setup_particle(*args):
4060  """
4061  setup_particle(Model m, ParticleIndex pi, IMP::Float D) -> Diffusion
4062  setup_particle(_ParticleAdaptor decorator, IMP::Float D) -> Diffusion
4063  setup_particle(Model m, ParticleIndex pi, Vector3D v, IMP::Float D) -> Diffusion
4064  setup_particle(_ParticleAdaptor decorator, Vector3D v, IMP::Float D) -> Diffusion
4065  setup_particle(Model m, ParticleIndex pi) -> Diffusion
4066  setup_particle(_ParticleAdaptor decorator) -> Diffusion
4067  """
4068  return _IMP_atom.Diffusion_setup_particle(*args)
4069 
4070  setup_particle = staticmethod(setup_particle)
4071 
4072  def get_is_setup(*args):
4073  """
4074  get_is_setup(_ParticleAdaptor p) -> bool
4075  get_is_setup(Model m, ParticleIndex p) -> bool
4076  """
4077  return _IMP_atom.Diffusion_get_is_setup(*args)
4078 
4079  get_is_setup = staticmethod(get_is_setup)
4080 
4081  def set_diffusion_coefficient(self, d):
4082  """set_diffusion_coefficient(Diffusion self, double d)"""
4083  return _IMP_atom.Diffusion_set_diffusion_coefficient(self, d)
4084 
4085 
4086  def get_diffusion_coefficient(self):
4087  """get_diffusion_coefficient(Diffusion self) -> double"""
4088  return _IMP_atom.Diffusion_get_diffusion_coefficient(self)
4089 
4090 
4091  def get_diffusion_coefficient_key():
4092  """get_diffusion_coefficient_key() -> FloatKey"""
4093  return _IMP_atom.Diffusion_get_diffusion_coefficient_key()
4094 
4095  get_diffusion_coefficient_key = staticmethod(get_diffusion_coefficient_key)
4096 
4097  def add_attribute(self, *args):
4098  """
4099  add_attribute(Diffusion self, FloatKey k, IMP::Float v, bool opt)
4100  add_attribute(Diffusion self, FloatKey a0, IMP::Float a1)
4101  add_attribute(Diffusion self, IntKey a0, IMP::Int a1)
4102  add_attribute(Diffusion self, FloatsKey a0, IMP::Floats a1)
4103  add_attribute(Diffusion self, IntsKey a0, IMP::Ints a1)
4104  add_attribute(Diffusion self, StringKey a0, IMP::String a1)
4105  add_attribute(Diffusion self, ParticleIndexKey a0, Particle a1)
4106  add_attribute(Diffusion self, ObjectKey a0, Object a1)
4107  """
4108  return _IMP_atom.Diffusion_add_attribute(self, *args)
4109 
4110 
4111  def get_value(self, *args):
4112  """
4113  get_value(Diffusion self, FloatKey a0) -> IMP::Float
4114  get_value(Diffusion self, IntKey a0) -> IMP::Int
4115  get_value(Diffusion self, FloatsKey a0) -> IMP::Floats
4116  get_value(Diffusion self, IntsKey a0) -> IMP::Ints
4117  get_value(Diffusion self, StringKey a0) -> IMP::String
4118  get_value(Diffusion self, ParticleIndexKey a0) -> Particle
4119  get_value(Diffusion self, ObjectKey a0) -> Object
4120  """
4121  return _IMP_atom.Diffusion_get_value(self, *args)
4122 
4123 
4124  def set_value(self, *args):
4125  """
4126  set_value(Diffusion self, FloatKey a0, IMP::Float a1)
4127  set_value(Diffusion self, IntKey a0, IMP::Int a1)
4128  set_value(Diffusion self, FloatsKey a0, IMP::Floats a1)
4129  set_value(Diffusion self, IntsKey a0, IMP::Ints a1)
4130  set_value(Diffusion self, StringKey a0, IMP::String a1)
4131  set_value(Diffusion self, ParticleIndexKey a0, Particle a1)
4132  set_value(Diffusion self, ObjectKey a0, Object a1)
4133  """
4134  return _IMP_atom.Diffusion_set_value(self, *args)
4135 
4136 
4137  def remove_attribute(self, *args):
4138  """
4139  remove_attribute(Diffusion self, FloatKey a0)
4140  remove_attribute(Diffusion self, IntKey a0)
4141  remove_attribute(Diffusion self, FloatsKey a0)
4142  remove_attribute(Diffusion self, IntsKey a0)
4143  remove_attribute(Diffusion self, StringKey a0)
4144  remove_attribute(Diffusion self, ParticleIndexKey a0)
4145  remove_attribute(Diffusion self, ObjectKey a0)
4146  """
4147  return _IMP_atom.Diffusion_remove_attribute(self, *args)
4148 
4149 
4150  def has_attribute(self, *args):
4151  """
4152  has_attribute(Diffusion self, FloatKey a0) -> bool
4153  has_attribute(Diffusion self, IntKey a0) -> bool
4154  has_attribute(Diffusion self, FloatsKey a0) -> bool
4155  has_attribute(Diffusion self, IntsKey a0) -> bool
4156  has_attribute(Diffusion self, StringKey a0) -> bool
4157  has_attribute(Diffusion self, ParticleIndexKey a0) -> bool
4158  has_attribute(Diffusion self, ObjectKey a0) -> bool
4159  """
4160  return _IMP_atom.Diffusion_has_attribute(self, *args)
4161 
4162 
4163  def get_derivative(self, a0):
4164  """get_derivative(Diffusion self, FloatKey a0) -> double"""
4165  return _IMP_atom.Diffusion_get_derivative(self, a0)
4166 
4167 
4168  def get_name(self):
4169  """get_name(Diffusion self) -> std::string"""
4170  return _IMP_atom.Diffusion_get_name(self)
4171 
4172 
4173  def clear_caches(self):
4174  """clear_caches(Diffusion self)"""
4175  return _IMP_atom.Diffusion_clear_caches(self)
4176 
4177 
4178  def set_name(self, a0):
4179  """set_name(Diffusion self, std::string a0)"""
4180  return _IMP_atom.Diffusion_set_name(self, a0)
4181 
4182 
4183  def set_check_level(self, a0):
4184  """set_check_level(Diffusion self, IMP::CheckLevel a0)"""
4185  return _IMP_atom.Diffusion_set_check_level(self, a0)
4186 
4187 
4188  def add_to_derivative(self, a0, a1, a2):
4189  """add_to_derivative(Diffusion self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4190  return _IMP_atom.Diffusion_add_to_derivative(self, a0, a1, a2)
4191 
4192 
4193  def set_is_optimized(self, a0, a1):
4194  """set_is_optimized(Diffusion self, FloatKey a0, bool a1)"""
4195  return _IMP_atom.Diffusion_set_is_optimized(self, a0, a1)
4196 
4197 
4198  def get_is_optimized(self, a0):
4199  """get_is_optimized(Diffusion self, FloatKey a0) -> bool"""
4200  return _IMP_atom.Diffusion_get_is_optimized(self, a0)
4201 
4202 
4203  def get_check_level(self):
4204  """get_check_level(Diffusion self) -> IMP::CheckLevel"""
4205  return _IMP_atom.Diffusion_get_check_level(self)
4206 
4207 
4208  def __eq__(self, *args):
4209  """
4210  __eq__(Diffusion self, Diffusion o) -> bool
4211  __eq__(Diffusion self, Particle d) -> bool
4212  """
4213  return _IMP_atom.Diffusion___eq__(self, *args)
4214 
4215 
4216  def __ne__(self, *args):
4217  """
4218  __ne__(Diffusion self, Diffusion o) -> bool
4219  __ne__(Diffusion self, Particle d) -> bool
4220  """
4221  return _IMP_atom.Diffusion___ne__(self, *args)
4222 
4223 
4224  def __le__(self, *args):
4225  """
4226  __le__(Diffusion self, Diffusion o) -> bool
4227  __le__(Diffusion self, Particle d) -> bool
4228  """
4229  return _IMP_atom.Diffusion___le__(self, *args)
4230 
4231 
4232  def __lt__(self, *args):
4233  """
4234  __lt__(Diffusion self, Diffusion o) -> bool
4235  __lt__(Diffusion self, Particle d) -> bool
4236  """
4237  return _IMP_atom.Diffusion___lt__(self, *args)
4238 
4239 
4240  def __ge__(self, *args):
4241  """
4242  __ge__(Diffusion self, Diffusion o) -> bool
4243  __ge__(Diffusion self, Particle d) -> bool
4244  """
4245  return _IMP_atom.Diffusion___ge__(self, *args)
4246 
4247 
4248  def __gt__(self, *args):
4249  """
4250  __gt__(Diffusion self, Diffusion o) -> bool
4251  __gt__(Diffusion self, Particle d) -> bool
4252  """
4253  return _IMP_atom.Diffusion___gt__(self, *args)
4254 
4255 
4256  def __hash__(self):
4257  """__hash__(Diffusion self) -> std::size_t"""
4258  return _IMP_atom.Diffusion___hash__(self)
4259 
4260 
4261  def __str__(self):
4262  """__str__(Diffusion self) -> std::string"""
4263  return _IMP_atom.Diffusion___str__(self)
4264 
4265 
4266  def __repr__(self):
4267  """__repr__(Diffusion self) -> std::string"""
4268  return _IMP_atom.Diffusion___repr__(self)
4269 
4270  __swig_destroy__ = _IMP_atom.delete_Diffusion
4271  __del__ = lambda self: None
4272 Diffusion_swigregister = _IMP_atom.Diffusion_swigregister
4273 Diffusion_swigregister(Diffusion)
4274 
4275 def Diffusion_setup_particle(*args):
4276  """
4277  setup_particle(Model m, ParticleIndex pi, IMP::Float D) -> Diffusion
4278  setup_particle(_ParticleAdaptor decorator, IMP::Float D) -> Diffusion
4279  setup_particle(Model m, ParticleIndex pi, Vector3D v, IMP::Float D) -> Diffusion
4280  setup_particle(_ParticleAdaptor decorator, Vector3D v, IMP::Float D) -> Diffusion
4281  setup_particle(Model m, ParticleIndex pi) -> Diffusion
4282  Diffusion_setup_particle(_ParticleAdaptor decorator) -> Diffusion
4283  """
4284  return _IMP_atom.Diffusion_setup_particle(*args)
4285 
4286 def Diffusion_get_is_setup(*args):
4287  """
4288  get_is_setup(_ParticleAdaptor p) -> bool
4289  Diffusion_get_is_setup(Model m, ParticleIndex p) -> bool
4290  """
4291  return _IMP_atom.Diffusion_get_is_setup(*args)
4292 
4293 def Diffusion_get_diffusion_coefficient_key():
4294  """Diffusion_get_diffusion_coefficient_key() -> FloatKey"""
4295  return _IMP_atom.Diffusion_get_diffusion_coefficient_key()
4296 
4297 
4298 def get_diffusion_coefficient_from_cm2_per_second(din):
4299  """get_diffusion_coefficient_from_cm2_per_second(double din) -> double"""
4300  return _IMP_atom.get_diffusion_coefficient_from_cm2_per_second(din)
4301 class RigidBodyDiffusion(Diffusion):
4302  """Proxy of C++ IMP::atom::RigidBodyDiffusion class"""
4303  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
4304 
4305  def __init__(self, *args):
4306  """
4307  __init__(IMP::atom::RigidBodyDiffusion self) -> RigidBodyDiffusion
4308  __init__(IMP::atom::RigidBodyDiffusion self, Model m, ParticleIndex id) -> RigidBodyDiffusion
4309  __init__(IMP::atom::RigidBodyDiffusion self, _ParticleAdaptor d) -> RigidBodyDiffusion
4310  """
4311  this = _IMP_atom.new_RigidBodyDiffusion(*args)
4312  try:
4313  self.this.append(this)
4314  except:
4315  self.this = this
4316 
4317  def show(self, *args):
4318  """
4319  show(RigidBodyDiffusion self, _ostream out)
4320  show(RigidBodyDiffusion self)
4321  """
4322  return _IMP_atom.RigidBodyDiffusion_show(self, *args)
4323 
4324 
4325  def setup_particle(*args):
4326  """
4327  setup_particle(Model m, ParticleIndex pi) -> RigidBodyDiffusion
4328  setup_particle(_ParticleAdaptor decorator) -> RigidBodyDiffusion
4329  """
4330  return _IMP_atom.RigidBodyDiffusion_setup_particle(*args)
4331 
4332  setup_particle = staticmethod(setup_particle)
4333 
4335  """get_rotational_diffusion_coefficient(RigidBodyDiffusion self) -> double"""
4336  return _IMP_atom.RigidBodyDiffusion_get_rotational_diffusion_coefficient(self)
4337 
4338 
4339  def set_rotational_diffusion_coefficient(self, d):
4340  """set_rotational_diffusion_coefficient(RigidBodyDiffusion self, double d)"""
4341  return _IMP_atom.RigidBodyDiffusion_set_rotational_diffusion_coefficient(self, d)
4342 
4343 
4344  def get_is_setup(*args):
4345  """
4346  get_is_setup(_ParticleAdaptor p) -> bool
4347  get_is_setup(Model m, ParticleIndex p) -> bool
4348  """
4349  return _IMP_atom.RigidBodyDiffusion_get_is_setup(*args)
4350 
4351  get_is_setup = staticmethod(get_is_setup)
4352 
4353  def get_rotational_diffusion_coefficient_key():
4354  """get_rotational_diffusion_coefficient_key() -> FloatKey"""
4355  return _IMP_atom.RigidBodyDiffusion_get_rotational_diffusion_coefficient_key()
4356 
4357  get_rotational_diffusion_coefficient_key = staticmethod(get_rotational_diffusion_coefficient_key)
4358 
4359  def add_attribute(self, *args):
4360  """
4361  add_attribute(RigidBodyDiffusion self, FloatKey k, IMP::Float v, bool opt)
4362  add_attribute(RigidBodyDiffusion self, FloatKey a0, IMP::Float a1)
4363  add_attribute(RigidBodyDiffusion self, IntKey a0, IMP::Int a1)
4364  add_attribute(RigidBodyDiffusion self, FloatsKey a0, IMP::Floats a1)
4365  add_attribute(RigidBodyDiffusion self, IntsKey a0, IMP::Ints a1)
4366  add_attribute(RigidBodyDiffusion self, StringKey a0, IMP::String a1)
4367  add_attribute(RigidBodyDiffusion self, ParticleIndexKey a0, Particle a1)
4368  add_attribute(RigidBodyDiffusion self, ObjectKey a0, Object a1)
4369  """
4370  return _IMP_atom.RigidBodyDiffusion_add_attribute(self, *args)
4371 
4372 
4373  def get_value(self, *args):
4374  """
4375  get_value(RigidBodyDiffusion self, FloatKey a0) -> IMP::Float
4376  get_value(RigidBodyDiffusion self, IntKey a0) -> IMP::Int
4377  get_value(RigidBodyDiffusion self, FloatsKey a0) -> IMP::Floats
4378  get_value(RigidBodyDiffusion self, IntsKey a0) -> IMP::Ints
4379  get_value(RigidBodyDiffusion self, StringKey a0) -> IMP::String
4380  get_value(RigidBodyDiffusion self, ParticleIndexKey a0) -> Particle
4381  get_value(RigidBodyDiffusion self, ObjectKey a0) -> Object
4382  """
4383  return _IMP_atom.RigidBodyDiffusion_get_value(self, *args)
4384 
4385 
4386  def set_value(self, *args):
4387  """
4388  set_value(RigidBodyDiffusion self, FloatKey a0, IMP::Float a1)
4389  set_value(RigidBodyDiffusion self, IntKey a0, IMP::Int a1)
4390  set_value(RigidBodyDiffusion self, FloatsKey a0, IMP::Floats a1)
4391  set_value(RigidBodyDiffusion self, IntsKey a0, IMP::Ints a1)
4392  set_value(RigidBodyDiffusion self, StringKey a0, IMP::String a1)
4393  set_value(RigidBodyDiffusion self, ParticleIndexKey a0, Particle a1)
4394  set_value(RigidBodyDiffusion self, ObjectKey a0, Object a1)
4395  """
4396  return _IMP_atom.RigidBodyDiffusion_set_value(self, *args)
4397 
4398 
4399  def remove_attribute(self, *args):
4400  """
4401  remove_attribute(RigidBodyDiffusion self, FloatKey a0)
4402  remove_attribute(RigidBodyDiffusion self, IntKey a0)
4403  remove_attribute(RigidBodyDiffusion self, FloatsKey a0)
4404  remove_attribute(RigidBodyDiffusion self, IntsKey a0)
4405  remove_attribute(RigidBodyDiffusion self, StringKey a0)
4406  remove_attribute(RigidBodyDiffusion self, ParticleIndexKey a0)
4407  remove_attribute(RigidBodyDiffusion self, ObjectKey a0)
4408  """
4409  return _IMP_atom.RigidBodyDiffusion_remove_attribute(self, *args)
4410 
4411 
4412  def has_attribute(self, *args):
4413  """
4414  has_attribute(RigidBodyDiffusion self, FloatKey a0) -> bool
4415  has_attribute(RigidBodyDiffusion self, IntKey a0) -> bool
4416  has_attribute(RigidBodyDiffusion self, FloatsKey a0) -> bool
4417  has_attribute(RigidBodyDiffusion self, IntsKey a0) -> bool
4418  has_attribute(RigidBodyDiffusion self, StringKey a0) -> bool
4419  has_attribute(RigidBodyDiffusion self, ParticleIndexKey a0) -> bool
4420  has_attribute(RigidBodyDiffusion self, ObjectKey a0) -> bool
4421  """
4422  return _IMP_atom.RigidBodyDiffusion_has_attribute(self, *args)
4423 
4424 
4425  def get_derivative(self, a0):
4426  """get_derivative(RigidBodyDiffusion self, FloatKey a0) -> double"""
4427  return _IMP_atom.RigidBodyDiffusion_get_derivative(self, a0)
4428 
4429 
4430  def get_name(self):
4431  """get_name(RigidBodyDiffusion self) -> std::string"""
4432  return _IMP_atom.RigidBodyDiffusion_get_name(self)
4433 
4434 
4435  def clear_caches(self):
4436  """clear_caches(RigidBodyDiffusion self)"""
4437  return _IMP_atom.RigidBodyDiffusion_clear_caches(self)
4438 
4439 
4440  def set_name(self, a0):
4441  """set_name(RigidBodyDiffusion self, std::string a0)"""
4442  return _IMP_atom.RigidBodyDiffusion_set_name(self, a0)
4443 
4444 
4445  def set_check_level(self, a0):
4446  """set_check_level(RigidBodyDiffusion self, IMP::CheckLevel a0)"""
4447  return _IMP_atom.RigidBodyDiffusion_set_check_level(self, a0)
4448 
4449 
4450  def add_to_derivative(self, a0, a1, a2):
4451  """add_to_derivative(RigidBodyDiffusion self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4452  return _IMP_atom.RigidBodyDiffusion_add_to_derivative(self, a0, a1, a2)
4453 
4454 
4455  def set_is_optimized(self, a0, a1):
4456  """set_is_optimized(RigidBodyDiffusion self, FloatKey a0, bool a1)"""
4457  return _IMP_atom.RigidBodyDiffusion_set_is_optimized(self, a0, a1)
4458 
4459 
4460  def get_is_optimized(self, a0):
4461  """get_is_optimized(RigidBodyDiffusion self, FloatKey a0) -> bool"""
4462  return _IMP_atom.RigidBodyDiffusion_get_is_optimized(self, a0)
4463 
4464 
4465  def get_check_level(self):
4466  """get_check_level(RigidBodyDiffusion self) -> IMP::CheckLevel"""
4467  return _IMP_atom.RigidBodyDiffusion_get_check_level(self)
4468 
4469 
4470  def __eq__(self, *args):
4471  """
4472  __eq__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
4473  __eq__(RigidBodyDiffusion self, Particle d) -> bool
4474  """
4475  return _IMP_atom.RigidBodyDiffusion___eq__(self, *args)
4476 
4477 
4478  def __ne__(self, *args):
4479  """
4480  __ne__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
4481  __ne__(RigidBodyDiffusion self, Particle d) -> bool
4482  """
4483  return _IMP_atom.RigidBodyDiffusion___ne__(self, *args)
4484 
4485 
4486  def __le__(self, *args):
4487  """
4488  __le__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
4489  __le__(RigidBodyDiffusion self, Particle d) -> bool
4490  """
4491  return _IMP_atom.RigidBodyDiffusion___le__(self, *args)
4492 
4493 
4494  def __lt__(self, *args):
4495  """
4496  __lt__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
4497  __lt__(RigidBodyDiffusion self, Particle d) -> bool
4498  """
4499  return _IMP_atom.RigidBodyDiffusion___lt__(self, *args)
4500 
4501 
4502  def __ge__(self, *args):
4503  """
4504  __ge__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
4505  __ge__(RigidBodyDiffusion self, Particle d) -> bool
4506  """
4507  return _IMP_atom.RigidBodyDiffusion___ge__(self, *args)
4508 
4509 
4510  def __gt__(self, *args):
4511  """
4512  __gt__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
4513  __gt__(RigidBodyDiffusion self, Particle d) -> bool
4514  """
4515  return _IMP_atom.RigidBodyDiffusion___gt__(self, *args)
4516 
4517 
4518  def __hash__(self):
4519  """__hash__(RigidBodyDiffusion self) -> std::size_t"""
4520  return _IMP_atom.RigidBodyDiffusion___hash__(self)
4521 
4522 
4523  def __str__(self):
4524  """__str__(RigidBodyDiffusion self) -> std::string"""
4525  return _IMP_atom.RigidBodyDiffusion___str__(self)
4526 
4527 
4528  def __repr__(self):
4529  """__repr__(RigidBodyDiffusion self) -> std::string"""
4530  return _IMP_atom.RigidBodyDiffusion___repr__(self)
4531 
4532  __swig_destroy__ = _IMP_atom.delete_RigidBodyDiffusion
4533  __del__ = lambda self: None
4534 RigidBodyDiffusion_swigregister = _IMP_atom.RigidBodyDiffusion_swigregister
4535 RigidBodyDiffusion_swigregister(RigidBodyDiffusion)
4536 
4537 def RigidBodyDiffusion_setup_particle(*args):
4538  """
4539  setup_particle(Model m, ParticleIndex pi) -> RigidBodyDiffusion
4540  RigidBodyDiffusion_setup_particle(_ParticleAdaptor decorator) -> RigidBodyDiffusion
4541  """
4542  return _IMP_atom.RigidBodyDiffusion_setup_particle(*args)
4543 
4544 def RigidBodyDiffusion_get_is_setup(*args):
4545  """
4546  get_is_setup(_ParticleAdaptor p) -> bool
4547  RigidBodyDiffusion_get_is_setup(Model m, ParticleIndex p) -> bool
4548  """
4549  return _IMP_atom.RigidBodyDiffusion_get_is_setup(*args)
4550 
4551 def RigidBodyDiffusion_get_rotational_diffusion_coefficient_key():
4552  """RigidBodyDiffusion_get_rotational_diffusion_coefficient_key() -> FloatKey"""
4553  return _IMP_atom.RigidBodyDiffusion_get_rotational_diffusion_coefficient_key()
4554 
4555 class TAMDParticle(IMP.Decorator):
4556  """Proxy of C++ IMP::atom::TAMDParticle class"""
4557  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
4558 
4559  def __init__(self, *args):
4560  """
4561  __init__(IMP::atom::TAMDParticle self) -> TAMDParticle
4562  __init__(IMP::atom::TAMDParticle self, Model m, ParticleIndex id) -> TAMDParticle
4563  __init__(IMP::atom::TAMDParticle self, _ParticleAdaptor d) -> TAMDParticle
4564  """
4565  this = _IMP_atom.new_TAMDParticle(*args)
4566  try:
4567  self.this.append(this)
4568  except:
4569  self.this = this
4570 
4571  def show(self, *args):
4572  """
4573  show(TAMDParticle self, _ostream out)
4574  show(TAMDParticle self)
4575  """
4576  return _IMP_atom.TAMDParticle_show(self, *args)
4577 
4578 
4579  def setup_particle(*args):
4580  """
4581  setup_particle(Model m, ParticleIndex pi, ParticleIndex pi_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4582  setup_particle(_ParticleAdaptor decorator, ParticleIndex pi_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4583  setup_particle(Model m, ParticleIndex pi, Particle p_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4584  setup_particle(_ParticleAdaptor decorator, Particle p_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4585  """
4586  return _IMP_atom.TAMDParticle_setup_particle(*args)
4587 
4588  setup_particle = staticmethod(setup_particle)
4589 
4590  def get_is_setup(*args):
4591  """
4592  get_is_setup(_ParticleAdaptor p) -> bool
4593  get_is_setup(Model m, ParticleIndex p) -> bool
4594  """
4595  return _IMP_atom.TAMDParticle_get_is_setup(*args)
4596 
4597  get_is_setup = staticmethod(get_is_setup)
4598 
4599  def get_reference_particle_index(self):
4600  """get_reference_particle_index(TAMDParticle self) -> ParticleIndex"""
4601  return _IMP_atom.TAMDParticle_get_reference_particle_index(self)
4602 
4603 
4604  def set_temperature_scale_factor(self, tsf):
4605  """set_temperature_scale_factor(TAMDParticle self, float tsf)"""
4606  return _IMP_atom.TAMDParticle_set_temperature_scale_factor(self, tsf)
4607 
4608 
4609  def get_temperature_scale_factor(self):
4610  """get_temperature_scale_factor(TAMDParticle self) -> double"""
4611  return _IMP_atom.TAMDParticle_get_temperature_scale_factor(self)
4612 
4613 
4614  def set_friction_scale_factor(self, tsf):
4615  """set_friction_scale_factor(TAMDParticle self, float tsf)"""
4616  return _IMP_atom.TAMDParticle_set_friction_scale_factor(self, tsf)
4617 
4618 
4619  def get_friction_scale_factor(self):
4620  """get_friction_scale_factor(TAMDParticle self) -> double"""
4621  return _IMP_atom.TAMDParticle_get_friction_scale_factor(self)
4622 
4623 
4624  def update_coordinates_from_ref(self):
4625  """update_coordinates_from_ref(TAMDParticle self)"""
4626  return _IMP_atom.TAMDParticle_update_coordinates_from_ref(self)
4627 
4628 
4629  def get_temperature_scale_factor_key():
4630  """get_temperature_scale_factor_key() -> FloatKey"""
4631  return _IMP_atom.TAMDParticle_get_temperature_scale_factor_key()
4632 
4633  get_temperature_scale_factor_key = staticmethod(get_temperature_scale_factor_key)
4634 
4635  def get_friction_scale_factor_key():
4636  """get_friction_scale_factor_key() -> FloatKey"""
4637  return _IMP_atom.TAMDParticle_get_friction_scale_factor_key()
4638 
4639  get_friction_scale_factor_key = staticmethod(get_friction_scale_factor_key)
4640 
4641  def get_reference_particle_index_key():
4642  """get_reference_particle_index_key() -> ParticleIndexKey"""
4643  return _IMP_atom.TAMDParticle_get_reference_particle_index_key()
4644 
4645  get_reference_particle_index_key = staticmethod(get_reference_particle_index_key)
4646 
4647  def add_attribute(self, *args):
4648  """
4649  add_attribute(TAMDParticle self, FloatKey k, IMP::Float v, bool opt)
4650  add_attribute(TAMDParticle self, FloatKey a0, IMP::Float a1)
4651  add_attribute(TAMDParticle self, IntKey a0, IMP::Int a1)
4652  add_attribute(TAMDParticle self, FloatsKey a0, IMP::Floats a1)
4653  add_attribute(TAMDParticle self, IntsKey a0, IMP::Ints a1)
4654  add_attribute(TAMDParticle self, StringKey a0, IMP::String a1)
4655  add_attribute(TAMDParticle self, ParticleIndexKey a0, Particle a1)
4656  add_attribute(TAMDParticle self, ObjectKey a0, Object a1)
4657  """
4658  return _IMP_atom.TAMDParticle_add_attribute(self, *args)
4659 
4660 
4661  def get_value(self, *args):
4662  """
4663  get_value(TAMDParticle self, FloatKey a0) -> IMP::Float
4664  get_value(TAMDParticle self, IntKey a0) -> IMP::Int
4665  get_value(TAMDParticle self, FloatsKey a0) -> IMP::Floats
4666  get_value(TAMDParticle self, IntsKey a0) -> IMP::Ints
4667  get_value(TAMDParticle self, StringKey a0) -> IMP::String
4668  get_value(TAMDParticle self, ParticleIndexKey a0) -> Particle
4669  get_value(TAMDParticle self, ObjectKey a0) -> Object
4670  """
4671  return _IMP_atom.TAMDParticle_get_value(self, *args)
4672 
4673 
4674  def set_value(self, *args):
4675  """
4676  set_value(TAMDParticle self, FloatKey a0, IMP::Float a1)
4677  set_value(TAMDParticle self, IntKey a0, IMP::Int a1)
4678  set_value(TAMDParticle self, FloatsKey a0, IMP::Floats a1)
4679  set_value(TAMDParticle self, IntsKey a0, IMP::Ints a1)
4680  set_value(TAMDParticle self, StringKey a0, IMP::String a1)
4681  set_value(TAMDParticle self, ParticleIndexKey a0, Particle a1)
4682  set_value(TAMDParticle self, ObjectKey a0, Object a1)
4683  """
4684  return _IMP_atom.TAMDParticle_set_value(self, *args)
4685 
4686 
4687  def remove_attribute(self, *args):
4688  """
4689  remove_attribute(TAMDParticle self, FloatKey a0)
4690  remove_attribute(TAMDParticle self, IntKey a0)
4691  remove_attribute(TAMDParticle self, FloatsKey a0)
4692  remove_attribute(TAMDParticle self, IntsKey a0)
4693  remove_attribute(TAMDParticle self, StringKey a0)
4694  remove_attribute(TAMDParticle self, ParticleIndexKey a0)
4695  remove_attribute(TAMDParticle self, ObjectKey a0)
4696  """
4697  return _IMP_atom.TAMDParticle_remove_attribute(self, *args)
4698 
4699 
4700  def has_attribute(self, *args):
4701  """
4702  has_attribute(TAMDParticle self, FloatKey a0) -> bool
4703  has_attribute(TAMDParticle self, IntKey a0) -> bool
4704  has_attribute(TAMDParticle self, FloatsKey a0) -> bool
4705  has_attribute(TAMDParticle self, IntsKey a0) -> bool
4706  has_attribute(TAMDParticle self, StringKey a0) -> bool
4707  has_attribute(TAMDParticle self, ParticleIndexKey a0) -> bool
4708  has_attribute(TAMDParticle self, ObjectKey a0) -> bool
4709  """
4710  return _IMP_atom.TAMDParticle_has_attribute(self, *args)
4711 
4712 
4713  def get_derivative(self, a0):
4714  """get_derivative(TAMDParticle self, FloatKey a0) -> double"""
4715  return _IMP_atom.TAMDParticle_get_derivative(self, a0)
4716 
4717 
4718  def get_name(self):
4719  """get_name(TAMDParticle self) -> std::string"""
4720  return _IMP_atom.TAMDParticle_get_name(self)
4721 
4722 
4723  def clear_caches(self):
4724  """clear_caches(TAMDParticle self)"""
4725  return _IMP_atom.TAMDParticle_clear_caches(self)
4726 
4727 
4728  def set_name(self, a0):
4729  """set_name(TAMDParticle self, std::string a0)"""
4730  return _IMP_atom.TAMDParticle_set_name(self, a0)
4731 
4732 
4733  def set_check_level(self, a0):
4734  """set_check_level(TAMDParticle self, IMP::CheckLevel a0)"""
4735  return _IMP_atom.TAMDParticle_set_check_level(self, a0)
4736 
4737 
4738  def add_to_derivative(self, a0, a1, a2):
4739  """add_to_derivative(TAMDParticle self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4740  return _IMP_atom.TAMDParticle_add_to_derivative(self, a0, a1, a2)
4741 
4742 
4743  def set_is_optimized(self, a0, a1):
4744  """set_is_optimized(TAMDParticle self, FloatKey a0, bool a1)"""
4745  return _IMP_atom.TAMDParticle_set_is_optimized(self, a0, a1)
4746 
4747 
4748  def get_is_optimized(self, a0):
4749  """get_is_optimized(TAMDParticle self, FloatKey a0) -> bool"""
4750  return _IMP_atom.TAMDParticle_get_is_optimized(self, a0)
4751 
4752 
4753  def get_check_level(self):
4754  """get_check_level(TAMDParticle self) -> IMP::CheckLevel"""
4755  return _IMP_atom.TAMDParticle_get_check_level(self)
4756 
4757 
4758  def __eq__(self, *args):
4759  """
4760  __eq__(TAMDParticle self, TAMDParticle o) -> bool
4761  __eq__(TAMDParticle self, Particle d) -> bool
4762  """
4763  return _IMP_atom.TAMDParticle___eq__(self, *args)
4764 
4765 
4766  def __ne__(self, *args):
4767  """
4768  __ne__(TAMDParticle self, TAMDParticle o) -> bool
4769  __ne__(TAMDParticle self, Particle d) -> bool
4770  """
4771  return _IMP_atom.TAMDParticle___ne__(self, *args)
4772 
4773 
4774  def __le__(self, *args):
4775  """
4776  __le__(TAMDParticle self, TAMDParticle o) -> bool
4777  __le__(TAMDParticle self, Particle d) -> bool
4778  """
4779  return _IMP_atom.TAMDParticle___le__(self, *args)
4780 
4781 
4782  def __lt__(self, *args):
4783  """
4784  __lt__(TAMDParticle self, TAMDParticle o) -> bool
4785  __lt__(TAMDParticle self, Particle d) -> bool
4786  """
4787  return _IMP_atom.TAMDParticle___lt__(self, *args)
4788 
4789 
4790  def __ge__(self, *args):
4791  """
4792  __ge__(TAMDParticle self, TAMDParticle o) -> bool
4793  __ge__(TAMDParticle self, Particle d) -> bool
4794  """
4795  return _IMP_atom.TAMDParticle___ge__(self, *args)
4796 
4797 
4798  def __gt__(self, *args):
4799  """
4800  __gt__(TAMDParticle self, TAMDParticle o) -> bool
4801  __gt__(TAMDParticle self, Particle d) -> bool
4802  """
4803  return _IMP_atom.TAMDParticle___gt__(self, *args)
4804 
4805 
4806  def __hash__(self):
4807  """__hash__(TAMDParticle self) -> std::size_t"""
4808  return _IMP_atom.TAMDParticle___hash__(self)
4809 
4810 
4811  def __str__(self):
4812  """__str__(TAMDParticle self) -> std::string"""
4813  return _IMP_atom.TAMDParticle___str__(self)
4814 
4815 
4816  def __repr__(self):
4817  """__repr__(TAMDParticle self) -> std::string"""
4818  return _IMP_atom.TAMDParticle___repr__(self)
4819 
4820  __swig_destroy__ = _IMP_atom.delete_TAMDParticle
4821  __del__ = lambda self: None
4822 TAMDParticle_swigregister = _IMP_atom.TAMDParticle_swigregister
4823 TAMDParticle_swigregister(TAMDParticle)
4824 
4825 def TAMDParticle_setup_particle(*args):
4826  """
4827  setup_particle(Model m, ParticleIndex pi, ParticleIndex pi_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4828  setup_particle(_ParticleAdaptor decorator, ParticleIndex pi_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4829  setup_particle(Model m, ParticleIndex pi, Particle p_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4830  TAMDParticle_setup_particle(_ParticleAdaptor decorator, Particle p_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4831  """
4832  return _IMP_atom.TAMDParticle_setup_particle(*args)
4833 
4834 def TAMDParticle_get_is_setup(*args):
4835  """
4836  get_is_setup(_ParticleAdaptor p) -> bool
4837  TAMDParticle_get_is_setup(Model m, ParticleIndex p) -> bool
4838  """
4839  return _IMP_atom.TAMDParticle_get_is_setup(*args)
4840 
4841 def TAMDParticle_get_temperature_scale_factor_key():
4842  """TAMDParticle_get_temperature_scale_factor_key() -> FloatKey"""
4843  return _IMP_atom.TAMDParticle_get_temperature_scale_factor_key()
4844 
4845 def TAMDParticle_get_friction_scale_factor_key():
4846  """TAMDParticle_get_friction_scale_factor_key() -> FloatKey"""
4847  return _IMP_atom.TAMDParticle_get_friction_scale_factor_key()
4848 
4849 def TAMDParticle_get_reference_particle_index_key():
4850  """TAMDParticle_get_reference_particle_index_key() -> ParticleIndexKey"""
4851  return _IMP_atom.TAMDParticle_get_reference_particle_index_key()
4852 
4853 class Chain(Hierarchy):
4854  """Proxy of C++ IMP::atom::Chain class"""
4855  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
4856 
4857  def __init__(self, *args):
4858  """
4859  __init__(IMP::atom::Chain self) -> Chain
4860  __init__(IMP::atom::Chain self, Model m, ParticleIndex id) -> Chain
4861  __init__(IMP::atom::Chain self, _ParticleAdaptor d) -> Chain
4862  """
4863  this = _IMP_atom.new_Chain(*args)
4864  try:
4865  self.this.append(this)
4866  except:
4867  self.this = this
4868 
4869  def show(self, *args):
4870  """
4871  show(Chain self, _ostream out)
4872  show(Chain self)
4873  """
4874  return _IMP_atom.Chain_show(self, *args)
4875 
4876 
4877  def setup_particle(*args):
4878  """
4879  setup_particle(Model m, ParticleIndex pi, std::string id) -> Chain
4880  setup_particle(_ParticleAdaptor decorator, std::string id) -> Chain
4881  setup_particle(Model m, ParticleIndex pi, char id) -> Chain
4882  setup_particle(_ParticleAdaptor decorator, char id) -> Chain
4883  setup_particle(Model m, ParticleIndex pi, Chain other) -> Chain
4884  setup_particle(_ParticleAdaptor decorator, Chain other) -> Chain
4885  """
4886  return _IMP_atom.Chain_setup_particle(*args)
4887 
4888  setup_particle = staticmethod(setup_particle)
4889 
4890  def get_is_setup(*args):
4891  """
4892  get_is_setup(_ParticleAdaptor p) -> bool
4893  get_is_setup(Model m, ParticleIndex pi) -> bool
4894  """
4895  return _IMP_atom.Chain_get_is_setup(*args)
4896 
4897  get_is_setup = staticmethod(get_is_setup)
4898 
4899  def get_id(self):
4900  """get_id(Chain self) -> std::string"""
4901  return _IMP_atom.Chain_get_id(self)
4902 
4903 
4904  def set_id(self, c):
4905  """set_id(Chain self, std::string c)"""
4906  return _IMP_atom.Chain_set_id(self, c)
4907 
4908 
4909  def get_sequence(self):
4910  """get_sequence(Chain self) -> std::string"""
4911  return _IMP_atom.Chain_get_sequence(self)
4912 
4913 
4914  def set_sequence(self, sequence):
4915  """set_sequence(Chain self, std::string sequence)"""
4916  return _IMP_atom.Chain_set_sequence(self, sequence)
4917 
4918 
4919  def get_chain_type(self):
4920  """get_chain_type(Chain self) -> ChainType"""
4921  return _IMP_atom.Chain_get_chain_type(self)
4922 
4923 
4924  def set_chain_type(self, t):
4925  """set_chain_type(Chain self, ChainType t)"""
4926  return _IMP_atom.Chain_set_chain_type(self, t)
4927 
4928 
4929  def get_id_key():
4930  """get_id_key() -> StringKey"""
4931  return _IMP_atom.Chain_get_id_key()
4932 
4933  get_id_key = staticmethod(get_id_key)
4934 
4935  def get_sequence_key():
4936  """get_sequence_key() -> StringKey"""
4937  return _IMP_atom.Chain_get_sequence_key()
4938 
4939  get_sequence_key = staticmethod(get_sequence_key)
4940 
4941  def get_chain_type_key():
4942  """get_chain_type_key() -> IntKey"""
4943  return _IMP_atom.Chain_get_chain_type_key()
4944 
4945  get_chain_type_key = staticmethod(get_chain_type_key)
4946 
4947  def add_attribute(self, *args):
4948  """
4949  add_attribute(Chain self, FloatKey k, IMP::Float v, bool opt)
4950  add_attribute(Chain self, FloatKey a0, IMP::Float a1)
4951  add_attribute(Chain self, IntKey a0, IMP::Int a1)
4952  add_attribute(Chain self, FloatsKey a0, IMP::Floats a1)
4953  add_attribute(Chain self, IntsKey a0, IMP::Ints a1)
4954  add_attribute(Chain self, StringKey a0, IMP::String a1)
4955  add_attribute(Chain self, ParticleIndexKey a0, Particle a1)
4956  add_attribute(Chain self, ObjectKey a0, Object a1)
4957  """
4958  return _IMP_atom.Chain_add_attribute(self, *args)
4959 
4960 
4961  def get_value(self, *args):
4962  """
4963  get_value(Chain self, FloatKey a0) -> IMP::Float
4964  get_value(Chain self, IntKey a0) -> IMP::Int
4965  get_value(Chain self, FloatsKey a0) -> IMP::Floats
4966  get_value(Chain self, IntsKey a0) -> IMP::Ints
4967  get_value(Chain self, StringKey a0) -> IMP::String
4968  get_value(Chain self, ParticleIndexKey a0) -> Particle
4969  get_value(Chain self, ObjectKey a0) -> Object
4970  """
4971  return _IMP_atom.Chain_get_value(self, *args)
4972 
4973 
4974  def set_value(self, *args):
4975  """
4976  set_value(Chain self, FloatKey a0, IMP::Float a1)
4977  set_value(Chain self, IntKey a0, IMP::Int a1)
4978  set_value(Chain self, FloatsKey a0, IMP::Floats a1)
4979  set_value(Chain self, IntsKey a0, IMP::Ints a1)
4980  set_value(Chain self, StringKey a0, IMP::String a1)
4981  set_value(Chain self, ParticleIndexKey a0, Particle a1)
4982  set_value(Chain self, ObjectKey a0, Object a1)
4983  """
4984  return _IMP_atom.Chain_set_value(self, *args)
4985 
4986 
4987  def remove_attribute(self, *args):
4988  """
4989  remove_attribute(Chain self, FloatKey a0)
4990  remove_attribute(Chain self, IntKey a0)
4991  remove_attribute(Chain self, FloatsKey a0)
4992  remove_attribute(Chain self, IntsKey a0)
4993  remove_attribute(Chain self, StringKey a0)
4994  remove_attribute(Chain self, ParticleIndexKey a0)
4995  remove_attribute(Chain self, ObjectKey a0)
4996  """
4997  return _IMP_atom.Chain_remove_attribute(self, *args)
4998 
4999 
5000  def has_attribute(self, *args):
5001  """
5002  has_attribute(Chain self, FloatKey a0) -> bool
5003  has_attribute(Chain self, IntKey a0) -> bool
5004  has_attribute(Chain self, FloatsKey a0) -> bool
5005  has_attribute(Chain self, IntsKey a0) -> bool
5006  has_attribute(Chain self, StringKey a0) -> bool
5007  has_attribute(Chain self, ParticleIndexKey a0) -> bool
5008  has_attribute(Chain self, ObjectKey a0) -> bool
5009  """
5010  return _IMP_atom.Chain_has_attribute(self, *args)
5011 
5012 
5013  def get_derivative(self, a0):
5014  """get_derivative(Chain self, FloatKey a0) -> double"""
5015  return _IMP_atom.Chain_get_derivative(self, a0)
5016 
5017 
5018  def get_name(self):
5019  """get_name(Chain self) -> std::string"""
5020  return _IMP_atom.Chain_get_name(self)
5021 
5022 
5023  def clear_caches(self):
5024  """clear_caches(Chain self)"""
5025  return _IMP_atom.Chain_clear_caches(self)
5026 
5027 
5028  def set_name(self, a0):
5029  """set_name(Chain self, std::string a0)"""
5030  return _IMP_atom.Chain_set_name(self, a0)
5031 
5032 
5033  def set_check_level(self, a0):
5034  """set_check_level(Chain self, IMP::CheckLevel a0)"""
5035  return _IMP_atom.Chain_set_check_level(self, a0)
5036 
5037 
5038  def add_to_derivative(self, a0, a1, a2):
5039  """add_to_derivative(Chain self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5040  return _IMP_atom.Chain_add_to_derivative(self, a0, a1, a2)
5041 
5042 
5043  def set_is_optimized(self, a0, a1):
5044  """set_is_optimized(Chain self, FloatKey a0, bool a1)"""
5045  return _IMP_atom.Chain_set_is_optimized(self, a0, a1)
5046 
5047 
5048  def get_is_optimized(self, a0):
5049  """get_is_optimized(Chain self, FloatKey a0) -> bool"""
5050  return _IMP_atom.Chain_get_is_optimized(self, a0)
5051 
5052 
5053  def get_check_level(self):
5054  """get_check_level(Chain self) -> IMP::CheckLevel"""
5055  return _IMP_atom.Chain_get_check_level(self)
5056 
5057 
5058  def __eq__(self, *args):
5059  """
5060  __eq__(Chain self, Chain o) -> bool
5061  __eq__(Chain self, Particle d) -> bool
5062  """
5063  return _IMP_atom.Chain___eq__(self, *args)
5064 
5065 
5066  def __ne__(self, *args):
5067  """
5068  __ne__(Chain self, Chain o) -> bool
5069  __ne__(Chain self, Particle d) -> bool
5070  """
5071  return _IMP_atom.Chain___ne__(self, *args)
5072 
5073 
5074  def __le__(self, *args):
5075  """
5076  __le__(Chain self, Chain o) -> bool
5077  __le__(Chain self, Particle d) -> bool
5078  """
5079  return _IMP_atom.Chain___le__(self, *args)
5080 
5081 
5082  def __lt__(self, *args):
5083  """
5084  __lt__(Chain self, Chain o) -> bool
5085  __lt__(Chain self, Particle d) -> bool
5086  """
5087  return _IMP_atom.Chain___lt__(self, *args)
5088 
5089 
5090  def __ge__(self, *args):
5091  """
5092  __ge__(Chain self, Chain o) -> bool
5093  __ge__(Chain self, Particle d) -> bool
5094  """
5095  return _IMP_atom.Chain___ge__(self, *args)
5096 
5097 
5098  def __gt__(self, *args):
5099  """
5100  __gt__(Chain self, Chain o) -> bool
5101  __gt__(Chain self, Particle d) -> bool
5102  """
5103  return _IMP_atom.Chain___gt__(self, *args)
5104 
5105 
5106  def __hash__(self):
5107  """__hash__(Chain self) -> std::size_t"""
5108  return _IMP_atom.Chain___hash__(self)
5109 
5110 
5111  def __str__(self):
5112  """__str__(Chain self) -> std::string"""
5113  return _IMP_atom.Chain___str__(self)
5114 
5115 
5116  def __repr__(self):
5117  """__repr__(Chain self) -> std::string"""
5118  return _IMP_atom.Chain___repr__(self)
5119 
5120  __swig_destroy__ = _IMP_atom.delete_Chain
5121  __del__ = lambda self: None
5122 Chain_swigregister = _IMP_atom.Chain_swigregister
5123 Chain_swigregister(Chain)
5124 cvar = _IMP_atom.cvar
5125 UnknownChainType = cvar.UnknownChainType
5126 DPolypeptide = cvar.DPolypeptide
5127 LPolypeptide = cvar.LPolypeptide
5128 Polydeoxyribonucleotide = cvar.Polydeoxyribonucleotide
5129 Polyribonucleotide = cvar.Polyribonucleotide
5130 DPolysaccharide = cvar.DPolysaccharide
5131 LPolysaccharide = cvar.LPolysaccharide
5132 Protein = cvar.Protein
5133 DNA = cvar.DNA
5134 RNA = cvar.RNA
5135 
5136 def Chain_setup_particle(*args):
5137  """
5138  setup_particle(Model m, ParticleIndex pi, std::string id) -> Chain
5139  setup_particle(_ParticleAdaptor decorator, std::string id) -> Chain
5140  setup_particle(Model m, ParticleIndex pi, char id) -> Chain
5141  setup_particle(_ParticleAdaptor decorator, char id) -> Chain
5142  setup_particle(Model m, ParticleIndex pi, Chain other) -> Chain
5143  Chain_setup_particle(_ParticleAdaptor decorator, Chain other) -> Chain
5144  """
5145  return _IMP_atom.Chain_setup_particle(*args)
5146 
5147 def Chain_get_is_setup(*args):
5148  """
5149  get_is_setup(_ParticleAdaptor p) -> bool
5150  Chain_get_is_setup(Model m, ParticleIndex pi) -> bool
5151  """
5152  return _IMP_atom.Chain_get_is_setup(*args)
5153 
5154 def Chain_get_id_key():
5155  """Chain_get_id_key() -> StringKey"""
5156  return _IMP_atom.Chain_get_id_key()
5157 
5158 def Chain_get_sequence_key():
5159  """Chain_get_sequence_key() -> StringKey"""
5160  return _IMP_atom.Chain_get_sequence_key()
5161 
5162 def Chain_get_chain_type_key():
5163  """Chain_get_chain_type_key() -> IntKey"""
5164  return _IMP_atom.Chain_get_chain_type_key()
5165 
5166 
5167 def get_chain(h):
5168  """get_chain(Hierarchy h) -> Chain"""
5169  return _IMP_atom.get_chain(h)
5170 
5171 def get_chain_id(h):
5172  """get_chain_id(Hierarchy h) -> std::string"""
5173  return _IMP_atom.get_chain_id(h)
5174 class Charged(IMP.core.XYZ):
5175  """Proxy of C++ IMP::atom::Charged class"""
5176  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5177 
5178  def __init__(self, *args):
5179  """
5180  __init__(IMP::atom::Charged self) -> Charged
5181  __init__(IMP::atom::Charged self, Model m, ParticleIndex id) -> Charged
5182  __init__(IMP::atom::Charged self, _ParticleAdaptor d) -> Charged
5183  """
5184  this = _IMP_atom.new_Charged(*args)
5185  try:
5186  self.this.append(this)
5187  except:
5188  self.this = this
5189 
5190  def show(self, *args):
5191  """
5192  show(Charged self, _ostream out)
5193  show(Charged self)
5194  """
5195  return _IMP_atom.Charged_show(self, *args)
5196 
5197 
5198  def setup_particle(*args):
5199  """
5200  setup_particle(Model m, ParticleIndex pi, IMP::Float charge) -> Charged
5201  setup_particle(_ParticleAdaptor decorator, IMP::Float charge) -> Charged
5202  setup_particle(Model m, ParticleIndex pi, Vector3D v, IMP::Float charge) -> Charged
5203  setup_particle(_ParticleAdaptor decorator, Vector3D v, IMP::Float charge) -> Charged
5204  """
5205  return _IMP_atom.Charged_setup_particle(*args)
5206 
5207  setup_particle = staticmethod(setup_particle)
5208 
5209  def get_charge(self):
5210  """get_charge(Charged self) -> IMP::Float"""
5211  return _IMP_atom.Charged_get_charge(self)
5212 
5213 
5214  def set_charge(self, t):
5215  """set_charge(Charged self, IMP::Float t)"""
5216  return _IMP_atom.Charged_set_charge(self, t)
5217 
5218 
5219  def get_is_setup(*args):
5220  """
5221  get_is_setup(_ParticleAdaptor p) -> bool
5222  get_is_setup(Model m, ParticleIndex pi) -> bool
5223  """
5224  return _IMP_atom.Charged_get_is_setup(*args)
5225 
5226  get_is_setup = staticmethod(get_is_setup)
5227 
5228  def get_charge_key():
5229  """get_charge_key() -> FloatKey"""
5230  return _IMP_atom.Charged_get_charge_key()
5231 
5232  get_charge_key = staticmethod(get_charge_key)
5233 
5234  def add_attribute(self, *args):
5235  """
5236  add_attribute(Charged self, FloatKey k, IMP::Float v, bool opt)
5237  add_attribute(Charged self, FloatKey a0, IMP::Float a1)
5238  add_attribute(Charged self, IntKey a0, IMP::Int a1)
5239  add_attribute(Charged self, FloatsKey a0, IMP::Floats a1)
5240  add_attribute(Charged self, IntsKey a0, IMP::Ints a1)
5241  add_attribute(Charged self, StringKey a0, IMP::String a1)
5242  add_attribute(Charged self, ParticleIndexKey a0, Particle a1)
5243  add_attribute(Charged self, ObjectKey a0, Object a1)
5244  """
5245  return _IMP_atom.Charged_add_attribute(self, *args)
5246 
5247 
5248  def get_value(self, *args):
5249  """
5250  get_value(Charged self, FloatKey a0) -> IMP::Float
5251  get_value(Charged self, IntKey a0) -> IMP::Int
5252  get_value(Charged self, FloatsKey a0) -> IMP::Floats
5253  get_value(Charged self, IntsKey a0) -> IMP::Ints
5254  get_value(Charged self, StringKey a0) -> IMP::String
5255  get_value(Charged self, ParticleIndexKey a0) -> Particle
5256  get_value(Charged self, ObjectKey a0) -> Object
5257  """
5258  return _IMP_atom.Charged_get_value(self, *args)
5259 
5260 
5261  def set_value(self, *args):
5262  """
5263  set_value(Charged self, FloatKey a0, IMP::Float a1)
5264  set_value(Charged self, IntKey a0, IMP::Int a1)
5265  set_value(Charged self, FloatsKey a0, IMP::Floats a1)
5266  set_value(Charged self, IntsKey a0, IMP::Ints a1)
5267  set_value(Charged self, StringKey a0, IMP::String a1)
5268  set_value(Charged self, ParticleIndexKey a0, Particle a1)
5269  set_value(Charged self, ObjectKey a0, Object a1)
5270  """
5271  return _IMP_atom.Charged_set_value(self, *args)
5272 
5273 
5274  def remove_attribute(self, *args):
5275  """
5276  remove_attribute(Charged self, FloatKey a0)
5277  remove_attribute(Charged self, IntKey a0)
5278  remove_attribute(Charged self, FloatsKey a0)
5279  remove_attribute(Charged self, IntsKey a0)
5280  remove_attribute(Charged self, StringKey a0)
5281  remove_attribute(Charged self, ParticleIndexKey a0)
5282  remove_attribute(Charged self, ObjectKey a0)
5283  """
5284  return _IMP_atom.Charged_remove_attribute(self, *args)
5285 
5286 
5287  def has_attribute(self, *args):
5288  """
5289  has_attribute(Charged self, FloatKey a0) -> bool
5290  has_attribute(Charged self, IntKey a0) -> bool
5291  has_attribute(Charged self, FloatsKey a0) -> bool
5292  has_attribute(Charged self, IntsKey a0) -> bool
5293  has_attribute(Charged self, StringKey a0) -> bool
5294  has_attribute(Charged self, ParticleIndexKey a0) -> bool
5295  has_attribute(Charged self, ObjectKey a0) -> bool
5296  """
5297  return _IMP_atom.Charged_has_attribute(self, *args)
5298 
5299 
5300  def get_derivative(self, a0):
5301  """get_derivative(Charged self, FloatKey a0) -> double"""
5302  return _IMP_atom.Charged_get_derivative(self, a0)
5303 
5304 
5305  def get_name(self):
5306  """get_name(Charged self) -> std::string"""
5307  return _IMP_atom.Charged_get_name(self)
5308 
5309 
5310  def clear_caches(self):
5311  """clear_caches(Charged self)"""
5312  return _IMP_atom.Charged_clear_caches(self)
5313 
5314 
5315  def set_name(self, a0):
5316  """set_name(Charged self, std::string a0)"""
5317  return _IMP_atom.Charged_set_name(self, a0)
5318 
5319 
5320  def set_check_level(self, a0):
5321  """set_check_level(Charged self, IMP::CheckLevel a0)"""
5322  return _IMP_atom.Charged_set_check_level(self, a0)
5323 
5324 
5325  def add_to_derivative(self, a0, a1, a2):
5326  """add_to_derivative(Charged self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5327  return _IMP_atom.Charged_add_to_derivative(self, a0, a1, a2)
5328 
5329 
5330  def set_is_optimized(self, a0, a1):
5331  """set_is_optimized(Charged self, FloatKey a0, bool a1)"""
5332  return _IMP_atom.Charged_set_is_optimized(self, a0, a1)
5333 
5334 
5335  def get_is_optimized(self, a0):
5336  """get_is_optimized(Charged self, FloatKey a0) -> bool"""
5337  return _IMP_atom.Charged_get_is_optimized(self, a0)
5338 
5339 
5340  def get_check_level(self):
5341  """get_check_level(Charged self) -> IMP::CheckLevel"""
5342  return _IMP_atom.Charged_get_check_level(self)
5343 
5344 
5345  def __eq__(self, *args):
5346  """
5347  __eq__(Charged self, Charged o) -> bool
5348  __eq__(Charged self, Particle d) -> bool
5349  """
5350  return _IMP_atom.Charged___eq__(self, *args)
5351 
5352 
5353  def __ne__(self, *args):
5354  """
5355  __ne__(Charged self, Charged o) -> bool
5356  __ne__(Charged self, Particle d) -> bool
5357  """
5358  return _IMP_atom.Charged___ne__(self, *args)
5359 
5360 
5361  def __le__(self, *args):
5362  """
5363  __le__(Charged self, Charged o) -> bool
5364  __le__(Charged self, Particle d) -> bool
5365  """
5366  return _IMP_atom.Charged___le__(self, *args)
5367 
5368 
5369  def __lt__(self, *args):
5370  """
5371  __lt__(Charged self, Charged o) -> bool
5372  __lt__(Charged self, Particle d) -> bool
5373  """
5374  return _IMP_atom.Charged___lt__(self, *args)
5375 
5376 
5377  def __ge__(self, *args):
5378  """
5379  __ge__(Charged self, Charged o) -> bool
5380  __ge__(Charged self, Particle d) -> bool
5381  """
5382  return _IMP_atom.Charged___ge__(self, *args)
5383 
5384 
5385  def __gt__(self, *args):
5386  """
5387  __gt__(Charged self, Charged o) -> bool
5388  __gt__(Charged self, Particle d) -> bool
5389  """
5390  return _IMP_atom.Charged___gt__(self, *args)
5391 
5392 
5393  def __hash__(self):
5394  """__hash__(Charged self) -> std::size_t"""
5395  return _IMP_atom.Charged___hash__(self)
5396 
5397 
5398  def __str__(self):
5399  """__str__(Charged self) -> std::string"""
5400  return _IMP_atom.Charged___str__(self)
5401 
5402 
5403  def __repr__(self):
5404  """__repr__(Charged self) -> std::string"""
5405  return _IMP_atom.Charged___repr__(self)
5406 
5407  __swig_destroy__ = _IMP_atom.delete_Charged
5408  __del__ = lambda self: None
5409 Charged_swigregister = _IMP_atom.Charged_swigregister
5410 Charged_swigregister(Charged)
5411 
5412 def Charged_setup_particle(*args):
5413  """
5414  setup_particle(Model m, ParticleIndex pi, IMP::Float charge) -> Charged
5415  setup_particle(_ParticleAdaptor decorator, IMP::Float charge) -> Charged
5416  setup_particle(Model m, ParticleIndex pi, Vector3D v, IMP::Float charge) -> Charged
5417  Charged_setup_particle(_ParticleAdaptor decorator, Vector3D v, IMP::Float charge) -> Charged
5418  """
5419  return _IMP_atom.Charged_setup_particle(*args)
5420 
5421 def Charged_get_is_setup(*args):
5422  """
5423  get_is_setup(_ParticleAdaptor p) -> bool
5424  Charged_get_is_setup(Model m, ParticleIndex pi) -> bool
5425  """
5426  return _IMP_atom.Charged_get_is_setup(*args)
5427 
5428 def Charged_get_charge_key():
5429  """Charged_get_charge_key() -> FloatKey"""
5430  return _IMP_atom.Charged_get_charge_key()
5431 
5432 class CoulombPairScore(IMP.PairScore):
5433  """Proxy of C++ IMP::atom::CoulombPairScore class"""
5434  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5435 
5436  def __init__(self, f):
5437  """__init__(IMP::atom::CoulombPairScore self, SmoothingFunction f) -> CoulombPairScore"""
5438  this = _IMP_atom.new_CoulombPairScore(f)
5439  try:
5440  self.this.append(this)
5441  except:
5442  self.this = this
5443 
5444  def set_relative_dielectric(self, relative_dielectric):
5445  """set_relative_dielectric(CoulombPairScore self, double relative_dielectric)"""
5446  return _IMP_atom.CoulombPairScore_set_relative_dielectric(self, relative_dielectric)
5447 
5448 
5449  def get_relative_dielectric(self):
5450  """get_relative_dielectric(CoulombPairScore self) -> double"""
5451  return _IMP_atom.CoulombPairScore_get_relative_dielectric(self)
5452 
5453 
5454  def do_get_inputs(self, m, pis):
5455  """do_get_inputs(CoulombPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5456  return _IMP_atom.CoulombPairScore_do_get_inputs(self, m, pis)
5457 
5458 
5459  def get_version_info(self):
5460  """get_version_info(CoulombPairScore self) -> VersionInfo"""
5461  return _IMP_atom.CoulombPairScore_get_version_info(self)
5462 
5463 
5464  def __str__(self):
5465  """__str__(CoulombPairScore self) -> std::string"""
5466  return _IMP_atom.CoulombPairScore___str__(self)
5467 
5468 
5469  def __repr__(self):
5470  """__repr__(CoulombPairScore self) -> std::string"""
5471  return _IMP_atom.CoulombPairScore___repr__(self)
5472 
5473 
5474  @staticmethod
5475  def get_from(o):
5476  return _object_cast_to_CoulombPairScore(o)
5477 
5478 CoulombPairScore_swigregister = _IMP_atom.CoulombPairScore_swigregister
5479 CoulombPairScore_swigregister(CoulombPairScore)
5480 
5481 class Domain(Hierarchy):
5482  """Proxy of C++ IMP::atom::Domain class"""
5483  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5484 
5485  def set_index_range(self, ir):
5486  """set_index_range(Domain self, IMP::IntRange ir)"""
5487  return _IMP_atom.Domain_set_index_range(self, ir)
5488 
5489 
5490  def get_index_range(self):
5491  """get_index_range(Domain self) -> IMP::IntRange"""
5492  return _IMP_atom.Domain_get_index_range(self)
5493 
5494 
5495  def __init__(self, *args):
5496  """
5497  __init__(IMP::atom::Domain self) -> Domain
5498  __init__(IMP::atom::Domain self, Model m, ParticleIndex id) -> Domain
5499  __init__(IMP::atom::Domain self, _ParticleAdaptor d) -> Domain
5500  """
5501  this = _IMP_atom.new_Domain(*args)
5502  try:
5503  self.this.append(this)
5504  except:
5505  self.this = this
5506 
5507  def get_is_setup(*args):
5508  """
5509  get_is_setup(Model m, ParticleIndex pi) -> bool
5510  get_is_setup(_ParticleAdaptor p) -> bool
5511  """
5512  return _IMP_atom.Domain_get_is_setup(*args)
5513 
5514  get_is_setup = staticmethod(get_is_setup)
5515 
5516  def show(self, *args):
5517  """
5518  show(Domain self, _ostream out)
5519  show(Domain self)
5520  """
5521  return _IMP_atom.Domain_show(self, *args)
5522 
5523 
5524  def setup_particle(*args):
5525  """
5526  setup_particle(Model m, ParticleIndex pi, Domain other) -> Domain
5527  setup_particle(_ParticleAdaptor decorator, Domain other) -> Domain
5528  setup_particle(Model m, ParticleIndex pi, IMP::IntRange residues) -> Domain
5529  setup_particle(_ParticleAdaptor decorator, IMP::IntRange residues) -> Domain
5530  """
5531  return _IMP_atom.Domain_setup_particle(*args)
5532 
5533  setup_particle = staticmethod(setup_particle)
5534 
5535  def add_attribute(self, *args):
5536  """
5537  add_attribute(Domain self, FloatKey k, IMP::Float v, bool opt)
5538  add_attribute(Domain self, FloatKey a0, IMP::Float a1)
5539  add_attribute(Domain self, IntKey a0, IMP::Int a1)
5540  add_attribute(Domain self, FloatsKey a0, IMP::Floats a1)
5541  add_attribute(Domain self, IntsKey a0, IMP::Ints a1)
5542  add_attribute(Domain self, StringKey a0, IMP::String a1)
5543  add_attribute(Domain self, ParticleIndexKey a0, Particle a1)
5544  add_attribute(Domain self, ObjectKey a0, Object a1)
5545  """
5546  return _IMP_atom.Domain_add_attribute(self, *args)
5547 
5548 
5549  def get_value(self, *args):
5550  """
5551  get_value(Domain self, FloatKey a0) -> IMP::Float
5552  get_value(Domain self, IntKey a0) -> IMP::Int
5553  get_value(Domain self, FloatsKey a0) -> IMP::Floats
5554  get_value(Domain self, IntsKey a0) -> IMP::Ints
5555  get_value(Domain self, StringKey a0) -> IMP::String
5556  get_value(Domain self, ParticleIndexKey a0) -> Particle
5557  get_value(Domain self, ObjectKey a0) -> Object
5558  """
5559  return _IMP_atom.Domain_get_value(self, *args)
5560 
5561 
5562  def set_value(self, *args):
5563  """
5564  set_value(Domain self, FloatKey a0, IMP::Float a1)
5565  set_value(Domain self, IntKey a0, IMP::Int a1)
5566  set_value(Domain self, FloatsKey a0, IMP::Floats a1)
5567  set_value(Domain self, IntsKey a0, IMP::Ints a1)
5568  set_value(Domain self, StringKey a0, IMP::String a1)
5569  set_value(Domain self, ParticleIndexKey a0, Particle a1)
5570  set_value(Domain self, ObjectKey a0, Object a1)
5571  """
5572  return _IMP_atom.Domain_set_value(self, *args)
5573 
5574 
5575  def remove_attribute(self, *args):
5576  """
5577  remove_attribute(Domain self, FloatKey a0)
5578  remove_attribute(Domain self, IntKey a0)
5579  remove_attribute(Domain self, FloatsKey a0)
5580  remove_attribute(Domain self, IntsKey a0)
5581  remove_attribute(Domain self, StringKey a0)
5582  remove_attribute(Domain self, ParticleIndexKey a0)
5583  remove_attribute(Domain self, ObjectKey a0)
5584  """
5585  return _IMP_atom.Domain_remove_attribute(self, *args)
5586 
5587 
5588  def has_attribute(self, *args):
5589  """
5590  has_attribute(Domain self, FloatKey a0) -> bool
5591  has_attribute(Domain self, IntKey a0) -> bool
5592  has_attribute(Domain self, FloatsKey a0) -> bool
5593  has_attribute(Domain self, IntsKey a0) -> bool
5594  has_attribute(Domain self, StringKey a0) -> bool
5595  has_attribute(Domain self, ParticleIndexKey a0) -> bool
5596  has_attribute(Domain self, ObjectKey a0) -> bool
5597  """
5598  return _IMP_atom.Domain_has_attribute(self, *args)
5599 
5600 
5601  def get_derivative(self, a0):
5602  """get_derivative(Domain self, FloatKey a0) -> double"""
5603  return _IMP_atom.Domain_get_derivative(self, a0)
5604 
5605 
5606  def get_name(self):
5607  """get_name(Domain self) -> std::string"""
5608  return _IMP_atom.Domain_get_name(self)
5609 
5610 
5611  def clear_caches(self):
5612  """clear_caches(Domain self)"""
5613  return _IMP_atom.Domain_clear_caches(self)
5614 
5615 
5616  def set_name(self, a0):
5617  """set_name(Domain self, std::string a0)"""
5618  return _IMP_atom.Domain_set_name(self, a0)
5619 
5620 
5621  def set_check_level(self, a0):
5622  """set_check_level(Domain self, IMP::CheckLevel a0)"""
5623  return _IMP_atom.Domain_set_check_level(self, a0)
5624 
5625 
5626  def add_to_derivative(self, a0, a1, a2):
5627  """add_to_derivative(Domain self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5628  return _IMP_atom.Domain_add_to_derivative(self, a0, a1, a2)
5629 
5630 
5631  def set_is_optimized(self, a0, a1):
5632  """set_is_optimized(Domain self, FloatKey a0, bool a1)"""
5633  return _IMP_atom.Domain_set_is_optimized(self, a0, a1)
5634 
5635 
5636  def get_is_optimized(self, a0):
5637  """get_is_optimized(Domain self, FloatKey a0) -> bool"""
5638  return _IMP_atom.Domain_get_is_optimized(self, a0)
5639 
5640 
5641  def get_check_level(self):
5642  """get_check_level(Domain self) -> IMP::CheckLevel"""
5643  return _IMP_atom.Domain_get_check_level(self)
5644 
5645 
5646  def __eq__(self, *args):
5647  """
5648  __eq__(Domain self, Domain o) -> bool
5649  __eq__(Domain self, Particle d) -> bool
5650  """
5651  return _IMP_atom.Domain___eq__(self, *args)
5652 
5653 
5654  def __ne__(self, *args):
5655  """
5656  __ne__(Domain self, Domain o) -> bool
5657  __ne__(Domain self, Particle d) -> bool
5658  """
5659  return _IMP_atom.Domain___ne__(self, *args)
5660 
5661 
5662  def __le__(self, *args):
5663  """
5664  __le__(Domain self, Domain o) -> bool
5665  __le__(Domain self, Particle d) -> bool
5666  """
5667  return _IMP_atom.Domain___le__(self, *args)
5668 
5669 
5670  def __lt__(self, *args):
5671  """
5672  __lt__(Domain self, Domain o) -> bool
5673  __lt__(Domain self, Particle d) -> bool
5674  """
5675  return _IMP_atom.Domain___lt__(self, *args)
5676 
5677 
5678  def __ge__(self, *args):
5679  """
5680  __ge__(Domain self, Domain o) -> bool
5681  __ge__(Domain self, Particle d) -> bool
5682  """
5683  return _IMP_atom.Domain___ge__(self, *args)
5684 
5685 
5686  def __gt__(self, *args):
5687  """
5688  __gt__(Domain self, Domain o) -> bool
5689  __gt__(Domain self, Particle d) -> bool
5690  """
5691  return _IMP_atom.Domain___gt__(self, *args)
5692 
5693 
5694  def __hash__(self):
5695  """__hash__(Domain self) -> std::size_t"""
5696  return _IMP_atom.Domain___hash__(self)
5697 
5698 
5699  def __str__(self):
5700  """__str__(Domain self) -> std::string"""
5701  return _IMP_atom.Domain___str__(self)
5702 
5703 
5704  def __repr__(self):
5705  """__repr__(Domain self) -> std::string"""
5706  return _IMP_atom.Domain___repr__(self)
5707 
5708  __swig_destroy__ = _IMP_atom.delete_Domain
5709  __del__ = lambda self: None
5710 Domain_swigregister = _IMP_atom.Domain_swigregister
5711 Domain_swigregister(Domain)
5712 
5713 def Domain_get_is_setup(*args):
5714  """
5715  get_is_setup(Model m, ParticleIndex pi) -> bool
5716  Domain_get_is_setup(_ParticleAdaptor p) -> bool
5717  """
5718  return _IMP_atom.Domain_get_is_setup(*args)
5719 
5720 def Domain_setup_particle(*args):
5721  """
5722  setup_particle(Model m, ParticleIndex pi, Domain other) -> Domain
5723  setup_particle(_ParticleAdaptor decorator, Domain other) -> Domain
5724  setup_particle(Model m, ParticleIndex pi, IMP::IntRange residues) -> Domain
5725  Domain_setup_particle(_ParticleAdaptor decorator, IMP::IntRange residues) -> Domain
5726  """
5727  return _IMP_atom.Domain_setup_particle(*args)
5728 
5729 class LennardJones(IMP.core.XYZR):
5730  """Proxy of C++ IMP::atom::LennardJones class"""
5731  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5732 
5733  def __init__(self, *args):
5734  """
5735  __init__(IMP::atom::LennardJones self) -> LennardJones
5736  __init__(IMP::atom::LennardJones self, Model m, ParticleIndex id) -> LennardJones
5737  __init__(IMP::atom::LennardJones self, _ParticleAdaptor d) -> LennardJones
5738  """
5739  this = _IMP_atom.new_LennardJones(*args)
5740  try:
5741  self.this.append(this)
5742  except:
5743  self.this = this
5744 
5745  def show(self, *args):
5746  """
5747  show(LennardJones self, _ostream out)
5748  show(LennardJones self)
5749  """
5750  return _IMP_atom.LennardJones_show(self, *args)
5751 
5752 
5753  def setup_particle(*args):
5754  """
5755  setup_particle(Model m, ParticleIndex pi) -> LennardJones
5756  setup_particle(_ParticleAdaptor decorator) -> LennardJones
5757  setup_particle(Model m, ParticleIndex pi, IMP::Float well_depth) -> LennardJones
5758  setup_particle(_ParticleAdaptor decorator, IMP::Float well_depth) -> LennardJones
5759  """
5760  return _IMP_atom.LennardJones_setup_particle(*args)
5761 
5762  setup_particle = staticmethod(setup_particle)
5763 
5764  def get_well_depth(self):
5765  """get_well_depth(LennardJones self) -> IMP::Float"""
5766  return _IMP_atom.LennardJones_get_well_depth(self)
5767 
5768 
5769  def set_well_depth(self, well_depth):
5770  """set_well_depth(LennardJones self, IMP::Float well_depth)"""
5771  return _IMP_atom.LennardJones_set_well_depth(self, well_depth)
5772 
5773 
5774  def get_is_setup(*args):
5775  """
5776  get_is_setup(_ParticleAdaptor p) -> bool
5777  get_is_setup(Model m, ParticleIndex pi) -> bool
5778  """
5779  return _IMP_atom.LennardJones_get_is_setup(*args)
5780 
5781  get_is_setup = staticmethod(get_is_setup)
5782 
5783  def get_well_depth_key():
5784  """get_well_depth_key() -> FloatKey"""
5785  return _IMP_atom.LennardJones_get_well_depth_key()
5786 
5787  get_well_depth_key = staticmethod(get_well_depth_key)
5788 
5789  def add_attribute(self, *args):
5790  """
5791  add_attribute(LennardJones self, FloatKey k, IMP::Float v, bool opt)
5792  add_attribute(LennardJones self, FloatKey a0, IMP::Float a1)
5793  add_attribute(LennardJones self, IntKey a0, IMP::Int a1)
5794  add_attribute(LennardJones self, FloatsKey a0, IMP::Floats a1)
5795  add_attribute(LennardJones self, IntsKey a0, IMP::Ints a1)
5796  add_attribute(LennardJones self, StringKey a0, IMP::String a1)
5797  add_attribute(LennardJones self, ParticleIndexKey a0, Particle a1)
5798  add_attribute(LennardJones self, ObjectKey a0, Object a1)
5799  """
5800  return _IMP_atom.LennardJones_add_attribute(self, *args)
5801 
5802 
5803  def get_value(self, *args):
5804  """
5805  get_value(LennardJones self, FloatKey a0) -> IMP::Float
5806  get_value(LennardJones self, IntKey a0) -> IMP::Int
5807  get_value(LennardJones self, FloatsKey a0) -> IMP::Floats
5808  get_value(LennardJones self, IntsKey a0) -> IMP::Ints
5809  get_value(LennardJones self, StringKey a0) -> IMP::String
5810  get_value(LennardJones self, ParticleIndexKey a0) -> Particle
5811  get_value(LennardJones self, ObjectKey a0) -> Object
5812  """
5813  return _IMP_atom.LennardJones_get_value(self, *args)
5814 
5815 
5816  def set_value(self, *args):
5817  """
5818  set_value(LennardJones self, FloatKey a0, IMP::Float a1)
5819  set_value(LennardJones self, IntKey a0, IMP::Int a1)
5820  set_value(LennardJones self, FloatsKey a0, IMP::Floats a1)
5821  set_value(LennardJones self, IntsKey a0, IMP::Ints a1)
5822  set_value(LennardJones self, StringKey a0, IMP::String a1)
5823  set_value(LennardJones self, ParticleIndexKey a0, Particle a1)
5824  set_value(LennardJones self, ObjectKey a0, Object a1)
5825  """
5826  return _IMP_atom.LennardJones_set_value(self, *args)
5827 
5828 
5829  def remove_attribute(self, *args):
5830  """
5831  remove_attribute(LennardJones self, FloatKey a0)
5832  remove_attribute(LennardJones self, IntKey a0)
5833  remove_attribute(LennardJones self, FloatsKey a0)
5834  remove_attribute(LennardJones self, IntsKey a0)
5835  remove_attribute(LennardJones self, StringKey a0)
5836  remove_attribute(LennardJones self, ParticleIndexKey a0)
5837  remove_attribute(LennardJones self, ObjectKey a0)
5838  """
5839  return _IMP_atom.LennardJones_remove_attribute(self, *args)
5840 
5841 
5842  def has_attribute(self, *args):
5843  """
5844  has_attribute(LennardJones self, FloatKey a0) -> bool
5845  has_attribute(LennardJones self, IntKey a0) -> bool
5846  has_attribute(LennardJones self, FloatsKey a0) -> bool
5847  has_attribute(LennardJones self, IntsKey a0) -> bool
5848  has_attribute(LennardJones self, StringKey a0) -> bool
5849  has_attribute(LennardJones self, ParticleIndexKey a0) -> bool
5850  has_attribute(LennardJones self, ObjectKey a0) -> bool
5851  """
5852  return _IMP_atom.LennardJones_has_attribute(self, *args)
5853 
5854 
5855  def get_derivative(self, a0):
5856  """get_derivative(LennardJones self, FloatKey a0) -> double"""
5857  return _IMP_atom.LennardJones_get_derivative(self, a0)
5858 
5859 
5860  def get_name(self):
5861  """get_name(LennardJones self) -> std::string"""
5862  return _IMP_atom.LennardJones_get_name(self)
5863 
5864 
5865  def clear_caches(self):
5866  """clear_caches(LennardJones self)"""
5867  return _IMP_atom.LennardJones_clear_caches(self)
5868 
5869 
5870  def set_name(self, a0):
5871  """set_name(LennardJones self, std::string a0)"""
5872  return _IMP_atom.LennardJones_set_name(self, a0)
5873 
5874 
5875  def set_check_level(self, a0):
5876  """set_check_level(LennardJones self, IMP::CheckLevel a0)"""
5877  return _IMP_atom.LennardJones_set_check_level(self, a0)
5878 
5879 
5880  def add_to_derivative(self, a0, a1, a2):
5881  """add_to_derivative(LennardJones self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5882  return _IMP_atom.LennardJones_add_to_derivative(self, a0, a1, a2)
5883 
5884 
5885  def set_is_optimized(self, a0, a1):
5886  """set_is_optimized(LennardJones self, FloatKey a0, bool a1)"""
5887  return _IMP_atom.LennardJones_set_is_optimized(self, a0, a1)
5888 
5889 
5890  def get_is_optimized(self, a0):
5891  """get_is_optimized(LennardJones self, FloatKey a0) -> bool"""
5892  return _IMP_atom.LennardJones_get_is_optimized(self, a0)
5893 
5894 
5895  def get_check_level(self):
5896  """get_check_level(LennardJones self) -> IMP::CheckLevel"""
5897  return _IMP_atom.LennardJones_get_check_level(self)
5898 
5899 
5900  def __eq__(self, *args):
5901  """
5902  __eq__(LennardJones self, LennardJones o) -> bool
5903  __eq__(LennardJones self, Particle d) -> bool
5904  """
5905  return _IMP_atom.LennardJones___eq__(self, *args)
5906 
5907 
5908  def __ne__(self, *args):
5909  """
5910  __ne__(LennardJones self, LennardJones o) -> bool
5911  __ne__(LennardJones self, Particle d) -> bool
5912  """
5913  return _IMP_atom.LennardJones___ne__(self, *args)
5914 
5915 
5916  def __le__(self, *args):
5917  """
5918  __le__(LennardJones self, LennardJones o) -> bool
5919  __le__(LennardJones self, Particle d) -> bool
5920  """
5921  return _IMP_atom.LennardJones___le__(self, *args)
5922 
5923 
5924  def __lt__(self, *args):
5925  """
5926  __lt__(LennardJones self, LennardJones o) -> bool
5927  __lt__(LennardJones self, Particle d) -> bool
5928  """
5929  return _IMP_atom.LennardJones___lt__(self, *args)
5930 
5931 
5932  def __ge__(self, *args):
5933  """
5934  __ge__(LennardJones self, LennardJones o) -> bool
5935  __ge__(LennardJones self, Particle d) -> bool
5936  """
5937  return _IMP_atom.LennardJones___ge__(self, *args)
5938 
5939 
5940  def __gt__(self, *args):
5941  """
5942  __gt__(LennardJones self, LennardJones o) -> bool
5943  __gt__(LennardJones self, Particle d) -> bool
5944  """
5945  return _IMP_atom.LennardJones___gt__(self, *args)
5946 
5947 
5948  def __hash__(self):
5949  """__hash__(LennardJones self) -> std::size_t"""
5950  return _IMP_atom.LennardJones___hash__(self)
5951 
5952 
5953  def __str__(self):
5954  """__str__(LennardJones self) -> std::string"""
5955  return _IMP_atom.LennardJones___str__(self)
5956 
5957 
5958  def __repr__(self):
5959  """__repr__(LennardJones self) -> std::string"""
5960  return _IMP_atom.LennardJones___repr__(self)
5961 
5962  __swig_destroy__ = _IMP_atom.delete_LennardJones
5963  __del__ = lambda self: None
5964 LennardJones_swigregister = _IMP_atom.LennardJones_swigregister
5965 LennardJones_swigregister(LennardJones)
5966 
5967 def LennardJones_setup_particle(*args):
5968  """
5969  setup_particle(Model m, ParticleIndex pi) -> LennardJones
5970  setup_particle(_ParticleAdaptor decorator) -> LennardJones
5971  setup_particle(Model m, ParticleIndex pi, IMP::Float well_depth) -> LennardJones
5972  LennardJones_setup_particle(_ParticleAdaptor decorator, IMP::Float well_depth) -> LennardJones
5973  """
5974  return _IMP_atom.LennardJones_setup_particle(*args)
5975 
5976 def LennardJones_get_is_setup(*args):
5977  """
5978  get_is_setup(_ParticleAdaptor p) -> bool
5979  LennardJones_get_is_setup(Model m, ParticleIndex pi) -> bool
5980  """
5981  return _IMP_atom.LennardJones_get_is_setup(*args)
5982 
5983 def LennardJones_get_well_depth_key():
5984  """LennardJones_get_well_depth_key() -> FloatKey"""
5985  return _IMP_atom.LennardJones_get_well_depth_key()
5986 
5987 class LennardJonesPairScore(IMP.PairScore):
5988  """Proxy of C++ IMP::atom::LennardJonesPairScore class"""
5989  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5990 
5991  def __init__(self, f):
5992  """__init__(IMP::atom::LennardJonesPairScore self, SmoothingFunction f) -> LennardJonesPairScore"""
5993  this = _IMP_atom.new_LennardJonesPairScore(f)
5994  try:
5995  self.this.append(this)
5996  except:
5997  self.this = this
5998 
5999  def set_repulsive_weight(self, repulsive_weight):
6000  """set_repulsive_weight(LennardJonesPairScore self, double repulsive_weight)"""
6001  return _IMP_atom.LennardJonesPairScore_set_repulsive_weight(self, repulsive_weight)
6002 
6003 
6004  def get_repulsive_weight(self):
6005  """get_repulsive_weight(LennardJonesPairScore self) -> double"""
6006  return _IMP_atom.LennardJonesPairScore_get_repulsive_weight(self)
6007 
6008 
6009  def set_attractive_weight(self, attractive_weight):
6010  """set_attractive_weight(LennardJonesPairScore self, double attractive_weight)"""
6011  return _IMP_atom.LennardJonesPairScore_set_attractive_weight(self, attractive_weight)
6012 
6013 
6014  def get_attractive_weight(self):
6015  """get_attractive_weight(LennardJonesPairScore self) -> double"""
6016  return _IMP_atom.LennardJonesPairScore_get_attractive_weight(self)
6017 
6018 
6019  def do_get_inputs(self, m, pis):
6020  """do_get_inputs(LennardJonesPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6021  return _IMP_atom.LennardJonesPairScore_do_get_inputs(self, m, pis)
6022 
6023 
6024  def get_version_info(self):
6025  """get_version_info(LennardJonesPairScore self) -> VersionInfo"""
6026  return _IMP_atom.LennardJonesPairScore_get_version_info(self)
6027 
6028 
6029  def __str__(self):
6030  """__str__(LennardJonesPairScore self) -> std::string"""
6031  return _IMP_atom.LennardJonesPairScore___str__(self)
6032 
6033 
6034  def __repr__(self):
6035  """__repr__(LennardJonesPairScore self) -> std::string"""
6036  return _IMP_atom.LennardJonesPairScore___repr__(self)
6037 
6038 
6039  @staticmethod
6040  def get_from(o):
6041  return _object_cast_to_LennardJonesPairScore(o)
6042 
6043 LennardJonesPairScore_swigregister = _IMP_atom.LennardJonesPairScore_swigregister
6044 LennardJonesPairScore_swigregister(LennardJonesPairScore)
6045 
6046 class LinearVelocity(IMP.Decorator):
6047  """Proxy of C++ IMP::atom::LinearVelocity class"""
6048  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6049 
6050  def __init__(self, *args):
6051  """
6052  __init__(IMP::atom::LinearVelocity self) -> LinearVelocity
6053  __init__(IMP::atom::LinearVelocity self, Model m, ParticleIndex id) -> LinearVelocity
6054  __init__(IMP::atom::LinearVelocity self, _ParticleAdaptor d) -> LinearVelocity
6055  """
6056  this = _IMP_atom.new_LinearVelocity(*args)
6057  try:
6058  self.this.append(this)
6059  except:
6060  self.this = this
6061 
6062  def get_is_setup(*args):
6063  """
6064  get_is_setup(Model m, ParticleIndex pi) -> bool
6065  get_is_setup(_ParticleAdaptor p) -> bool
6066  """
6067  return _IMP_atom.LinearVelocity_get_is_setup(*args)
6068 
6069  get_is_setup = staticmethod(get_is_setup)
6070 
6071  def show(self, *args):
6072  """
6073  show(LinearVelocity self, _ostream out)
6074  show(LinearVelocity self)
6075  """
6076  return _IMP_atom.LinearVelocity_show(self, *args)
6077 
6078 
6079  def setup_particle(*args):
6080  """
6081  setup_particle(Model m, ParticleIndex pi) -> LinearVelocity
6082  setup_particle(_ParticleAdaptor decorator) -> LinearVelocity
6083  setup_particle(Model m, ParticleIndex pi, Vector3D v) -> LinearVelocity
6084  setup_particle(_ParticleAdaptor decorator, Vector3D v) -> LinearVelocity
6085  """
6086  return _IMP_atom.LinearVelocity_setup_particle(*args)
6087 
6088  setup_particle = staticmethod(setup_particle)
6089 
6090  def set_velocity(self, v):
6091  """set_velocity(LinearVelocity self, Vector3D v)"""
6092  return _IMP_atom.LinearVelocity_set_velocity(self, v)
6093 
6094 
6095  def get_velocity(self):
6096  """get_velocity(LinearVelocity self) -> Vector3D"""
6097  return _IMP_atom.LinearVelocity_get_velocity(self)
6098 
6099 
6100  def add_attribute(self, *args):
6101  """
6102  add_attribute(LinearVelocity self, FloatKey k, IMP::Float v, bool opt)
6103  add_attribute(LinearVelocity self, FloatKey a0, IMP::Float a1)
6104  add_attribute(LinearVelocity self, IntKey a0, IMP::Int a1)
6105  add_attribute(LinearVelocity self, FloatsKey a0, IMP::Floats a1)
6106  add_attribute(LinearVelocity self, IntsKey a0, IMP::Ints a1)
6107  add_attribute(LinearVelocity self, StringKey a0, IMP::String a1)
6108  add_attribute(LinearVelocity self, ParticleIndexKey a0, Particle a1)
6109  add_attribute(LinearVelocity self, ObjectKey a0, Object a1)
6110  """
6111  return _IMP_atom.LinearVelocity_add_attribute(self, *args)
6112 
6113 
6114  def get_value(self, *args):
6115  """
6116  get_value(LinearVelocity self, FloatKey a0) -> IMP::Float
6117  get_value(LinearVelocity self, IntKey a0) -> IMP::Int
6118  get_value(LinearVelocity self, FloatsKey a0) -> IMP::Floats
6119  get_value(LinearVelocity self, IntsKey a0) -> IMP::Ints
6120  get_value(LinearVelocity self, StringKey a0) -> IMP::String
6121  get_value(LinearVelocity self, ParticleIndexKey a0) -> Particle
6122  get_value(LinearVelocity self, ObjectKey a0) -> Object
6123  """
6124  return _IMP_atom.LinearVelocity_get_value(self, *args)
6125 
6126 
6127  def set_value(self, *args):
6128  """
6129  set_value(LinearVelocity self, FloatKey a0, IMP::Float a1)
6130  set_value(LinearVelocity self, IntKey a0, IMP::Int a1)
6131  set_value(LinearVelocity self, FloatsKey a0, IMP::Floats a1)
6132  set_value(LinearVelocity self, IntsKey a0, IMP::Ints a1)
6133  set_value(LinearVelocity self, StringKey a0, IMP::String a1)
6134  set_value(LinearVelocity self, ParticleIndexKey a0, Particle a1)
6135  set_value(LinearVelocity self, ObjectKey a0, Object a1)
6136  """
6137  return _IMP_atom.LinearVelocity_set_value(self, *args)
6138 
6139 
6140  def remove_attribute(self, *args):
6141  """
6142  remove_attribute(LinearVelocity self, FloatKey a0)
6143  remove_attribute(LinearVelocity self, IntKey a0)
6144  remove_attribute(LinearVelocity self, FloatsKey a0)
6145  remove_attribute(LinearVelocity self, IntsKey a0)
6146  remove_attribute(LinearVelocity self, StringKey a0)
6147  remove_attribute(LinearVelocity self, ParticleIndexKey a0)
6148  remove_attribute(LinearVelocity self, ObjectKey a0)
6149  """
6150  return _IMP_atom.LinearVelocity_remove_attribute(self, *args)
6151 
6152 
6153  def has_attribute(self, *args):
6154  """
6155  has_attribute(LinearVelocity self, FloatKey a0) -> bool
6156  has_attribute(LinearVelocity self, IntKey a0) -> bool
6157  has_attribute(LinearVelocity self, FloatsKey a0) -> bool
6158  has_attribute(LinearVelocity self, IntsKey a0) -> bool
6159  has_attribute(LinearVelocity self, StringKey a0) -> bool
6160  has_attribute(LinearVelocity self, ParticleIndexKey a0) -> bool
6161  has_attribute(LinearVelocity self, ObjectKey a0) -> bool
6162  """
6163  return _IMP_atom.LinearVelocity_has_attribute(self, *args)
6164 
6165 
6166  def get_derivative(self, a0):
6167  """get_derivative(LinearVelocity self, FloatKey a0) -> double"""
6168  return _IMP_atom.LinearVelocity_get_derivative(self, a0)
6169 
6170 
6171  def get_name(self):
6172  """get_name(LinearVelocity self) -> std::string"""
6173  return _IMP_atom.LinearVelocity_get_name(self)
6174 
6175 
6176  def clear_caches(self):
6177  """clear_caches(LinearVelocity self)"""
6178  return _IMP_atom.LinearVelocity_clear_caches(self)
6179 
6180 
6181  def set_name(self, a0):
6182  """set_name(LinearVelocity self, std::string a0)"""
6183  return _IMP_atom.LinearVelocity_set_name(self, a0)
6184 
6185 
6186  def set_check_level(self, a0):
6187  """set_check_level(LinearVelocity self, IMP::CheckLevel a0)"""
6188  return _IMP_atom.LinearVelocity_set_check_level(self, a0)
6189 
6190 
6191  def add_to_derivative(self, a0, a1, a2):
6192  """add_to_derivative(LinearVelocity self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
6193  return _IMP_atom.LinearVelocity_add_to_derivative(self, a0, a1, a2)
6194 
6195 
6196  def set_is_optimized(self, a0, a1):
6197  """set_is_optimized(LinearVelocity self, FloatKey a0, bool a1)"""
6198  return _IMP_atom.LinearVelocity_set_is_optimized(self, a0, a1)
6199 
6200 
6201  def get_is_optimized(self, a0):
6202  """get_is_optimized(LinearVelocity self, FloatKey a0) -> bool"""
6203  return _IMP_atom.LinearVelocity_get_is_optimized(self, a0)
6204 
6205 
6206  def get_check_level(self):
6207  """get_check_level(LinearVelocity self) -> IMP::CheckLevel"""
6208  return _IMP_atom.LinearVelocity_get_check_level(self)
6209 
6210 
6211  def __eq__(self, *args):
6212  """
6213  __eq__(LinearVelocity self, LinearVelocity o) -> bool
6214  __eq__(LinearVelocity self, Particle d) -> bool
6215  """
6216  return _IMP_atom.LinearVelocity___eq__(self, *args)
6217 
6218 
6219  def __ne__(self, *args):
6220  """
6221  __ne__(LinearVelocity self, LinearVelocity o) -> bool
6222  __ne__(LinearVelocity self, Particle d) -> bool
6223  """
6224  return _IMP_atom.LinearVelocity___ne__(self, *args)
6225 
6226 
6227  def __le__(self, *args):
6228  """
6229  __le__(LinearVelocity self, LinearVelocity o) -> bool
6230  __le__(LinearVelocity self, Particle d) -> bool
6231  """
6232  return _IMP_atom.LinearVelocity___le__(self, *args)
6233 
6234 
6235  def __lt__(self, *args):
6236  """
6237  __lt__(LinearVelocity self, LinearVelocity o) -> bool
6238  __lt__(LinearVelocity self, Particle d) -> bool
6239  """
6240  return _IMP_atom.LinearVelocity___lt__(self, *args)
6241 
6242 
6243  def __ge__(self, *args):
6244  """
6245  __ge__(LinearVelocity self, LinearVelocity o) -> bool
6246  __ge__(LinearVelocity self, Particle d) -> bool
6247  """
6248  return _IMP_atom.LinearVelocity___ge__(self, *args)
6249 
6250 
6251  def __gt__(self, *args):
6252  """
6253  __gt__(LinearVelocity self, LinearVelocity o) -> bool
6254  __gt__(LinearVelocity self, Particle d) -> bool
6255  """
6256  return _IMP_atom.LinearVelocity___gt__(self, *args)
6257 
6258 
6259  def __hash__(self):
6260  """__hash__(LinearVelocity self) -> std::size_t"""
6261  return _IMP_atom.LinearVelocity___hash__(self)
6262 
6263 
6264  def __str__(self):
6265  """__str__(LinearVelocity self) -> std::string"""
6266  return _IMP_atom.LinearVelocity___str__(self)
6267 
6268 
6269  def __repr__(self):
6270  """__repr__(LinearVelocity self) -> std::string"""
6271  return _IMP_atom.LinearVelocity___repr__(self)
6272 
6273  __swig_destroy__ = _IMP_atom.delete_LinearVelocity
6274  __del__ = lambda self: None
6275 LinearVelocity_swigregister = _IMP_atom.LinearVelocity_swigregister
6276 LinearVelocity_swigregister(LinearVelocity)
6277 
6278 def LinearVelocity_get_is_setup(*args):
6279  """
6280  get_is_setup(Model m, ParticleIndex pi) -> bool
6281  LinearVelocity_get_is_setup(_ParticleAdaptor p) -> bool
6282  """
6283  return _IMP_atom.LinearVelocity_get_is_setup(*args)
6284 
6285 def LinearVelocity_setup_particle(*args):
6286  """
6287  setup_particle(Model m, ParticleIndex pi) -> LinearVelocity
6288  setup_particle(_ParticleAdaptor decorator) -> LinearVelocity
6289  setup_particle(Model m, ParticleIndex pi, Vector3D v) -> LinearVelocity
6290  LinearVelocity_setup_particle(_ParticleAdaptor decorator, Vector3D v) -> LinearVelocity
6291  """
6292  return _IMP_atom.LinearVelocity_setup_particle(*args)
6293 
6294 class AngularVelocity(IMP.Decorator):
6295  """Proxy of C++ IMP::atom::AngularVelocity class"""
6296  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6297 
6298  def __init__(self, *args):
6299  """
6300  __init__(IMP::atom::AngularVelocity self) -> AngularVelocity
6301  __init__(IMP::atom::AngularVelocity self, Model m, ParticleIndex id) -> AngularVelocity
6302  __init__(IMP::atom::AngularVelocity self, _ParticleAdaptor d) -> AngularVelocity
6303  """
6304  this = _IMP_atom.new_AngularVelocity(*args)
6305  try:
6306  self.this.append(this)
6307  except:
6308  self.this = this
6309 
6310  def get_is_setup(*args):
6311  """
6312  get_is_setup(Model m, ParticleIndex pi) -> bool
6313  get_is_setup(_ParticleAdaptor p) -> bool
6314  """
6315  return _IMP_atom.AngularVelocity_get_is_setup(*args)
6316 
6317  get_is_setup = staticmethod(get_is_setup)
6318 
6319  def show(self, *args):
6320  """
6321  show(AngularVelocity self, _ostream out)
6322  show(AngularVelocity self)
6323  """
6324  return _IMP_atom.AngularVelocity_show(self, *args)
6325 
6326 
6327  def setup_particle(*args):
6328  """
6329  setup_particle(Model m, ParticleIndex pi) -> AngularVelocity
6330  setup_particle(_ParticleAdaptor decorator) -> AngularVelocity
6331  setup_particle(Model m, ParticleIndex pi, Vector4D v) -> AngularVelocity
6332  setup_particle(_ParticleAdaptor decorator, Vector4D v) -> AngularVelocity
6333  """
6334  return _IMP_atom.AngularVelocity_setup_particle(*args)
6335 
6336  setup_particle = staticmethod(setup_particle)
6337 
6338  def set_velocity(self, v):
6339  """set_velocity(AngularVelocity self, Vector4D v)"""
6340  return _IMP_atom.AngularVelocity_set_velocity(self, v)
6341 
6342 
6343  def get_velocity(self):
6344  """get_velocity(AngularVelocity self) -> Vector4D"""
6345  return _IMP_atom.AngularVelocity_get_velocity(self)
6346 
6347 
6348  def add_attribute(self, *args):
6349  """
6350  add_attribute(AngularVelocity self, FloatKey k, IMP::Float v, bool opt)
6351  add_attribute(AngularVelocity self, FloatKey a0, IMP::Float a1)
6352  add_attribute(AngularVelocity self, IntKey a0, IMP::Int a1)
6353  add_attribute(AngularVelocity self, FloatsKey a0, IMP::Floats a1)
6354  add_attribute(AngularVelocity self, IntsKey a0, IMP::Ints a1)
6355  add_attribute(AngularVelocity self, StringKey a0, IMP::String a1)
6356  add_attribute(AngularVelocity self, ParticleIndexKey a0, Particle a1)
6357  add_attribute(AngularVelocity self, ObjectKey a0, Object a1)
6358  """
6359  return _IMP_atom.AngularVelocity_add_attribute(self, *args)
6360 
6361 
6362  def get_value(self, *args):
6363  """
6364  get_value(AngularVelocity self, FloatKey a0) -> IMP::Float
6365  get_value(AngularVelocity self, IntKey a0) -> IMP::Int
6366  get_value(AngularVelocity self, FloatsKey a0) -> IMP::Floats
6367  get_value(AngularVelocity self, IntsKey a0) -> IMP::Ints
6368  get_value(AngularVelocity self, StringKey a0) -> IMP::String
6369  get_value(AngularVelocity self, ParticleIndexKey a0) -> Particle
6370  get_value(AngularVelocity self, ObjectKey a0) -> Object
6371  """
6372  return _IMP_atom.AngularVelocity_get_value(self, *args)
6373 
6374 
6375  def set_value(self, *args):
6376  """
6377  set_value(AngularVelocity self, FloatKey a0, IMP::Float a1)
6378  set_value(AngularVelocity self, IntKey a0, IMP::Int a1)
6379  set_value(AngularVelocity self, FloatsKey a0, IMP::Floats a1)
6380  set_value(AngularVelocity self, IntsKey a0, IMP::Ints a1)
6381  set_value(AngularVelocity self, StringKey a0, IMP::String a1)
6382  set_value(AngularVelocity self, ParticleIndexKey a0, Particle a1)
6383  set_value(AngularVelocity self, ObjectKey a0, Object a1)
6384  """
6385  return _IMP_atom.AngularVelocity_set_value(self, *args)
6386 
6387 
6388  def remove_attribute(self, *args):
6389  """
6390  remove_attribute(AngularVelocity self, FloatKey a0)
6391  remove_attribute(AngularVelocity self, IntKey a0)
6392  remove_attribute(AngularVelocity self, FloatsKey a0)
6393  remove_attribute(AngularVelocity self, IntsKey a0)
6394  remove_attribute(AngularVelocity self, StringKey a0)
6395  remove_attribute(AngularVelocity self, ParticleIndexKey a0)
6396  remove_attribute(AngularVelocity self, ObjectKey a0)
6397  """
6398  return _IMP_atom.AngularVelocity_remove_attribute(self, *args)
6399 
6400 
6401  def has_attribute(self, *args):
6402  """
6403  has_attribute(AngularVelocity self, FloatKey a0) -> bool
6404  has_attribute(AngularVelocity self, IntKey a0) -> bool
6405  has_attribute(AngularVelocity self, FloatsKey a0) -> bool
6406  has_attribute(AngularVelocity self, IntsKey a0) -> bool
6407  has_attribute(AngularVelocity self, StringKey a0) -> bool
6408  has_attribute(AngularVelocity self, ParticleIndexKey a0) -> bool
6409  has_attribute(AngularVelocity self, ObjectKey a0) -> bool
6410  """
6411  return _IMP_atom.AngularVelocity_has_attribute(self, *args)
6412 
6413 
6414  def get_derivative(self, a0):
6415  """get_derivative(AngularVelocity self, FloatKey a0) -> double"""
6416  return _IMP_atom.AngularVelocity_get_derivative(self, a0)
6417 
6418 
6419  def get_name(self):
6420  """get_name(AngularVelocity self) -> std::string"""
6421  return _IMP_atom.AngularVelocity_get_name(self)
6422 
6423 
6424  def clear_caches(self):
6425  """clear_caches(AngularVelocity self)"""
6426  return _IMP_atom.AngularVelocity_clear_caches(self)
6427 
6428 
6429  def set_name(self, a0):
6430  """set_name(AngularVelocity self, std::string a0)"""
6431  return _IMP_atom.AngularVelocity_set_name(self, a0)
6432 
6433 
6434  def set_check_level(self, a0):
6435  """set_check_level(AngularVelocity self, IMP::CheckLevel a0)"""
6436  return _IMP_atom.AngularVelocity_set_check_level(self, a0)
6437 
6438 
6439  def add_to_derivative(self, a0, a1, a2):
6440  """add_to_derivative(AngularVelocity self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
6441  return _IMP_atom.AngularVelocity_add_to_derivative(self, a0, a1, a2)
6442 
6443 
6444  def set_is_optimized(self, a0, a1):
6445  """set_is_optimized(AngularVelocity self, FloatKey a0, bool a1)"""
6446  return _IMP_atom.AngularVelocity_set_is_optimized(self, a0, a1)
6447 
6448 
6449  def get_is_optimized(self, a0):
6450  """get_is_optimized(AngularVelocity self, FloatKey a0) -> bool"""
6451  return _IMP_atom.AngularVelocity_get_is_optimized(self, a0)
6452 
6453 
6454  def get_check_level(self):
6455  """get_check_level(AngularVelocity self) -> IMP::CheckLevel"""
6456  return _IMP_atom.AngularVelocity_get_check_level(self)
6457 
6458 
6459  def __eq__(self, *args):
6460  """
6461  __eq__(AngularVelocity self, AngularVelocity o) -> bool
6462  __eq__(AngularVelocity self, Particle d) -> bool
6463  """
6464  return _IMP_atom.AngularVelocity___eq__(self, *args)
6465 
6466 
6467  def __ne__(self, *args):
6468  """
6469  __ne__(AngularVelocity self, AngularVelocity o) -> bool
6470  __ne__(AngularVelocity self, Particle d) -> bool
6471  """
6472  return _IMP_atom.AngularVelocity___ne__(self, *args)
6473 
6474 
6475  def __le__(self, *args):
6476  """
6477  __le__(AngularVelocity self, AngularVelocity o) -> bool
6478  __le__(AngularVelocity self, Particle d) -> bool
6479  """
6480  return _IMP_atom.AngularVelocity___le__(self, *args)
6481 
6482 
6483  def __lt__(self, *args):
6484  """
6485  __lt__(AngularVelocity self, AngularVelocity o) -> bool
6486  __lt__(AngularVelocity self, Particle d) -> bool
6487  """
6488  return _IMP_atom.AngularVelocity___lt__(self, *args)
6489 
6490 
6491  def __ge__(self, *args):
6492  """
6493  __ge__(AngularVelocity self, AngularVelocity o) -> bool
6494  __ge__(AngularVelocity self, Particle d) -> bool
6495  """
6496  return _IMP_atom.AngularVelocity___ge__(self, *args)
6497 
6498 
6499  def __gt__(self, *args):
6500  """
6501  __gt__(AngularVelocity self, AngularVelocity o) -> bool
6502  __gt__(AngularVelocity self, Particle d) -> bool
6503  """
6504  return _IMP_atom.AngularVelocity___gt__(self, *args)
6505 
6506 
6507  def __hash__(self):
6508  """__hash__(AngularVelocity self) -> std::size_t"""
6509  return _IMP_atom.AngularVelocity___hash__(self)
6510 
6511 
6512  def __str__(self):
6513  """__str__(AngularVelocity self) -> std::string"""
6514  return _IMP_atom.AngularVelocity___str__(self)
6515 
6516 
6517  def __repr__(self):
6518  """__repr__(AngularVelocity self) -> std::string"""
6519  return _IMP_atom.AngularVelocity___repr__(self)
6520 
6521  __swig_destroy__ = _IMP_atom.delete_AngularVelocity
6522  __del__ = lambda self: None
6523 AngularVelocity_swigregister = _IMP_atom.AngularVelocity_swigregister
6524 AngularVelocity_swigregister(AngularVelocity)
6525 
6526 def AngularVelocity_get_is_setup(*args):
6527  """
6528  get_is_setup(Model m, ParticleIndex pi) -> bool
6529  AngularVelocity_get_is_setup(_ParticleAdaptor p) -> bool
6530  """
6531  return _IMP_atom.AngularVelocity_get_is_setup(*args)
6532 
6533 def AngularVelocity_setup_particle(*args):
6534  """
6535  setup_particle(Model m, ParticleIndex pi) -> AngularVelocity
6536  setup_particle(_ParticleAdaptor decorator) -> AngularVelocity
6537  setup_particle(Model m, ParticleIndex pi, Vector4D v) -> AngularVelocity
6538  AngularVelocity_setup_particle(_ParticleAdaptor decorator, Vector4D v) -> AngularVelocity
6539  """
6540  return _IMP_atom.AngularVelocity_setup_particle(*args)
6541 
6542 class MolecularDynamics(Simulator):
6543  """Proxy of C++ IMP::atom::MolecularDynamics class"""
6544  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6545 
6546  def __init__(self, m):
6547  """__init__(IMP::atom::MolecularDynamics self, Model m) -> MolecularDynamics"""
6548  this = _IMP_atom.new_MolecularDynamics(m)
6549  try:
6550  self.this.append(this)
6551  except:
6552  self.this = this
6553 
6554  def get_kinetic_energy(self):
6555  """get_kinetic_energy(MolecularDynamics self) -> IMP::Float"""
6556  return _IMP_atom.MolecularDynamics_get_kinetic_energy(self)
6557 
6558 
6559  def get_kinetic_temperature(self, ekinetic):
6560  """get_kinetic_temperature(MolecularDynamics self, IMP::Float ekinetic) -> IMP::Float"""
6561  return _IMP_atom.MolecularDynamics_get_kinetic_temperature(self, ekinetic)
6562 
6563 
6564  def set_velocity_cap(self, velocity_cap):
6565  """set_velocity_cap(MolecularDynamics self, IMP::Float velocity_cap)"""
6566  return _IMP_atom.MolecularDynamics_set_velocity_cap(self, velocity_cap)
6567 
6568 
6569  def assign_velocities(self, temperature):
6570  """assign_velocities(MolecularDynamics self, IMP::Float temperature)"""
6571  return _IMP_atom.MolecularDynamics_assign_velocities(self, temperature)
6572 
6573 
6574  def setup(self, ps):
6575  """setup(MolecularDynamics self, IMP::ParticleIndexes const & ps)"""
6576  return _IMP_atom.MolecularDynamics_setup(self, ps)
6577 
6578 
6579  def do_step(self, sc, dt):
6580  """do_step(MolecularDynamics self, IMP::ParticleIndexes const & sc, double dt) -> double"""
6581  return _IMP_atom.MolecularDynamics_do_step(self, sc, dt)
6582 
6583 
6584  def get_is_simulation_particle(self, p):
6585  """get_is_simulation_particle(MolecularDynamics self, ParticleIndex p) -> bool"""
6586  return _IMP_atom.MolecularDynamics_get_is_simulation_particle(self, p)
6587 
6588 
6589  def get_version_info(self):
6590  """get_version_info(MolecularDynamics self) -> VersionInfo"""
6591  return _IMP_atom.MolecularDynamics_get_version_info(self)
6592 
6593 
6594  def __str__(self):
6595  """__str__(MolecularDynamics self) -> std::string"""
6596  return _IMP_atom.MolecularDynamics___str__(self)
6597 
6598 
6599  def __repr__(self):
6600  """__repr__(MolecularDynamics self) -> std::string"""
6601  return _IMP_atom.MolecularDynamics___repr__(self)
6602 
6603 
6604  @staticmethod
6605  def get_from(o):
6606  return _object_cast_to_MolecularDynamics(o)
6607 
6608 MolecularDynamics_swigregister = _IMP_atom.MolecularDynamics_swigregister
6609 MolecularDynamics_swigregister(MolecularDynamics)
6610 
6611 class VelocityScalingOptimizerState(IMP.OptimizerState):
6612  """Proxy of C++ IMP::atom::VelocityScalingOptimizerState class"""
6613  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6614 
6615  def __init__(self, m, pis, temperature):
6616  """__init__(IMP::atom::VelocityScalingOptimizerState self, Model m, _ParticleIndexesAdaptor pis, double temperature) -> VelocityScalingOptimizerState"""
6617  this = _IMP_atom.new_VelocityScalingOptimizerState(m, pis, temperature)
6618  try:
6619  self.this.append(this)
6620  except:
6621  self.this = this
6622 
6623  def set_particles(self, pis):
6624  """set_particles(VelocityScalingOptimizerState self, IMP::Particles const & pis)"""
6625  return _IMP_atom.VelocityScalingOptimizerState_set_particles(self, pis)
6626 
6627 
6628  def set_temperature(self, temperature):
6629  """set_temperature(VelocityScalingOptimizerState self, IMP::Float temperature)"""
6630  return _IMP_atom.VelocityScalingOptimizerState_set_temperature(self, temperature)
6631 
6632 
6633  def rescale_velocities(self):
6634  """rescale_velocities(VelocityScalingOptimizerState self)"""
6635  return _IMP_atom.VelocityScalingOptimizerState_rescale_velocities(self)
6636 
6637 
6638  def get_version_info(self):
6639  """get_version_info(VelocityScalingOptimizerState self) -> VersionInfo"""
6640  return _IMP_atom.VelocityScalingOptimizerState_get_version_info(self)
6641 
6642 
6643  def __str__(self):
6644  """__str__(VelocityScalingOptimizerState self) -> std::string"""
6645  return _IMP_atom.VelocityScalingOptimizerState___str__(self)
6646 
6647 
6648  def __repr__(self):
6649  """__repr__(VelocityScalingOptimizerState self) -> std::string"""
6650  return _IMP_atom.VelocityScalingOptimizerState___repr__(self)
6651 
6652 
6653  @staticmethod
6654  def get_from(o):
6655  return _object_cast_to_VelocityScalingOptimizerState(o)
6656 
6657 VelocityScalingOptimizerState_swigregister = _IMP_atom.VelocityScalingOptimizerState_swigregister
6658 VelocityScalingOptimizerState_swigregister(VelocityScalingOptimizerState)
6659 
6660 class Fragment(Hierarchy):
6661  """Proxy of C++ IMP::atom::Fragment class"""
6662  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6663 
6664  def set_residue_indexes(self, o):
6665  """set_residue_indexes(Fragment self, IMP::Ints o)"""
6666  return _IMP_atom.Fragment_set_residue_indexes(self, o)
6667 
6668 
6669  def get_residue_indexes(self):
6670  """get_residue_indexes(Fragment self) -> IMP::Ints"""
6671  return _IMP_atom.Fragment_get_residue_indexes(self)
6672 
6673 
6674  def get_contains_residue(self, rindex):
6675  """get_contains_residue(Fragment self, int rindex) -> bool"""
6676  return _IMP_atom.Fragment_get_contains_residue(self, rindex)
6677 
6678 
6679  def get_contains_any_sorted_residue(self, rinds):
6680  """get_contains_any_sorted_residue(Fragment self, IMP::Ints const & rinds) -> bool"""
6681  return _IMP_atom.Fragment_get_contains_any_sorted_residue(self, rinds)
6682 
6683 
6684  def __init__(self, *args):
6685  """
6686  __init__(IMP::atom::Fragment self) -> Fragment
6687  __init__(IMP::atom::Fragment self, Model m, ParticleIndex id) -> Fragment
6688  __init__(IMP::atom::Fragment self, _ParticleAdaptor d) -> Fragment
6689  """
6690  this = _IMP_atom.new_Fragment(*args)
6691  try:
6692  self.this.append(this)
6693  except:
6694  self.this = this
6695 
6696  def get_is_setup(*args):
6697  """
6698  get_is_setup(Model m, ParticleIndex pi) -> bool
6699  get_is_setup(_ParticleAdaptor p) -> bool
6700  """
6701  return _IMP_atom.Fragment_get_is_setup(*args)
6702 
6703  get_is_setup = staticmethod(get_is_setup)
6704 
6705  def show(self, *args):
6706  """
6707  show(Fragment self, _ostream out)
6708  show(Fragment self)
6709  """
6710  return _IMP_atom.Fragment_show(self, *args)
6711 
6712 
6713  def setup_particle(*args):
6714  """
6715  setup_particle(Model m, ParticleIndex pi) -> Fragment
6716  setup_particle(_ParticleAdaptor decorator) -> Fragment
6717  setup_particle(Model m, ParticleIndex pi, Fragment other) -> Fragment
6718  setup_particle(_ParticleAdaptor decorator, Fragment other) -> Fragment
6719  setup_particle(Model m, ParticleIndex pi, IMP::Ints residue_indexes) -> Fragment
6720  setup_particle(_ParticleAdaptor decorator, IMP::Ints residue_indexes) -> Fragment
6721  """
6722  return _IMP_atom.Fragment_setup_particle(*args)
6723 
6724  setup_particle = staticmethod(setup_particle)
6725 
6726  def add_attribute(self, *args):
6727  """
6728  add_attribute(Fragment self, FloatKey k, IMP::Float v, bool opt)
6729  add_attribute(Fragment self, FloatKey a0, IMP::Float a1)
6730  add_attribute(Fragment self, IntKey a0, IMP::Int a1)
6731  add_attribute(Fragment self, FloatsKey a0, IMP::Floats a1)
6732  add_attribute(Fragment self, IntsKey a0, IMP::Ints a1)
6733  add_attribute(Fragment self, StringKey a0, IMP::String a1)
6734  add_attribute(Fragment self, ParticleIndexKey a0, Particle a1)
6735  add_attribute(Fragment self, ObjectKey a0, Object a1)
6736  """
6737  return _IMP_atom.Fragment_add_attribute(self, *args)
6738 
6739 
6740  def get_value(self, *args):
6741  """
6742  get_value(Fragment self, FloatKey a0) -> IMP::Float
6743  get_value(Fragment self, IntKey a0) -> IMP::Int
6744  get_value(Fragment self, FloatsKey a0) -> IMP::Floats
6745  get_value(Fragment self, IntsKey a0) -> IMP::Ints
6746  get_value(Fragment self, StringKey a0) -> IMP::String
6747  get_value(Fragment self, ParticleIndexKey a0) -> Particle
6748  get_value(Fragment self, ObjectKey a0) -> Object
6749  """
6750  return _IMP_atom.Fragment_get_value(self, *args)
6751 
6752 
6753  def set_value(self, *args):
6754  """
6755  set_value(Fragment self, FloatKey a0, IMP::Float a1)
6756  set_value(Fragment self, IntKey a0, IMP::Int a1)
6757  set_value(Fragment self, FloatsKey a0, IMP::Floats a1)
6758  set_value(Fragment self, IntsKey a0, IMP::Ints a1)
6759  set_value(Fragment self, StringKey a0, IMP::String a1)
6760  set_value(Fragment self, ParticleIndexKey a0, Particle a1)
6761  set_value(Fragment self, ObjectKey a0, Object a1)
6762  """
6763  return _IMP_atom.Fragment_set_value(self, *args)
6764 
6765 
6766  def remove_attribute(self, *args):
6767  """
6768  remove_attribute(Fragment self, FloatKey a0)
6769  remove_attribute(Fragment self, IntKey a0)
6770  remove_attribute(Fragment self, FloatsKey a0)
6771  remove_attribute(Fragment self, IntsKey a0)
6772  remove_attribute(Fragment self, StringKey a0)
6773  remove_attribute(Fragment self, ParticleIndexKey a0)
6774  remove_attribute(Fragment self, ObjectKey a0)
6775  """
6776  return _IMP_atom.Fragment_remove_attribute(self, *args)
6777 
6778 
6779  def has_attribute(self, *args):
6780  """
6781  has_attribute(Fragment self, FloatKey a0) -> bool
6782  has_attribute(Fragment self, IntKey a0) -> bool
6783  has_attribute(Fragment self, FloatsKey a0) -> bool
6784  has_attribute(Fragment self, IntsKey a0) -> bool
6785  has_attribute(Fragment self, StringKey a0) -> bool
6786  has_attribute(Fragment self, ParticleIndexKey a0) -> bool
6787  has_attribute(Fragment self, ObjectKey a0) -> bool
6788  """
6789  return _IMP_atom.Fragment_has_attribute(self, *args)
6790 
6791 
6792  def get_derivative(self, a0):
6793  """get_derivative(Fragment self, FloatKey a0) -> double"""
6794  return _IMP_atom.Fragment_get_derivative(self, a0)
6795 
6796 
6797  def get_name(self):
6798  """get_name(Fragment self) -> std::string"""
6799  return _IMP_atom.Fragment_get_name(self)
6800 
6801 
6802  def clear_caches(self):
6803  """clear_caches(Fragment self)"""
6804  return _IMP_atom.Fragment_clear_caches(self)
6805 
6806 
6807  def set_name(self, a0):
6808  """set_name(Fragment self, std::string a0)"""
6809  return _IMP_atom.Fragment_set_name(self, a0)
6810 
6811 
6812  def set_check_level(self, a0):
6813  """set_check_level(Fragment self, IMP::CheckLevel a0)"""
6814  return _IMP_atom.Fragment_set_check_level(self, a0)
6815 
6816 
6817  def add_to_derivative(self, a0, a1, a2):
6818  """add_to_derivative(Fragment self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
6819  return _IMP_atom.Fragment_add_to_derivative(self, a0, a1, a2)
6820 
6821 
6822  def set_is_optimized(self, a0, a1):
6823  """set_is_optimized(Fragment self, FloatKey a0, bool a1)"""
6824  return _IMP_atom.Fragment_set_is_optimized(self, a0, a1)
6825 
6826 
6827  def get_is_optimized(self, a0):
6828  """get_is_optimized(Fragment self, FloatKey a0) -> bool"""
6829  return _IMP_atom.Fragment_get_is_optimized(self, a0)
6830 
6831 
6832  def get_check_level(self):
6833  """get_check_level(Fragment self) -> IMP::CheckLevel"""
6834  return _IMP_atom.Fragment_get_check_level(self)
6835 
6836 
6837  def __eq__(self, *args):
6838  """
6839  __eq__(Fragment self, Fragment o) -> bool
6840  __eq__(Fragment self, Particle d) -> bool
6841  """
6842  return _IMP_atom.Fragment___eq__(self, *args)
6843 
6844 
6845  def __ne__(self, *args):
6846  """
6847  __ne__(Fragment self, Fragment o) -> bool
6848  __ne__(Fragment self, Particle d) -> bool
6849  """
6850  return _IMP_atom.Fragment___ne__(self, *args)
6851 
6852 
6853  def __le__(self, *args):
6854  """
6855  __le__(Fragment self, Fragment o) -> bool
6856  __le__(Fragment self, Particle d) -> bool
6857  """
6858  return _IMP_atom.Fragment___le__(self, *args)
6859 
6860 
6861  def __lt__(self, *args):
6862  """
6863  __lt__(Fragment self, Fragment o) -> bool
6864  __lt__(Fragment self, Particle d) -> bool
6865  """
6866  return _IMP_atom.Fragment___lt__(self, *args)
6867 
6868 
6869  def __ge__(self, *args):
6870  """
6871  __ge__(Fragment self, Fragment o) -> bool
6872  __ge__(Fragment self, Particle d) -> bool
6873  """
6874  return _IMP_atom.Fragment___ge__(self, *args)
6875 
6876 
6877  def __gt__(self, *args):
6878  """
6879  __gt__(Fragment self, Fragment o) -> bool
6880  __gt__(Fragment self, Particle d) -> bool
6881  """
6882  return _IMP_atom.Fragment___gt__(self, *args)
6883 
6884 
6885  def __hash__(self):
6886  """__hash__(Fragment self) -> std::size_t"""
6887  return _IMP_atom.Fragment___hash__(self)
6888 
6889 
6890  def __str__(self):
6891  """__str__(Fragment self) -> std::string"""
6892  return _IMP_atom.Fragment___str__(self)
6893 
6894 
6895  def __repr__(self):
6896  """__repr__(Fragment self) -> std::string"""
6897  return _IMP_atom.Fragment___repr__(self)
6898 
6899  __swig_destroy__ = _IMP_atom.delete_Fragment
6900  __del__ = lambda self: None
6901 Fragment_swigregister = _IMP_atom.Fragment_swigregister
6902 Fragment_swigregister(Fragment)
6903 
6904 def Fragment_get_is_setup(*args):
6905  """
6906  get_is_setup(Model m, ParticleIndex pi) -> bool
6907  Fragment_get_is_setup(_ParticleAdaptor p) -> bool
6908  """
6909  return _IMP_atom.Fragment_get_is_setup(*args)
6910 
6911 def Fragment_setup_particle(*args):
6912  """
6913  setup_particle(Model m, ParticleIndex pi) -> Fragment
6914  setup_particle(_ParticleAdaptor decorator) -> Fragment
6915  setup_particle(Model m, ParticleIndex pi, Fragment other) -> Fragment
6916  setup_particle(_ParticleAdaptor decorator, Fragment other) -> Fragment
6917  setup_particle(Model m, ParticleIndex pi, IMP::Ints residue_indexes) -> Fragment
6918  Fragment_setup_particle(_ParticleAdaptor decorator, IMP::Ints residue_indexes) -> Fragment
6919  """
6920  return _IMP_atom.Fragment_setup_particle(*args)
6921 
6922 class StereochemistryPairFilter(IMP.PairPredicate):
6923  """Proxy of C++ IMP::atom::StereochemistryPairFilter class"""
6924  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6925 
6926  def __init__(self):
6927  """__init__(IMP::atom::StereochemistryPairFilter self) -> StereochemistryPairFilter"""
6928  this = _IMP_atom.new_StereochemistryPairFilter()
6929  try:
6930  self.this.append(this)
6931  except:
6932  self.this = this
6933 
6934  def set_bonds(self, bonds):
6935  """set_bonds(StereochemistryPairFilter self, IMP::Particles const & bonds)"""
6936  return _IMP_atom.StereochemistryPairFilter_set_bonds(self, bonds)
6937 
6938 
6939  def set_angles(self, angles):
6940  """set_angles(StereochemistryPairFilter self, IMP::Particles const & angles)"""
6941  return _IMP_atom.StereochemistryPairFilter_set_angles(self, angles)
6942 
6943 
6944  def set_dihedrals(self, dihedrals):
6945  """set_dihedrals(StereochemistryPairFilter self, IMP::Particles const & dihedrals)"""
6946  return _IMP_atom.StereochemistryPairFilter_set_dihedrals(self, dihedrals)
6947 
6948 
6949  def do_get_inputs(self, m, pis):
6950  """do_get_inputs(StereochemistryPairFilter self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6951  return _IMP_atom.StereochemistryPairFilter_do_get_inputs(self, m, pis)
6952 
6953 
6954  def get_value(self, *args):
6955  """
6956  get_value(StereochemistryPairFilter self, IMP::ParticlePair const & a) -> int
6957  get_value(StereochemistryPairFilter self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
6958  """
6959  return _IMP_atom.StereochemistryPairFilter_get_value(self, *args)
6960 
6961 
6962  def get_value_index(self, *args):
6963  """
6964  get_value_index(StereochemistryPairFilter self, Model m, IMP::ParticleIndexPair const & p) -> int
6965  get_value_index(StereochemistryPairFilter self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
6966  """
6967  return _IMP_atom.StereochemistryPairFilter_get_value_index(self, *args)
6968 
6969 
6970  def get_version_info(self):
6971  """get_version_info(StereochemistryPairFilter self) -> VersionInfo"""
6972  return _IMP_atom.StereochemistryPairFilter_get_version_info(self)
6973 
6974 
6975  def __str__(self):
6976  """__str__(StereochemistryPairFilter self) -> std::string"""
6977  return _IMP_atom.StereochemistryPairFilter___str__(self)
6978 
6979 
6980  def __repr__(self):
6981  """__repr__(StereochemistryPairFilter self) -> std::string"""
6982  return _IMP_atom.StereochemistryPairFilter___repr__(self)
6983 
6984 
6985  @staticmethod
6986  def get_from(o):
6987  return _object_cast_to_StereochemistryPairFilter(o)
6988 
6989 StereochemistryPairFilter_swigregister = _IMP_atom.StereochemistryPairFilter_swigregister
6990 StereochemistryPairFilter_swigregister(StereochemistryPairFilter)
6991 
6992 class SoapPairFilter(IMP.PairPredicate):
6993  """Proxy of C++ IMP::atom::SoapPairFilter class"""
6994  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6995 
6996  def __init__(self, library):
6997  """__init__(IMP::atom::SoapPairFilter self, std::string library) -> SoapPairFilter"""
6998  this = _IMP_atom.new_SoapPairFilter(library)
6999  try:
7000  self.this.append(this)
7001  except:
7002  self.this = this
7003 
7004  def do_get_inputs(self, m, pis):
7005  """do_get_inputs(SoapPairFilter self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7006  return _IMP_atom.SoapPairFilter_do_get_inputs(self, m, pis)
7007 
7008 
7009  def get_value(self, *args):
7010  """
7011  get_value(SoapPairFilter self, IMP::ParticlePair const & a) -> int
7012  get_value(SoapPairFilter self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
7013  """
7014  return _IMP_atom.SoapPairFilter_get_value(self, *args)
7015 
7016 
7017  def get_value_index(self, *args):
7018  """
7019  get_value_index(SoapPairFilter self, Model m, IMP::ParticleIndexPair const & p) -> int
7020  get_value_index(SoapPairFilter self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
7021  """
7022  return _IMP_atom.SoapPairFilter_get_value_index(self, *args)
7023 
7024 
7025  def get_version_info(self):
7026  """get_version_info(SoapPairFilter self) -> VersionInfo"""
7027  return _IMP_atom.SoapPairFilter_get_version_info(self)
7028 
7029 
7030  def __str__(self):
7031  """__str__(SoapPairFilter self) -> std::string"""
7032  return _IMP_atom.SoapPairFilter___str__(self)
7033 
7034 
7035  def __repr__(self):
7036  """__repr__(SoapPairFilter self) -> std::string"""
7037  return _IMP_atom.SoapPairFilter___repr__(self)
7038 
7039 
7040  @staticmethod
7041  def get_from(o):
7042  return _object_cast_to_SoapPairFilter(o)
7043 
7044 SoapPairFilter_swigregister = _IMP_atom.SoapPairFilter_swigregister
7045 SoapPairFilter_swigregister(SoapPairFilter)
7046 
7047 class Mass(IMP.Decorator):
7048  """Proxy of C++ IMP::atom::Mass class"""
7049  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7050 
7051  def get_mass(self):
7052  """get_mass(Mass self) -> IMP::Float"""
7053  return _IMP_atom.Mass_get_mass(self)
7054 
7055 
7056  def set_mass(self, d):
7057  """set_mass(Mass self, IMP::Float d)"""
7058  return _IMP_atom.Mass_set_mass(self, d)
7059 
7060 
7061  def __init__(self, *args):
7062  """
7063  __init__(IMP::atom::Mass self) -> Mass
7064  __init__(IMP::atom::Mass self, Model m, ParticleIndex id) -> Mass
7065  __init__(IMP::atom::Mass self, _ParticleAdaptor d) -> Mass
7066  """
7067  this = _IMP_atom.new_Mass(*args)
7068  try:
7069  self.this.append(this)
7070  except:
7071  self.this = this
7072 
7073  def get_is_setup(*args):
7074  """
7075  get_is_setup(Model m, ParticleIndex pi) -> bool
7076  get_is_setup(_ParticleAdaptor p) -> bool
7077  """
7078  return _IMP_atom.Mass_get_is_setup(*args)
7079 
7080  get_is_setup = staticmethod(get_is_setup)
7081 
7082  def show(self, *args):
7083  """
7084  show(Mass self, _ostream out)
7085  show(Mass self)
7086  """
7087  return _IMP_atom.Mass_show(self, *args)
7088 
7089 
7090  def setup_particle(*args):
7091  """
7092  setup_particle(Model m, ParticleIndex pi, IMP::Float mass) -> Mass
7093  setup_particle(_ParticleAdaptor decorator, IMP::Float mass) -> Mass
7094  setup_particle(Model m, ParticleIndex pi, Mass other) -> Mass
7095  setup_particle(_ParticleAdaptor decorator, Mass other) -> Mass
7096  """
7097  return _IMP_atom.Mass_setup_particle(*args)
7098 
7099  setup_particle = staticmethod(setup_particle)
7100 
7101  def get_mass_key():
7102  """get_mass_key() -> FloatKey"""
7103  return _IMP_atom.Mass_get_mass_key()
7104 
7105  get_mass_key = staticmethod(get_mass_key)
7106 
7107  def add_attribute(self, *args):
7108  """
7109  add_attribute(Mass self, FloatKey k, IMP::Float v, bool opt)
7110  add_attribute(Mass self, FloatKey a0, IMP::Float a1)
7111  add_attribute(Mass self, IntKey a0, IMP::Int a1)
7112  add_attribute(Mass self, FloatsKey a0, IMP::Floats a1)
7113  add_attribute(Mass self, IntsKey a0, IMP::Ints a1)
7114  add_attribute(Mass self, StringKey a0, IMP::String a1)
7115  add_attribute(Mass self, ParticleIndexKey a0, Particle a1)
7116  add_attribute(Mass self, ObjectKey a0, Object a1)
7117  """
7118  return _IMP_atom.Mass_add_attribute(self, *args)
7119 
7120 
7121  def get_value(self, *args):
7122  """
7123  get_value(Mass self, FloatKey a0) -> IMP::Float
7124  get_value(Mass self, IntKey a0) -> IMP::Int
7125  get_value(Mass self, FloatsKey a0) -> IMP::Floats
7126  get_value(Mass self, IntsKey a0) -> IMP::Ints
7127  get_value(Mass self, StringKey a0) -> IMP::String
7128  get_value(Mass self, ParticleIndexKey a0) -> Particle
7129  get_value(Mass self, ObjectKey a0) -> Object
7130  """
7131  return _IMP_atom.Mass_get_value(self, *args)
7132 
7133 
7134  def set_value(self, *args):
7135  """
7136  set_value(Mass self, FloatKey a0, IMP::Float a1)
7137  set_value(Mass self, IntKey a0, IMP::Int a1)
7138  set_value(Mass self, FloatsKey a0, IMP::Floats a1)
7139  set_value(Mass self, IntsKey a0, IMP::Ints a1)
7140  set_value(Mass self, StringKey a0, IMP::String a1)
7141  set_value(Mass self, ParticleIndexKey a0, Particle a1)
7142  set_value(Mass self, ObjectKey a0, Object a1)
7143  """
7144  return _IMP_atom.Mass_set_value(self, *args)
7145 
7146 
7147  def remove_attribute(self, *args):
7148  """
7149  remove_attribute(Mass self, FloatKey a0)
7150  remove_attribute(Mass self, IntKey a0)
7151  remove_attribute(Mass self, FloatsKey a0)
7152  remove_attribute(Mass self, IntsKey a0)
7153  remove_attribute(Mass self, StringKey a0)
7154  remove_attribute(Mass self, ParticleIndexKey a0)
7155  remove_attribute(Mass self, ObjectKey a0)
7156  """
7157  return _IMP_atom.Mass_remove_attribute(self, *args)
7158 
7159 
7160  def has_attribute(self, *args):
7161  """
7162  has_attribute(Mass self, FloatKey a0) -> bool
7163  has_attribute(Mass self, IntKey a0) -> bool
7164  has_attribute(Mass self, FloatsKey a0) -> bool
7165  has_attribute(Mass self, IntsKey a0) -> bool
7166  has_attribute(Mass self, StringKey a0) -> bool
7167  has_attribute(Mass self, ParticleIndexKey a0) -> bool
7168  has_attribute(Mass self, ObjectKey a0) -> bool
7169  """
7170  return _IMP_atom.Mass_has_attribute(self, *args)
7171 
7172 
7173  def get_derivative(self, a0):
7174  """get_derivative(Mass self, FloatKey a0) -> double"""
7175  return _IMP_atom.Mass_get_derivative(self, a0)
7176 
7177 
7178  def get_name(self):
7179  """get_name(Mass self) -> std::string"""
7180  return _IMP_atom.Mass_get_name(self)
7181 
7182 
7183  def clear_caches(self):
7184  """clear_caches(Mass self)"""
7185  return _IMP_atom.Mass_clear_caches(self)
7186 
7187 
7188  def set_name(self, a0):
7189  """set_name(Mass self, std::string a0)"""
7190  return _IMP_atom.Mass_set_name(self, a0)
7191 
7192 
7193  def set_check_level(self, a0):
7194  """set_check_level(Mass self, IMP::CheckLevel a0)"""
7195  return _IMP_atom.Mass_set_check_level(self, a0)
7196 
7197 
7198  def add_to_derivative(self, a0, a1, a2):
7199  """add_to_derivative(Mass self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7200  return _IMP_atom.Mass_add_to_derivative(self, a0, a1, a2)
7201 
7202 
7203  def set_is_optimized(self, a0, a1):
7204  """set_is_optimized(Mass self, FloatKey a0, bool a1)"""
7205  return _IMP_atom.Mass_set_is_optimized(self, a0, a1)
7206 
7207 
7208  def get_is_optimized(self, a0):
7209  """get_is_optimized(Mass self, FloatKey a0) -> bool"""
7210  return _IMP_atom.Mass_get_is_optimized(self, a0)
7211 
7212 
7213  def get_check_level(self):
7214  """get_check_level(Mass self) -> IMP::CheckLevel"""
7215  return _IMP_atom.Mass_get_check_level(self)
7216 
7217 
7218  def __eq__(self, *args):
7219  """
7220  __eq__(Mass self, Mass o) -> bool
7221  __eq__(Mass self, Particle d) -> bool
7222  """
7223  return _IMP_atom.Mass___eq__(self, *args)
7224 
7225 
7226  def __ne__(self, *args):
7227  """
7228  __ne__(Mass self, Mass o) -> bool
7229  __ne__(Mass self, Particle d) -> bool
7230  """
7231  return _IMP_atom.Mass___ne__(self, *args)
7232 
7233 
7234  def __le__(self, *args):
7235  """
7236  __le__(Mass self, Mass o) -> bool
7237  __le__(Mass self, Particle d) -> bool
7238  """
7239  return _IMP_atom.Mass___le__(self, *args)
7240 
7241 
7242  def __lt__(self, *args):
7243  """
7244  __lt__(Mass self, Mass o) -> bool
7245  __lt__(Mass self, Particle d) -> bool
7246  """
7247  return _IMP_atom.Mass___lt__(self, *args)
7248 
7249 
7250  def __ge__(self, *args):
7251  """
7252  __ge__(Mass self, Mass o) -> bool
7253  __ge__(Mass self, Particle d) -> bool
7254  """
7255  return _IMP_atom.Mass___ge__(self, *args)
7256 
7257 
7258  def __gt__(self, *args):
7259  """
7260  __gt__(Mass self, Mass o) -> bool
7261  __gt__(Mass self, Particle d) -> bool
7262  """
7263  return _IMP_atom.Mass___gt__(self, *args)
7264 
7265 
7266  def __hash__(self):
7267  """__hash__(Mass self) -> std::size_t"""
7268  return _IMP_atom.Mass___hash__(self)
7269 
7270 
7271  def __str__(self):
7272  """__str__(Mass self) -> std::string"""
7273  return _IMP_atom.Mass___str__(self)
7274 
7275 
7276  def __repr__(self):
7277  """__repr__(Mass self) -> std::string"""
7278  return _IMP_atom.Mass___repr__(self)
7279 
7280  __swig_destroy__ = _IMP_atom.delete_Mass
7281  __del__ = lambda self: None
7282 Mass_swigregister = _IMP_atom.Mass_swigregister
7283 Mass_swigregister(Mass)
7284 
7285 def Mass_get_is_setup(*args):
7286  """
7287  get_is_setup(Model m, ParticleIndex pi) -> bool
7288  Mass_get_is_setup(_ParticleAdaptor p) -> bool
7289  """
7290  return _IMP_atom.Mass_get_is_setup(*args)
7291 
7292 def Mass_setup_particle(*args):
7293  """
7294  setup_particle(Model m, ParticleIndex pi, IMP::Float mass) -> Mass
7295  setup_particle(_ParticleAdaptor decorator, IMP::Float mass) -> Mass
7296  setup_particle(Model m, ParticleIndex pi, Mass other) -> Mass
7297  Mass_setup_particle(_ParticleAdaptor decorator, Mass other) -> Mass
7298  """
7299  return _IMP_atom.Mass_setup_particle(*args)
7300 
7301 def Mass_get_mass_key():
7302  """Mass_get_mass_key() -> FloatKey"""
7303  return _IMP_atom.Mass_get_mass_key()
7304 
7305 class BondedPairFilter(IMP.PairPredicate):
7306  """Proxy of C++ IMP::atom::BondedPairFilter class"""
7307  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7308 
7309  def __init__(self):
7310  """__init__(IMP::atom::BondedPairFilter self) -> BondedPairFilter"""
7311  this = _IMP_atom.new_BondedPairFilter()
7312  try:
7313  self.this.append(this)
7314  except:
7315  self.this = this
7316 
7317  def do_get_inputs(self, m, pis):
7318  """do_get_inputs(BondedPairFilter self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7319  return _IMP_atom.BondedPairFilter_do_get_inputs(self, m, pis)
7320 
7321 
7322  def get_value(self, *args):
7323  """
7324  get_value(BondedPairFilter self, IMP::ParticlePair const & a) -> int
7325  get_value(BondedPairFilter self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
7326  """
7327  return _IMP_atom.BondedPairFilter_get_value(self, *args)
7328 
7329 
7330  def get_value_index(self, *args):
7331  """
7332  get_value_index(BondedPairFilter self, Model m, IMP::ParticleIndexPair const & p) -> int
7333  get_value_index(BondedPairFilter self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
7334  """
7335  return _IMP_atom.BondedPairFilter_get_value_index(self, *args)
7336 
7337 
7338  def get_version_info(self):
7339  """get_version_info(BondedPairFilter self) -> VersionInfo"""
7340  return _IMP_atom.BondedPairFilter_get_version_info(self)
7341 
7342 
7343  def __str__(self):
7344  """__str__(BondedPairFilter self) -> std::string"""
7345  return _IMP_atom.BondedPairFilter___str__(self)
7346 
7347 
7348  def __repr__(self):
7349  """__repr__(BondedPairFilter self) -> std::string"""
7350  return _IMP_atom.BondedPairFilter___repr__(self)
7351 
7352 
7353  @staticmethod
7354  def get_from(o):
7355  return _object_cast_to_BondedPairFilter(o)
7356 
7357 BondedPairFilter_swigregister = _IMP_atom.BondedPairFilter_swigregister
7358 BondedPairFilter_swigregister(BondedPairFilter)
7359 
7360 class Mol2Selector(IMP.Object):
7361  """Proxy of C++ IMP::atom::Mol2Selector class"""
7362  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7363 
7364  def __init__(self, *args, **kwargs):
7365  raise AttributeError("No constructor defined - class is abstract")
7366 
7367  def get_is_selected(self, atom_line):
7368  """get_is_selected(Mol2Selector self, std::string const & atom_line) -> bool"""
7369  return _IMP_atom.Mol2Selector_get_is_selected(self, atom_line)
7370 
7371  __swig_destroy__ = _IMP_atom.delete_Mol2Selector
7372  __del__ = lambda self: None
7373 
7374  def __str__(self):
7375  """__str__(Mol2Selector self) -> std::string"""
7376  return _IMP_atom.Mol2Selector___str__(self)
7377 
7378 
7379  def __repr__(self):
7380  """__repr__(Mol2Selector self) -> std::string"""
7381  return _IMP_atom.Mol2Selector___repr__(self)
7382 
7383 
7384  @staticmethod
7385  def get_from(o):
7386  return _object_cast_to_Mol2Selector(o)
7387 
7388 Mol2Selector_swigregister = _IMP_atom.Mol2Selector_swigregister
7389 Mol2Selector_swigregister(Mol2Selector)
7390 
7391 class AllMol2Selector(Mol2Selector):
7392  """Proxy of C++ IMP::atom::AllMol2Selector class"""
7393  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7394 
7395  def __str__(self):
7396  """__str__(AllMol2Selector self) -> std::string"""
7397  return _IMP_atom.AllMol2Selector___str__(self)
7398 
7399 
7400  def __repr__(self):
7401  """__repr__(AllMol2Selector self) -> std::string"""
7402  return _IMP_atom.AllMol2Selector___repr__(self)
7403 
7404 
7405  @staticmethod
7406  def get_from(o):
7407  return _object_cast_to_AllMol2Selector(o)
7408 
7409 
7410  def __init__(self):
7411  """__init__(IMP::atom::AllMol2Selector self) -> AllMol2Selector"""
7412  this = _IMP_atom.new_AllMol2Selector()
7413  try:
7414  self.this.append(this)
7415  except:
7416  self.this = this
7417  __swig_destroy__ = _IMP_atom.delete_AllMol2Selector
7418  __del__ = lambda self: None
7419 AllMol2Selector_swigregister = _IMP_atom.AllMol2Selector_swigregister
7420 AllMol2Selector_swigregister(AllMol2Selector)
7421 
7422 class NonHydrogenMol2Selector(Mol2Selector):
7423  """Proxy of C++ IMP::atom::NonHydrogenMol2Selector class"""
7424  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7425 
7426  def __str__(self):
7427  """__str__(NonHydrogenMol2Selector self) -> std::string"""
7428  return _IMP_atom.NonHydrogenMol2Selector___str__(self)
7429 
7430 
7431  def __repr__(self):
7432  """__repr__(NonHydrogenMol2Selector self) -> std::string"""
7433  return _IMP_atom.NonHydrogenMol2Selector___repr__(self)
7434 
7435 
7436  @staticmethod
7437  def get_from(o):
7438  return _object_cast_to_NonHydrogenMol2Selector(o)
7439 
7440 
7441  def __init__(self):
7442  """__init__(IMP::atom::NonHydrogenMol2Selector self) -> NonHydrogenMol2Selector"""
7443  this = _IMP_atom.new_NonHydrogenMol2Selector()
7444  try:
7445  self.this.append(this)
7446  except:
7447  self.this = this
7448  __swig_destroy__ = _IMP_atom.delete_NonHydrogenMol2Selector
7449  __del__ = lambda self: None
7450 NonHydrogenMol2Selector_swigregister = _IMP_atom.NonHydrogenMol2Selector_swigregister
7451 NonHydrogenMol2Selector_swigregister(NonHydrogenMol2Selector)
7452 
7453 
7454 def read_mol2(mol2_file, model, mol2sel=None):
7455  """
7456  read_mol2(TextInput mol2_file, Model model, Mol2Selector mol2sel=None) -> Hierarchy
7457  read_mol2(TextInput mol2_file, Model model) -> Hierarchy
7458  """
7459  return _IMP_atom.read_mol2(mol2_file, model, mol2sel)
7460 
7461 def write_mol2(rhd, file_name):
7462  """write_mol2(Hierarchy rhd, TextOutput file_name)"""
7463  return _IMP_atom.write_mol2(rhd, file_name)
7464 class SecondaryStructureResidue(IMP.Decorator):
7465  """Proxy of C++ IMP::atom::SecondaryStructureResidue class"""
7466  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7467 
7468  def __init__(self, *args):
7469  """
7470  __init__(IMP::atom::SecondaryStructureResidue self) -> SecondaryStructureResidue
7471  __init__(IMP::atom::SecondaryStructureResidue self, Model m, ParticleIndex id) -> SecondaryStructureResidue
7472  __init__(IMP::atom::SecondaryStructureResidue self, _ParticleAdaptor d) -> SecondaryStructureResidue
7473  """
7474  this = _IMP_atom.new_SecondaryStructureResidue(*args)
7475  try:
7476  self.this.append(this)
7477  except:
7478  self.this = this
7479 
7480  def show(self, *args):
7481  """
7482  show(SecondaryStructureResidue self, _ostream out)
7483  show(SecondaryStructureResidue self)
7484  """
7485  return _IMP_atom.SecondaryStructureResidue_show(self, *args)
7486 
7487 
7488  def setup_particle(*args):
7489  """
7490  setup_particle(Model m, ParticleIndex pi, IMP::Float prob_helix, IMP::Float prob_strand, IMP::Float prob_coil) -> SecondaryStructureResidue
7491  setup_particle(_ParticleAdaptor decorator, IMP::Float prob_helix, IMP::Float prob_strand, IMP::Float prob_coil) -> SecondaryStructureResidue
7492  setup_particle(Particle res_p) -> SecondaryStructureResidue
7493  """
7494  return _IMP_atom.SecondaryStructureResidue_setup_particle(*args)
7495 
7496  setup_particle = staticmethod(setup_particle)
7497 
7498  def get_is_setup(*args):
7499  """
7500  get_is_setup(_ParticleAdaptor p) -> bool
7501  get_is_setup(Model m, ParticleIndex pi) -> bool
7502  """
7503  return _IMP_atom.SecondaryStructureResidue_get_is_setup(*args)
7504 
7505  get_is_setup = staticmethod(get_is_setup)
7506 
7507  def get_particle(self):
7508  """get_particle(SecondaryStructureResidue self) -> Particle"""
7509  return _IMP_atom.SecondaryStructureResidue_get_particle(self)
7510 
7511 
7512  def get_all_probabilities(self):
7513  """get_all_probabilities(SecondaryStructureResidue self) -> IMP::Floats"""
7514  return _IMP_atom.SecondaryStructureResidue_get_all_probabilities(self)
7515 
7516 
7517  def get_prob_helix(self):
7518  """get_prob_helix(SecondaryStructureResidue self) -> IMP::Float"""
7519  return _IMP_atom.SecondaryStructureResidue_get_prob_helix(self)
7520 
7521 
7522  def set_prob_helix(self, t):
7523  """set_prob_helix(SecondaryStructureResidue self, IMP::Float t)"""
7524  return _IMP_atom.SecondaryStructureResidue_set_prob_helix(self, t)
7525 
7526 
7527  def get_prob_strand(self):
7528  """get_prob_strand(SecondaryStructureResidue self) -> IMP::Float"""
7529  return _IMP_atom.SecondaryStructureResidue_get_prob_strand(self)
7530 
7531 
7532  def set_prob_strand(self, t):
7533  """set_prob_strand(SecondaryStructureResidue self, IMP::Float t)"""
7534  return _IMP_atom.SecondaryStructureResidue_set_prob_strand(self, t)
7535 
7536 
7537  def get_prob_coil(self):
7538  """get_prob_coil(SecondaryStructureResidue self) -> IMP::Float"""
7539  return _IMP_atom.SecondaryStructureResidue_get_prob_coil(self)
7540 
7541 
7542  def set_prob_coil(self, t):
7543  """set_prob_coil(SecondaryStructureResidue self, IMP::Float t)"""
7544  return _IMP_atom.SecondaryStructureResidue_set_prob_coil(self, t)
7545 
7546 
7547  def get_prob_helix_key():
7548  """get_prob_helix_key() -> FloatKey"""
7549  return _IMP_atom.SecondaryStructureResidue_get_prob_helix_key()
7550 
7551  get_prob_helix_key = staticmethod(get_prob_helix_key)
7552 
7553  def get_prob_strand_key():
7554  """get_prob_strand_key() -> FloatKey"""
7555  return _IMP_atom.SecondaryStructureResidue_get_prob_strand_key()
7556 
7557  get_prob_strand_key = staticmethod(get_prob_strand_key)
7558 
7559  def get_prob_coil_key():
7560  """get_prob_coil_key() -> FloatKey"""
7561  return _IMP_atom.SecondaryStructureResidue_get_prob_coil_key()
7562 
7563  get_prob_coil_key = staticmethod(get_prob_coil_key)
7564 
7565  def add_attribute(self, *args):
7566  """
7567  add_attribute(SecondaryStructureResidue self, FloatKey k, IMP::Float v, bool opt)
7568  add_attribute(SecondaryStructureResidue self, FloatKey a0, IMP::Float a1)
7569  add_attribute(SecondaryStructureResidue self, IntKey a0, IMP::Int a1)
7570  add_attribute(SecondaryStructureResidue self, FloatsKey a0, IMP::Floats a1)
7571  add_attribute(SecondaryStructureResidue self, IntsKey a0, IMP::Ints a1)
7572  add_attribute(SecondaryStructureResidue self, StringKey a0, IMP::String a1)
7573  add_attribute(SecondaryStructureResidue self, ParticleIndexKey a0, Particle a1)
7574  add_attribute(SecondaryStructureResidue self, ObjectKey a0, Object a1)
7575  """
7576  return _IMP_atom.SecondaryStructureResidue_add_attribute(self, *args)
7577 
7578 
7579  def get_value(self, *args):
7580  """
7581  get_value(SecondaryStructureResidue self, FloatKey a0) -> IMP::Float
7582  get_value(SecondaryStructureResidue self, IntKey a0) -> IMP::Int
7583  get_value(SecondaryStructureResidue self, FloatsKey a0) -> IMP::Floats
7584  get_value(SecondaryStructureResidue self, IntsKey a0) -> IMP::Ints
7585  get_value(SecondaryStructureResidue self, StringKey a0) -> IMP::String
7586  get_value(SecondaryStructureResidue self, ParticleIndexKey a0) -> Particle
7587  get_value(SecondaryStructureResidue self, ObjectKey a0) -> Object
7588  """
7589  return _IMP_atom.SecondaryStructureResidue_get_value(self, *args)
7590 
7591 
7592  def set_value(self, *args):
7593  """
7594  set_value(SecondaryStructureResidue self, FloatKey a0, IMP::Float a1)
7595  set_value(SecondaryStructureResidue self, IntKey a0, IMP::Int a1)
7596  set_value(SecondaryStructureResidue self, FloatsKey a0, IMP::Floats a1)
7597  set_value(SecondaryStructureResidue self, IntsKey a0, IMP::Ints a1)
7598  set_value(SecondaryStructureResidue self, StringKey a0, IMP::String a1)
7599  set_value(SecondaryStructureResidue self, ParticleIndexKey a0, Particle a1)
7600  set_value(SecondaryStructureResidue self, ObjectKey a0, Object a1)
7601  """
7602  return _IMP_atom.SecondaryStructureResidue_set_value(self, *args)
7603 
7604 
7605  def remove_attribute(self, *args):
7606  """
7607  remove_attribute(SecondaryStructureResidue self, FloatKey a0)
7608  remove_attribute(SecondaryStructureResidue self, IntKey a0)
7609  remove_attribute(SecondaryStructureResidue self, FloatsKey a0)
7610  remove_attribute(SecondaryStructureResidue self, IntsKey a0)
7611  remove_attribute(SecondaryStructureResidue self, StringKey a0)
7612  remove_attribute(SecondaryStructureResidue self, ParticleIndexKey a0)
7613  remove_attribute(SecondaryStructureResidue self, ObjectKey a0)
7614  """
7615  return _IMP_atom.SecondaryStructureResidue_remove_attribute(self, *args)
7616 
7617 
7618  def has_attribute(self, *args):
7619  """
7620  has_attribute(SecondaryStructureResidue self, FloatKey a0) -> bool
7621  has_attribute(SecondaryStructureResidue self, IntKey a0) -> bool
7622  has_attribute(SecondaryStructureResidue self, FloatsKey a0) -> bool
7623  has_attribute(SecondaryStructureResidue self, IntsKey a0) -> bool
7624  has_attribute(SecondaryStructureResidue self, StringKey a0) -> bool
7625  has_attribute(SecondaryStructureResidue self, ParticleIndexKey a0) -> bool
7626  has_attribute(SecondaryStructureResidue self, ObjectKey a0) -> bool
7627  """
7628  return _IMP_atom.SecondaryStructureResidue_has_attribute(self, *args)
7629 
7630 
7631  def get_derivative(self, a0):
7632  """get_derivative(SecondaryStructureResidue self, FloatKey a0) -> double"""
7633  return _IMP_atom.SecondaryStructureResidue_get_derivative(self, a0)
7634 
7635 
7636  def get_name(self):
7637  """get_name(SecondaryStructureResidue self) -> std::string"""
7638  return _IMP_atom.SecondaryStructureResidue_get_name(self)
7639 
7640 
7641  def clear_caches(self):
7642  """clear_caches(SecondaryStructureResidue self)"""
7643  return _IMP_atom.SecondaryStructureResidue_clear_caches(self)
7644 
7645 
7646  def set_name(self, a0):
7647  """set_name(SecondaryStructureResidue self, std::string a0)"""
7648  return _IMP_atom.SecondaryStructureResidue_set_name(self, a0)
7649 
7650 
7651  def set_check_level(self, a0):
7652  """set_check_level(SecondaryStructureResidue self, IMP::CheckLevel a0)"""
7653  return _IMP_atom.SecondaryStructureResidue_set_check_level(self, a0)
7654 
7655 
7656  def add_to_derivative(self, a0, a1, a2):
7657  """add_to_derivative(SecondaryStructureResidue self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7658  return _IMP_atom.SecondaryStructureResidue_add_to_derivative(self, a0, a1, a2)
7659 
7660 
7661  def set_is_optimized(self, a0, a1):
7662  """set_is_optimized(SecondaryStructureResidue self, FloatKey a0, bool a1)"""
7663  return _IMP_atom.SecondaryStructureResidue_set_is_optimized(self, a0, a1)
7664 
7665 
7666  def get_is_optimized(self, a0):
7667  """get_is_optimized(SecondaryStructureResidue self, FloatKey a0) -> bool"""
7668  return _IMP_atom.SecondaryStructureResidue_get_is_optimized(self, a0)
7669 
7670 
7671  def get_check_level(self):
7672  """get_check_level(SecondaryStructureResidue self) -> IMP::CheckLevel"""
7673  return _IMP_atom.SecondaryStructureResidue_get_check_level(self)
7674 
7675 
7676  def __eq__(self, *args):
7677  """
7678  __eq__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
7679  __eq__(SecondaryStructureResidue self, Particle d) -> bool
7680  """
7681  return _IMP_atom.SecondaryStructureResidue___eq__(self, *args)
7682 
7683 
7684  def __ne__(self, *args):
7685  """
7686  __ne__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
7687  __ne__(SecondaryStructureResidue self, Particle d) -> bool
7688  """
7689  return _IMP_atom.SecondaryStructureResidue___ne__(self, *args)
7690 
7691 
7692  def __le__(self, *args):
7693  """
7694  __le__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
7695  __le__(SecondaryStructureResidue self, Particle d) -> bool
7696  """
7697  return _IMP_atom.SecondaryStructureResidue___le__(self, *args)
7698 
7699 
7700  def __lt__(self, *args):
7701  """
7702  __lt__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
7703  __lt__(SecondaryStructureResidue self, Particle d) -> bool
7704  """
7705  return _IMP_atom.SecondaryStructureResidue___lt__(self, *args)
7706 
7707 
7708  def __ge__(self, *args):
7709  """
7710  __ge__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
7711  __ge__(SecondaryStructureResidue self, Particle d) -> bool
7712  """
7713  return _IMP_atom.SecondaryStructureResidue___ge__(self, *args)
7714 
7715 
7716  def __gt__(self, *args):
7717  """
7718  __gt__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
7719  __gt__(SecondaryStructureResidue self, Particle d) -> bool
7720  """
7721  return _IMP_atom.SecondaryStructureResidue___gt__(self, *args)
7722 
7723 
7724  def __hash__(self):
7725  """__hash__(SecondaryStructureResidue self) -> std::size_t"""
7726  return _IMP_atom.SecondaryStructureResidue___hash__(self)
7727 
7728 
7729  def __str__(self):
7730  """__str__(SecondaryStructureResidue self) -> std::string"""
7731  return _IMP_atom.SecondaryStructureResidue___str__(self)
7732 
7733 
7734  def __repr__(self):
7735  """__repr__(SecondaryStructureResidue self) -> std::string"""
7736  return _IMP_atom.SecondaryStructureResidue___repr__(self)
7737 
7738  __swig_destroy__ = _IMP_atom.delete_SecondaryStructureResidue
7739  __del__ = lambda self: None
7740 SecondaryStructureResidue_swigregister = _IMP_atom.SecondaryStructureResidue_swigregister
7741 SecondaryStructureResidue_swigregister(SecondaryStructureResidue)
7742 
7743 def SecondaryStructureResidue_setup_particle(*args):
7744  """
7745  setup_particle(Model m, ParticleIndex pi, IMP::Float prob_helix, IMP::Float prob_strand, IMP::Float prob_coil) -> SecondaryStructureResidue
7746  setup_particle(_ParticleAdaptor decorator, IMP::Float prob_helix, IMP::Float prob_strand, IMP::Float prob_coil) -> SecondaryStructureResidue
7747  SecondaryStructureResidue_setup_particle(Particle res_p) -> SecondaryStructureResidue
7748  """
7749  return _IMP_atom.SecondaryStructureResidue_setup_particle(*args)
7750 
7751 def SecondaryStructureResidue_get_is_setup(*args):
7752  """
7753  get_is_setup(_ParticleAdaptor p) -> bool
7754  SecondaryStructureResidue_get_is_setup(Model m, ParticleIndex pi) -> bool
7755  """
7756  return _IMP_atom.SecondaryStructureResidue_get_is_setup(*args)
7757 
7758 def SecondaryStructureResidue_get_prob_helix_key():
7759  """SecondaryStructureResidue_get_prob_helix_key() -> FloatKey"""
7760  return _IMP_atom.SecondaryStructureResidue_get_prob_helix_key()
7761 
7762 def SecondaryStructureResidue_get_prob_strand_key():
7763  """SecondaryStructureResidue_get_prob_strand_key() -> FloatKey"""
7764  return _IMP_atom.SecondaryStructureResidue_get_prob_strand_key()
7765 
7766 def SecondaryStructureResidue_get_prob_coil_key():
7767  """SecondaryStructureResidue_get_prob_coil_key() -> FloatKey"""
7768  return _IMP_atom.SecondaryStructureResidue_get_prob_coil_key()
7769 
7770 
7771 def setup_coarse_secondary_structure_residue(ssr_ps, mdl, winner_takes_all_per_res=False):
7772  """
7773  setup_coarse_secondary_structure_residue(IMP::Particles const & ssr_ps, Model mdl, bool winner_takes_all_per_res=False) -> SecondaryStructureResidue
7774  setup_coarse_secondary_structure_residue(IMP::Particles const & ssr_ps, Model mdl) -> SecondaryStructureResidue
7775  """
7776  return _IMP_atom.setup_coarse_secondary_structure_residue(ssr_ps, mdl, winner_takes_all_per_res)
7777 
7778 def setup_coarse_secondary_structure_residues(ssr_ps, mdl, coarse_factor, start_res_num, winner_takes_all_per_res=False):
7779  """
7780  setup_coarse_secondary_structure_residues(IMP::Particles const & ssr_ps, Model mdl, int coarse_factor, int start_res_num, bool winner_takes_all_per_res=False) -> IMP::atom::SecondaryStructureResidues
7781  setup_coarse_secondary_structure_residues(IMP::Particles const & ssr_ps, Model mdl, int coarse_factor, int start_res_num) -> IMP::atom::SecondaryStructureResidues
7782  """
7783  return _IMP_atom.setup_coarse_secondary_structure_residues(ssr_ps, mdl, coarse_factor, start_res_num, winner_takes_all_per_res)
7784 
7785 def get_secondary_structure_match_score(ssr1, ssr2):
7786  """get_secondary_structure_match_score(SecondaryStructureResidue ssr1, SecondaryStructureResidue ssr2) -> IMP::Float"""
7787  return _IMP_atom.get_secondary_structure_match_score(ssr1, ssr2)
7788 
7789 def read_psipred(*args):
7790  """
7791  read_psipred(TextInput inf, Model mdl) -> IMP::atom::SecondaryStructureResidues
7792  read_psipred(TextInput inf, IMP::Particles ps) -> IMP::atom::SecondaryStructureResidues
7793  """
7794  return _IMP_atom.read_psipred(*args)
7795 class _ADopeBase(IMP.PairScore):
7796  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::Dope)> class"""
7797  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7798  __repr__ = _swig_repr
7799 
7800  def __init__(self, *args):
7801  """
7802  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::Dope)> self, Dope t0, std::string name) -> _ADopeBase
7803  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::Dope)> self, Dope t0) -> _ADopeBase
7804  """
7805  this = _IMP_atom.new__ADopeBase(*args)
7806  try:
7807  self.this.append(this)
7808  except:
7809  self.this = this
7810 
7811  def do_get_inputs(self, m, pis):
7812  """do_get_inputs(_ADopeBase self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7813  return _IMP_atom._ADopeBase_do_get_inputs(self, m, pis)
7814 
7815 
7816  def get_score_functor(self):
7817  """get_score_functor(_ADopeBase self) -> Dope"""
7818  return _IMP_atom._ADopeBase_get_score_functor(self)
7819 
7820 
7821  def get_version_info(self):
7822  """get_version_info(_ADopeBase self) -> VersionInfo"""
7823  return _IMP_atom._ADopeBase_get_version_info(self)
7824 
7825 _ADopeBase_swigregister = _IMP_atom._ADopeBase_swigregister
7826 _ADopeBase_swigregister(_ADopeBase)
7827 
7828 class _BDopeBase(IMP.PairScore):
7829  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::Statistical<(IMP::atom::DopeType,false,true,false)>)> class"""
7830  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7831  __repr__ = _swig_repr
7832 
7833  def __init__(self, *args):
7834  """
7835  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::Statistical<(IMP::atom::DopeType,false,true,false)>)> self, IMP::score_functor::DistancePairScore< IMP::score_functor::Statistical< IMP::atom::DopeType,false,true,false > >::DistanceScore const & t0, std::string name) -> _BDopeBase
7836  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::Statistical<(IMP::atom::DopeType,false,true,false)>)> self, IMP::score_functor::DistancePairScore< IMP::score_functor::Statistical< IMP::atom::DopeType,false,true,false > >::DistanceScore const & t0) -> _BDopeBase
7837  """
7838  this = _IMP_atom.new__BDopeBase(*args)
7839  try:
7840  self.this.append(this)
7841  except:
7842  self.this = this
7843 
7844  def do_get_inputs(self, m, pis):
7845  """do_get_inputs(_BDopeBase self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7846  return _IMP_atom._BDopeBase_do_get_inputs(self, m, pis)
7847 
7848 
7849  def get_score_functor(self):
7850  """get_score_functor(_BDopeBase self) -> _DopeBase"""
7851  return _IMP_atom._BDopeBase_get_score_functor(self)
7852 
7853 
7854  def get_version_info(self):
7855  """get_version_info(_BDopeBase self) -> VersionInfo"""
7856  return _IMP_atom._BDopeBase_get_version_info(self)
7857 
7858 _BDopeBase_swigregister = _IMP_atom._BDopeBase_swigregister
7859 _BDopeBase_swigregister(_BDopeBase)
7860 
7861 class _ALoopStatisticalBase(IMP.PairScore):
7862  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::LoopStatistical)> class"""
7863  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7864  __repr__ = _swig_repr
7865 
7866  def __init__(self, *args):
7867  """
7868  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::LoopStatistical)> self, LoopStatistical t0, std::string name) -> _ALoopStatisticalBase
7869  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::LoopStatistical)> self, LoopStatistical t0) -> _ALoopStatisticalBase
7870  """
7871  this = _IMP_atom.new__ALoopStatisticalBase(*args)
7872  try:
7873  self.this.append(this)
7874  except:
7875  self.this = this
7876 
7877  def do_get_inputs(self, m, pis):
7878  """do_get_inputs(_ALoopStatisticalBase self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7879  return _IMP_atom._ALoopStatisticalBase_do_get_inputs(self, m, pis)
7880 
7881 
7882  def get_score_functor(self):
7883  """get_score_functor(_ALoopStatisticalBase self) -> LoopStatistical"""
7884  return _IMP_atom._ALoopStatisticalBase_get_score_functor(self)
7885 
7886 
7887  def get_version_info(self):
7888  """get_version_info(_ALoopStatisticalBase self) -> VersionInfo"""
7889  return _IMP_atom._ALoopStatisticalBase_get_version_info(self)
7890 
7891 _ALoopStatisticalBase_swigregister = _IMP_atom._ALoopStatisticalBase_swigregister
7892 _ALoopStatisticalBase_swigregister(_ALoopStatisticalBase)
7893 
7894 class _BLoopStatisticalBase(IMP.PairScore):
7895  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::Statistical<(IMP::atom::LoopStatisticalType,false,true,false)>)> class"""
7896  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7897  __repr__ = _swig_repr
7898 
7899  def __init__(self, *args):
7900  """
7901  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::Statistical<(IMP::atom::LoopStatisticalType,false,true,false)>)> self, IMP::score_functor::DistancePairScore< IMP::score_functor::Statistical< IMP::atom::LoopStatisticalType,false,true,false > >::DistanceScore const & t0, std::string name) -> _BLoopStatisticalBase
7902  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::Statistical<(IMP::atom::LoopStatisticalType,false,true,false)>)> self, IMP::score_functor::DistancePairScore< IMP::score_functor::Statistical< IMP::atom::LoopStatisticalType,false,true,false > >::DistanceScore const & t0) -> _BLoopStatisticalBase
7903  """
7904  this = _IMP_atom.new__BLoopStatisticalBase(*args)
7905  try:
7906  self.this.append(this)
7907  except:
7908  self.this = this
7909 
7910  def do_get_inputs(self, m, pis):
7911  """do_get_inputs(_BLoopStatisticalBase self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7912  return _IMP_atom._BLoopStatisticalBase_do_get_inputs(self, m, pis)
7913 
7914 
7915  def get_score_functor(self):
7916  """get_score_functor(_BLoopStatisticalBase self) -> _LoopStatisticalBase"""
7917  return _IMP_atom._BLoopStatisticalBase_get_score_functor(self)
7918 
7919 
7920  def get_version_info(self):
7921  """get_version_info(_BLoopStatisticalBase self) -> VersionInfo"""
7922  return _IMP_atom._BLoopStatisticalBase_get_version_info(self)
7923 
7924 _BLoopStatisticalBase_swigregister = _IMP_atom._BLoopStatisticalBase_swigregister
7925 _BLoopStatisticalBase_swigregister(_BLoopStatisticalBase)
7926 
7927 class _OrientedSoapBase(IMP.PairScore):
7928  """Proxy of C++ IMP::score_functor::DistancePairScoreWithCache<(IMP::score_functor::OrientedSoap)> class"""
7929  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7930  __repr__ = _swig_repr
7931 
7932  def __init__(self, *args):
7933  """
7934  __init__(IMP::score_functor::DistancePairScoreWithCache<(IMP::score_functor::OrientedSoap)> self, IMP::score_functor::DistancePairScoreWithCache< IMP::score_functor::OrientedSoap >::DistanceScore const & t0, std::string name) -> _OrientedSoapBase
7935  __init__(IMP::score_functor::DistancePairScoreWithCache<(IMP::score_functor::OrientedSoap)> self, IMP::score_functor::DistancePairScoreWithCache< IMP::score_functor::OrientedSoap >::DistanceScore const & t0) -> _OrientedSoapBase
7936  """
7937  this = _IMP_atom.new__OrientedSoapBase(*args)
7938  try:
7939  self.this.append(this)
7940  except:
7941  self.this = this
7942 
7943  def do_get_inputs(self, m, pis):
7944  """do_get_inputs(_OrientedSoapBase self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7945  return _IMP_atom._OrientedSoapBase_do_get_inputs(self, m, pis)
7946 
7947 
7948  def get_score_functor(self):
7949  """get_score_functor(_OrientedSoapBase self) -> IMP::score_functor::OrientedSoap &"""
7950  return _IMP_atom._OrientedSoapBase_get_score_functor(self)
7951 
7952 
7953  def get_version_info(self):
7954  """get_version_info(_OrientedSoapBase self) -> VersionInfo"""
7955  return _IMP_atom._OrientedSoapBase_get_version_info(self)
7956 
7957 _OrientedSoapBase_swigregister = _IMP_atom._OrientedSoapBase_swigregister
7958 _OrientedSoapBase_swigregister(_OrientedSoapBase)
7959 
7960 class _SPSFTB(IMP.PairScore):
7961  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::Statistical<(IMP::atom::ProteinLigandType,true,false)>)> class"""
7962  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7963  __repr__ = _swig_repr
7964 
7965  def __init__(self, *args):
7966  """
7967  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::Statistical<(IMP::atom::ProteinLigandType,true,false)>)> self, IMP::score_functor::DistancePairScore< IMP::score_functor::Statistical< IMP::atom::ProteinLigandType,true,false > >::DistanceScore const & t0, std::string name) -> _SPSFTB
7968  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::Statistical<(IMP::atom::ProteinLigandType,true,false)>)> self, IMP::score_functor::DistancePairScore< IMP::score_functor::Statistical< IMP::atom::ProteinLigandType,true,false > >::DistanceScore const & t0) -> _SPSFTB
7969  """
7970  this = _IMP_atom.new__SPSFTB(*args)
7971  try:
7972  self.this.append(this)
7973  except:
7974  self.this = this
7975 
7976  def do_get_inputs(self, m, pis):
7977  """do_get_inputs(_SPSFTB self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7978  return _IMP_atom._SPSFTB_do_get_inputs(self, m, pis)
7979 
7980 
7981  def get_score_functor(self):
7982  """get_score_functor(_SPSFTB self) -> IMP::score_functor::Statistical< IMP::atom::ProteinLigandType,true,false,false > &"""
7983  return _IMP_atom._SPSFTB_get_score_functor(self)
7984 
7985 
7986  def get_version_info(self):
7987  """get_version_info(_SPSFTB self) -> VersionInfo"""
7988  return _IMP_atom._SPSFTB_get_version_info(self)
7989 
7990 _SPSFTB_swigregister = _IMP_atom._SPSFTB_swigregister
7991 _SPSFTB_swigregister(_SPSFTB)
7992 
7993 class _SPSTF(_SPSFTB):
7994  """Proxy of C++ IMP::core::StatisticalPairScore<(IMP::atom::ProteinLigandType,true,false)> class"""
7995  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7996  __repr__ = _swig_repr
7997 
7998  def __init__(self, *args):
7999  """
8000  __init__(IMP::core::StatisticalPairScore<(IMP::atom::ProteinLigandType,true,false)> self, IntKey k, double threshold, TextInput data_file) -> _SPSTF
8001  __init__(IMP::core::StatisticalPairScore<(IMP::atom::ProteinLigandType,true,false)> self, IntKey k, double threshold, TextInput data_file, unsigned int shift) -> _SPSTF
8002  """
8003  this = _IMP_atom.new__SPSTF(*args)
8004  try:
8005  self.this.append(this)
8006  except:
8007  self.this = this
8008  __swig_destroy__ = _IMP_atom.delete__SPSTF
8009  __del__ = lambda self: None
8010 _SPSTF_swigregister = _IMP_atom._SPSTF_swigregister
8011 _SPSTF_swigregister(_SPSTF)
8012 
8013 class _SPSFT(_BDopeBase):
8014  """Proxy of C++ IMP::core::StatisticalPairScore<(IMP::atom::DopeType,false,true)> class"""
8015  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8016  __repr__ = _swig_repr
8017 
8018  def __init__(self, *args):
8019  """
8020  __init__(IMP::core::StatisticalPairScore<(IMP::atom::DopeType,false,true)> self, IntKey k, double threshold, TextInput data_file) -> _SPSFT
8021  __init__(IMP::core::StatisticalPairScore<(IMP::atom::DopeType,false,true)> self, IntKey k, double threshold, TextInput data_file, unsigned int shift) -> _SPSFT
8022  """
8023  this = _IMP_atom.new__SPSFT(*args)
8024  try:
8025  self.this.append(this)
8026  except:
8027  self.this = this
8028  __swig_destroy__ = _IMP_atom.delete__SPSFT
8029  __del__ = lambda self: None
8030 _SPSFT_swigregister = _IMP_atom._SPSFT_swigregister
8031 _SPSFT_swigregister(_SPSFT)
8032 
8033 class _SPSFTL(_BLoopStatisticalBase):
8034  """Proxy of C++ IMP::core::StatisticalPairScore<(IMP::atom::LoopStatisticalType,false,true)> class"""
8035  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8036  __repr__ = _swig_repr
8037 
8038  def __init__(self, *args):
8039  """
8040  __init__(IMP::core::StatisticalPairScore<(IMP::atom::LoopStatisticalType,false,true)> self, IntKey k, double threshold, TextInput data_file) -> _SPSFTL
8041  __init__(IMP::core::StatisticalPairScore<(IMP::atom::LoopStatisticalType,false,true)> self, IntKey k, double threshold, TextInput data_file, unsigned int shift) -> _SPSFTL
8042  """
8043  this = _IMP_atom.new__SPSFTL(*args)
8044  try:
8045  self.this.append(this)
8046  except:
8047  self.this = this
8048  __swig_destroy__ = _IMP_atom.delete__SPSFTL
8049  __del__ = lambda self: None
8050 _SPSFTL_swigregister = _IMP_atom._SPSFTL_swigregister
8051 _SPSFTL_swigregister(_SPSFTL)
8052 
8053 class ProteinLigandAtomPairScore(_SPSTF):
8054  """Proxy of C++ IMP::atom::ProteinLigandAtomPairScore class"""
8055  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8056 
8057  def __init__(self, *args):
8058  """
8059  __init__(IMP::atom::ProteinLigandAtomPairScore self, double threshold) -> ProteinLigandAtomPairScore
8060  __init__(IMP::atom::ProteinLigandAtomPairScore self) -> ProteinLigandAtomPairScore
8061  __init__(IMP::atom::ProteinLigandAtomPairScore self, double threshold, TextInput data_file) -> ProteinLigandAtomPairScore
8062  """
8063  this = _IMP_atom.new_ProteinLigandAtomPairScore(*args)
8064  try:
8065  self.this.append(this)
8066  except:
8067  self.this = this
8068 
8069  def get_maximum_distance(self):
8070  """get_maximum_distance(ProteinLigandAtomPairScore self) -> double"""
8071  return _IMP_atom.ProteinLigandAtomPairScore_get_maximum_distance(self)
8072 
8073 
8074  def __str__(self):
8075  """__str__(ProteinLigandAtomPairScore self) -> std::string"""
8076  return _IMP_atom.ProteinLigandAtomPairScore___str__(self)
8077 
8078 
8079  def __repr__(self):
8080  """__repr__(ProteinLigandAtomPairScore self) -> std::string"""
8081  return _IMP_atom.ProteinLigandAtomPairScore___repr__(self)
8082 
8083 
8084  @staticmethod
8085  def get_from(o):
8086  return _object_cast_to_ProteinLigandAtomPairScore(o)
8087 
8088  __swig_destroy__ = _IMP_atom.delete_ProteinLigandAtomPairScore
8089  __del__ = lambda self: None
8090 ProteinLigandAtomPairScore_swigregister = _IMP_atom.ProteinLigandAtomPairScore_swigregister
8091 ProteinLigandAtomPairScore_swigregister(ProteinLigandAtomPairScore)
8092 
8093 class ProteinLigandRestraint(IMP.container.PairsRestraint):
8094  """Proxy of C++ IMP::atom::ProteinLigandRestraint class"""
8095  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8096 
8097  def __init__(self, *args):
8098  """
8099  __init__(IMP::atom::ProteinLigandRestraint self, Hierarchy protein, Hierarchy ligand, double threshold) -> ProteinLigandRestraint
8100  __init__(IMP::atom::ProteinLigandRestraint self, Hierarchy protein, Hierarchy ligand) -> ProteinLigandRestraint
8101  __init__(IMP::atom::ProteinLigandRestraint self, Hierarchy protein, Hierarchy ligand, double threshold, TextInput data_file) -> ProteinLigandRestraint
8102  """
8103  this = _IMP_atom.new_ProteinLigandRestraint(*args)
8104  try:
8105  self.this.append(this)
8106  except:
8107  self.this = this
8108 
8109  def __str__(self):
8110  """__str__(ProteinLigandRestraint self) -> std::string"""
8111  return _IMP_atom.ProteinLigandRestraint___str__(self)
8112 
8113 
8114  def __repr__(self):
8115  """__repr__(ProteinLigandRestraint self) -> std::string"""
8116  return _IMP_atom.ProteinLigandRestraint___repr__(self)
8117 
8118 
8119  @staticmethod
8120  def get_from(o):
8121  return _object_cast_to_ProteinLigandRestraint(o)
8122 
8123  __swig_destroy__ = _IMP_atom.delete_ProteinLigandRestraint
8124  __del__ = lambda self: None
8125 ProteinLigandRestraint_swigregister = _IMP_atom.ProteinLigandRestraint_swigregister
8126 ProteinLigandRestraint_swigregister(ProteinLigandRestraint)
8127 
8128 
8130  """add_protein_ligand_score_data(Hierarchy h)"""
8131  return _IMP_atom.add_protein_ligand_score_data(h)
8132 class AtomType(IMP._Value):
8133  """Proxy of C++ IMP::Key<(8974343)> class"""
8134  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8135 
8136  def __init__(self, *args):
8137  """
8138  __init__(IMP::Key<(8974343)> self) -> AtomType
8139  __init__(IMP::Key<(8974343)> self, std::string const & c, bool is_implicit_add_permitted=True) -> AtomType
8140  __init__(IMP::Key<(8974343)> self, std::string const & c) -> AtomType
8141  __init__(IMP::Key<(8974343)> self, unsigned int i) -> AtomType
8142  """
8143  this = _IMP_atom.new_AtomType(*args)
8144  try:
8145  self.this.append(this)
8146  except:
8147  self.this = this
8148 
8149  def add_key(sc):
8150  """add_key(std::string sc) -> unsigned int"""
8151  return _IMP_atom.AtomType_add_key(sc)
8152 
8153  add_key = staticmethod(add_key)
8154 
8155  def get_key_exists(sc):
8156  """get_key_exists(std::string sc) -> bool"""
8157  return _IMP_atom.AtomType_get_key_exists(sc)
8158 
8159  get_key_exists = staticmethod(get_key_exists)
8160 
8161  def get_string(self):
8162  """get_string(AtomType self) -> std::string const"""
8163  return _IMP_atom.AtomType_get_string(self)
8164 
8165 
8166  def __cmp__(self, o):
8167  """__cmp__(AtomType self, AtomType o) -> int"""
8168  return _IMP_atom.AtomType___cmp__(self, o)
8169 
8170 
8171  def __eq__(self, o):
8172  """__eq__(AtomType self, AtomType o) -> bool"""
8173  return _IMP_atom.AtomType___eq__(self, o)
8174 
8175 
8176  def __ne__(self, o):
8177  """__ne__(AtomType self, AtomType o) -> bool"""
8178  return _IMP_atom.AtomType___ne__(self, o)
8179 
8180 
8181  def __lt__(self, o):
8182  """__lt__(AtomType self, AtomType o) -> bool"""
8183  return _IMP_atom.AtomType___lt__(self, o)
8184 
8185 
8186  def __gt__(self, o):
8187  """__gt__(AtomType self, AtomType o) -> bool"""
8188  return _IMP_atom.AtomType___gt__(self, o)
8189 
8190 
8191  def __ge__(self, o):
8192  """__ge__(AtomType self, AtomType o) -> bool"""
8193  return _IMP_atom.AtomType___ge__(self, o)
8194 
8195 
8196  def __le__(self, o):
8197  """__le__(AtomType self, AtomType o) -> bool"""
8198  return _IMP_atom.AtomType___le__(self, o)
8199 
8200 
8201  def __hash__(self):
8202  """__hash__(AtomType self) -> std::size_t"""
8203  return _IMP_atom.AtomType___hash__(self)
8204 
8205 
8206  def show(self, *args):
8207  """
8208  show(AtomType self, _ostream out)
8209  show(AtomType self)
8210  """
8211  return _IMP_atom.AtomType_show(self, *args)
8212 
8213 
8214  def add_alias(old_key, new_name):
8215  """add_alias(AtomType old_key, std::string new_name) -> AtomType"""
8216  return _IMP_atom.AtomType_add_alias(old_key, new_name)
8217 
8218  add_alias = staticmethod(add_alias)
8219 
8220  def get_number_of_keys():
8221  """get_number_of_keys() -> unsigned int"""
8222  return _IMP_atom.AtomType_get_number_of_keys()
8223 
8224  get_number_of_keys = staticmethod(get_number_of_keys)
8225 
8226  def get_index(self):
8227  """get_index(AtomType self) -> unsigned int"""
8228  return _IMP_atom.AtomType_get_index(self)
8229 
8230 
8231  def show_all(out):
8232  """show_all(_ostream out)"""
8233  return _IMP_atom.AtomType_show_all(out)
8234 
8235  show_all = staticmethod(show_all)
8236 
8237  def get_all_strings():
8238  """get_all_strings() -> IMP::Vector< std::string >"""
8239  return _IMP_atom.AtomType_get_all_strings()
8240 
8241  get_all_strings = staticmethod(get_all_strings)
8242 
8243  def get_number_unique():
8244  """get_number_unique() -> unsigned int"""
8245  return _IMP_atom.AtomType_get_number_unique()
8246 
8247  get_number_unique = staticmethod(get_number_unique)
8248 
8249  def __str__(self):
8250  """__str__(AtomType self) -> std::string"""
8251  return _IMP_atom.AtomType___str__(self)
8252 
8253 
8254  def __repr__(self):
8255  """__repr__(AtomType self) -> std::string"""
8256  return _IMP_atom.AtomType___repr__(self)
8257 
8258  __swig_destroy__ = _IMP_atom.delete_AtomType
8259  __del__ = lambda self: None
8260 AtomType_swigregister = _IMP_atom.AtomType_swigregister
8261 AtomType_swigregister(AtomType)
8262 
8263 def AtomType_add_key(sc):
8264  """AtomType_add_key(std::string sc) -> unsigned int"""
8265  return _IMP_atom.AtomType_add_key(sc)
8266 
8267 def AtomType_get_key_exists(sc):
8268  """AtomType_get_key_exists(std::string sc) -> bool"""
8269  return _IMP_atom.AtomType_get_key_exists(sc)
8270 
8271 def AtomType_add_alias(old_key, new_name):
8272  """AtomType_add_alias(AtomType old_key, std::string new_name) -> AtomType"""
8273  return _IMP_atom.AtomType_add_alias(old_key, new_name)
8274 
8275 def AtomType_get_number_of_keys():
8276  """AtomType_get_number_of_keys() -> unsigned int"""
8277  return _IMP_atom.AtomType_get_number_of_keys()
8278 
8279 def AtomType_show_all(out):
8280  """AtomType_show_all(_ostream out)"""
8281  return _IMP_atom.AtomType_show_all(out)
8282 
8283 def AtomType_get_all_strings():
8284  """AtomType_get_all_strings() -> IMP::Vector< std::string >"""
8285  return _IMP_atom.AtomType_get_all_strings()
8286 
8287 def AtomType_get_number_unique():
8288  """AtomType_get_number_unique() -> unsigned int"""
8289  return _IMP_atom.AtomType_get_number_unique()
8290 
8291 class ResidueType(IMP._Value):
8292  """Proxy of C++ IMP::Key<(90784334)> class"""
8293  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8294 
8295  def __init__(self, *args):
8296  """
8297  __init__(IMP::Key<(90784334)> self) -> ResidueType
8298  __init__(IMP::Key<(90784334)> self, std::string const & c, bool is_implicit_add_permitted=True) -> ResidueType
8299  __init__(IMP::Key<(90784334)> self, std::string const & c) -> ResidueType
8300  __init__(IMP::Key<(90784334)> self, unsigned int i) -> ResidueType
8301  """
8302  this = _IMP_atom.new_ResidueType(*args)
8303  try:
8304  self.this.append(this)
8305  except:
8306  self.this = this
8307 
8308  def add_key(sc):
8309  """add_key(std::string sc) -> unsigned int"""
8310  return _IMP_atom.ResidueType_add_key(sc)
8311 
8312  add_key = staticmethod(add_key)
8313 
8314  def get_key_exists(sc):
8315  """get_key_exists(std::string sc) -> bool"""
8316  return _IMP_atom.ResidueType_get_key_exists(sc)
8317 
8318  get_key_exists = staticmethod(get_key_exists)
8319 
8320  def get_string(self):
8321  """get_string(ResidueType self) -> std::string const"""
8322  return _IMP_atom.ResidueType_get_string(self)
8323 
8324 
8325  def __cmp__(self, o):
8326  """__cmp__(ResidueType self, ResidueType o) -> int"""
8327  return _IMP_atom.ResidueType___cmp__(self, o)
8328 
8329 
8330  def __eq__(self, o):
8331  """__eq__(ResidueType self, ResidueType o) -> bool"""
8332  return _IMP_atom.ResidueType___eq__(self, o)
8333 
8334 
8335  def __ne__(self, o):
8336  """__ne__(ResidueType self, ResidueType o) -> bool"""
8337  return _IMP_atom.ResidueType___ne__(self, o)
8338 
8339 
8340  def __lt__(self, o):
8341  """__lt__(ResidueType self, ResidueType o) -> bool"""
8342  return _IMP_atom.ResidueType___lt__(self, o)
8343 
8344 
8345  def __gt__(self, o):
8346  """__gt__(ResidueType self, ResidueType o) -> bool"""
8347  return _IMP_atom.ResidueType___gt__(self, o)
8348 
8349 
8350  def __ge__(self, o):
8351  """__ge__(ResidueType self, ResidueType o) -> bool"""
8352  return _IMP_atom.ResidueType___ge__(self, o)
8353 
8354 
8355  def __le__(self, o):
8356  """__le__(ResidueType self, ResidueType o) -> bool"""
8357  return _IMP_atom.ResidueType___le__(self, o)
8358 
8359 
8360  def __hash__(self):
8361  """__hash__(ResidueType self) -> std::size_t"""
8362  return _IMP_atom.ResidueType___hash__(self)
8363 
8364 
8365  def show(self, *args):
8366  """
8367  show(ResidueType self, _ostream out)
8368  show(ResidueType self)
8369  """
8370  return _IMP_atom.ResidueType_show(self, *args)
8371 
8372 
8373  def add_alias(old_key, new_name):
8374  """add_alias(ResidueType old_key, std::string new_name) -> ResidueType"""
8375  return _IMP_atom.ResidueType_add_alias(old_key, new_name)
8376 
8377  add_alias = staticmethod(add_alias)
8378 
8379  def get_number_of_keys():
8380  """get_number_of_keys() -> unsigned int"""
8381  return _IMP_atom.ResidueType_get_number_of_keys()
8382 
8383  get_number_of_keys = staticmethod(get_number_of_keys)
8384 
8385  def get_index(self):
8386  """get_index(ResidueType self) -> unsigned int"""
8387  return _IMP_atom.ResidueType_get_index(self)
8388 
8389 
8390  def show_all(out):
8391  """show_all(_ostream out)"""
8392  return _IMP_atom.ResidueType_show_all(out)
8393 
8394  show_all = staticmethod(show_all)
8395 
8396  def get_all_strings():
8397  """get_all_strings() -> IMP::Vector< std::string >"""
8398  return _IMP_atom.ResidueType_get_all_strings()
8399 
8400  get_all_strings = staticmethod(get_all_strings)
8401 
8402  def get_number_unique():
8403  """get_number_unique() -> unsigned int"""
8404  return _IMP_atom.ResidueType_get_number_unique()
8405 
8406  get_number_unique = staticmethod(get_number_unique)
8407 
8408  def __str__(self):
8409  """__str__(ResidueType self) -> std::string"""
8410  return _IMP_atom.ResidueType___str__(self)
8411 
8412 
8413  def __repr__(self):
8414  """__repr__(ResidueType self) -> std::string"""
8415  return _IMP_atom.ResidueType___repr__(self)
8416 
8417  __swig_destroy__ = _IMP_atom.delete_ResidueType
8418  __del__ = lambda self: None
8419 ResidueType_swigregister = _IMP_atom.ResidueType_swigregister
8420 ResidueType_swigregister(ResidueType)
8421 
8422 def ResidueType_add_key(sc):
8423  """ResidueType_add_key(std::string sc) -> unsigned int"""
8424  return _IMP_atom.ResidueType_add_key(sc)
8425 
8426 def ResidueType_get_key_exists(sc):
8427  """ResidueType_get_key_exists(std::string sc) -> bool"""
8428  return _IMP_atom.ResidueType_get_key_exists(sc)
8429 
8430 def ResidueType_add_alias(old_key, new_name):
8431  """ResidueType_add_alias(ResidueType old_key, std::string new_name) -> ResidueType"""
8432  return _IMP_atom.ResidueType_add_alias(old_key, new_name)
8433 
8434 def ResidueType_get_number_of_keys():
8435  """ResidueType_get_number_of_keys() -> unsigned int"""
8436  return _IMP_atom.ResidueType_get_number_of_keys()
8437 
8438 def ResidueType_show_all(out):
8439  """ResidueType_show_all(_ostream out)"""
8440  return _IMP_atom.ResidueType_show_all(out)
8441 
8442 def ResidueType_get_all_strings():
8443  """ResidueType_get_all_strings() -> IMP::Vector< std::string >"""
8444  return _IMP_atom.ResidueType_get_all_strings()
8445 
8446 def ResidueType_get_number_unique():
8447  """ResidueType_get_number_unique() -> unsigned int"""
8448  return _IMP_atom.ResidueType_get_number_unique()
8449 
8450 class ChainType(IMP._Value):
8451  """Proxy of C++ IMP::Key<(90784336)> class"""
8452  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8453 
8454  def __init__(self, *args):
8455  """
8456  __init__(IMP::Key<(90784336)> self) -> ChainType
8457  __init__(IMP::Key<(90784336)> self, std::string const & c, bool is_implicit_add_permitted=True) -> ChainType
8458  __init__(IMP::Key<(90784336)> self, std::string const & c) -> ChainType
8459  __init__(IMP::Key<(90784336)> self, unsigned int i) -> ChainType
8460  """
8461  this = _IMP_atom.new_ChainType(*args)
8462  try:
8463  self.this.append(this)
8464  except:
8465  self.this = this
8466 
8467  def add_key(sc):
8468  """add_key(std::string sc) -> unsigned int"""
8469  return _IMP_atom.ChainType_add_key(sc)
8470 
8471  add_key = staticmethod(add_key)
8472 
8473  def get_key_exists(sc):
8474  """get_key_exists(std::string sc) -> bool"""
8475  return _IMP_atom.ChainType_get_key_exists(sc)
8476 
8477  get_key_exists = staticmethod(get_key_exists)
8478 
8479  def get_string(self):
8480  """get_string(ChainType self) -> std::string const"""
8481  return _IMP_atom.ChainType_get_string(self)
8482 
8483 
8484  def __cmp__(self, o):
8485  """__cmp__(ChainType self, ChainType o) -> int"""
8486  return _IMP_atom.ChainType___cmp__(self, o)
8487 
8488 
8489  def __eq__(self, o):
8490  """__eq__(ChainType self, ChainType o) -> bool"""
8491  return _IMP_atom.ChainType___eq__(self, o)
8492 
8493 
8494  def __ne__(self, o):
8495  """__ne__(ChainType self, ChainType o) -> bool"""
8496  return _IMP_atom.ChainType___ne__(self, o)
8497 
8498 
8499  def __lt__(self, o):
8500  """__lt__(ChainType self, ChainType o) -> bool"""
8501  return _IMP_atom.ChainType___lt__(self, o)
8502 
8503 
8504  def __gt__(self, o):
8505  """__gt__(ChainType self, ChainType o) -> bool"""
8506  return _IMP_atom.ChainType___gt__(self, o)
8507 
8508 
8509  def __ge__(self, o):
8510  """__ge__(ChainType self, ChainType o) -> bool"""
8511  return _IMP_atom.ChainType___ge__(self, o)
8512 
8513 
8514  def __le__(self, o):
8515  """__le__(ChainType self, ChainType o) -> bool"""
8516  return _IMP_atom.ChainType___le__(self, o)
8517 
8518 
8519  def __hash__(self):
8520  """__hash__(ChainType self) -> std::size_t"""
8521  return _IMP_atom.ChainType___hash__(self)
8522 
8523 
8524  def show(self, *args):
8525  """
8526  show(ChainType self, _ostream out)
8527  show(ChainType self)
8528  """
8529  return _IMP_atom.ChainType_show(self, *args)
8530 
8531 
8532  def add_alias(old_key, new_name):
8533  """add_alias(ChainType old_key, std::string new_name) -> ChainType"""
8534  return _IMP_atom.ChainType_add_alias(old_key, new_name)
8535 
8536  add_alias = staticmethod(add_alias)
8537 
8538  def get_number_of_keys():
8539  """get_number_of_keys() -> unsigned int"""
8540  return _IMP_atom.ChainType_get_number_of_keys()
8541 
8542  get_number_of_keys = staticmethod(get_number_of_keys)
8543 
8544  def get_index(self):
8545  """get_index(ChainType self) -> unsigned int"""
8546  return _IMP_atom.ChainType_get_index(self)
8547 
8548 
8549  def show_all(out):
8550  """show_all(_ostream out)"""
8551  return _IMP_atom.ChainType_show_all(out)
8552 
8553  show_all = staticmethod(show_all)
8554 
8555  def get_all_strings():
8556  """get_all_strings() -> IMP::Vector< std::string >"""
8557  return _IMP_atom.ChainType_get_all_strings()
8558 
8559  get_all_strings = staticmethod(get_all_strings)
8560 
8561  def get_number_unique():
8562  """get_number_unique() -> unsigned int"""
8563  return _IMP_atom.ChainType_get_number_unique()
8564 
8565  get_number_unique = staticmethod(get_number_unique)
8566 
8567  def __str__(self):
8568  """__str__(ChainType self) -> std::string"""
8569  return _IMP_atom.ChainType___str__(self)
8570 
8571 
8572  def __repr__(self):
8573  """__repr__(ChainType self) -> std::string"""
8574  return _IMP_atom.ChainType___repr__(self)
8575 
8576  __swig_destroy__ = _IMP_atom.delete_ChainType
8577  __del__ = lambda self: None
8578 ChainType_swigregister = _IMP_atom.ChainType_swigregister
8579 ChainType_swigregister(ChainType)
8580 
8581 def ChainType_add_key(sc):
8582  """ChainType_add_key(std::string sc) -> unsigned int"""
8583  return _IMP_atom.ChainType_add_key(sc)
8584 
8585 def ChainType_get_key_exists(sc):
8586  """ChainType_get_key_exists(std::string sc) -> bool"""
8587  return _IMP_atom.ChainType_get_key_exists(sc)
8588 
8589 def ChainType_add_alias(old_key, new_name):
8590  """ChainType_add_alias(ChainType old_key, std::string new_name) -> ChainType"""
8591  return _IMP_atom.ChainType_add_alias(old_key, new_name)
8592 
8593 def ChainType_get_number_of_keys():
8594  """ChainType_get_number_of_keys() -> unsigned int"""
8595  return _IMP_atom.ChainType_get_number_of_keys()
8596 
8597 def ChainType_show_all(out):
8598  """ChainType_show_all(_ostream out)"""
8599  return _IMP_atom.ChainType_show_all(out)
8600 
8601 def ChainType_get_all_strings():
8602  """ChainType_get_all_strings() -> IMP::Vector< std::string >"""
8603  return _IMP_atom.ChainType_get_all_strings()
8604 
8605 def ChainType_get_number_unique():
8606  """ChainType_get_number_unique() -> unsigned int"""
8607  return _IMP_atom.ChainType_get_number_unique()
8608 
8609 
8610 _IMP_atom.UNKNOWN_ELEMENT_swigconstant(_IMP_atom)
8611 UNKNOWN_ELEMENT = _IMP_atom.UNKNOWN_ELEMENT
8612 
8613 _IMP_atom.OH_swigconstant(_IMP_atom)
8614 OH = _IMP_atom.OH
8615 
8616 _IMP_atom.H2O_swigconstant(_IMP_atom)
8617 H2O = _IMP_atom.H2O
8618 
8619 _IMP_atom.H_swigconstant(_IMP_atom)
8620 H = _IMP_atom.H
8621 
8622 _IMP_atom.He_swigconstant(_IMP_atom)
8623 He = _IMP_atom.He
8624 
8625 _IMP_atom.Li_swigconstant(_IMP_atom)
8626 Li = _IMP_atom.Li
8627 
8628 _IMP_atom.Be_swigconstant(_IMP_atom)
8629 Be = _IMP_atom.Be
8630 
8631 _IMP_atom.B_swigconstant(_IMP_atom)
8632 B = _IMP_atom.B
8633 
8634 _IMP_atom.C_swigconstant(_IMP_atom)
8635 C = _IMP_atom.C
8636 
8637 _IMP_atom.N_swigconstant(_IMP_atom)
8638 N = _IMP_atom.N
8639 
8640 _IMP_atom.O_swigconstant(_IMP_atom)
8641 O = _IMP_atom.O
8642 
8643 _IMP_atom.F_swigconstant(_IMP_atom)
8644 F = _IMP_atom.F
8645 
8646 _IMP_atom.Ne_swigconstant(_IMP_atom)
8647 Ne = _IMP_atom.Ne
8648 
8649 _IMP_atom.Na_swigconstant(_IMP_atom)
8650 Na = _IMP_atom.Na
8651 
8652 _IMP_atom.Mg_swigconstant(_IMP_atom)
8653 Mg = _IMP_atom.Mg
8654 
8655 _IMP_atom.Al_swigconstant(_IMP_atom)
8656 Al = _IMP_atom.Al
8657 
8658 _IMP_atom.Si_swigconstant(_IMP_atom)
8659 Si = _IMP_atom.Si
8660 
8661 _IMP_atom.P_swigconstant(_IMP_atom)
8662 P = _IMP_atom.P
8663 
8664 _IMP_atom.S_swigconstant(_IMP_atom)
8665 S = _IMP_atom.S
8666 
8667 _IMP_atom.Cl_swigconstant(_IMP_atom)
8668 Cl = _IMP_atom.Cl
8669 
8670 _IMP_atom.Ar_swigconstant(_IMP_atom)
8671 Ar = _IMP_atom.Ar
8672 
8673 _IMP_atom.K_swigconstant(_IMP_atom)
8674 K = _IMP_atom.K
8675 
8676 _IMP_atom.Ca_swigconstant(_IMP_atom)
8677 Ca = _IMP_atom.Ca
8678 
8679 _IMP_atom.Sc_swigconstant(_IMP_atom)
8680 Sc = _IMP_atom.Sc
8681 
8682 _IMP_atom.Ti_swigconstant(_IMP_atom)
8683 Ti = _IMP_atom.Ti
8684 
8685 _IMP_atom.V_swigconstant(_IMP_atom)
8686 V = _IMP_atom.V
8687 
8688 _IMP_atom.Cr_swigconstant(_IMP_atom)
8689 Cr = _IMP_atom.Cr
8690 
8691 _IMP_atom.Mn_swigconstant(_IMP_atom)
8692 Mn = _IMP_atom.Mn
8693 
8694 _IMP_atom.Fe_swigconstant(_IMP_atom)
8695 Fe = _IMP_atom.Fe
8696 
8697 _IMP_atom.Co_swigconstant(_IMP_atom)
8698 Co = _IMP_atom.Co
8699 
8700 _IMP_atom.Ni_swigconstant(_IMP_atom)
8701 Ni = _IMP_atom.Ni
8702 
8703 _IMP_atom.Cu_swigconstant(_IMP_atom)
8704 Cu = _IMP_atom.Cu
8705 
8706 _IMP_atom.Zn_swigconstant(_IMP_atom)
8707 Zn = _IMP_atom.Zn
8708 
8709 _IMP_atom.Ga_swigconstant(_IMP_atom)
8710 Ga = _IMP_atom.Ga
8711 
8712 _IMP_atom.Ge_swigconstant(_IMP_atom)
8713 Ge = _IMP_atom.Ge
8714 
8715 _IMP_atom.As_swigconstant(_IMP_atom)
8716 As = _IMP_atom.As
8717 
8718 _IMP_atom.Se_swigconstant(_IMP_atom)
8719 Se = _IMP_atom.Se
8720 
8721 _IMP_atom.Br_swigconstant(_IMP_atom)
8722 Br = _IMP_atom.Br
8723 
8724 _IMP_atom.Kr_swigconstant(_IMP_atom)
8725 Kr = _IMP_atom.Kr
8726 
8727 _IMP_atom.Rb_swigconstant(_IMP_atom)
8728 Rb = _IMP_atom.Rb
8729 
8730 _IMP_atom.Sr_swigconstant(_IMP_atom)
8731 Sr = _IMP_atom.Sr
8732 
8733 _IMP_atom.Y_swigconstant(_IMP_atom)
8734 Y = _IMP_atom.Y
8735 
8736 _IMP_atom.Zr_swigconstant(_IMP_atom)
8737 Zr = _IMP_atom.Zr
8738 
8739 _IMP_atom.Nb_swigconstant(_IMP_atom)
8740 Nb = _IMP_atom.Nb
8741 
8742 _IMP_atom.Mo_swigconstant(_IMP_atom)
8743 Mo = _IMP_atom.Mo
8744 
8745 _IMP_atom.Tc_swigconstant(_IMP_atom)
8746 Tc = _IMP_atom.Tc
8747 
8748 _IMP_atom.Ru_swigconstant(_IMP_atom)
8749 Ru = _IMP_atom.Ru
8750 
8751 _IMP_atom.Rh_swigconstant(_IMP_atom)
8752 Rh = _IMP_atom.Rh
8753 
8754 _IMP_atom.Pd_swigconstant(_IMP_atom)
8755 Pd = _IMP_atom.Pd
8756 
8757 _IMP_atom.Ag_swigconstant(_IMP_atom)
8758 Ag = _IMP_atom.Ag
8759 
8760 _IMP_atom.Cd_swigconstant(_IMP_atom)
8761 Cd = _IMP_atom.Cd
8762 
8763 _IMP_atom.In_swigconstant(_IMP_atom)
8764 In = _IMP_atom.In
8765 
8766 _IMP_atom.Sn_swigconstant(_IMP_atom)
8767 Sn = _IMP_atom.Sn
8768 
8769 _IMP_atom.Sb_swigconstant(_IMP_atom)
8770 Sb = _IMP_atom.Sb
8771 
8772 _IMP_atom.Te_swigconstant(_IMP_atom)
8773 Te = _IMP_atom.Te
8774 
8775 _IMP_atom.I_swigconstant(_IMP_atom)
8776 I = _IMP_atom.I
8777 
8778 _IMP_atom.Xe_swigconstant(_IMP_atom)
8779 Xe = _IMP_atom.Xe
8780 
8781 _IMP_atom.Cs_swigconstant(_IMP_atom)
8782 Cs = _IMP_atom.Cs
8783 
8784 _IMP_atom.Ba_swigconstant(_IMP_atom)
8785 Ba = _IMP_atom.Ba
8786 
8787 _IMP_atom.La_swigconstant(_IMP_atom)
8788 La = _IMP_atom.La
8789 
8790 _IMP_atom.Ce_swigconstant(_IMP_atom)
8791 Ce = _IMP_atom.Ce
8792 
8793 _IMP_atom.Pr_swigconstant(_IMP_atom)
8794 Pr = _IMP_atom.Pr
8795 
8796 _IMP_atom.Nd_swigconstant(_IMP_atom)
8797 Nd = _IMP_atom.Nd
8798 
8799 _IMP_atom.Pm_swigconstant(_IMP_atom)
8800 Pm = _IMP_atom.Pm
8801 
8802 _IMP_atom.Sm_swigconstant(_IMP_atom)
8803 Sm = _IMP_atom.Sm
8804 
8805 _IMP_atom.Eu_swigconstant(_IMP_atom)
8806 Eu = _IMP_atom.Eu
8807 
8808 _IMP_atom.Gd_swigconstant(_IMP_atom)
8809 Gd = _IMP_atom.Gd
8810 
8811 _IMP_atom.Tb_swigconstant(_IMP_atom)
8812 Tb = _IMP_atom.Tb
8813 
8814 _IMP_atom.Dy_swigconstant(_IMP_atom)
8815 Dy = _IMP_atom.Dy
8816 
8817 _IMP_atom.Ho_swigconstant(_IMP_atom)
8818 Ho = _IMP_atom.Ho
8819 
8820 _IMP_atom.Er_swigconstant(_IMP_atom)
8821 Er = _IMP_atom.Er
8822 
8823 _IMP_atom.Tm_swigconstant(_IMP_atom)
8824 Tm = _IMP_atom.Tm
8825 
8826 _IMP_atom.Yb_swigconstant(_IMP_atom)
8827 Yb = _IMP_atom.Yb
8828 
8829 _IMP_atom.Lu_swigconstant(_IMP_atom)
8830 Lu = _IMP_atom.Lu
8831 
8832 _IMP_atom.Hf_swigconstant(_IMP_atom)
8833 Hf = _IMP_atom.Hf
8834 
8835 _IMP_atom.Ta_swigconstant(_IMP_atom)
8836 Ta = _IMP_atom.Ta
8837 
8838 _IMP_atom.W_swigconstant(_IMP_atom)
8839 W = _IMP_atom.W
8840 
8841 _IMP_atom.Re_swigconstant(_IMP_atom)
8842 Re = _IMP_atom.Re
8843 
8844 _IMP_atom.Os_swigconstant(_IMP_atom)
8845 Os = _IMP_atom.Os
8846 
8847 _IMP_atom.Ir_swigconstant(_IMP_atom)
8848 Ir = _IMP_atom.Ir
8849 
8850 _IMP_atom.Pt_swigconstant(_IMP_atom)
8851 Pt = _IMP_atom.Pt
8852 
8853 _IMP_atom.Au_swigconstant(_IMP_atom)
8854 Au = _IMP_atom.Au
8855 
8856 _IMP_atom.Hg_swigconstant(_IMP_atom)
8857 Hg = _IMP_atom.Hg
8858 
8859 _IMP_atom.Tl_swigconstant(_IMP_atom)
8860 Tl = _IMP_atom.Tl
8861 
8862 _IMP_atom.Pb_swigconstant(_IMP_atom)
8863 Pb = _IMP_atom.Pb
8864 
8865 _IMP_atom.Bi_swigconstant(_IMP_atom)
8866 Bi = _IMP_atom.Bi
8867 
8868 _IMP_atom.Po_swigconstant(_IMP_atom)
8869 Po = _IMP_atom.Po
8870 
8871 _IMP_atom.At_swigconstant(_IMP_atom)
8872 At = _IMP_atom.At
8873 
8874 _IMP_atom.Rn_swigconstant(_IMP_atom)
8875 Rn = _IMP_atom.Rn
8876 
8877 _IMP_atom.Fr_swigconstant(_IMP_atom)
8878 Fr = _IMP_atom.Fr
8879 
8880 _IMP_atom.Ra_swigconstant(_IMP_atom)
8881 Ra = _IMP_atom.Ra
8882 
8883 _IMP_atom.Ac_swigconstant(_IMP_atom)
8884 Ac = _IMP_atom.Ac
8885 
8886 _IMP_atom.Th_swigconstant(_IMP_atom)
8887 Th = _IMP_atom.Th
8888 
8889 _IMP_atom.Pa_swigconstant(_IMP_atom)
8890 Pa = _IMP_atom.Pa
8891 
8892 _IMP_atom.U_swigconstant(_IMP_atom)
8893 U = _IMP_atom.U
8894 
8895 _IMP_atom.Np_swigconstant(_IMP_atom)
8896 Np = _IMP_atom.Np
8897 
8898 _IMP_atom.Pu_swigconstant(_IMP_atom)
8899 Pu = _IMP_atom.Pu
8900 
8901 _IMP_atom.Am_swigconstant(_IMP_atom)
8902 Am = _IMP_atom.Am
8903 
8904 _IMP_atom.Cm_swigconstant(_IMP_atom)
8905 Cm = _IMP_atom.Cm
8906 
8907 _IMP_atom.Bk_swigconstant(_IMP_atom)
8908 Bk = _IMP_atom.Bk
8909 
8910 _IMP_atom.Cf_swigconstant(_IMP_atom)
8911 Cf = _IMP_atom.Cf
8912 
8913 _IMP_atom.Es_swigconstant(_IMP_atom)
8914 Es = _IMP_atom.Es
8915 
8916 _IMP_atom.Fm_swigconstant(_IMP_atom)
8917 Fm = _IMP_atom.Fm
8918 
8919 _IMP_atom.Md_swigconstant(_IMP_atom)
8920 Md = _IMP_atom.Md
8921 
8922 _IMP_atom.No_swigconstant(_IMP_atom)
8923 No = _IMP_atom.No
8924 
8925 _IMP_atom.Lr_swigconstant(_IMP_atom)
8926 Lr = _IMP_atom.Lr
8927 
8928 _IMP_atom.Db_swigconstant(_IMP_atom)
8929 Db = _IMP_atom.Db
8930 
8931 _IMP_atom.Jl_swigconstant(_IMP_atom)
8932 Jl = _IMP_atom.Jl
8933 
8934 _IMP_atom.Rf_swigconstant(_IMP_atom)
8935 Rf = _IMP_atom.Rf
8936 
8937 _IMP_atom.NUMBER_OF_ELEMENTS_swigconstant(_IMP_atom)
8938 NUMBER_OF_ELEMENTS = _IMP_atom.NUMBER_OF_ELEMENTS
8939 
8940 def hash_value(e):
8941  """hash_value(IMP::atom::Element e) -> size_t"""
8942  return _IMP_atom.hash_value(e)
8943 class ElementTable(object):
8944  """Proxy of C++ IMP::atom::ElementTable class"""
8945  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8946  __repr__ = _swig_repr
8947 
8948  def __init__(self):
8949  """__init__(IMP::atom::ElementTable self) -> ElementTable"""
8950  this = _IMP_atom.new_ElementTable()
8951  try:
8952  self.this.append(this)
8953  except:
8954  self.this = this
8955 
8956  def get_element(self, s):
8957  """get_element(ElementTable self, std::string const & s) -> IMP::atom::Element"""
8958  return _IMP_atom.ElementTable_get_element(self, s)
8959 
8960 
8961  def get_name(self, e):
8962  """get_name(ElementTable self, IMP::atom::Element e) -> std::string"""
8963  return _IMP_atom.ElementTable_get_name(self, e)
8964 
8965 
8966  def get_mass(self, e):
8967  """get_mass(ElementTable self, IMP::atom::Element e) -> IMP::Float"""
8968  return _IMP_atom.ElementTable_get_mass(self, e)
8969 
8970  __swig_destroy__ = _IMP_atom.delete_ElementTable
8971  __del__ = lambda self: None
8972 ElementTable_swigregister = _IMP_atom.ElementTable_swigregister
8973 ElementTable_swigregister(ElementTable)
8974 
8975 
8976 def get_element_table():
8977  """get_element_table() -> ElementTable"""
8978  return _IMP_atom.get_element_table()
8979 class Atom(Hierarchy):
8980  """Proxy of C++ IMP::atom::Atom class"""
8981  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8982 
8983  def __init__(self, *args):
8984  """
8985  __init__(IMP::atom::Atom self) -> Atom
8986  __init__(IMP::atom::Atom self, Model m, ParticleIndex id) -> Atom
8987  __init__(IMP::atom::Atom self, _ParticleAdaptor d) -> Atom
8988  """
8989  this = _IMP_atom.new_Atom(*args)
8990  try:
8991  self.this.append(this)
8992  except:
8993  self.this = this
8994 
8995  def show(self, *args):
8996  """
8997  show(Atom self, _ostream out)
8998  show(Atom self)
8999  """
9000  return _IMP_atom.Atom_show(self, *args)
9001 
9002 
9003  def setup_particle(*args):
9004  """
9005  setup_particle(Model m, ParticleIndex pi, Atom other) -> Atom
9006  setup_particle(_ParticleAdaptor decorator, Atom other) -> Atom
9007  setup_particle(Model m, ParticleIndex pi, AtomType atom_type) -> Atom
9008  setup_particle(_ParticleAdaptor decorator, AtomType atom_type) -> Atom
9009  """
9010  return _IMP_atom.Atom_setup_particle(*args)
9011 
9012  setup_particle = staticmethod(setup_particle)
9013 
9014  def get_is_setup(*args):
9015  """
9016  get_is_setup(_ParticleAdaptor p) -> bool
9017  get_is_setup(Model m, ParticleIndex pi) -> bool
9018  """
9019  return _IMP_atom.Atom_get_is_setup(*args)
9020 
9021  get_is_setup = staticmethod(get_is_setup)
9022 
9023  def get_atom_type(self):
9024  """get_atom_type(Atom self) -> AtomType"""
9025  return _IMP_atom.Atom_get_atom_type(self)
9026 
9027 
9028  def set_atom_type(self, t):
9029  """set_atom_type(Atom self, AtomType t)"""
9030  return _IMP_atom.Atom_set_atom_type(self, t)
9031 
9032 
9033  def get_element(self):
9034  """get_element(Atom self) -> IMP::atom::Element"""
9035  return _IMP_atom.Atom_get_element(self)
9036 
9037 
9038  def set_element(self, e):
9039  """set_element(Atom self, IMP::atom::Element e)"""
9040  return _IMP_atom.Atom_set_element(self, e)
9041 
9042 
9043  def get_occupancy(self):
9044  """get_occupancy(Atom self) -> double"""
9045  return _IMP_atom.Atom_get_occupancy(self)
9046 
9047 
9048  def set_occupancy(self, occupancy):
9049  """set_occupancy(Atom self, double occupancy)"""
9050  return _IMP_atom.Atom_set_occupancy(self, occupancy)
9051 
9052 
9053  def get_temperature_factor(self):
9054  """get_temperature_factor(Atom self) -> double"""
9055  return _IMP_atom.Atom_get_temperature_factor(self)
9056 
9057 
9058  def set_temperature_factor(self, tempFactor):
9059  """set_temperature_factor(Atom self, double tempFactor)"""
9060  return _IMP_atom.Atom_set_temperature_factor(self, tempFactor)
9061 
9062 
9063  def get_input_index(self):
9064  """get_input_index(Atom self) -> IMP::Int"""
9065  return _IMP_atom.Atom_get_input_index(self)
9066 
9067 
9068  def set_input_index(self, t):
9069  """set_input_index(Atom self, IMP::Int t)"""
9070  return _IMP_atom.Atom_set_input_index(self, t)
9071 
9072 
9073  def get_atom_type_key():
9074  """get_atom_type_key() -> IntKey"""
9075  return _IMP_atom.Atom_get_atom_type_key()
9076 
9077  get_atom_type_key = staticmethod(get_atom_type_key)
9078 
9079  def get_element_key():
9080  """get_element_key() -> IntKey"""
9081  return _IMP_atom.Atom_get_element_key()
9082 
9083  get_element_key = staticmethod(get_element_key)
9084 
9085  def get_input_index_key():
9086  """get_input_index_key() -> IntKey"""
9087  return _IMP_atom.Atom_get_input_index_key()
9088 
9089  get_input_index_key = staticmethod(get_input_index_key)
9090 
9091  def get_occupancy_key():
9092  """get_occupancy_key() -> FloatKey"""
9093  return _IMP_atom.Atom_get_occupancy_key()
9094 
9095  get_occupancy_key = staticmethod(get_occupancy_key)
9096 
9097  def get_temperature_factor_key():
9098  """get_temperature_factor_key() -> FloatKey"""
9099  return _IMP_atom.Atom_get_temperature_factor_key()
9100 
9101  get_temperature_factor_key = staticmethod(get_temperature_factor_key)
9102 
9103  def add_attribute(self, *args):
9104  """
9105  add_attribute(Atom self, FloatKey k, IMP::Float v, bool opt)
9106  add_attribute(Atom self, FloatKey a0, IMP::Float a1)
9107  add_attribute(Atom self, IntKey a0, IMP::Int a1)
9108  add_attribute(Atom self, FloatsKey a0, IMP::Floats a1)
9109  add_attribute(Atom self, IntsKey a0, IMP::Ints a1)
9110  add_attribute(Atom self, StringKey a0, IMP::String a1)
9111  add_attribute(Atom self, ParticleIndexKey a0, Particle a1)
9112  add_attribute(Atom self, ObjectKey a0, Object a1)
9113  """
9114  return _IMP_atom.Atom_add_attribute(self, *args)
9115 
9116 
9117  def get_value(self, *args):
9118  """
9119  get_value(Atom self, FloatKey a0) -> IMP::Float
9120  get_value(Atom self, IntKey a0) -> IMP::Int
9121  get_value(Atom self, FloatsKey a0) -> IMP::Floats
9122  get_value(Atom self, IntsKey a0) -> IMP::Ints
9123  get_value(Atom self, StringKey a0) -> IMP::String
9124  get_value(Atom self, ParticleIndexKey a0) -> Particle
9125  get_value(Atom self, ObjectKey a0) -> Object
9126  """
9127  return _IMP_atom.Atom_get_value(self, *args)
9128 
9129 
9130  def set_value(self, *args):
9131  """
9132  set_value(Atom self, FloatKey a0, IMP::Float a1)
9133  set_value(Atom self, IntKey a0, IMP::Int a1)
9134  set_value(Atom self, FloatsKey a0, IMP::Floats a1)
9135  set_value(Atom self, IntsKey a0, IMP::Ints a1)
9136  set_value(Atom self, StringKey a0, IMP::String a1)
9137  set_value(Atom self, ParticleIndexKey a0, Particle a1)
9138  set_value(Atom self, ObjectKey a0, Object a1)
9139  """
9140  return _IMP_atom.Atom_set_value(self, *args)
9141 
9142 
9143  def remove_attribute(self, *args):
9144  """
9145  remove_attribute(Atom self, FloatKey a0)
9146  remove_attribute(Atom self, IntKey a0)
9147  remove_attribute(Atom self, FloatsKey a0)
9148  remove_attribute(Atom self, IntsKey a0)
9149  remove_attribute(Atom self, StringKey a0)
9150  remove_attribute(Atom self, ParticleIndexKey a0)
9151  remove_attribute(Atom self, ObjectKey a0)
9152  """
9153  return _IMP_atom.Atom_remove_attribute(self, *args)
9154 
9155 
9156  def has_attribute(self, *args):
9157  """
9158  has_attribute(Atom self, FloatKey a0) -> bool
9159  has_attribute(Atom self, IntKey a0) -> bool
9160  has_attribute(Atom self, FloatsKey a0) -> bool
9161  has_attribute(Atom self, IntsKey a0) -> bool
9162  has_attribute(Atom self, StringKey a0) -> bool
9163  has_attribute(Atom self, ParticleIndexKey a0) -> bool
9164  has_attribute(Atom self, ObjectKey a0) -> bool
9165  """
9166  return _IMP_atom.Atom_has_attribute(self, *args)
9167 
9168 
9169  def get_derivative(self, a0):
9170  """get_derivative(Atom self, FloatKey a0) -> double"""
9171  return _IMP_atom.Atom_get_derivative(self, a0)
9172 
9173 
9174  def get_name(self):
9175  """get_name(Atom self) -> std::string"""
9176  return _IMP_atom.Atom_get_name(self)
9177 
9178 
9179  def clear_caches(self):
9180  """clear_caches(Atom self)"""
9181  return _IMP_atom.Atom_clear_caches(self)
9182 
9183 
9184  def set_name(self, a0):
9185  """set_name(Atom self, std::string a0)"""
9186  return _IMP_atom.Atom_set_name(self, a0)
9187 
9188 
9189  def set_check_level(self, a0):
9190  """set_check_level(Atom self, IMP::CheckLevel a0)"""
9191  return _IMP_atom.Atom_set_check_level(self, a0)
9192 
9193 
9194  def add_to_derivative(self, a0, a1, a2):
9195  """add_to_derivative(Atom self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9196  return _IMP_atom.Atom_add_to_derivative(self, a0, a1, a2)
9197 
9198 
9199  def set_is_optimized(self, a0, a1):
9200  """set_is_optimized(Atom self, FloatKey a0, bool a1)"""
9201  return _IMP_atom.Atom_set_is_optimized(self, a0, a1)
9202 
9203 
9204  def get_is_optimized(self, a0):
9205  """get_is_optimized(Atom self, FloatKey a0) -> bool"""
9206  return _IMP_atom.Atom_get_is_optimized(self, a0)
9207 
9208 
9209  def get_check_level(self):
9210  """get_check_level(Atom self) -> IMP::CheckLevel"""
9211  return _IMP_atom.Atom_get_check_level(self)
9212 
9213 
9214  def __eq__(self, *args):
9215  """
9216  __eq__(Atom self, Atom o) -> bool
9217  __eq__(Atom self, Particle d) -> bool
9218  """
9219  return _IMP_atom.Atom___eq__(self, *args)
9220 
9221 
9222  def __ne__(self, *args):
9223  """
9224  __ne__(Atom self, Atom o) -> bool
9225  __ne__(Atom self, Particle d) -> bool
9226  """
9227  return _IMP_atom.Atom___ne__(self, *args)
9228 
9229 
9230  def __le__(self, *args):
9231  """
9232  __le__(Atom self, Atom o) -> bool
9233  __le__(Atom self, Particle d) -> bool
9234  """
9235  return _IMP_atom.Atom___le__(self, *args)
9236 
9237 
9238  def __lt__(self, *args):
9239  """
9240  __lt__(Atom self, Atom o) -> bool
9241  __lt__(Atom self, Particle d) -> bool
9242  """
9243  return _IMP_atom.Atom___lt__(self, *args)
9244 
9245 
9246  def __ge__(self, *args):
9247  """
9248  __ge__(Atom self, Atom o) -> bool
9249  __ge__(Atom self, Particle d) -> bool
9250  """
9251  return _IMP_atom.Atom___ge__(self, *args)
9252 
9253 
9254  def __gt__(self, *args):
9255  """
9256  __gt__(Atom self, Atom o) -> bool
9257  __gt__(Atom self, Particle d) -> bool
9258  """
9259  return _IMP_atom.Atom___gt__(self, *args)
9260 
9261 
9262  def __hash__(self):
9263  """__hash__(Atom self) -> std::size_t"""
9264  return _IMP_atom.Atom___hash__(self)
9265 
9266 
9267  def __str__(self):
9268  """__str__(Atom self) -> std::string"""
9269  return _IMP_atom.Atom___str__(self)
9270 
9271 
9272  def __repr__(self):
9273  """__repr__(Atom self) -> std::string"""
9274  return _IMP_atom.Atom___repr__(self)
9275 
9276  __swig_destroy__ = _IMP_atom.delete_Atom
9277  __del__ = lambda self: None
9278 Atom_swigregister = _IMP_atom.Atom_swigregister
9279 Atom_swigregister(Atom)
9280 AT_UNKNOWN = cvar.AT_UNKNOWN
9281 AT_N = cvar.AT_N
9282 AT_CA = cvar.AT_CA
9283 AT_C = cvar.AT_C
9284 AT_O = cvar.AT_O
9285 AT_H = cvar.AT_H
9286 AT_H1 = cvar.AT_H1
9287 AT_H2 = cvar.AT_H2
9288 AT_H3 = cvar.AT_H3
9289 AT_HA = cvar.AT_HA
9290 AT_HA1 = cvar.AT_HA1
9291 AT_HA2 = cvar.AT_HA2
9292 AT_HA3 = cvar.AT_HA3
9293 AT_CB = cvar.AT_CB
9294 AT_HB = cvar.AT_HB
9295 AT_HB1 = cvar.AT_HB1
9296 AT_HB2 = cvar.AT_HB2
9297 AT_HB3 = cvar.AT_HB3
9298 AT_OXT = cvar.AT_OXT
9299 AT_CH3 = cvar.AT_CH3
9300 AT_CH = cvar.AT_CH
9301 AT_CG = cvar.AT_CG
9302 AT_CG1 = cvar.AT_CG1
9303 AT_CG2 = cvar.AT_CG2
9304 AT_HG = cvar.AT_HG
9305 AT_HG1 = cvar.AT_HG1
9306 AT_HG2 = cvar.AT_HG2
9307 AT_HG3 = cvar.AT_HG3
9308 AT_HG11 = cvar.AT_HG11
9309 AT_HG21 = cvar.AT_HG21
9310 AT_HG31 = cvar.AT_HG31
9311 AT_HG12 = cvar.AT_HG12
9312 AT_HG13 = cvar.AT_HG13
9313 AT_HG22 = cvar.AT_HG22
9314 AT_HG23 = cvar.AT_HG23
9315 AT_HG32 = cvar.AT_HG32
9316 AT_OG = cvar.AT_OG
9317 AT_OG1 = cvar.AT_OG1
9318 AT_SG = cvar.AT_SG
9319 AT_CD = cvar.AT_CD
9320 AT_CD1 = cvar.AT_CD1
9321 AT_CD2 = cvar.AT_CD2
9322 AT_HD = cvar.AT_HD
9323 AT_HD1 = cvar.AT_HD1
9324 AT_HD2 = cvar.AT_HD2
9325 AT_HD3 = cvar.AT_HD3
9326 AT_HD11 = cvar.AT_HD11
9327 AT_HD21 = cvar.AT_HD21
9328 AT_HD31 = cvar.AT_HD31
9329 AT_HD12 = cvar.AT_HD12
9330 AT_HD13 = cvar.AT_HD13
9331 AT_HD22 = cvar.AT_HD22
9332 AT_HD23 = cvar.AT_HD23
9333 AT_HD32 = cvar.AT_HD32
9334 AT_SD = cvar.AT_SD
9335 AT_OD1 = cvar.AT_OD1
9336 AT_OD2 = cvar.AT_OD2
9337 AT_ND1 = cvar.AT_ND1
9338 AT_ND2 = cvar.AT_ND2
9339 AT_CE = cvar.AT_CE
9340 AT_CE1 = cvar.AT_CE1
9341 AT_CE2 = cvar.AT_CE2
9342 AT_CE3 = cvar.AT_CE3
9343 AT_HE = cvar.AT_HE
9344 AT_HE1 = cvar.AT_HE1
9345 AT_HE2 = cvar.AT_HE2
9346 AT_HE3 = cvar.AT_HE3
9347 AT_HE21 = cvar.AT_HE21
9348 AT_HE22 = cvar.AT_HE22
9349 AT_OE1 = cvar.AT_OE1
9350 AT_OE2 = cvar.AT_OE2
9351 AT_NE = cvar.AT_NE
9352 AT_NE1 = cvar.AT_NE1
9353 AT_NE2 = cvar.AT_NE2
9354 AT_CZ = cvar.AT_CZ
9355 AT_CZ2 = cvar.AT_CZ2
9356 AT_CZ3 = cvar.AT_CZ3
9357 AT_NZ = cvar.AT_NZ
9358 AT_HZ = cvar.AT_HZ
9359 AT_HZ1 = cvar.AT_HZ1
9360 AT_HZ2 = cvar.AT_HZ2
9361 AT_HZ3 = cvar.AT_HZ3
9362 AT_CH2 = cvar.AT_CH2
9363 AT_NH1 = cvar.AT_NH1
9364 AT_NH2 = cvar.AT_NH2
9365 AT_OH = cvar.AT_OH
9366 AT_HH = cvar.AT_HH
9367 AT_HH11 = cvar.AT_HH11
9368 AT_HH21 = cvar.AT_HH21
9369 AT_HH2 = cvar.AT_HH2
9370 AT_HH12 = cvar.AT_HH12
9371 AT_HH22 = cvar.AT_HH22
9372 AT_HH13 = cvar.AT_HH13
9373 AT_HH23 = cvar.AT_HH23
9374 AT_HH33 = cvar.AT_HH33
9375 AT_P = cvar.AT_P
9376 AT_OP1 = cvar.AT_OP1
9377 AT_OP2 = cvar.AT_OP2
9378 AT_OP3 = cvar.AT_OP3
9379 AT_O5p = cvar.AT_O5p
9380 AT_C5p = cvar.AT_C5p
9381 AT_H5p = cvar.AT_H5p
9382 AT_H5pp = cvar.AT_H5pp
9383 AT_C4p = cvar.AT_C4p
9384 AT_H4p = cvar.AT_H4p
9385 AT_O4p = cvar.AT_O4p
9386 AT_C1p = cvar.AT_C1p
9387 AT_H1p = cvar.AT_H1p
9388 AT_C3p = cvar.AT_C3p
9389 AT_H3p = cvar.AT_H3p
9390 AT_O3p = cvar.AT_O3p
9391 AT_C2p = cvar.AT_C2p
9392 AT_H2p = cvar.AT_H2p
9393 AT_H2pp = cvar.AT_H2pp
9394 AT_O2p = cvar.AT_O2p
9395 AT_HO2p = cvar.AT_HO2p
9396 AT_N9 = cvar.AT_N9
9397 AT_C8 = cvar.AT_C8
9398 AT_H8 = cvar.AT_H8
9399 AT_N7 = cvar.AT_N7
9400 AT_C5 = cvar.AT_C5
9401 AT_C4 = cvar.AT_C4
9402 AT_N3 = cvar.AT_N3
9403 AT_C2 = cvar.AT_C2
9404 AT_N1 = cvar.AT_N1
9405 AT_C6 = cvar.AT_C6
9406 AT_N6 = cvar.AT_N6
9407 AT_H61 = cvar.AT_H61
9408 AT_H62 = cvar.AT_H62
9409 AT_O6 = cvar.AT_O6
9410 AT_N2 = cvar.AT_N2
9411 AT_NT = cvar.AT_NT
9412 AT_H21 = cvar.AT_H21
9413 AT_H22 = cvar.AT_H22
9414 AT_H6 = cvar.AT_H6
9415 AT_H5 = cvar.AT_H5
9416 AT_O2 = cvar.AT_O2
9417 AT_N4 = cvar.AT_N4
9418 AT_H41 = cvar.AT_H41
9419 AT_H42 = cvar.AT_H42
9420 AT_O4 = cvar.AT_O4
9421 AT_C7 = cvar.AT_C7
9422 AT_H71 = cvar.AT_H71
9423 AT_H72 = cvar.AT_H72
9424 AT_H73 = cvar.AT_H73
9425 AT_O1A = cvar.AT_O1A
9426 AT_O2A = cvar.AT_O2A
9427 AT_O3A = cvar.AT_O3A
9428 AT_O1B = cvar.AT_O1B
9429 AT_O2B = cvar.AT_O2B
9430 AT_O3B = cvar.AT_O3B
9431 AT_CAY = cvar.AT_CAY
9432 AT_CY = cvar.AT_CY
9433 AT_OY = cvar.AT_OY
9434 AT_CAT = cvar.AT_CAT
9435 
9436 def Atom_setup_particle(*args):
9437  """
9438  setup_particle(Model m, ParticleIndex pi, Atom other) -> Atom
9439  setup_particle(_ParticleAdaptor decorator, Atom other) -> Atom
9440  setup_particle(Model m, ParticleIndex pi, AtomType atom_type) -> Atom
9441  Atom_setup_particle(_ParticleAdaptor decorator, AtomType atom_type) -> Atom
9442  """
9443  return _IMP_atom.Atom_setup_particle(*args)
9444 
9445 def Atom_get_is_setup(*args):
9446  """
9447  get_is_setup(_ParticleAdaptor p) -> bool
9448  Atom_get_is_setup(Model m, ParticleIndex pi) -> bool
9449  """
9450  return _IMP_atom.Atom_get_is_setup(*args)
9451 
9452 def Atom_get_atom_type_key():
9453  """Atom_get_atom_type_key() -> IntKey"""
9454  return _IMP_atom.Atom_get_atom_type_key()
9455 
9456 def Atom_get_element_key():
9457  """Atom_get_element_key() -> IntKey"""
9458  return _IMP_atom.Atom_get_element_key()
9459 
9460 def Atom_get_input_index_key():
9461  """Atom_get_input_index_key() -> IntKey"""
9462  return _IMP_atom.Atom_get_input_index_key()
9463 
9464 def Atom_get_occupancy_key():
9465  """Atom_get_occupancy_key() -> FloatKey"""
9466  return _IMP_atom.Atom_get_occupancy_key()
9467 
9468 def Atom_get_temperature_factor_key():
9469  """Atom_get_temperature_factor_key() -> FloatKey"""
9470  return _IMP_atom.Atom_get_temperature_factor_key()
9471 
9472 
9473 def get_residue(*args):
9474  """
9475  get_residue(Hierarchy mhd, unsigned int index) -> Hierarchy
9476  get_residue(Atom d, bool nothrow=False) -> Residue
9477  get_residue(Atom d) -> Residue
9478  """
9479  return _IMP_atom.get_residue(*args)
9480 
9481 def get_atom(rd, at):
9482  """get_atom(Residue rd, AtomType at) -> Atom"""
9483  return _IMP_atom.get_atom(rd, at)
9484 
9485 def add_atom_type(name, e):
9486  """add_atom_type(std::string name, IMP::atom::Element e) -> AtomType"""
9487  return _IMP_atom.add_atom_type(name, e)
9488 
9489 def get_element_for_atom_type(at):
9490  """get_element_for_atom_type(AtomType at) -> IMP::atom::Element"""
9491  return _IMP_atom.get_element_for_atom_type(at)
9492 
9493 def get_atom_type_exists(name):
9494  """get_atom_type_exists(std::string name) -> bool"""
9495  return _IMP_atom.get_atom_type_exists(name)
9496 class Residue(Hierarchy):
9497  """Proxy of C++ IMP::atom::Residue class"""
9498  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
9499 
9500  def __init__(self, *args):
9501  """
9502  __init__(IMP::atom::Residue self) -> Residue
9503  __init__(IMP::atom::Residue self, Model m, ParticleIndex id) -> Residue
9504  __init__(IMP::atom::Residue self, _ParticleAdaptor d) -> Residue
9505  """
9506  this = _IMP_atom.new_Residue(*args)
9507  try:
9508  self.this.append(this)
9509  except:
9510  self.this = this
9511 
9512  def show(self, *args):
9513  """
9514  show(Residue self, _ostream out)
9515  show(Residue self)
9516  """
9517  return _IMP_atom.Residue_show(self, *args)
9518 
9519 
9520  def setup_particle(*args):
9521  """
9522  setup_particle(Model m, ParticleIndex pi, ResidueType t, int index, int insertion_code) -> Residue
9523  setup_particle(_ParticleAdaptor decorator, ResidueType t, int index, int insertion_code) -> Residue
9524  setup_particle(Model m, ParticleIndex pi, ResidueType t, int index) -> Residue
9525  setup_particle(_ParticleAdaptor decorator, ResidueType t, int index) -> Residue
9526  setup_particle(Model m, ParticleIndex pi, ResidueType t) -> Residue
9527  setup_particle(_ParticleAdaptor decorator, ResidueType t) -> Residue
9528  setup_particle(Model m, ParticleIndex pi, Residue other) -> Residue
9529  setup_particle(_ParticleAdaptor decorator, Residue other) -> Residue
9530  """
9531  return _IMP_atom.Residue_setup_particle(*args)
9532 
9533  setup_particle = staticmethod(setup_particle)
9534 
9535  def get_is_setup(*args):
9536  """
9537  get_is_setup(_ParticleAdaptor p) -> bool
9538  get_is_setup(Model m, ParticleIndex pi) -> bool
9539  """
9540  return _IMP_atom.Residue_get_is_setup(*args)
9541 
9542  get_is_setup = staticmethod(get_is_setup)
9543 
9544  def get_residue_type(self):
9545  """get_residue_type(Residue self) -> ResidueType"""
9546  return _IMP_atom.Residue_get_residue_type(self)
9547 
9548 
9549  def set_residue_type(self, t):
9550  """set_residue_type(Residue self, ResidueType t)"""
9551  return _IMP_atom.Residue_set_residue_type(self, t)
9552 
9553 
9554  def get_is_protein(self):
9555  """get_is_protein(Residue self) -> bool"""
9556  return _IMP_atom.Residue_get_is_protein(self)
9557 
9558 
9559  def get_is_dna(self):
9560  """get_is_dna(Residue self) -> bool"""
9561  return _IMP_atom.Residue_get_is_dna(self)
9562 
9563 
9564  def get_is_rna(self):
9565  """get_is_rna(Residue self) -> bool"""
9566  return _IMP_atom.Residue_get_is_rna(self)
9567 
9568 
9569  def get_index(self):
9570  """get_index(Residue self) -> IMP::Int"""
9571  return _IMP_atom.Residue_get_index(self)
9572 
9573 
9574  def set_index(self, t):
9575  """set_index(Residue self, IMP::Int t)"""
9576  return _IMP_atom.Residue_set_index(self, t)
9577 
9578 
9579  def get_insertion_code(self):
9580  """get_insertion_code(Residue self) -> char"""
9581  return _IMP_atom.Residue_get_insertion_code(self)
9582 
9583 
9584  def set_insertion_code(self, insertion_code):
9585  """set_insertion_code(Residue self, char insertion_code)"""
9586  return _IMP_atom.Residue_set_insertion_code(self, insertion_code)
9587 
9588 
9589  def get_index_key():
9590  """get_index_key() -> IntKey"""
9591  return _IMP_atom.Residue_get_index_key()
9592 
9593  get_index_key = staticmethod(get_index_key)
9594 
9595  def get_residue_type_key():
9596  """get_residue_type_key() -> IntKey"""
9597  return _IMP_atom.Residue_get_residue_type_key()
9598 
9599  get_residue_type_key = staticmethod(get_residue_type_key)
9600 
9601  def get_insertion_code_key():
9602  """get_insertion_code_key() -> IntKey"""
9603  return _IMP_atom.Residue_get_insertion_code_key()
9604 
9605  get_insertion_code_key = staticmethod(get_insertion_code_key)
9606 
9607  def get_type_changed_key():
9608  """get_type_changed_key() -> TriggerKey"""
9609  return _IMP_atom.Residue_get_type_changed_key()
9610 
9611  get_type_changed_key = staticmethod(get_type_changed_key)
9612 
9613  def add_attribute(self, *args):
9614  """
9615  add_attribute(Residue self, FloatKey k, IMP::Float v, bool opt)
9616  add_attribute(Residue self, FloatKey a0, IMP::Float a1)
9617  add_attribute(Residue self, IntKey a0, IMP::Int a1)
9618  add_attribute(Residue self, FloatsKey a0, IMP::Floats a1)
9619  add_attribute(Residue self, IntsKey a0, IMP::Ints a1)
9620  add_attribute(Residue self, StringKey a0, IMP::String a1)
9621  add_attribute(Residue self, ParticleIndexKey a0, Particle a1)
9622  add_attribute(Residue self, ObjectKey a0, Object a1)
9623  """
9624  return _IMP_atom.Residue_add_attribute(self, *args)
9625 
9626 
9627  def get_value(self, *args):
9628  """
9629  get_value(Residue self, FloatKey a0) -> IMP::Float
9630  get_value(Residue self, IntKey a0) -> IMP::Int
9631  get_value(Residue self, FloatsKey a0) -> IMP::Floats
9632  get_value(Residue self, IntsKey a0) -> IMP::Ints
9633  get_value(Residue self, StringKey a0) -> IMP::String
9634  get_value(Residue self, ParticleIndexKey a0) -> Particle
9635  get_value(Residue self, ObjectKey a0) -> Object
9636  """
9637  return _IMP_atom.Residue_get_value(self, *args)
9638 
9639 
9640  def set_value(self, *args):
9641  """
9642  set_value(Residue self, FloatKey a0, IMP::Float a1)
9643  set_value(Residue self, IntKey a0, IMP::Int a1)
9644  set_value(Residue self, FloatsKey a0, IMP::Floats a1)
9645  set_value(Residue self, IntsKey a0, IMP::Ints a1)
9646  set_value(Residue self, StringKey a0, IMP::String a1)
9647  set_value(Residue self, ParticleIndexKey a0, Particle a1)
9648  set_value(Residue self, ObjectKey a0, Object a1)
9649  """
9650  return _IMP_atom.Residue_set_value(self, *args)
9651 
9652 
9653  def remove_attribute(self, *args):
9654  """
9655  remove_attribute(Residue self, FloatKey a0)
9656  remove_attribute(Residue self, IntKey a0)
9657  remove_attribute(Residue self, FloatsKey a0)
9658  remove_attribute(Residue self, IntsKey a0)
9659  remove_attribute(Residue self, StringKey a0)
9660  remove_attribute(Residue self, ParticleIndexKey a0)
9661  remove_attribute(Residue self, ObjectKey a0)
9662  """
9663  return _IMP_atom.Residue_remove_attribute(self, *args)
9664 
9665 
9666  def has_attribute(self, *args):
9667  """
9668  has_attribute(Residue self, FloatKey a0) -> bool
9669  has_attribute(Residue self, IntKey a0) -> bool
9670  has_attribute(Residue self, FloatsKey a0) -> bool
9671  has_attribute(Residue self, IntsKey a0) -> bool
9672  has_attribute(Residue self, StringKey a0) -> bool
9673  has_attribute(Residue self, ParticleIndexKey a0) -> bool
9674  has_attribute(Residue self, ObjectKey a0) -> bool
9675  """
9676  return _IMP_atom.Residue_has_attribute(self, *args)
9677 
9678 
9679  def get_derivative(self, a0):
9680  """get_derivative(Residue self, FloatKey a0) -> double"""
9681  return _IMP_atom.Residue_get_derivative(self, a0)
9682 
9683 
9684  def get_name(self):
9685  """get_name(Residue self) -> std::string"""
9686  return _IMP_atom.Residue_get_name(self)
9687 
9688 
9689  def clear_caches(self):
9690  """clear_caches(Residue self)"""
9691  return _IMP_atom.Residue_clear_caches(self)
9692 
9693 
9694  def set_name(self, a0):
9695  """set_name(Residue self, std::string a0)"""
9696  return _IMP_atom.Residue_set_name(self, a0)
9697 
9698 
9699  def set_check_level(self, a0):
9700  """set_check_level(Residue self, IMP::CheckLevel a0)"""
9701  return _IMP_atom.Residue_set_check_level(self, a0)
9702 
9703 
9704  def add_to_derivative(self, a0, a1, a2):
9705  """add_to_derivative(Residue self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9706  return _IMP_atom.Residue_add_to_derivative(self, a0, a1, a2)
9707 
9708 
9709  def set_is_optimized(self, a0, a1):
9710  """set_is_optimized(Residue self, FloatKey a0, bool a1)"""
9711  return _IMP_atom.Residue_set_is_optimized(self, a0, a1)
9712 
9713 
9714  def get_is_optimized(self, a0):
9715  """get_is_optimized(Residue self, FloatKey a0) -> bool"""
9716  return _IMP_atom.Residue_get_is_optimized(self, a0)
9717 
9718 
9719  def get_check_level(self):
9720  """get_check_level(Residue self) -> IMP::CheckLevel"""
9721  return _IMP_atom.Residue_get_check_level(self)
9722 
9723 
9724  def __eq__(self, *args):
9725  """
9726  __eq__(Residue self, Residue o) -> bool
9727  __eq__(Residue self, Particle d) -> bool
9728  """
9729  return _IMP_atom.Residue___eq__(self, *args)
9730 
9731 
9732  def __ne__(self, *args):
9733  """
9734  __ne__(Residue self, Residue o) -> bool
9735  __ne__(Residue self, Particle d) -> bool
9736  """
9737  return _IMP_atom.Residue___ne__(self, *args)
9738 
9739 
9740  def __le__(self, *args):
9741  """
9742  __le__(Residue self, Residue o) -> bool
9743  __le__(Residue self, Particle d) -> bool
9744  """
9745  return _IMP_atom.Residue___le__(self, *args)
9746 
9747 
9748  def __lt__(self, *args):
9749  """
9750  __lt__(Residue self, Residue o) -> bool
9751  __lt__(Residue self, Particle d) -> bool
9752  """
9753  return _IMP_atom.Residue___lt__(self, *args)
9754 
9755 
9756  def __ge__(self, *args):
9757  """
9758  __ge__(Residue self, Residue o) -> bool
9759  __ge__(Residue self, Particle d) -> bool
9760  """
9761  return _IMP_atom.Residue___ge__(self, *args)
9762 
9763 
9764  def __gt__(self, *args):
9765  """
9766  __gt__(Residue self, Residue o) -> bool
9767  __gt__(Residue self, Particle d) -> bool
9768  """
9769  return _IMP_atom.Residue___gt__(self, *args)
9770 
9771 
9772  def __hash__(self):
9773  """__hash__(Residue self) -> std::size_t"""
9774  return _IMP_atom.Residue___hash__(self)
9775 
9776 
9777  def __str__(self):
9778  """__str__(Residue self) -> std::string"""
9779  return _IMP_atom.Residue___str__(self)
9780 
9781 
9782  def __repr__(self):
9783  """__repr__(Residue self) -> std::string"""
9784  return _IMP_atom.Residue___repr__(self)
9785 
9786  __swig_destroy__ = _IMP_atom.delete_Residue
9787  __del__ = lambda self: None
9788 Residue_swigregister = _IMP_atom.Residue_swigregister
9789 Residue_swigregister(Residue)
9790 UNK = cvar.UNK
9791 GLY = cvar.GLY
9792 ALA = cvar.ALA
9793 VAL = cvar.VAL
9794 LEU = cvar.LEU
9795 ILE = cvar.ILE
9796 SER = cvar.SER
9797 THR = cvar.THR
9798 CYS = cvar.CYS
9799 MET = cvar.MET
9800 PRO = cvar.PRO
9801 ASP = cvar.ASP
9802 ASN = cvar.ASN
9803 GLU = cvar.GLU
9804 GLN = cvar.GLN
9805 LYS = cvar.LYS
9806 ARG = cvar.ARG
9807 HIS = cvar.HIS
9808 PHE = cvar.PHE
9809 TYR = cvar.TYR
9810 TRP = cvar.TRP
9811 ACE = cvar.ACE
9812 NH2 = cvar.NH2
9813 MSE = cvar.MSE
9814 ADE = cvar.ADE
9815 URA = cvar.URA
9816 CYT = cvar.CYT
9817 GUA = cvar.GUA
9818 THY = cvar.THY
9819 DADE = cvar.DADE
9820 DURA = cvar.DURA
9821 DCYT = cvar.DCYT
9822 DGUA = cvar.DGUA
9823 DTHY = cvar.DTHY
9824 HOH = cvar.HOH
9825 HEME = cvar.HEME
9826 POP = cvar.POP
9827 
9828 def Residue_setup_particle(*args):
9829  """
9830  setup_particle(Model m, ParticleIndex pi, ResidueType t, int index, int insertion_code) -> Residue
9831  setup_particle(_ParticleAdaptor decorator, ResidueType t, int index, int insertion_code) -> Residue
9832  setup_particle(Model m, ParticleIndex pi, ResidueType t, int index) -> Residue
9833  setup_particle(_ParticleAdaptor decorator, ResidueType t, int index) -> Residue
9834  setup_particle(Model m, ParticleIndex pi, ResidueType t) -> Residue
9835  setup_particle(_ParticleAdaptor decorator, ResidueType t) -> Residue
9836  setup_particle(Model m, ParticleIndex pi, Residue other) -> Residue
9837  Residue_setup_particle(_ParticleAdaptor decorator, Residue other) -> Residue
9838  """
9839  return _IMP_atom.Residue_setup_particle(*args)
9840 
9841 def Residue_get_is_setup(*args):
9842  """
9843  get_is_setup(_ParticleAdaptor p) -> bool
9844  Residue_get_is_setup(Model m, ParticleIndex pi) -> bool
9845  """
9846  return _IMP_atom.Residue_get_is_setup(*args)
9847 
9848 def Residue_get_index_key():
9849  """Residue_get_index_key() -> IntKey"""
9850  return _IMP_atom.Residue_get_index_key()
9851 
9852 def Residue_get_residue_type_key():
9853  """Residue_get_residue_type_key() -> IntKey"""
9854  return _IMP_atom.Residue_get_residue_type_key()
9855 
9856 def Residue_get_insertion_code_key():
9857  """Residue_get_insertion_code_key() -> IntKey"""
9858  return _IMP_atom.Residue_get_insertion_code_key()
9859 
9860 def Residue_get_type_changed_key():
9861  """Residue_get_type_changed_key() -> TriggerKey"""
9862  return _IMP_atom.Residue_get_type_changed_key()
9863 
9864 
9865 def get_next_residue(rd):
9866  """get_next_residue(Residue rd) -> Hierarchy"""
9867  return _IMP_atom.get_next_residue(rd)
9868 
9869 def get_previous_residue(rd):
9870  """get_previous_residue(Residue rd) -> Hierarchy"""
9871  return _IMP_atom.get_previous_residue(rd)
9872 
9873 def get_one_letter_code(c):
9874  """get_one_letter_code(ResidueType c) -> char"""
9875  return _IMP_atom.get_one_letter_code(c)
9876 
9877 _IMP_atom.BALLS_swigconstant(_IMP_atom)
9878 BALLS = _IMP_atom.BALLS
9879 
9880 _IMP_atom.DENSITIES_swigconstant(_IMP_atom)
9881 DENSITIES = _IMP_atom.DENSITIES
9882 class Representation(Hierarchy):
9883  """Proxy of C++ IMP::atom::Representation class"""
9884  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
9885 
9886  def setup_particle(*args):
9887  """
9888  setup_particle(Model m, ParticleIndex pi) -> Representation
9889  setup_particle(_ParticleAdaptor decorator) -> Representation
9890  setup_particle(Model m, ParticleIndex pi, double resolution) -> Representation
9891  setup_particle(_ParticleAdaptor decorator, double resolution) -> Representation
9892  setup_particle(Model m, ParticleIndex pi, Representation other) -> Representation
9893  setup_particle(_ParticleAdaptor decorator, Representation other) -> Representation
9894  """
9895  return _IMP_atom.Representation_setup_particle(*args)
9896 
9897  setup_particle = staticmethod(setup_particle)
9898 
9899  def __init__(self, *args):
9900  """
9901  __init__(IMP::atom::Representation self) -> Representation
9902  __init__(IMP::atom::Representation self, Model m, ParticleIndex id) -> Representation
9903  __init__(IMP::atom::Representation self, _ParticleAdaptor d) -> Representation
9904  """
9905  this = _IMP_atom.new_Representation(*args)
9906  try:
9907  self.this.append(this)
9908  except:
9909  self.this = this
9910 
9911  def show(self, *args):
9912  """
9913  show(Representation self, _ostream out)
9914  show(Representation self)
9915  """
9916  return _IMP_atom.Representation_show(self, *args)
9917 
9918 
9919  def get_is_setup(*args):
9920  """
9921  get_is_setup(_ParticleAdaptor p) -> bool
9922  get_is_setup(Model m, ParticleIndex pi) -> bool
9923  """
9924  return _IMP_atom.Representation_get_is_setup(*args)
9925 
9926  get_is_setup = staticmethod(get_is_setup)
9927 
9928  def get_representation(self, *args):
9929  """
9930  get_representation(Representation self, double resolution, IMP::atom::RepresentationType type) -> Hierarchy
9931  get_representation(Representation self, double resolution) -> Hierarchy
9932  """
9933  return _IMP_atom.Representation_get_representation(self, *args)
9934 
9935 
9936  def get_representations(self, *args):
9937  """
9938  get_representations(Representation self, IMP::atom::RepresentationType type) -> IMP::atom::Hierarchies
9939  get_representations(Representation self) -> IMP::atom::Hierarchies
9940  """
9941  return _IMP_atom.Representation_get_representations(self, *args)
9942 
9943 
9944  def add_representation(self, *args):
9945  """
9946  add_representation(Representation self, _ParticleIndexAdaptor rep, IMP::atom::RepresentationType type, double resolution=-1)
9947  add_representation(Representation self, _ParticleIndexAdaptor rep, IMP::atom::RepresentationType type)
9948  add_representation(Representation self, _ParticleIndexAdaptor rep)
9949  """
9950  return _IMP_atom.Representation_add_representation(self, *args)
9951 
9952 
9953  def get_resolutions(self, *args):
9954  """
9955  get_resolutions(Representation self, IMP::atom::RepresentationType type) -> IMP::Floats
9956  get_resolutions(Representation self) -> IMP::Floats
9957  """
9958  return _IMP_atom.Representation_get_resolutions(self, *args)
9959 
9960 
9961  def remove_representation(self, rep):
9962  """remove_representation(Representation self, _ParticleIndexAdaptor rep)"""
9963  return _IMP_atom.Representation_remove_representation(self, rep)
9964 
9965 
9966  def update_parents(self):
9967  """update_parents(Representation self)"""
9968  return _IMP_atom.Representation_update_parents(self)
9969 
9970 
9971  def add_attribute(self, *args):
9972  """
9973  add_attribute(Representation self, FloatKey k, IMP::Float v, bool opt)
9974  add_attribute(Representation self, FloatKey a0, IMP::Float a1)
9975  add_attribute(Representation self, IntKey a0, IMP::Int a1)
9976  add_attribute(Representation self, FloatsKey a0, IMP::Floats a1)
9977  add_attribute(Representation self, IntsKey a0, IMP::Ints a1)
9978  add_attribute(Representation self, StringKey a0, IMP::String a1)
9979  add_attribute(Representation self, ParticleIndexKey a0, Particle a1)
9980  add_attribute(Representation self, ObjectKey a0, Object a1)
9981  """
9982  return _IMP_atom.Representation_add_attribute(self, *args)
9983 
9984 
9985  def get_value(self, *args):
9986  """
9987  get_value(Representation self, FloatKey a0) -> IMP::Float
9988  get_value(Representation self, IntKey a0) -> IMP::Int
9989  get_value(Representation self, FloatsKey a0) -> IMP::Floats
9990  get_value(Representation self, IntsKey a0) -> IMP::Ints
9991  get_value(Representation self, StringKey a0) -> IMP::String
9992  get_value(Representation self, ParticleIndexKey a0) -> Particle
9993  get_value(Representation self, ObjectKey a0) -> Object
9994  """
9995  return _IMP_atom.Representation_get_value(self, *args)
9996 
9997 
9998  def set_value(self, *args):
9999  """
10000  set_value(Representation self, FloatKey a0, IMP::Float a1)
10001  set_value(Representation self, IntKey a0, IMP::Int a1)
10002  set_value(Representation self, FloatsKey a0, IMP::Floats a1)
10003  set_value(Representation self, IntsKey a0, IMP::Ints a1)
10004  set_value(Representation self, StringKey a0, IMP::String a1)
10005  set_value(Representation self, ParticleIndexKey a0, Particle a1)
10006  set_value(Representation self, ObjectKey a0, Object a1)
10007  """
10008  return _IMP_atom.Representation_set_value(self, *args)
10009 
10010 
10011  def remove_attribute(self, *args):
10012  """
10013  remove_attribute(Representation self, FloatKey a0)
10014  remove_attribute(Representation self, IntKey a0)
10015  remove_attribute(Representation self, FloatsKey a0)
10016  remove_attribute(Representation self, IntsKey a0)
10017  remove_attribute(Representation self, StringKey a0)
10018  remove_attribute(Representation self, ParticleIndexKey a0)
10019  remove_attribute(Representation self, ObjectKey a0)
10020  """
10021  return _IMP_atom.Representation_remove_attribute(self, *args)
10022 
10023 
10024  def has_attribute(self, *args):
10025  """
10026  has_attribute(Representation self, FloatKey a0) -> bool
10027  has_attribute(Representation self, IntKey a0) -> bool
10028  has_attribute(Representation self, FloatsKey a0) -> bool
10029  has_attribute(Representation self, IntsKey a0) -> bool
10030  has_attribute(Representation self, StringKey a0) -> bool
10031  has_attribute(Representation self, ParticleIndexKey a0) -> bool
10032  has_attribute(Representation self, ObjectKey a0) -> bool
10033  """
10034  return _IMP_atom.Representation_has_attribute(self, *args)
10035 
10036 
10037  def get_derivative(self, a0):
10038  """get_derivative(Representation self, FloatKey a0) -> double"""
10039  return _IMP_atom.Representation_get_derivative(self, a0)
10040 
10041 
10042  def get_name(self):
10043  """get_name(Representation self) -> std::string"""
10044  return _IMP_atom.Representation_get_name(self)
10045 
10046 
10047  def clear_caches(self):
10048  """clear_caches(Representation self)"""
10049  return _IMP_atom.Representation_clear_caches(self)
10050 
10051 
10052  def set_name(self, a0):
10053  """set_name(Representation self, std::string a0)"""
10054  return _IMP_atom.Representation_set_name(self, a0)
10055 
10056 
10057  def set_check_level(self, a0):
10058  """set_check_level(Representation self, IMP::CheckLevel a0)"""
10059  return _IMP_atom.Representation_set_check_level(self, a0)
10060 
10061 
10062  def add_to_derivative(self, a0, a1, a2):
10063  """add_to_derivative(Representation self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
10064  return _IMP_atom.Representation_add_to_derivative(self, a0, a1, a2)
10065 
10066 
10067  def set_is_optimized(self, a0, a1):
10068  """set_is_optimized(Representation self, FloatKey a0, bool a1)"""
10069  return _IMP_atom.Representation_set_is_optimized(self, a0, a1)
10070 
10071 
10072  def get_is_optimized(self, a0):
10073  """get_is_optimized(Representation self, FloatKey a0) -> bool"""
10074  return _IMP_atom.Representation_get_is_optimized(self, a0)
10075 
10076 
10077  def get_check_level(self):
10078  """get_check_level(Representation self) -> IMP::CheckLevel"""
10079  return _IMP_atom.Representation_get_check_level(self)
10080 
10081 
10082  def __eq__(self, *args):
10083  """
10084  __eq__(Representation self, Representation o) -> bool
10085  __eq__(Representation self, Particle d) -> bool
10086  """
10087  return _IMP_atom.Representation___eq__(self, *args)
10088 
10089 
10090  def __ne__(self, *args):
10091  """
10092  __ne__(Representation self, Representation o) -> bool
10093  __ne__(Representation self, Particle d) -> bool
10094  """
10095  return _IMP_atom.Representation___ne__(self, *args)
10096 
10097 
10098  def __le__(self, *args):
10099  """
10100  __le__(Representation self, Representation o) -> bool
10101  __le__(Representation self, Particle d) -> bool
10102  """
10103  return _IMP_atom.Representation___le__(self, *args)
10104 
10105 
10106  def __lt__(self, *args):
10107  """
10108  __lt__(Representation self, Representation o) -> bool
10109  __lt__(Representation self, Particle d) -> bool
10110  """
10111  return _IMP_atom.Representation___lt__(self, *args)
10112 
10113 
10114  def __ge__(self, *args):
10115  """
10116  __ge__(Representation self, Representation o) -> bool
10117  __ge__(Representation self, Particle d) -> bool
10118  """
10119  return _IMP_atom.Representation___ge__(self, *args)
10120 
10121 
10122  def __gt__(self, *args):
10123  """
10124  __gt__(Representation self, Representation o) -> bool
10125  __gt__(Representation self, Particle d) -> bool
10126  """
10127  return _IMP_atom.Representation___gt__(self, *args)
10128 
10129 
10130  def __hash__(self):
10131  """__hash__(Representation self) -> std::size_t"""
10132  return _IMP_atom.Representation___hash__(self)
10133 
10134 
10135  def __str__(self):
10136  """__str__(Representation self) -> std::string"""
10137  return _IMP_atom.Representation___str__(self)
10138 
10139 
10140  def __repr__(self):
10141  """__repr__(Representation self) -> std::string"""
10142  return _IMP_atom.Representation___repr__(self)
10143 
10144  __swig_destroy__ = _IMP_atom.delete_Representation
10145  __del__ = lambda self: None
10146 Representation_swigregister = _IMP_atom.Representation_swigregister
10147 Representation_swigregister(Representation)
10148 ALL_RESOLUTIONS = cvar.ALL_RESOLUTIONS
10149 
10150 def Representation_setup_particle(*args):
10151  """
10152  setup_particle(Model m, ParticleIndex pi) -> Representation
10153  setup_particle(_ParticleAdaptor decorator) -> Representation
10154  setup_particle(Model m, ParticleIndex pi, double resolution) -> Representation
10155  setup_particle(_ParticleAdaptor decorator, double resolution) -> Representation
10156  setup_particle(Model m, ParticleIndex pi, Representation other) -> Representation
10157  Representation_setup_particle(_ParticleAdaptor decorator, Representation other) -> Representation
10158  """
10159  return _IMP_atom.Representation_setup_particle(*args)
10160 
10161 def Representation_get_is_setup(*args):
10162  """
10163  get_is_setup(_ParticleAdaptor p) -> bool
10164  Representation_get_is_setup(Model m, ParticleIndex pi) -> bool
10165  """
10166  return _IMP_atom.Representation_get_is_setup(*args)
10167 
10168 
10169 def get_resolution(*args):
10170  """
10171  get_resolution(Model m, ParticleIndex pi) -> double
10172  get_resolution(Hierarchy h) -> double
10173  """
10174  return _IMP_atom.get_resolution(*args)
10175 
10176 def get_representation(h, nothrow=False):
10177  """
10178  get_representation(Hierarchy h, bool nothrow=False) -> Representation
10179  get_representation(Hierarchy h) -> Representation
10180  """
10181  return _IMP_atom.get_representation(h, nothrow)
10182 
10183 def show_with_representations(*args):
10184  """
10185  show_with_representations(Hierarchy h, _ostream out)
10186  show_with_representations(Hierarchy h)
10187  """
10188  return _IMP_atom.show_with_representations(*args)
10189 class State(Hierarchy):
10190  """Proxy of C++ IMP::atom::State class"""
10191  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10192 
10193  def setup_particle(*args):
10194  """
10195  setup_particle(Model m, ParticleIndex pi, unsigned int index) -> State
10196  setup_particle(_ParticleAdaptor decorator, unsigned int index) -> State
10197  setup_particle(Model m, ParticleIndex pi, State other) -> State
10198  setup_particle(_ParticleAdaptor decorator, State other) -> State
10199  """
10200  return _IMP_atom.State_setup_particle(*args)
10201 
10202  setup_particle = staticmethod(setup_particle)
10203 
10204  def __init__(self, *args):
10205  """
10206  __init__(IMP::atom::State self) -> State
10207  __init__(IMP::atom::State self, Model m, ParticleIndex id) -> State
10208  __init__(IMP::atom::State self, _ParticleAdaptor d) -> State
10209  """
10210  this = _IMP_atom.new_State(*args)
10211  try:
10212  self.this.append(this)
10213  except:
10214  self.this = this
10215 
10216  def show(self, *args):
10217  """
10218  show(State self, _ostream out)
10219  show(State self)
10220  """
10221  return _IMP_atom.State_show(self, *args)
10222 
10223 
10224  def get_is_setup(*args):
10225  """
10226  get_is_setup(_ParticleAdaptor p) -> bool
10227  get_is_setup(Model m, ParticleIndex pi) -> bool
10228  """
10229  return _IMP_atom.State_get_is_setup(*args)
10230 
10231  get_is_setup = staticmethod(get_is_setup)
10232 
10233  def get_state_index(self):
10234  """get_state_index(State self) -> unsigned int"""
10235  return _IMP_atom.State_get_state_index(self)
10236 
10237 
10238  def add_attribute(self, *args):
10239  """
10240  add_attribute(State self, FloatKey k, IMP::Float v, bool opt)
10241  add_attribute(State self, FloatKey a0, IMP::Float a1)
10242  add_attribute(State self, IntKey a0, IMP::Int a1)
10243  add_attribute(State self, FloatsKey a0, IMP::Floats a1)
10244  add_attribute(State self, IntsKey a0, IMP::Ints a1)
10245  add_attribute(State self, StringKey a0, IMP::String a1)
10246  add_attribute(State self, ParticleIndexKey a0, Particle a1)
10247  add_attribute(State self, ObjectKey a0, Object a1)
10248  """
10249  return _IMP_atom.State_add_attribute(self, *args)
10250 
10251 
10252  def get_value(self, *args):
10253  """
10254  get_value(State self, FloatKey a0) -> IMP::Float
10255  get_value(State self, IntKey a0) -> IMP::Int
10256  get_value(State self, FloatsKey a0) -> IMP::Floats
10257  get_value(State self, IntsKey a0) -> IMP::Ints
10258  get_value(State self, StringKey a0) -> IMP::String
10259  get_value(State self, ParticleIndexKey a0) -> Particle
10260  get_value(State self, ObjectKey a0) -> Object
10261  """
10262  return _IMP_atom.State_get_value(self, *args)
10263 
10264 
10265  def set_value(self, *args):
10266  """
10267  set_value(State self, FloatKey a0, IMP::Float a1)
10268  set_value(State self, IntKey a0, IMP::Int a1)
10269  set_value(State self, FloatsKey a0, IMP::Floats a1)
10270  set_value(State self, IntsKey a0, IMP::Ints a1)
10271  set_value(State self, StringKey a0, IMP::String a1)
10272  set_value(State self, ParticleIndexKey a0, Particle a1)
10273  set_value(State self, ObjectKey a0, Object a1)
10274  """
10275  return _IMP_atom.State_set_value(self, *args)
10276 
10277 
10278  def remove_attribute(self, *args):
10279  """
10280  remove_attribute(State self, FloatKey a0)
10281  remove_attribute(State self, IntKey a0)
10282  remove_attribute(State self, FloatsKey a0)
10283  remove_attribute(State self, IntsKey a0)
10284  remove_attribute(State self, StringKey a0)
10285  remove_attribute(State self, ParticleIndexKey a0)
10286  remove_attribute(State self, ObjectKey a0)
10287  """
10288  return _IMP_atom.State_remove_attribute(self, *args)
10289 
10290 
10291  def has_attribute(self, *args):
10292  """
10293  has_attribute(State self, FloatKey a0) -> bool
10294  has_attribute(State self, IntKey a0) -> bool
10295  has_attribute(State self, FloatsKey a0) -> bool
10296  has_attribute(State self, IntsKey a0) -> bool
10297  has_attribute(State self, StringKey a0) -> bool
10298  has_attribute(State self, ParticleIndexKey a0) -> bool
10299  has_attribute(State self, ObjectKey a0) -> bool
10300  """
10301  return _IMP_atom.State_has_attribute(self, *args)
10302 
10303 
10304  def get_derivative(self, a0):
10305  """get_derivative(State self, FloatKey a0) -> double"""
10306  return _IMP_atom.State_get_derivative(self, a0)
10307 
10308 
10309  def get_name(self):
10310  """get_name(State self) -> std::string"""
10311  return _IMP_atom.State_get_name(self)
10312 
10313 
10314  def clear_caches(self):
10315  """clear_caches(State self)"""
10316  return _IMP_atom.State_clear_caches(self)
10317 
10318 
10319  def set_name(self, a0):
10320  """set_name(State self, std::string a0)"""
10321  return _IMP_atom.State_set_name(self, a0)
10322 
10323 
10324  def set_check_level(self, a0):
10325  """set_check_level(State self, IMP::CheckLevel a0)"""
10326  return _IMP_atom.State_set_check_level(self, a0)
10327 
10328 
10329  def add_to_derivative(self, a0, a1, a2):
10330  """add_to_derivative(State self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
10331  return _IMP_atom.State_add_to_derivative(self, a0, a1, a2)
10332 
10333 
10334  def set_is_optimized(self, a0, a1):
10335  """set_is_optimized(State self, FloatKey a0, bool a1)"""
10336  return _IMP_atom.State_set_is_optimized(self, a0, a1)
10337 
10338 
10339  def get_is_optimized(self, a0):
10340  """get_is_optimized(State self, FloatKey a0) -> bool"""
10341  return _IMP_atom.State_get_is_optimized(self, a0)
10342 
10343 
10344  def get_check_level(self):
10345  """get_check_level(State self) -> IMP::CheckLevel"""
10346  return _IMP_atom.State_get_check_level(self)
10347 
10348 
10349  def __eq__(self, *args):
10350  """
10351  __eq__(State self, State o) -> bool
10352  __eq__(State self, Particle d) -> bool
10353  """
10354  return _IMP_atom.State___eq__(self, *args)
10355 
10356 
10357  def __ne__(self, *args):
10358  """
10359  __ne__(State self, State o) -> bool
10360  __ne__(State self, Particle d) -> bool
10361  """
10362  return _IMP_atom.State___ne__(self, *args)
10363 
10364 
10365  def __le__(self, *args):
10366  """
10367  __le__(State self, State o) -> bool
10368  __le__(State self, Particle d) -> bool
10369  """
10370  return _IMP_atom.State___le__(self, *args)
10371 
10372 
10373  def __lt__(self, *args):
10374  """
10375  __lt__(State self, State o) -> bool
10376  __lt__(State self, Particle d) -> bool
10377  """
10378  return _IMP_atom.State___lt__(self, *args)
10379 
10380 
10381  def __ge__(self, *args):
10382  """
10383  __ge__(State self, State o) -> bool
10384  __ge__(State self, Particle d) -> bool
10385  """
10386  return _IMP_atom.State___ge__(self, *args)
10387 
10388 
10389  def __gt__(self, *args):
10390  """
10391  __gt__(State self, State o) -> bool
10392  __gt__(State self, Particle d) -> bool
10393  """
10394  return _IMP_atom.State___gt__(self, *args)
10395 
10396 
10397  def __hash__(self):
10398  """__hash__(State self) -> std::size_t"""
10399  return _IMP_atom.State___hash__(self)
10400 
10401 
10402  def __str__(self):
10403  """__str__(State self) -> std::string"""
10404  return _IMP_atom.State___str__(self)
10405 
10406 
10407  def __repr__(self):
10408  """__repr__(State self) -> std::string"""
10409  return _IMP_atom.State___repr__(self)
10410 
10411  __swig_destroy__ = _IMP_atom.delete_State
10412  __del__ = lambda self: None
10413 State_swigregister = _IMP_atom.State_swigregister
10414 State_swigregister(State)
10415 
10416 def State_setup_particle(*args):
10417  """
10418  setup_particle(Model m, ParticleIndex pi, unsigned int index) -> State
10419  setup_particle(_ParticleAdaptor decorator, unsigned int index) -> State
10420  setup_particle(Model m, ParticleIndex pi, State other) -> State
10421  State_setup_particle(_ParticleAdaptor decorator, State other) -> State
10422  """
10423  return _IMP_atom.State_setup_particle(*args)
10424 
10425 def State_get_is_setup(*args):
10426  """
10427  get_is_setup(_ParticleAdaptor p) -> bool
10428  State_get_is_setup(Model m, ParticleIndex pi) -> bool
10429  """
10430  return _IMP_atom.State_get_is_setup(*args)
10431 
10432 
10433 def get_state_index(h):
10434  """get_state_index(Hierarchy h) -> int"""
10435  return _IMP_atom.get_state_index(h)
10436 
10437 def get_phi_dihedral_atoms(rd):
10438  """get_phi_dihedral_atoms(Residue rd) -> IMP::atom::Atoms"""
10439  return _IMP_atom.get_phi_dihedral_atoms(rd)
10440 
10441 def get_psi_dihedral_atoms(rd):
10442  """get_psi_dihedral_atoms(Residue rd) -> IMP::atom::Atoms"""
10443  return _IMP_atom.get_psi_dihedral_atoms(rd)
10444 
10445 def get_omega_dihedral_atoms(rd):
10446  """get_omega_dihedral_atoms(Residue rd) -> IMP::atom::Atoms"""
10447  return _IMP_atom.get_omega_dihedral_atoms(rd)
10448 
10450  """get_chi_dihedral_atom_types(ResidueType rt) -> IMP::Vector< IMP::atom::AtomTypes >"""
10451  return _IMP_atom.get_chi_dihedral_atom_types(rt)
10452 
10453 def get_chi_dihedral_atoms(rd):
10454  """get_chi_dihedral_atoms(Residue rd) -> IMP::Vector< IMP::atom::Atoms >"""
10455  return _IMP_atom.get_chi_dihedral_atoms(rd)
10456 
10458  """get_chi_dihedral_particle_indexes(Residue rd) -> IMP::ParticleIndexQuads"""
10459  return _IMP_atom.get_chi_dihedral_particle_indexes(rd)
10460 class Molecule(Hierarchy):
10461  """Proxy of C++ IMP::atom::Molecule class"""
10462  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10463 
10464  def __init__(self, *args):
10465  """
10466  __init__(IMP::atom::Molecule self) -> Molecule
10467  __init__(IMP::atom::Molecule self, Model m, ParticleIndex id) -> Molecule
10468  __init__(IMP::atom::Molecule self, _ParticleAdaptor d) -> Molecule
10469  """
10470  this = _IMP_atom.new_Molecule(*args)
10471  try:
10472  self.this.append(this)
10473  except:
10474  self.this = this
10475 
10476  def show(self, *args):
10477  """
10478  show(Molecule self, _ostream out)
10479  show(Molecule self)
10480  """
10481  return _IMP_atom.Molecule_show(self, *args)
10482 
10483 
10484  def setup_particle(*args):
10485  """
10486  setup_particle(Model m, ParticleIndex pi) -> Molecule
10487  setup_particle(_ParticleAdaptor decorator) -> Molecule
10488  setup_particle(Model m, ParticleIndex pi, Molecule other) -> Molecule
10489  setup_particle(_ParticleAdaptor decorator, Molecule other) -> Molecule
10490  """
10491  return _IMP_atom.Molecule_setup_particle(*args)
10492 
10493  setup_particle = staticmethod(setup_particle)
10494 
10495  def get_is_setup(*args):
10496  """
10497  get_is_setup(_ParticleAdaptor p) -> bool
10498  get_is_setup(Model m, ParticleIndex pi) -> bool
10499  """
10500  return _IMP_atom.Molecule_get_is_setup(*args)
10501 
10502  get_is_setup = staticmethod(get_is_setup)
10503 
10504  def add_attribute(self, *args):
10505  """
10506  add_attribute(Molecule self, FloatKey k, IMP::Float v, bool opt)
10507  add_attribute(Molecule self, FloatKey a0, IMP::Float a1)
10508  add_attribute(Molecule self, IntKey a0, IMP::Int a1)
10509  add_attribute(Molecule self, FloatsKey a0, IMP::Floats a1)
10510  add_attribute(Molecule self, IntsKey a0, IMP::Ints a1)
10511  add_attribute(Molecule self, StringKey a0, IMP::String a1)
10512  add_attribute(Molecule self, ParticleIndexKey a0, Particle a1)
10513  add_attribute(Molecule self, ObjectKey a0, Object a1)
10514  """
10515  return _IMP_atom.Molecule_add_attribute(self, *args)
10516 
10517 
10518  def get_value(self, *args):
10519  """
10520  get_value(Molecule self, FloatKey a0) -> IMP::Float
10521  get_value(Molecule self, IntKey a0) -> IMP::Int
10522  get_value(Molecule self, FloatsKey a0) -> IMP::Floats
10523  get_value(Molecule self, IntsKey a0) -> IMP::Ints
10524  get_value(Molecule self, StringKey a0) -> IMP::String
10525  get_value(Molecule self, ParticleIndexKey a0) -> Particle
10526  get_value(Molecule self, ObjectKey a0) -> Object
10527  """
10528  return _IMP_atom.Molecule_get_value(self, *args)
10529 
10530 
10531  def set_value(self, *args):
10532  """
10533  set_value(Molecule self, FloatKey a0, IMP::Float a1)
10534  set_value(Molecule self, IntKey a0, IMP::Int a1)
10535  set_value(Molecule self, FloatsKey a0, IMP::Floats a1)
10536  set_value(Molecule self, IntsKey a0, IMP::Ints a1)
10537  set_value(Molecule self, StringKey a0, IMP::String a1)
10538  set_value(Molecule self, ParticleIndexKey a0, Particle a1)
10539  set_value(Molecule self, ObjectKey a0, Object a1)
10540  """
10541  return _IMP_atom.Molecule_set_value(self, *args)
10542 
10543 
10544  def remove_attribute(self, *args):
10545  """
10546  remove_attribute(Molecule self, FloatKey a0)
10547  remove_attribute(Molecule self, IntKey a0)
10548  remove_attribute(Molecule self, FloatsKey a0)
10549  remove_attribute(Molecule self, IntsKey a0)
10550  remove_attribute(Molecule self, StringKey a0)
10551  remove_attribute(Molecule self, ParticleIndexKey a0)
10552  remove_attribute(Molecule self, ObjectKey a0)
10553  """
10554  return _IMP_atom.Molecule_remove_attribute(self, *args)
10555 
10556 
10557  def has_attribute(self, *args):
10558  """
10559  has_attribute(Molecule self, FloatKey a0) -> bool
10560  has_attribute(Molecule self, IntKey a0) -> bool
10561  has_attribute(Molecule self, FloatsKey a0) -> bool
10562  has_attribute(Molecule self, IntsKey a0) -> bool
10563  has_attribute(Molecule self, StringKey a0) -> bool
10564  has_attribute(Molecule self, ParticleIndexKey a0) -> bool
10565  has_attribute(Molecule self, ObjectKey a0) -> bool
10566  """
10567  return _IMP_atom.Molecule_has_attribute(self, *args)
10568 
10569 
10570  def get_derivative(self, a0):
10571  """get_derivative(Molecule self, FloatKey a0) -> double"""
10572  return _IMP_atom.Molecule_get_derivative(self, a0)
10573 
10574 
10575  def get_name(self):
10576  """get_name(Molecule self) -> std::string"""
10577  return _IMP_atom.Molecule_get_name(self)
10578 
10579 
10580  def clear_caches(self):
10581  """clear_caches(Molecule self)"""
10582  return _IMP_atom.Molecule_clear_caches(self)
10583 
10584 
10585  def set_name(self, a0):
10586  """set_name(Molecule self, std::string a0)"""
10587  return _IMP_atom.Molecule_set_name(self, a0)
10588 
10589 
10590  def set_check_level(self, a0):
10591  """set_check_level(Molecule self, IMP::CheckLevel a0)"""
10592  return _IMP_atom.Molecule_set_check_level(self, a0)
10593 
10594 
10595  def add_to_derivative(self, a0, a1, a2):
10596  """add_to_derivative(Molecule self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
10597  return _IMP_atom.Molecule_add_to_derivative(self, a0, a1, a2)
10598 
10599 
10600  def set_is_optimized(self, a0, a1):
10601  """set_is_optimized(Molecule self, FloatKey a0, bool a1)"""
10602  return _IMP_atom.Molecule_set_is_optimized(self, a0, a1)
10603 
10604 
10605  def get_is_optimized(self, a0):
10606  """get_is_optimized(Molecule self, FloatKey a0) -> bool"""
10607  return _IMP_atom.Molecule_get_is_optimized(self, a0)
10608 
10609 
10610  def get_check_level(self):
10611  """get_check_level(Molecule self) -> IMP::CheckLevel"""
10612  return _IMP_atom.Molecule_get_check_level(self)
10613 
10614 
10615  def __eq__(self, *args):
10616  """
10617  __eq__(Molecule self, Molecule o) -> bool
10618  __eq__(Molecule self, Particle d) -> bool
10619  """
10620  return _IMP_atom.Molecule___eq__(self, *args)
10621 
10622 
10623  def __ne__(self, *args):
10624  """
10625  __ne__(Molecule self, Molecule o) -> bool
10626  __ne__(Molecule self, Particle d) -> bool
10627  """
10628  return _IMP_atom.Molecule___ne__(self, *args)
10629 
10630 
10631  def __le__(self, *args):
10632  """
10633  __le__(Molecule self, Molecule o) -> bool
10634  __le__(Molecule self, Particle d) -> bool
10635  """
10636  return _IMP_atom.Molecule___le__(self, *args)
10637 
10638 
10639  def __lt__(self, *args):
10640  """
10641  __lt__(Molecule self, Molecule o) -> bool
10642  __lt__(Molecule self, Particle d) -> bool
10643  """
10644  return _IMP_atom.Molecule___lt__(self, *args)
10645 
10646 
10647  def __ge__(self, *args):
10648  """
10649  __ge__(Molecule self, Molecule o) -> bool
10650  __ge__(Molecule self, Particle d) -> bool
10651  """
10652  return _IMP_atom.Molecule___ge__(self, *args)
10653 
10654 
10655  def __gt__(self, *args):
10656  """
10657  __gt__(Molecule self, Molecule o) -> bool
10658  __gt__(Molecule self, Particle d) -> bool
10659  """
10660  return _IMP_atom.Molecule___gt__(self, *args)
10661 
10662 
10663  def __hash__(self):
10664  """__hash__(Molecule self) -> std::size_t"""
10665  return _IMP_atom.Molecule___hash__(self)
10666 
10667 
10668  def __str__(self):
10669  """__str__(Molecule self) -> std::string"""
10670  return _IMP_atom.Molecule___str__(self)
10671 
10672 
10673  def __repr__(self):
10674  """__repr__(Molecule self) -> std::string"""
10675  return _IMP_atom.Molecule___repr__(self)
10676 
10677  __swig_destroy__ = _IMP_atom.delete_Molecule
10678  __del__ = lambda self: None
10679 Molecule_swigregister = _IMP_atom.Molecule_swigregister
10680 Molecule_swigregister(Molecule)
10681 
10682 def Molecule_setup_particle(*args):
10683  """
10684  setup_particle(Model m, ParticleIndex pi) -> Molecule
10685  setup_particle(_ParticleAdaptor decorator) -> Molecule
10686  setup_particle(Model m, ParticleIndex pi, Molecule other) -> Molecule
10687  Molecule_setup_particle(_ParticleAdaptor decorator, Molecule other) -> Molecule
10688  """
10689  return _IMP_atom.Molecule_setup_particle(*args)
10690 
10691 def Molecule_get_is_setup(*args):
10692  """
10693  get_is_setup(_ParticleAdaptor p) -> bool
10694  Molecule_get_is_setup(Model m, ParticleIndex pi) -> bool
10695  """
10696  return _IMP_atom.Molecule_get_is_setup(*args)
10697 
10698 
10699 def get_molecule_name(h):
10700  """get_molecule_name(Hierarchy h) -> std::string"""
10701  return _IMP_atom.get_molecule_name(h)
10702 class Copy(Molecule):
10703  """Proxy of C++ IMP::atom::Copy class"""
10704  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10705 
10706  def get_copy_index_key():
10707  """get_copy_index_key() -> IntKey"""
10708  return _IMP_atom.Copy_get_copy_index_key()
10709 
10710  get_copy_index_key = staticmethod(get_copy_index_key)
10711 
10712  def __init__(self, *args):
10713  """
10714  __init__(IMP::atom::Copy self) -> Copy
10715  __init__(IMP::atom::Copy self, Model m, ParticleIndex id) -> Copy
10716  __init__(IMP::atom::Copy self, _ParticleAdaptor d) -> Copy
10717  """
10718  this = _IMP_atom.new_Copy(*args)
10719  try:
10720  self.this.append(this)
10721  except:
10722  self.this = this
10723 
10724  def show(self, *args):
10725  """
10726  show(Copy self, _ostream out)
10727  show(Copy self)
10728  """
10729  return _IMP_atom.Copy_show(self, *args)
10730 
10731 
10732  def setup_particle(*args):
10733  """
10734  setup_particle(Model m, ParticleIndex pi, IMP::Int number) -> Copy
10735  setup_particle(_ParticleAdaptor decorator, IMP::Int number) -> Copy
10736  """
10737  return _IMP_atom.Copy_setup_particle(*args)
10738 
10739  setup_particle = staticmethod(setup_particle)
10740 
10741  def get_is_setup(*args):
10742  """
10743  get_is_setup(_ParticleAdaptor p) -> bool
10744  get_is_setup(Model m, ParticleIndex pi) -> bool
10745  """
10746  return _IMP_atom.Copy_get_is_setup(*args)
10747 
10748  get_is_setup = staticmethod(get_is_setup)
10749 
10750  def get_copy_index(self):
10751  """get_copy_index(Copy self) -> int"""
10752  return _IMP_atom.Copy_get_copy_index(self)
10753 
10754 
10755  def add_attribute(self, *args):
10756  """
10757  add_attribute(Copy self, FloatKey k, IMP::Float v, bool opt)
10758  add_attribute(Copy self, FloatKey a0, IMP::Float a1)
10759  add_attribute(Copy self, IntKey a0, IMP::Int a1)
10760  add_attribute(Copy self, FloatsKey a0, IMP::Floats a1)
10761  add_attribute(Copy self, IntsKey a0, IMP::Ints a1)
10762  add_attribute(Copy self, StringKey a0, IMP::String a1)
10763  add_attribute(Copy self, ParticleIndexKey a0, Particle a1)
10764  add_attribute(Copy self, ObjectKey a0, Object a1)
10765  """
10766  return _IMP_atom.Copy_add_attribute(self, *args)
10767 
10768 
10769  def get_value(self, *args):
10770  """
10771  get_value(Copy self, FloatKey a0) -> IMP::Float
10772  get_value(Copy self, IntKey a0) -> IMP::Int
10773  get_value(Copy self, FloatsKey a0) -> IMP::Floats
10774  get_value(Copy self, IntsKey a0) -> IMP::Ints
10775  get_value(Copy self, StringKey a0) -> IMP::String
10776  get_value(Copy self, ParticleIndexKey a0) -> Particle
10777  get_value(Copy self, ObjectKey a0) -> Object
10778  """
10779  return _IMP_atom.Copy_get_value(self, *args)
10780 
10781 
10782  def set_value(self, *args):
10783  """
10784  set_value(Copy self, FloatKey a0, IMP::Float a1)
10785  set_value(Copy self, IntKey a0, IMP::Int a1)
10786  set_value(Copy self, FloatsKey a0, IMP::Floats a1)
10787  set_value(Copy self, IntsKey a0, IMP::Ints a1)
10788  set_value(Copy self, StringKey a0, IMP::String a1)
10789  set_value(Copy self, ParticleIndexKey a0, Particle a1)
10790  set_value(Copy self, ObjectKey a0, Object a1)
10791  """
10792  return _IMP_atom.Copy_set_value(self, *args)
10793 
10794 
10795  def remove_attribute(self, *args):
10796  """
10797  remove_attribute(Copy self, FloatKey a0)
10798  remove_attribute(Copy self, IntKey a0)
10799  remove_attribute(Copy self, FloatsKey a0)
10800  remove_attribute(Copy self, IntsKey a0)
10801  remove_attribute(Copy self, StringKey a0)
10802  remove_attribute(Copy self, ParticleIndexKey a0)
10803  remove_attribute(Copy self, ObjectKey a0)
10804  """
10805  return _IMP_atom.Copy_remove_attribute(self, *args)
10806 
10807 
10808  def has_attribute(self, *args):
10809  """
10810  has_attribute(Copy self, FloatKey a0) -> bool
10811  has_attribute(Copy self, IntKey a0) -> bool
10812  has_attribute(Copy self, FloatsKey a0) -> bool
10813  has_attribute(Copy self, IntsKey a0) -> bool
10814  has_attribute(Copy self, StringKey a0) -> bool
10815  has_attribute(Copy self, ParticleIndexKey a0) -> bool
10816  has_attribute(Copy self, ObjectKey a0) -> bool
10817  """
10818  return _IMP_atom.Copy_has_attribute(self, *args)
10819 
10820 
10821  def get_derivative(self, a0):
10822  """get_derivative(Copy self, FloatKey a0) -> double"""
10823  return _IMP_atom.Copy_get_derivative(self, a0)
10824 
10825 
10826  def get_name(self):
10827  """get_name(Copy self) -> std::string"""
10828  return _IMP_atom.Copy_get_name(self)
10829 
10830 
10831  def clear_caches(self):
10832  """clear_caches(Copy self)"""
10833  return _IMP_atom.Copy_clear_caches(self)
10834 
10835 
10836  def set_name(self, a0):
10837  """set_name(Copy self, std::string a0)"""
10838  return _IMP_atom.Copy_set_name(self, a0)
10839 
10840 
10841  def set_check_level(self, a0):
10842  """set_check_level(Copy self, IMP::CheckLevel a0)"""
10843  return _IMP_atom.Copy_set_check_level(self, a0)
10844 
10845 
10846  def add_to_derivative(self, a0, a1, a2):
10847  """add_to_derivative(Copy self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
10848  return _IMP_atom.Copy_add_to_derivative(self, a0, a1, a2)
10849 
10850 
10851  def set_is_optimized(self, a0, a1):
10852  """set_is_optimized(Copy self, FloatKey a0, bool a1)"""
10853  return _IMP_atom.Copy_set_is_optimized(self, a0, a1)
10854 
10855 
10856  def get_is_optimized(self, a0):
10857  """get_is_optimized(Copy self, FloatKey a0) -> bool"""
10858  return _IMP_atom.Copy_get_is_optimized(self, a0)
10859 
10860 
10861  def get_check_level(self):
10862  """get_check_level(Copy self) -> IMP::CheckLevel"""
10863  return _IMP_atom.Copy_get_check_level(self)
10864 
10865 
10866  def __eq__(self, *args):
10867  """
10868  __eq__(Copy self, Copy o) -> bool
10869  __eq__(Copy self, Particle d) -> bool
10870  """
10871  return _IMP_atom.Copy___eq__(self, *args)
10872 
10873 
10874  def __ne__(self, *args):
10875  """
10876  __ne__(Copy self, Copy o) -> bool
10877  __ne__(Copy self, Particle d) -> bool
10878  """
10879  return _IMP_atom.Copy___ne__(self, *args)
10880 
10881 
10882  def __le__(self, *args):
10883  """
10884  __le__(Copy self, Copy o) -> bool
10885  __le__(Copy self, Particle d) -> bool
10886  """
10887  return _IMP_atom.Copy___le__(self, *args)
10888 
10889 
10890  def __lt__(self, *args):
10891  """
10892  __lt__(Copy self, Copy o) -> bool
10893  __lt__(Copy self, Particle d) -> bool
10894  """
10895  return _IMP_atom.Copy___lt__(self, *args)
10896 
10897 
10898  def __ge__(self, *args):
10899  """
10900  __ge__(Copy self, Copy o) -> bool
10901  __ge__(Copy self, Particle d) -> bool
10902  """
10903  return _IMP_atom.Copy___ge__(self, *args)
10904 
10905 
10906  def __gt__(self, *args):
10907  """
10908  __gt__(Copy self, Copy o) -> bool
10909  __gt__(Copy self, Particle d) -> bool
10910  """
10911  return _IMP_atom.Copy___gt__(self, *args)
10912 
10913 
10914  def __hash__(self):
10915  """__hash__(Copy self) -> std::size_t"""
10916  return _IMP_atom.Copy___hash__(self)
10917 
10918 
10919  def __str__(self):
10920  """__str__(Copy self) -> std::string"""
10921  return _IMP_atom.Copy___str__(self)
10922 
10923 
10924  def __repr__(self):
10925  """__repr__(Copy self) -> std::string"""
10926  return _IMP_atom.Copy___repr__(self)
10927 
10928  __swig_destroy__ = _IMP_atom.delete_Copy
10929  __del__ = lambda self: None
10930 Copy_swigregister = _IMP_atom.Copy_swigregister
10931 Copy_swigregister(Copy)
10932 
10933 def Copy_get_copy_index_key():
10934  """Copy_get_copy_index_key() -> IntKey"""
10935  return _IMP_atom.Copy_get_copy_index_key()
10936 
10937 def Copy_setup_particle(*args):
10938  """
10939  setup_particle(Model m, ParticleIndex pi, IMP::Int number) -> Copy
10940  Copy_setup_particle(_ParticleAdaptor decorator, IMP::Int number) -> Copy
10941  """
10942  return _IMP_atom.Copy_setup_particle(*args)
10943 
10944 def Copy_get_is_setup(*args):
10945  """
10946  get_is_setup(_ParticleAdaptor p) -> bool
10947  Copy_get_is_setup(Model m, ParticleIndex pi) -> bool
10948  """
10949  return _IMP_atom.Copy_get_is_setup(*args)
10950 
10951 
10952 def get_copy_index(h):
10953  """get_copy_index(Hierarchy h) -> int"""
10954  return _IMP_atom.get_copy_index(h)
10955 class Selection(IMP._ParticleIndexesAdaptor):
10956  """Proxy of C++ IMP::atom::Selection class"""
10957  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10958  NONE = _IMP_atom.Selection_NONE
10959  C = _IMP_atom.Selection_C
10960  N = _IMP_atom.Selection_N
10961 
10962  def __init__(self, *args):
10963  """
10964  __init__(IMP::atom::Selection self) -> Selection
10965  __init__(IMP::atom::Selection self, Hierarchy h) -> Selection
10966  __init__(IMP::atom::Selection self, Particle h) -> Selection
10967  __init__(IMP::atom::Selection self, Model m, IMP::ParticleIndexes const & pis) -> Selection
10968  __init__(IMP::atom::Selection self, IMP::ParticlesTemp const & h) -> Selection
10969  """
10970  this = _IMP_atom.new_Selection(*args)
10971  try:
10972  self.this.append(this)
10973  except:
10974  self.this = this
10975 
10976  def create_clone(self):
10977  """create_clone(Selection self) -> Selection"""
10978  return _IMP_atom.Selection_create_clone(self)
10979 
10980 
10981  def get_hierarchies(self):
10982  """get_hierarchies(Selection self) -> IMP::atom::Hierarchies"""
10983  return _IMP_atom.Selection_get_hierarchies(self)
10984 
10985 
10986  def set_molecules(self, mols):
10987  """set_molecules(Selection self, IMP::Strings mols)"""
10988  return _IMP_atom.Selection_set_molecules(self, mols)
10989 
10990 
10991  def set_resolution(self, r):
10992  """set_resolution(Selection self, double r)"""
10993  return _IMP_atom.Selection_set_resolution(self, r)
10994 
10995 
10996  def set_representation_type(self, t):
10997  """set_representation_type(Selection self, IMP::atom::RepresentationType t)"""
10998  return _IMP_atom.Selection_set_representation_type(self, t)
10999 
11000 
11001  def set_state_index(self, state):
11002  """set_state_index(Selection self, int state)"""
11003  return _IMP_atom.Selection_set_state_index(self, state)
11004 
11005 
11006  def set_state_indexes(self, states):
11007  """set_state_indexes(Selection self, IMP::Ints states)"""
11008  return _IMP_atom.Selection_set_state_indexes(self, states)
11009 
11010 
11011  def set_terminus(self, t):
11012  """set_terminus(Selection self, IMP::atom::Selection::Terminus t)"""
11013  return _IMP_atom.Selection_set_terminus(self, t)
11014 
11015 
11016  def set_element(self, e):
11017  """set_element(Selection self, IMP::atom::Element e)"""
11018  return _IMP_atom.Selection_set_element(self, e)
11019 
11020 
11021  def set_chain_ids(self, chains):
11022  """set_chain_ids(Selection self, IMP::Strings chains)"""
11023  return _IMP_atom.Selection_set_chain_ids(self, chains)
11024 
11025 
11026  def set_chains(self, chains):
11027  """set_chains(Selection self, IMP::Strings chains)"""
11028  return _IMP_atom.Selection_set_chains(self, chains)
11029 
11030 
11031  def set_residue_indexes(self, indexes):
11032  """set_residue_indexes(Selection self, IMP::Ints indexes)"""
11033  return _IMP_atom.Selection_set_residue_indexes(self, indexes)
11034 
11035 
11036  def set_atom_types(self, types):
11037  """set_atom_types(Selection self, IMP::atom::AtomTypes types)"""
11038  return _IMP_atom.Selection_set_atom_types(self, types)
11039 
11040 
11041  def set_residue_types(self, types):
11042  """set_residue_types(Selection self, IMP::atom::ResidueTypes types)"""
11043  return _IMP_atom.Selection_set_residue_types(self, types)
11044 
11045 
11046  def set_domains(self, names):
11047  """set_domains(Selection self, IMP::Strings names)"""
11048  return _IMP_atom.Selection_set_domains(self, names)
11049 
11050 
11051  def set_molecule(self, mol):
11052  """set_molecule(Selection self, std::string mol)"""
11053  return _IMP_atom.Selection_set_molecule(self, mol)
11054 
11055 
11056  def set_chain_id(self, c):
11057  """set_chain_id(Selection self, std::string c)"""
11058  return _IMP_atom.Selection_set_chain_id(self, c)
11059 
11060 
11061  def set_chain(self, c):
11062  """set_chain(Selection self, std::string c)"""
11063  return _IMP_atom.Selection_set_chain(self, c)
11064 
11065 
11066  def set_residue_index(self, i):
11067  """set_residue_index(Selection self, int i)"""
11068  return _IMP_atom.Selection_set_residue_index(self, i)
11069 
11070 
11071  def set_atom_type(self, types):
11072  """set_atom_type(Selection self, AtomType types)"""
11073  return _IMP_atom.Selection_set_atom_type(self, types)
11074 
11075 
11076  def set_residue_type(self, type):
11077  """set_residue_type(Selection self, ResidueType type)"""
11078  return _IMP_atom.Selection_set_residue_type(self, type)
11079 
11080 
11081  def set_domain(self, name):
11082  """set_domain(Selection self, std::string name)"""
11083  return _IMP_atom.Selection_set_domain(self, name)
11084 
11085 
11086  def set_copy_index(self, copy):
11087  """set_copy_index(Selection self, unsigned int copy)"""
11088  return _IMP_atom.Selection_set_copy_index(self, copy)
11089 
11090 
11091  def set_copy_indexes(self, copies):
11092  """set_copy_indexes(Selection self, IMP::Ints copies)"""
11093  return _IMP_atom.Selection_set_copy_indexes(self, copies)
11094 
11095 
11096  def set_particle_type(self, t):
11097  """set_particle_type(Selection self, ParticleType t)"""
11098  return _IMP_atom.Selection_set_particle_type(self, t)
11099 
11100 
11101  def set_particle_types(self, t):
11102  """set_particle_types(Selection self, IMP::core::ParticleTypes t)"""
11103  return _IMP_atom.Selection_set_particle_types(self, t)
11104 
11105 
11106  def set_hierarchy_types(self, types):
11107  """set_hierarchy_types(Selection self, IMP::Ints types)"""
11108  return _IMP_atom.Selection_set_hierarchy_types(self, types)
11109 
11110 
11111  def set_intersection(self, s):
11112  """set_intersection(Selection self, Selection s)"""
11113  return _IMP_atom.Selection_set_intersection(self, s)
11114 
11115 
11116  def set_union(self, s):
11117  """set_union(Selection self, Selection s)"""
11118  return _IMP_atom.Selection_set_union(self, s)
11119 
11120 
11121  def set_symmetric_difference(self, s):
11122  """set_symmetric_difference(Selection self, Selection s)"""
11123  return _IMP_atom.Selection_set_symmetric_difference(self, s)
11124 
11125 
11126  def set_difference(self, s):
11127  """set_difference(Selection self, Selection s)"""
11128  return _IMP_atom.Selection_set_difference(self, s)
11129 
11130 
11131  def get_selected_particles(self, with_representation=True):
11132  """
11133  get_selected_particles(Selection self, bool with_representation=True) -> IMP::ParticlesTemp
11134  get_selected_particles(Selection self) -> IMP::ParticlesTemp
11135  """
11136  return _IMP_atom.Selection_get_selected_particles(self, with_representation)
11137 
11138 
11139  def get_selected_particle_indexes(self, with_representation=True):
11140  """
11141  get_selected_particle_indexes(Selection self, bool with_representation=True) -> IMP::ParticleIndexes
11142  get_selected_particle_indexes(Selection self) -> IMP::ParticleIndexes
11143  """
11144  return _IMP_atom.Selection_get_selected_particle_indexes(self, with_representation)
11145 
11146 
11147  def show(self, *args):
11148  """
11149  show(Selection self, _ostream out)
11150  show(Selection self)
11151  """
11152  return _IMP_atom.Selection_show(self, *args)
11153 
11154 
11155  def __str__(self):
11156  """__str__(Selection self) -> std::string"""
11157  return _IMP_atom.Selection___str__(self)
11158 
11159 
11160  def __repr__(self):
11161  """__repr__(Selection self) -> std::string"""
11162  return _IMP_atom.Selection___repr__(self)
11163 
11164 
11165  def __init__(self, hierarchy=None,
11166  hierarchies=None, **params):
11167  if hierarchy and hierarchies:
11168  raise RuntimeError("You can't pass both hierarchy and hierarchies to Selection")
11169  if hierarchy:
11170  this = _IMP_atom.new_Selection(hierarchy)
11171  try: self.this.append(this)
11172  except: self.this = this
11173  elif hierarchies:
11174  this = _IMP_atom.new_Selection(hierarchies)
11175  try: self.this.append(this)
11176  except: self.this = this
11177  else:
11178  raise ValueError("Either hierarchy or hierarchies must be provided.")
11179  for k in params.keys():
11180  eval("self.set_%s(params[k])"%k)
11181 
11182  def union(self, s):
11183  news = self.create_clone()
11184  news.union_update(s)
11185  return news
11186  def intersection(self, s):
11187  news = self.create_clone()
11188  news.intersection_update(s)
11189  return news
11190  def symmetric_difference(self, s):
11191  news = self.create_clone()
11192  news.symmetric_difference_update(s)
11193  return news
11194  def difference(self, s):
11195  news = self.create_clone()
11196  news.difference_update(s)
11197  return news
11198  def union_update(self, s):
11199  self.set_union(s)
11200  return self
11201  def intersection_update(self, s):
11202  self.set_intersection(s)
11203  return self
11204  def symmetric_difference_update(self, s):
11205  self.set_symmetric_difference(s)
11206  return self
11207  def difference_update(self, s):
11208  self.set_difference(s)
11209  return self
11210  __or__ = union
11211  __and__ = intersection
11212  __xor__ = symmetric_difference
11213  __sub__ = difference
11214  __ior__ = union_update
11215  __iand__ = intersection_update
11216  __ixor__ = symmetric_difference_update
11217  __isub__ = difference_update
11218 
11219  __swig_destroy__ = _IMP_atom.delete_Selection
11220  __del__ = lambda self: None
11221 Selection_swigregister = _IMP_atom.Selection_swigregister
11222 Selection_swigregister(Selection)
11223 
11224 
11225 def create_distance_restraint(*args):
11226  """
11227  create_distance_restraint(Selection n0, Selection n1, double x0, double k, std::string name) -> Restraint
11228  create_distance_restraint(Selection n0, Selection n1, double x0, double k) -> Restraint
11229  """
11230  return _IMP_atom.create_distance_restraint(*args)
11231 
11233  """
11234  create_connectivity_restraint(IMP::atom::Selections const & s, double k, std::string name) -> Restraint
11235  create_connectivity_restraint(IMP::atom::Selections const & s, double k) -> Restraint
11236  create_connectivity_restraint(IMP::atom::Selections const & s, double x0, double k, std::string name) -> Restraint
11237  create_connectivity_restraint(IMP::atom::Selections const & s, double x0, double k) -> Restraint
11238  """
11239  return _IMP_atom.create_connectivity_restraint(*args)
11240 
11242  """
11243  create_internal_connectivity_restraint(Selection s, double k, std::string name) -> Restraint
11244  create_internal_connectivity_restraint(Selection s, double k) -> Restraint
11245  create_internal_connectivity_restraint(Selection s, double x0, double k, std::string name) -> Restraint
11246  create_internal_connectivity_restraint(Selection s, double x0, double k) -> Restraint
11247  """
11248  return _IMP_atom.create_internal_connectivity_restraint(*args)
11249 
11250 def create_cover(*args):
11251  """
11252  create_cover(Selection s, std::string name) -> XYZR
11253  create_cover(Selection s) -> XYZR
11254  """
11255  return _IMP_atom.create_cover(*args)
11256 
11257 def get_mass(*args):
11258  """
11259  get_mass(ResidueType c) -> double
11260  get_mass(Selection s) -> double
11261  """
11262  return _IMP_atom.get_mass(*args)
11263 
11264 def get_volume(s):
11265  """get_volume(Selection s) -> double"""
11266  return _IMP_atom.get_volume(s)
11267 
11268 def get_surface_area(s):
11269  """get_surface_area(Selection s) -> double"""
11270  return _IMP_atom.get_surface_area(s)
11271 
11272 def get_leaves(*args):
11273  """
11274  get_leaves(Hierarchy h) -> IMP::atom::Hierarchies
11275  get_leaves(IMP::atom::Hierarchies const & h) -> IMP::atom::Hierarchies
11276  get_leaves(Selection h) -> IMP::atom::Hierarchies
11277  """
11278  return _IMP_atom.get_leaves(*args)
11279 class SelectionGeometry(IMP.display.Geometry):
11280  """Proxy of C++ IMP::atom::SelectionGeometry class"""
11281  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11282 
11283  def __init__(self, *args):
11284  """
11285  __init__(IMP::atom::SelectionGeometry self, Selection d, std::string name) -> SelectionGeometry
11286  __init__(IMP::atom::SelectionGeometry self, Selection d) -> SelectionGeometry
11287  """
11288  this = _IMP_atom.new_SelectionGeometry(*args)
11289  try:
11290  self.this.append(this)
11291  except:
11292  self.this = this
11293 
11294  def get_version_info(self):
11295  """get_version_info(SelectionGeometry self) -> VersionInfo"""
11296  return _IMP_atom.SelectionGeometry_get_version_info(self)
11297 
11298 
11299  def __str__(self):
11300  """__str__(SelectionGeometry self) -> std::string"""
11301  return _IMP_atom.SelectionGeometry___str__(self)
11302 
11303 
11304  def __repr__(self):
11305  """__repr__(SelectionGeometry self) -> std::string"""
11306  return _IMP_atom.SelectionGeometry___repr__(self)
11307 
11308 
11309  @staticmethod
11310  def get_from(o):
11311  return _object_cast_to_SelectionGeometry(o)
11312 
11313 SelectionGeometry_swigregister = _IMP_atom.SelectionGeometry_swigregister
11314 SelectionGeometry_swigregister(SelectionGeometry)
11315 
11316 
11317 def get_rmsd(*args):
11318  """
11319  get_rmsd(IMP::core::XYZs const & s0, IMP::core::XYZs const & s1) -> double
11320  get_rmsd(Selection s0, Selection s1) -> double
11321  """
11322  return _IMP_atom.get_rmsd(*args)
11323 
11324 def get_rmsd_transforming_first(*args):
11325  """
11326  get_rmsd_transforming_first(Transformation3D tr, IMP::core::XYZs const & s0, IMP::core::XYZs const & s1) -> double
11327  get_rmsd_transforming_first(Transformation3D tr, Selection s0, Selection s1) -> double
11328  """
11329  return _IMP_atom.get_rmsd_transforming_first(*args)
11330 
11331 def get_placement_score(source, target):
11332  """get_placement_score(IMP::core::XYZs const & source, IMP::core::XYZs const & target) -> IMP::FloatPair"""
11333  return _IMP_atom.get_placement_score(source, target)
11334 
11335 def get_component_placement_score(ref1, ref2, mdl1, mdl2):
11336  """get_component_placement_score(IMP::core::XYZs const & ref1, IMP::core::XYZs const & ref2, IMP::core::XYZs const & mdl1, IMP::core::XYZs const & mdl2) -> IMP::FloatPair"""
11337  return _IMP_atom.get_component_placement_score(ref1, ref2, mdl1, mdl2)
11338 
11339 def get_pairwise_rmsd_score(ref1, ref2, mdl1, mdl2):
11340  """get_pairwise_rmsd_score(IMP::core::XYZs const & ref1, IMP::core::XYZs const & ref2, IMP::core::XYZs const & mdl1, IMP::core::XYZs const & mdl2) -> double"""
11341  return _IMP_atom.get_pairwise_rmsd_score(ref1, ref2, mdl1, mdl2)
11342 
11343 def get_radius_of_gyration(*args):
11344  """
11345  get_radius_of_gyration(Selection s) -> double
11346  get_radius_of_gyration(IMP::ParticlesTemp const & ps, bool weighted=True) -> double
11347  get_radius_of_gyration(IMP::ParticlesTemp const & ps) -> double
11348  """
11349  return _IMP_atom.get_radius_of_gyration(*args)
11350 class ForceFieldParameters(IMP.Object):
11351  """Proxy of C++ IMP::atom::ForceFieldParameters class"""
11352  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11353 
11354  def __init__(self):
11355  """__init__(IMP::atom::ForceFieldParameters self) -> ForceFieldParameters"""
11356  this = _IMP_atom.new_ForceFieldParameters()
11357  try:
11358  self.this.append(this)
11359  except:
11360  self.this = this
11361 
11362  def get_radius(self, atom):
11363  """get_radius(ForceFieldParameters self, Atom atom) -> IMP::Float"""
11364  return _IMP_atom.ForceFieldParameters_get_radius(self, atom)
11365 
11366 
11367  def get_epsilon(self, atom):
11368  """get_epsilon(ForceFieldParameters self, Atom atom) -> IMP::Float"""
11369  return _IMP_atom.ForceFieldParameters_get_epsilon(self, atom)
11370 
11371 
11372  def add_radii(self, *args):
11373  """
11374  add_radii(ForceFieldParameters self, Hierarchy mhd, double scale=1.0, FloatKey radius_key)
11375  add_radii(ForceFieldParameters self, Hierarchy mhd, double scale=1.0)
11376  add_radii(ForceFieldParameters self, Hierarchy mhd)
11377  """
11378  return _IMP_atom.ForceFieldParameters_add_radii(self, *args)
11379 
11380 
11381  def add_well_depths(self, mhd):
11382  """add_well_depths(ForceFieldParameters self, Hierarchy mhd)"""
11383  return _IMP_atom.ForceFieldParameters_add_well_depths(self, mhd)
11384 
11385 
11386  def add_bonds(self, mhd):
11387  """add_bonds(ForceFieldParameters self, Hierarchy mhd)"""
11388  return _IMP_atom.ForceFieldParameters_add_bonds(self, mhd)
11389 
11390  __swig_destroy__ = _IMP_atom.delete_ForceFieldParameters
11391  __del__ = lambda self: None
11392 
11393  def __str__(self):
11394  """__str__(ForceFieldParameters self) -> std::string"""
11395  return _IMP_atom.ForceFieldParameters___str__(self)
11396 
11397 
11398  def __repr__(self):
11399  """__repr__(ForceFieldParameters self) -> std::string"""
11400  return _IMP_atom.ForceFieldParameters___repr__(self)
11401 
11402 
11403  @staticmethod
11404  def get_from(o):
11405  return _object_cast_to_ForceFieldParameters(o)
11406 
11407 ForceFieldParameters_swigregister = _IMP_atom.ForceFieldParameters_swigregister
11408 ForceFieldParameters_swigregister(ForceFieldParameters)
11409 
11410 class CHARMMAtomTopology(object):
11411  """Proxy of C++ IMP::atom::CHARMMAtomTopology class"""
11412  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11413 
11414  def __init__(self, *args):
11415  """
11416  __init__(IMP::atom::CHARMMAtomTopology self) -> CHARMMAtomTopology
11417  __init__(IMP::atom::CHARMMAtomTopology self, std::string name) -> CHARMMAtomTopology
11418  __init__(IMP::atom::CHARMMAtomTopology self, std::string name, CHARMMAtomTopology other) -> CHARMMAtomTopology
11419  """
11420  this = _IMP_atom.new_CHARMMAtomTopology(*args)
11421  try:
11422  self.this.append(this)
11423  except:
11424  self.this = this
11425 
11426  def get_name(self):
11427  """get_name(CHARMMAtomTopology self) -> std::string"""
11428  return _IMP_atom.CHARMMAtomTopology_get_name(self)
11429 
11430 
11431  def get_charmm_type(self):
11432  """get_charmm_type(CHARMMAtomTopology self) -> std::string"""
11433  return _IMP_atom.CHARMMAtomTopology_get_charmm_type(self)
11434 
11435 
11436  def get_charge(self):
11437  """get_charge(CHARMMAtomTopology self) -> double"""
11438  return _IMP_atom.CHARMMAtomTopology_get_charge(self)
11439 
11440 
11441  def set_charmm_type(self, charmm_type):
11442  """set_charmm_type(CHARMMAtomTopology self, std::string charmm_type)"""
11443  return _IMP_atom.CHARMMAtomTopology_set_charmm_type(self, charmm_type)
11444 
11445 
11446  def set_charge(self, charge):
11447  """set_charge(CHARMMAtomTopology self, double charge)"""
11448  return _IMP_atom.CHARMMAtomTopology_set_charge(self, charge)
11449 
11450 
11451  def show(self, *args):
11452  """
11453  show(CHARMMAtomTopology self, _ostream out)
11454  show(CHARMMAtomTopology self)
11455  """
11456  return _IMP_atom.CHARMMAtomTopology_show(self, *args)
11457 
11458 
11459  def __str__(self):
11460  """__str__(CHARMMAtomTopology self) -> std::string"""
11461  return _IMP_atom.CHARMMAtomTopology___str__(self)
11462 
11463 
11464  def __repr__(self):
11465  """__repr__(CHARMMAtomTopology self) -> std::string"""
11466  return _IMP_atom.CHARMMAtomTopology___repr__(self)
11467 
11468 
11469  def _get_as_binary(self):
11470  """_get_as_binary(CHARMMAtomTopology self) -> PyObject *"""
11471  return _IMP_atom.CHARMMAtomTopology__get_as_binary(self)
11472 
11473 
11474  def _set_from_binary(self, p):
11475  """_set_from_binary(CHARMMAtomTopology self, PyObject * p)"""
11476  return _IMP_atom.CHARMMAtomTopology__set_from_binary(self, p)
11477 
11478 
11479  def __getstate__(self):
11480  p = self._get_as_binary()
11481  if len(self.__dict__) > 1:
11482  d = self.__dict__.copy()
11483  del d['this']
11484  p = (d, p)
11485  return p
11486 
11487  def __setstate__(self, p):
11488  if not hasattr(self, 'this'):
11489  self.__init__()
11490  if isinstance(p, tuple):
11491  d, p = p
11492  self.__dict__.update(d)
11493  return self._set_from_binary(p)
11494 
11495  __swig_destroy__ = _IMP_atom.delete_CHARMMAtomTopology
11496  __del__ = lambda self: None
11497 CHARMMAtomTopology_swigregister = _IMP_atom.CHARMMAtomTopology_swigregister
11498 CHARMMAtomTopology_swigregister(CHARMMAtomTopology)
11499 
11500 class CHARMMBondEndpoint(object):
11501  """Proxy of C++ IMP::atom::CHARMMBondEndpoint class"""
11502  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11503 
11504  def __init__(self, atom_name, residue=None):
11505  """
11506  __init__(IMP::atom::CHARMMBondEndpoint self, std::string atom_name, CHARMMResidueTopology residue=None) -> CHARMMBondEndpoint
11507  __init__(IMP::atom::CHARMMBondEndpoint self, std::string atom_name) -> CHARMMBondEndpoint
11508  """
11509  this = _IMP_atom.new_CHARMMBondEndpoint(atom_name, residue)
11510  try:
11511  self.this.append(this)
11512  except:
11513  self.this = this
11514 
11515  def get_atom_name(self):
11516  """get_atom_name(CHARMMBondEndpoint self) -> std::string"""
11517  return _IMP_atom.CHARMMBondEndpoint_get_atom_name(self)
11518 
11519 
11520  def get_atom(self, current_residue, previous_residue, next_residue, resmap):
11521  """get_atom(CHARMMBondEndpoint self, CHARMMResidueTopology current_residue, CHARMMResidueTopology previous_residue, CHARMMResidueTopology next_residue, std::map< IMP::atom::CHARMMResidueTopology const *,IMP::atom::Hierarchy > const & resmap) -> Atom"""
11522  return _IMP_atom.CHARMMBondEndpoint_get_atom(self, current_residue, previous_residue, next_residue, resmap)
11523 
11524 
11525  def show(self, *args):
11526  """
11527  show(CHARMMBondEndpoint self, _ostream out)
11528  show(CHARMMBondEndpoint self)
11529  """
11530  return _IMP_atom.CHARMMBondEndpoint_show(self, *args)
11531 
11532 
11533  def __str__(self):
11534  """__str__(CHARMMBondEndpoint self) -> std::string"""
11535  return _IMP_atom.CHARMMBondEndpoint___str__(self)
11536 
11537 
11538  def __repr__(self):
11539  """__repr__(CHARMMBondEndpoint self) -> std::string"""
11540  return _IMP_atom.CHARMMBondEndpoint___repr__(self)
11541 
11542  __swig_destroy__ = _IMP_atom.delete_CHARMMBondEndpoint
11543  __del__ = lambda self: None
11544 CHARMMBondEndpoint_swigregister = _IMP_atom.CHARMMBondEndpoint_swigregister
11545 CHARMMBondEndpoint_swigregister(CHARMMBondEndpoint)
11546 
11547 class CHARMMDihedral(object):
11548  """Proxy of C++ IMP::atom::CHARMMConnection<(4)> class"""
11549  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11550  __repr__ = _swig_repr
11551 
11552  def __init__(self, atoms):
11553  """__init__(IMP::atom::CHARMMConnection<(4)> self, IMP::Strings const & atoms) -> CHARMMDihedral"""
11554  this = _IMP_atom.new_CHARMMDihedral(atoms)
11555  try:
11556  self.this.append(this)
11557  except:
11558  self.this = this
11559 
11560  def get_endpoint(self, i):
11561  """get_endpoint(CHARMMDihedral self, unsigned int i) -> CHARMMBondEndpoint"""
11562  return _IMP_atom.CHARMMDihedral_get_endpoint(self, i)
11563 
11564 
11565  def get_contains_atom(self, name):
11566  """get_contains_atom(CHARMMDihedral self, std::string name) -> bool"""
11567  return _IMP_atom.CHARMMDihedral_get_contains_atom(self, name)
11568 
11569 
11570  def show(self, *args):
11571  """
11572  show(CHARMMDihedral self, _ostream out)
11573  show(CHARMMDihedral self)
11574  """
11575  return _IMP_atom.CHARMMDihedral_show(self, *args)
11576 
11577  __swig_destroy__ = _IMP_atom.delete_CHARMMDihedral
11578  __del__ = lambda self: None
11579 CHARMMDihedral_swigregister = _IMP_atom.CHARMMDihedral_swigregister
11580 CHARMMDihedral_swigregister(CHARMMDihedral)
11581 
11582 class CHARMMInternalCoordinate(CHARMMDihedral):
11583  """Proxy of C++ IMP::atom::CHARMMInternalCoordinate class"""
11584  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11585 
11586  def __init__(self, *args):
11587  """
11588  __init__(IMP::atom::CHARMMInternalCoordinate self, IMP::Strings const & atoms, float first_distance, float first_angle, float dihedral, float second_angle, float second_distance, bool improper) -> CHARMMInternalCoordinate
11589  __init__(IMP::atom::CHARMMInternalCoordinate self, IMP::Vector< IMP::atom::CHARMMBondEndpoint > const endpoints, float first_distance, float first_angle, float dihedral, float second_angle, float second_distance, bool improper) -> CHARMMInternalCoordinate
11590  """
11591  this = _IMP_atom.new_CHARMMInternalCoordinate(*args)
11592  try:
11593  self.this.append(this)
11594  except:
11595  self.this = this
11596 
11597  def get_first_distance(self):
11598  """get_first_distance(CHARMMInternalCoordinate self) -> float"""
11599  return _IMP_atom.CHARMMInternalCoordinate_get_first_distance(self)
11600 
11601 
11602  def get_second_distance(self):
11603  """get_second_distance(CHARMMInternalCoordinate self) -> float"""
11604  return _IMP_atom.CHARMMInternalCoordinate_get_second_distance(self)
11605 
11606 
11607  def get_first_angle(self):
11608  """get_first_angle(CHARMMInternalCoordinate self) -> float"""
11609  return _IMP_atom.CHARMMInternalCoordinate_get_first_angle(self)
11610 
11611 
11612  def get_second_angle(self):
11613  """get_second_angle(CHARMMInternalCoordinate self) -> float"""
11614  return _IMP_atom.CHARMMInternalCoordinate_get_second_angle(self)
11615 
11616 
11617  def get_dihedral(self):
11618  """get_dihedral(CHARMMInternalCoordinate self) -> float"""
11619  return _IMP_atom.CHARMMInternalCoordinate_get_dihedral(self)
11620 
11621 
11622  def get_improper(self):
11623  """get_improper(CHARMMInternalCoordinate self) -> bool"""
11624  return _IMP_atom.CHARMMInternalCoordinate_get_improper(self)
11625 
11626 
11627  def show(self, *args):
11628  """
11629  show(CHARMMInternalCoordinate self, _ostream out)
11630  show(CHARMMInternalCoordinate self)
11631  """
11632  return _IMP_atom.CHARMMInternalCoordinate_show(self, *args)
11633 
11634 
11635  def __str__(self):
11636  """__str__(CHARMMInternalCoordinate self) -> std::string"""
11637  return _IMP_atom.CHARMMInternalCoordinate___str__(self)
11638 
11639 
11640  def __repr__(self):
11641  """__repr__(CHARMMInternalCoordinate self) -> std::string"""
11642  return _IMP_atom.CHARMMInternalCoordinate___repr__(self)
11643 
11644  __swig_destroy__ = _IMP_atom.delete_CHARMMInternalCoordinate
11645  __del__ = lambda self: None
11646 CHARMMInternalCoordinate_swigregister = _IMP_atom.CHARMMInternalCoordinate_swigregister
11647 CHARMMInternalCoordinate_swigregister(CHARMMInternalCoordinate)
11648 
11649 class CHARMMResidueTopologyBase(IMP.Object):
11650  """Proxy of C++ IMP::atom::CHARMMResidueTopologyBase class"""
11651  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11652 
11653  def __init__(self, *args, **kwargs):
11654  raise AttributeError("No constructor defined")
11655 
11656  def get_type(self):
11657  """get_type(CHARMMResidueTopologyBase self) -> std::string"""
11658  return _IMP_atom.CHARMMResidueTopologyBase_get_type(self)
11659 
11660 
11661  def get_number_of_atoms(self):
11662  """get_number_of_atoms(CHARMMResidueTopologyBase self) -> unsigned int"""
11663  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_atoms(self)
11664 
11665 
11666  def add_atom(self, atom):
11667  """add_atom(CHARMMResidueTopologyBase self, CHARMMAtomTopology atom)"""
11668  return _IMP_atom.CHARMMResidueTopologyBase_add_atom(self, atom)
11669 
11670 
11671  def get_atom(self, *args):
11672  """
11673  get_atom(CHARMMResidueTopologyBase self, unsigned int i) -> CHARMMAtomTopology
11674  get_atom(CHARMMResidueTopologyBase self, AtomType type) -> CHARMMAtomTopology
11675  get_atom(CHARMMResidueTopologyBase self, std::string name) -> CHARMMAtomTopology
11676  """
11677  return _IMP_atom.CHARMMResidueTopologyBase_get_atom(self, *args)
11678 
11679 
11680  def get_number_of_bonds(self):
11681  """get_number_of_bonds(CHARMMResidueTopologyBase self) -> unsigned int"""
11682  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_bonds(self)
11683 
11684 
11685  def add_bond(self, bond):
11686  """add_bond(CHARMMResidueTopologyBase self, CHARMMBond bond)"""
11687  return _IMP_atom.CHARMMResidueTopologyBase_add_bond(self, bond)
11688 
11689 
11690  def get_number_of_angles(self):
11691  """get_number_of_angles(CHARMMResidueTopologyBase self) -> unsigned int"""
11692  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_angles(self)
11693 
11694 
11695  def add_angle(self, bond):
11696  """add_angle(CHARMMResidueTopologyBase self, CHARMMAngle bond)"""
11697  return _IMP_atom.CHARMMResidueTopologyBase_add_angle(self, bond)
11698 
11699 
11700  def get_number_of_dihedrals(self):
11701  """get_number_of_dihedrals(CHARMMResidueTopologyBase self) -> unsigned int"""
11702  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_dihedrals(self)
11703 
11704 
11705  def add_dihedral(self, bond):
11706  """add_dihedral(CHARMMResidueTopologyBase self, CHARMMDihedral bond)"""
11707  return _IMP_atom.CHARMMResidueTopologyBase_add_dihedral(self, bond)
11708 
11709 
11710  def get_number_of_impropers(self):
11711  """get_number_of_impropers(CHARMMResidueTopologyBase self) -> unsigned int"""
11712  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_impropers(self)
11713 
11714 
11715  def add_improper(self, bond):
11716  """add_improper(CHARMMResidueTopologyBase self, CHARMMDihedral bond)"""
11717  return _IMP_atom.CHARMMResidueTopologyBase_add_improper(self, bond)
11718 
11719 
11720  def get_number_of_internal_coordinates(self):
11721  """get_number_of_internal_coordinates(CHARMMResidueTopologyBase self) -> unsigned int"""
11722  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_internal_coordinates(self)
11723 
11724 
11725  def add_internal_coordinate(self, ic):
11726  """add_internal_coordinate(CHARMMResidueTopologyBase self, CHARMMInternalCoordinate ic)"""
11727  return _IMP_atom.CHARMMResidueTopologyBase_add_internal_coordinate(self, ic)
11728 
11729 
11730  def get_internal_coordinate(self, index):
11731  """get_internal_coordinate(CHARMMResidueTopologyBase self, unsigned int index) -> CHARMMInternalCoordinate"""
11732  return _IMP_atom.CHARMMResidueTopologyBase_get_internal_coordinate(self, index)
11733 
11734 
11735  def get_bond(self, index):
11736  """get_bond(CHARMMResidueTopologyBase self, unsigned int index) -> CHARMMBond"""
11737  return _IMP_atom.CHARMMResidueTopologyBase_get_bond(self, index)
11738 
11739 
11740  def get_angle(self, index):
11741  """get_angle(CHARMMResidueTopologyBase self, unsigned int index) -> CHARMMAngle"""
11742  return _IMP_atom.CHARMMResidueTopologyBase_get_angle(self, index)
11743 
11744 
11745  def get_dihedral(self, index):
11746  """get_dihedral(CHARMMResidueTopologyBase self, unsigned int index) -> CHARMMDihedral"""
11747  return _IMP_atom.CHARMMResidueTopologyBase_get_dihedral(self, index)
11748 
11749 
11750  def get_improper(self, index):
11751  """get_improper(CHARMMResidueTopologyBase self, unsigned int index) -> CHARMMDihedral"""
11752  return _IMP_atom.CHARMMResidueTopologyBase_get_improper(self, index)
11753 
11754 
11755  def get_version_info(self):
11756  """get_version_info(CHARMMResidueTopologyBase self) -> VersionInfo"""
11757  return _IMP_atom.CHARMMResidueTopologyBase_get_version_info(self)
11758 
11759 
11760  def __str__(self):
11761  """__str__(CHARMMResidueTopologyBase self) -> std::string"""
11762  return _IMP_atom.CHARMMResidueTopologyBase___str__(self)
11763 
11764 
11765  def __repr__(self):
11766  """__repr__(CHARMMResidueTopologyBase self) -> std::string"""
11767  return _IMP_atom.CHARMMResidueTopologyBase___repr__(self)
11768 
11769 
11770  @staticmethod
11771  def get_from(o):
11772  return _object_cast_to_CHARMMResidueTopologyBase(o)
11773 
11774 CHARMMResidueTopologyBase_swigregister = _IMP_atom.CHARMMResidueTopologyBase_swigregister
11775 CHARMMResidueTopologyBase_swigregister(CHARMMResidueTopologyBase)
11776 
11777 class CHARMMIdealResidueTopology(CHARMMResidueTopologyBase):
11778  """Proxy of C++ IMP::atom::CHARMMIdealResidueTopology class"""
11779  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11780 
11781  def __init__(self, *args):
11782  """
11783  __init__(IMP::atom::CHARMMIdealResidueTopology self, std::string type) -> CHARMMIdealResidueTopology
11784  __init__(IMP::atom::CHARMMIdealResidueTopology self, ResidueType type) -> CHARMMIdealResidueTopology
11785  """
11786  this = _IMP_atom.new_CHARMMIdealResidueTopology(*args)
11787  try:
11788  self.this.append(this)
11789  except:
11790  self.this = this
11791 
11792  def remove_atom(self, name):
11793  """remove_atom(CHARMMIdealResidueTopology self, std::string name)"""
11794  return _IMP_atom.CHARMMIdealResidueTopology_remove_atom(self, name)
11795 
11796 
11797  def set_default_first_patch(self, patch):
11798  """set_default_first_patch(CHARMMIdealResidueTopology self, std::string patch)"""
11799  return _IMP_atom.CHARMMIdealResidueTopology_set_default_first_patch(self, patch)
11800 
11801 
11802  def set_default_last_patch(self, patch):
11803  """set_default_last_patch(CHARMMIdealResidueTopology self, std::string patch)"""
11804  return _IMP_atom.CHARMMIdealResidueTopology_set_default_last_patch(self, patch)
11805 
11806 
11807  def get_default_first_patch(self):
11808  """get_default_first_patch(CHARMMIdealResidueTopology self) -> std::string"""
11809  return _IMP_atom.CHARMMIdealResidueTopology_get_default_first_patch(self)
11810 
11811 
11812  def get_default_last_patch(self):
11813  """get_default_last_patch(CHARMMIdealResidueTopology self) -> std::string"""
11814  return _IMP_atom.CHARMMIdealResidueTopology_get_default_last_patch(self)
11815 
11816 
11817  def __str__(self):
11818  """__str__(CHARMMIdealResidueTopology self) -> std::string"""
11819  return _IMP_atom.CHARMMIdealResidueTopology___str__(self)
11820 
11821 
11822  def __repr__(self):
11823  """__repr__(CHARMMIdealResidueTopology self) -> std::string"""
11824  return _IMP_atom.CHARMMIdealResidueTopology___repr__(self)
11825 
11826 
11827  @staticmethod
11828  def get_from(o):
11829  return _object_cast_to_CHARMMIdealResidueTopology(o)
11830 
11831 CHARMMIdealResidueTopology_swigregister = _IMP_atom.CHARMMIdealResidueTopology_swigregister
11832 CHARMMIdealResidueTopology_swigregister(CHARMMIdealResidueTopology)
11833 
11834 class CHARMMPatch(CHARMMResidueTopologyBase):
11835  """Proxy of C++ IMP::atom::CHARMMPatch class"""
11836  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11837 
11838  def __init__(self, type):
11839  """__init__(IMP::atom::CHARMMPatch self, std::string type) -> CHARMMPatch"""
11840  this = _IMP_atom.new_CHARMMPatch(type)
11841  try:
11842  self.this.append(this)
11843  except:
11844  self.this = this
11845 
11846  def add_removed_atom(self, name):
11847  """add_removed_atom(CHARMMPatch self, std::string name)"""
11848  return _IMP_atom.CHARMMPatch_add_removed_atom(self, name)
11849 
11850 
11851  def get_number_of_removed_atoms(self):
11852  """get_number_of_removed_atoms(CHARMMPatch self) -> unsigned int"""
11853  return _IMP_atom.CHARMMPatch_get_number_of_removed_atoms(self)
11854 
11855 
11856  def get_removed_atom(self, i):
11857  """get_removed_atom(CHARMMPatch self, unsigned int i) -> std::string"""
11858  return _IMP_atom.CHARMMPatch_get_removed_atom(self, i)
11859 
11860 
11861  def apply(self, *args):
11862  """
11863  apply(CHARMMPatch self, CHARMMResidueTopology res)
11864  apply(CHARMMPatch self, CHARMMResidueTopology res1, CHARMMResidueTopology res2)
11865  """
11866  return _IMP_atom.CHARMMPatch_apply(self, *args)
11867 
11868 
11869  def __str__(self):
11870  """__str__(CHARMMPatch self) -> std::string"""
11871  return _IMP_atom.CHARMMPatch___str__(self)
11872 
11873 
11874  def __repr__(self):
11875  """__repr__(CHARMMPatch self) -> std::string"""
11876  return _IMP_atom.CHARMMPatch___repr__(self)
11877 
11878 
11879  @staticmethod
11880  def get_from(o):
11881  return _object_cast_to_CHARMMPatch(o)
11882 
11883 CHARMMPatch_swigregister = _IMP_atom.CHARMMPatch_swigregister
11884 CHARMMPatch_swigregister(CHARMMPatch)
11885 
11886 class CHARMMResidueTopology(CHARMMIdealResidueTopology):
11887  """Proxy of C++ IMP::atom::CHARMMResidueTopology class"""
11888  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11889 
11890  def __init__(self, *args):
11891  """
11892  __init__(IMP::atom::CHARMMResidueTopology self, ResidueType type) -> CHARMMResidueTopology
11893  __init__(IMP::atom::CHARMMResidueTopology self, CHARMMIdealResidueTopology ideal) -> CHARMMResidueTopology
11894  """
11895  this = _IMP_atom.new_CHARMMResidueTopology(*args)
11896  try:
11897  self.this.append(this)
11898  except:
11899  self.this = this
11900 
11901  def get_patched(self):
11902  """get_patched(CHARMMResidueTopology self) -> bool"""
11903  return _IMP_atom.CHARMMResidueTopology_get_patched(self)
11904 
11905 
11906  def set_patched(self, patched):
11907  """set_patched(CHARMMResidueTopology self, bool patched)"""
11908  return _IMP_atom.CHARMMResidueTopology_set_patched(self, patched)
11909 
11910 
11911  def __str__(self):
11912  """__str__(CHARMMResidueTopology self) -> std::string"""
11913  return _IMP_atom.CHARMMResidueTopology___str__(self)
11914 
11915 
11916  def __repr__(self):
11917  """__repr__(CHARMMResidueTopology self) -> std::string"""
11918  return _IMP_atom.CHARMMResidueTopology___repr__(self)
11919 
11920 
11921  @staticmethod
11922  def get_from(o):
11923  return _object_cast_to_CHARMMResidueTopology(o)
11924 
11925 CHARMMResidueTopology_swigregister = _IMP_atom.CHARMMResidueTopology_swigregister
11926 CHARMMResidueTopology_swigregister(CHARMMResidueTopology)
11927 
11928 class CHARMMAtom(Atom):
11929  """Proxy of C++ IMP::atom::CHARMMAtom class"""
11930  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11931 
11932  def __init__(self, *args):
11933  """
11934  __init__(IMP::atom::CHARMMAtom self) -> CHARMMAtom
11935  __init__(IMP::atom::CHARMMAtom self, Model m, ParticleIndex id) -> CHARMMAtom
11936  __init__(IMP::atom::CHARMMAtom self, _ParticleAdaptor d) -> CHARMMAtom
11937  """
11938  this = _IMP_atom.new_CHARMMAtom(*args)
11939  try:
11940  self.this.append(this)
11941  except:
11942  self.this = this
11943 
11944  def show(self, *args):
11945  """
11946  show(CHARMMAtom self, _ostream out)
11947  show(CHARMMAtom self)
11948  """
11949  return _IMP_atom.CHARMMAtom_show(self, *args)
11950 
11951 
11952  def setup_particle(*args):
11953  """
11954  setup_particle(Model m, ParticleIndex pi, IMP::String charmm_type) -> CHARMMAtom
11955  setup_particle(_ParticleAdaptor decorator, IMP::String charmm_type) -> CHARMMAtom
11956  """
11957  return _IMP_atom.CHARMMAtom_setup_particle(*args)
11958 
11959  setup_particle = staticmethod(setup_particle)
11960 
11961  def get_charmm_type(self):
11962  """get_charmm_type(CHARMMAtom self) -> IMP::String"""
11963  return _IMP_atom.CHARMMAtom_get_charmm_type(self)
11964 
11965 
11966  def set_charmm_type(self, t):
11967  """set_charmm_type(CHARMMAtom self, IMP::String t)"""
11968  return _IMP_atom.CHARMMAtom_set_charmm_type(self, t)
11969 
11970 
11971  def get_is_setup(*args):
11972  """
11973  get_is_setup(_ParticleAdaptor p) -> bool
11974  get_is_setup(Model m, ParticleIndex pi) -> bool
11975  """
11976  return _IMP_atom.CHARMMAtom_get_is_setup(*args)
11977 
11978  get_is_setup = staticmethod(get_is_setup)
11979 
11980  def get_charmm_type_key():
11981  """get_charmm_type_key() -> StringKey"""
11982  return _IMP_atom.CHARMMAtom_get_charmm_type_key()
11983 
11984  get_charmm_type_key = staticmethod(get_charmm_type_key)
11985 
11986  def add_attribute(self, *args):
11987  """
11988  add_attribute(CHARMMAtom self, FloatKey k, IMP::Float v, bool opt)
11989  add_attribute(CHARMMAtom self, FloatKey a0, IMP::Float a1)
11990  add_attribute(CHARMMAtom self, IntKey a0, IMP::Int a1)
11991  add_attribute(CHARMMAtom self, FloatsKey a0, IMP::Floats a1)
11992  add_attribute(CHARMMAtom self, IntsKey a0, IMP::Ints a1)
11993  add_attribute(CHARMMAtom self, StringKey a0, IMP::String a1)
11994  add_attribute(CHARMMAtom self, ParticleIndexKey a0, Particle a1)
11995  add_attribute(CHARMMAtom self, ObjectKey a0, Object a1)
11996  """
11997  return _IMP_atom.CHARMMAtom_add_attribute(self, *args)
11998 
11999 
12000  def get_value(self, *args):
12001  """
12002  get_value(CHARMMAtom self, FloatKey a0) -> IMP::Float
12003  get_value(CHARMMAtom self, IntKey a0) -> IMP::Int
12004  get_value(CHARMMAtom self, FloatsKey a0) -> IMP::Floats
12005  get_value(CHARMMAtom self, IntsKey a0) -> IMP::Ints
12006  get_value(CHARMMAtom self, StringKey a0) -> IMP::String
12007  get_value(CHARMMAtom self, ParticleIndexKey a0) -> Particle
12008  get_value(CHARMMAtom self, ObjectKey a0) -> Object
12009  """
12010  return _IMP_atom.CHARMMAtom_get_value(self, *args)
12011 
12012 
12013  def set_value(self, *args):
12014  """
12015  set_value(CHARMMAtom self, FloatKey a0, IMP::Float a1)
12016  set_value(CHARMMAtom self, IntKey a0, IMP::Int a1)
12017  set_value(CHARMMAtom self, FloatsKey a0, IMP::Floats a1)
12018  set_value(CHARMMAtom self, IntsKey a0, IMP::Ints a1)
12019  set_value(CHARMMAtom self, StringKey a0, IMP::String a1)
12020  set_value(CHARMMAtom self, ParticleIndexKey a0, Particle a1)
12021  set_value(CHARMMAtom self, ObjectKey a0, Object a1)
12022  """
12023  return _IMP_atom.CHARMMAtom_set_value(self, *args)
12024 
12025 
12026  def remove_attribute(self, *args):
12027  """
12028  remove_attribute(CHARMMAtom self, FloatKey a0)
12029  remove_attribute(CHARMMAtom self, IntKey a0)
12030  remove_attribute(CHARMMAtom self, FloatsKey a0)
12031  remove_attribute(CHARMMAtom self, IntsKey a0)
12032  remove_attribute(CHARMMAtom self, StringKey a0)
12033  remove_attribute(CHARMMAtom self, ParticleIndexKey a0)
12034  remove_attribute(CHARMMAtom self, ObjectKey a0)
12035  """
12036  return _IMP_atom.CHARMMAtom_remove_attribute(self, *args)
12037 
12038 
12039  def has_attribute(self, *args):
12040  """
12041  has_attribute(CHARMMAtom self, FloatKey a0) -> bool
12042  has_attribute(CHARMMAtom self, IntKey a0) -> bool
12043  has_attribute(CHARMMAtom self, FloatsKey a0) -> bool
12044  has_attribute(CHARMMAtom self, IntsKey a0) -> bool
12045  has_attribute(CHARMMAtom self, StringKey a0) -> bool
12046  has_attribute(CHARMMAtom self, ParticleIndexKey a0) -> bool
12047  has_attribute(CHARMMAtom self, ObjectKey a0) -> bool
12048  """
12049  return _IMP_atom.CHARMMAtom_has_attribute(self, *args)
12050 
12051 
12052  def get_derivative(self, a0):
12053  """get_derivative(CHARMMAtom self, FloatKey a0) -> double"""
12054  return _IMP_atom.CHARMMAtom_get_derivative(self, a0)
12055 
12056 
12057  def get_name(self):
12058  """get_name(CHARMMAtom self) -> std::string"""
12059  return _IMP_atom.CHARMMAtom_get_name(self)
12060 
12061 
12062  def clear_caches(self):
12063  """clear_caches(CHARMMAtom self)"""
12064  return _IMP_atom.CHARMMAtom_clear_caches(self)
12065 
12066 
12067  def set_name(self, a0):
12068  """set_name(CHARMMAtom self, std::string a0)"""
12069  return _IMP_atom.CHARMMAtom_set_name(self, a0)
12070 
12071 
12072  def set_check_level(self, a0):
12073  """set_check_level(CHARMMAtom self, IMP::CheckLevel a0)"""
12074  return _IMP_atom.CHARMMAtom_set_check_level(self, a0)
12075 
12076 
12077  def add_to_derivative(self, a0, a1, a2):
12078  """add_to_derivative(CHARMMAtom self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
12079  return _IMP_atom.CHARMMAtom_add_to_derivative(self, a0, a1, a2)
12080 
12081 
12082  def set_is_optimized(self, a0, a1):
12083  """set_is_optimized(CHARMMAtom self, FloatKey a0, bool a1)"""
12084  return _IMP_atom.CHARMMAtom_set_is_optimized(self, a0, a1)
12085 
12086 
12087  def get_is_optimized(self, a0):
12088  """get_is_optimized(CHARMMAtom self, FloatKey a0) -> bool"""
12089  return _IMP_atom.CHARMMAtom_get_is_optimized(self, a0)
12090 
12091 
12092  def get_check_level(self):
12093  """get_check_level(CHARMMAtom self) -> IMP::CheckLevel"""
12094  return _IMP_atom.CHARMMAtom_get_check_level(self)
12095 
12096 
12097  def __eq__(self, *args):
12098  """
12099  __eq__(CHARMMAtom self, CHARMMAtom o) -> bool
12100  __eq__(CHARMMAtom self, Particle d) -> bool
12101  """
12102  return _IMP_atom.CHARMMAtom___eq__(self, *args)
12103 
12104 
12105  def __ne__(self, *args):
12106  """
12107  __ne__(CHARMMAtom self, CHARMMAtom o) -> bool
12108  __ne__(CHARMMAtom self, Particle d) -> bool
12109  """
12110  return _IMP_atom.CHARMMAtom___ne__(self, *args)
12111 
12112 
12113  def __le__(self, *args):
12114  """
12115  __le__(CHARMMAtom self, CHARMMAtom o) -> bool
12116  __le__(CHARMMAtom self, Particle d) -> bool
12117  """
12118  return _IMP_atom.CHARMMAtom___le__(self, *args)
12119 
12120 
12121  def __lt__(self, *args):
12122  """
12123  __lt__(CHARMMAtom self, CHARMMAtom o) -> bool
12124  __lt__(CHARMMAtom self, Particle d) -> bool
12125  """
12126  return _IMP_atom.CHARMMAtom___lt__(self, *args)
12127 
12128 
12129  def __ge__(self, *args):
12130  """
12131  __ge__(CHARMMAtom self, CHARMMAtom o) -> bool
12132  __ge__(CHARMMAtom self, Particle d) -> bool
12133  """
12134  return _IMP_atom.CHARMMAtom___ge__(self, *args)
12135 
12136 
12137  def __gt__(self, *args):
12138  """
12139  __gt__(CHARMMAtom self, CHARMMAtom o) -> bool
12140  __gt__(CHARMMAtom self, Particle d) -> bool
12141  """
12142  return _IMP_atom.CHARMMAtom___gt__(self, *args)
12143 
12144 
12145  def __hash__(self):
12146  """__hash__(CHARMMAtom self) -> std::size_t"""
12147  return _IMP_atom.CHARMMAtom___hash__(self)
12148 
12149 
12150  def __str__(self):
12151  """__str__(CHARMMAtom self) -> std::string"""
12152  return _IMP_atom.CHARMMAtom___str__(self)
12153 
12154 
12155  def __repr__(self):
12156  """__repr__(CHARMMAtom self) -> std::string"""
12157  return _IMP_atom.CHARMMAtom___repr__(self)
12158 
12159  __swig_destroy__ = _IMP_atom.delete_CHARMMAtom
12160  __del__ = lambda self: None
12161 CHARMMAtom_swigregister = _IMP_atom.CHARMMAtom_swigregister
12162 CHARMMAtom_swigregister(CHARMMAtom)
12163 
12164 def CHARMMAtom_setup_particle(*args):
12165  """
12166  setup_particle(Model m, ParticleIndex pi, IMP::String charmm_type) -> CHARMMAtom
12167  CHARMMAtom_setup_particle(_ParticleAdaptor decorator, IMP::String charmm_type) -> CHARMMAtom
12168  """
12169  return _IMP_atom.CHARMMAtom_setup_particle(*args)
12170 
12171 def CHARMMAtom_get_is_setup(*args):
12172  """
12173  get_is_setup(_ParticleAdaptor p) -> bool
12174  CHARMMAtom_get_is_setup(Model m, ParticleIndex pi) -> bool
12175  """
12176  return _IMP_atom.CHARMMAtom_get_is_setup(*args)
12177 
12178 def CHARMMAtom_get_charmm_type_key():
12179  """CHARMMAtom_get_charmm_type_key() -> StringKey"""
12180  return _IMP_atom.CHARMMAtom_get_charmm_type_key()
12181 
12182 
12183 def get_charmm_untyped_atoms(hierarchy):
12184  """get_charmm_untyped_atoms(Hierarchy hierarchy) -> IMP::atom::Atoms"""
12185  return _IMP_atom.get_charmm_untyped_atoms(hierarchy)
12186 
12187 def remove_charmm_untyped_atoms(hierarchy):
12188  """remove_charmm_untyped_atoms(Hierarchy hierarchy)"""
12189  return _IMP_atom.remove_charmm_untyped_atoms(hierarchy)
12190 class CHARMMBondParameters(object):
12191  """Proxy of C++ IMP::atom::CHARMMBondParameters class"""
12192  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12193  force_constant = _swig_property(_IMP_atom.CHARMMBondParameters_force_constant_get, _IMP_atom.CHARMMBondParameters_force_constant_set)
12194  ideal = _swig_property(_IMP_atom.CHARMMBondParameters_ideal_get, _IMP_atom.CHARMMBondParameters_ideal_set)
12195 
12196  def __init__(self):
12197  """__init__(IMP::atom::CHARMMBondParameters self) -> CHARMMBondParameters"""
12198  this = _IMP_atom.new_CHARMMBondParameters()
12199  try:
12200  self.this.append(this)
12201  except:
12202  self.this = this
12203 
12204  def show(self, *args):
12205  """
12206  show(CHARMMBondParameters self, _ostream out)
12207  show(CHARMMBondParameters self)
12208  """
12209  return _IMP_atom.CHARMMBondParameters_show(self, *args)
12210 
12211 
12212  def __str__(self):
12213  """__str__(CHARMMBondParameters self) -> std::string"""
12214  return _IMP_atom.CHARMMBondParameters___str__(self)
12215 
12216 
12217  def __repr__(self):
12218  """__repr__(CHARMMBondParameters self) -> std::string"""
12219  return _IMP_atom.CHARMMBondParameters___repr__(self)
12220 
12221 
12222  def _get_as_binary(self):
12223  """_get_as_binary(CHARMMBondParameters self) -> PyObject *"""
12224  return _IMP_atom.CHARMMBondParameters__get_as_binary(self)
12225 
12226 
12227  def _set_from_binary(self, p):
12228  """_set_from_binary(CHARMMBondParameters self, PyObject * p)"""
12229  return _IMP_atom.CHARMMBondParameters__set_from_binary(self, p)
12230 
12231 
12232  def __getstate__(self):
12233  p = self._get_as_binary()
12234  if len(self.__dict__) > 1:
12235  d = self.__dict__.copy()
12236  del d['this']
12237  p = (d, p)
12238  return p
12239 
12240  def __setstate__(self, p):
12241  if not hasattr(self, 'this'):
12242  self.__init__()
12243  if isinstance(p, tuple):
12244  d, p = p
12245  self.__dict__.update(d)
12246  return self._set_from_binary(p)
12247 
12248  __swig_destroy__ = _IMP_atom.delete_CHARMMBondParameters
12249  __del__ = lambda self: None
12250 CHARMMBondParameters_swigregister = _IMP_atom.CHARMMBondParameters_swigregister
12251 CHARMMBondParameters_swigregister(CHARMMBondParameters)
12252 
12253 class CHARMMDihedralParameters(object):
12254  """Proxy of C++ IMP::atom::CHARMMDihedralParameters class"""
12255  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12256  force_constant = _swig_property(_IMP_atom.CHARMMDihedralParameters_force_constant_get, _IMP_atom.CHARMMDihedralParameters_force_constant_set)
12257  multiplicity = _swig_property(_IMP_atom.CHARMMDihedralParameters_multiplicity_get, _IMP_atom.CHARMMDihedralParameters_multiplicity_set)
12258  ideal = _swig_property(_IMP_atom.CHARMMDihedralParameters_ideal_get, _IMP_atom.CHARMMDihedralParameters_ideal_set)
12259 
12260  def __init__(self):
12261  """__init__(IMP::atom::CHARMMDihedralParameters self) -> CHARMMDihedralParameters"""
12262  this = _IMP_atom.new_CHARMMDihedralParameters()
12263  try:
12264  self.this.append(this)
12265  except:
12266  self.this = this
12267 
12268  def show(self, *args):
12269  """
12270  show(CHARMMDihedralParameters self, _ostream out)
12271  show(CHARMMDihedralParameters self)
12272  """
12273  return _IMP_atom.CHARMMDihedralParameters_show(self, *args)
12274 
12275 
12276  def __str__(self):
12277  """__str__(CHARMMDihedralParameters self) -> std::string"""
12278  return _IMP_atom.CHARMMDihedralParameters___str__(self)
12279 
12280 
12281  def __repr__(self):
12282  """__repr__(CHARMMDihedralParameters self) -> std::string"""
12283  return _IMP_atom.CHARMMDihedralParameters___repr__(self)
12284 
12285 
12286  def _get_as_binary(self):
12287  """_get_as_binary(CHARMMDihedralParameters self) -> PyObject *"""
12288  return _IMP_atom.CHARMMDihedralParameters__get_as_binary(self)
12289 
12290 
12291  def _set_from_binary(self, p):
12292  """_set_from_binary(CHARMMDihedralParameters self, PyObject * p)"""
12293  return _IMP_atom.CHARMMDihedralParameters__set_from_binary(self, p)
12294 
12295 
12296  def __getstate__(self):
12297  p = self._get_as_binary()
12298  if len(self.__dict__) > 1:
12299  d = self.__dict__.copy()
12300  del d['this']
12301  p = (d, p)
12302  return p
12303 
12304  def __setstate__(self, p):
12305  if not hasattr(self, 'this'):
12306  self.__init__()
12307  if isinstance(p, tuple):
12308  d, p = p
12309  self.__dict__.update(d)
12310  return self._set_from_binary(p)
12311 
12312  __swig_destroy__ = _IMP_atom.delete_CHARMMDihedralParameters
12313  __del__ = lambda self: None
12314 CHARMMDihedralParameters_swigregister = _IMP_atom.CHARMMDihedralParameters_swigregister
12315 CHARMMDihedralParameters_swigregister(CHARMMDihedralParameters)
12316 
12317 class CHARMMParameters(ForceFieldParameters):
12318  """Proxy of C++ IMP::atom::CHARMMParameters class"""
12319  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12320 
12321  def __init__(self, *args):
12322  """
12323  __init__(IMP::atom::CHARMMParameters self, TextInput topology_file_name, TextInput par_file_name, bool translate_names_to_pdb=False) -> CHARMMParameters
12324  __init__(IMP::atom::CHARMMParameters self, TextInput topology_file_name, TextInput par_file_name) -> CHARMMParameters
12325  __init__(IMP::atom::CHARMMParameters self, TextInput topology_file_name) -> CHARMMParameters
12326  """
12327  this = _IMP_atom.new_CHARMMParameters(*args)
12328  try:
12329  self.this.append(this)
12330  except:
12331  self.this = this
12332 
12333  def add_residue_topology(self, res):
12334  """add_residue_topology(CHARMMParameters self, CHARMMIdealResidueTopology res)"""
12335  return _IMP_atom.CHARMMParameters_add_residue_topology(self, res)
12336 
12337 
12338  def get_residue_topology(self, type):
12339  """get_residue_topology(CHARMMParameters self, ResidueType type) -> CHARMMIdealResidueTopology"""
12340  return _IMP_atom.CHARMMParameters_get_residue_topology(self, type)
12341 
12342 
12343  def add_patch(self, patch):
12344  """add_patch(CHARMMParameters self, CHARMMPatch patch)"""
12345  return _IMP_atom.CHARMMParameters_add_patch(self, patch)
12346 
12347 
12348  def get_patch(self, name):
12349  """get_patch(CHARMMParameters self, std::string name) -> CHARMMPatch"""
12350  return _IMP_atom.CHARMMParameters_get_patch(self, name)
12351 
12352 
12353  def create_topology(self, hierarchy):
12354  """create_topology(CHARMMParameters self, Hierarchy hierarchy) -> CHARMMTopology"""
12355  return _IMP_atom.CHARMMParameters_create_topology(self, hierarchy)
12356 
12357 
12358  def get_bond_parameters(self, type1, type2):
12359  """get_bond_parameters(CHARMMParameters self, std::string type1, std::string type2) -> CHARMMBondParameters"""
12360  return _IMP_atom.CHARMMParameters_get_bond_parameters(self, type1, type2)
12361 
12362 
12363  def get_angle_parameters(self, type1, type2, type3):
12364  """get_angle_parameters(CHARMMParameters self, std::string type1, std::string type2, std::string type3) -> CHARMMBondParameters"""
12365  return _IMP_atom.CHARMMParameters_get_angle_parameters(self, type1, type2, type3)
12366 
12367 
12368  def get_dihedral_parameters(self, type1, type2, type3, type4):
12369  """get_dihedral_parameters(CHARMMParameters self, std::string type1, std::string type2, std::string type3, std::string type4) -> IMP::atom::CHARMMDihedralParametersList"""
12370  return _IMP_atom.CHARMMParameters_get_dihedral_parameters(self, type1, type2, type3, type4)
12371 
12372 
12373  def get_improper_parameters(self, type1, type2, type3, type4):
12374  """get_improper_parameters(CHARMMParameters self, std::string type1, std::string type2, std::string type3, std::string type4) -> CHARMMDihedralParameters"""
12375  return _IMP_atom.CHARMMParameters_get_improper_parameters(self, type1, type2, type3, type4)
12376 
12377 
12378  def create_angles(self, bonds):
12379  """create_angles(CHARMMParameters self, IMP::Particles bonds) -> IMP::Particles"""
12380  return _IMP_atom.CHARMMParameters_create_angles(self, bonds)
12381 
12382 
12383  def create_dihedrals(self, bonds):
12384  """create_dihedrals(CHARMMParameters self, IMP::Particles bonds) -> IMP::Particles"""
12385  return _IMP_atom.CHARMMParameters_create_dihedrals(self, bonds)
12386 
12387 
12388  def get_version_info(self):
12389  """get_version_info(CHARMMParameters self) -> VersionInfo"""
12390  return _IMP_atom.CHARMMParameters_get_version_info(self)
12391 
12392 
12393  def __str__(self):
12394  """__str__(CHARMMParameters self) -> std::string"""
12395  return _IMP_atom.CHARMMParameters___str__(self)
12396 
12397 
12398  def __repr__(self):
12399  """__repr__(CHARMMParameters self) -> std::string"""
12400  return _IMP_atom.CHARMMParameters___repr__(self)
12401 
12402 
12403  @staticmethod
12404  def get_from(o):
12405  return _object_cast_to_CHARMMParameters(o)
12406 
12407 CHARMMParameters_swigregister = _IMP_atom.CHARMMParameters_swigregister
12408 CHARMMParameters_swigregister(CHARMMParameters)
12409 
12410 
12412  """get_heavy_atom_CHARMM_parameters() -> CHARMMParameters"""
12413  return _IMP_atom.get_heavy_atom_CHARMM_parameters()
12414 
12416  """get_all_atom_CHARMM_parameters() -> CHARMMParameters"""
12417  return _IMP_atom.get_all_atom_CHARMM_parameters()
12418 class CHARMMSegmentTopology(IMP.Object):
12419  """Proxy of C++ IMP::atom::CHARMMSegmentTopology class"""
12420  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12421  def __get_residues(self): return IMP._list_util.VarList(getdimfunc=self.get_number_of_residues, getfunc=self.get_residue, erasefunc=self.erase_residue, appendfunc=self.add_residue, extendfunc=self.add_residues, clearfunc=self.clear_residues, indexfunc=self._python_index_residue)
12422  def __set_residues(self, obj): IMP._list_util.set_varlist(self.residues, obj)
12423  def __del_residues(self): IMP._list_util.del_varlist(self.residues)
12424  residues = property(__get_residues, __set_residues, __del_residues, doc="List of ##ucnames")
12425 
12426  def remove_residue(self, d):
12427  """remove_residue(CHARMMSegmentTopology self, CHARMMResidueTopology d)"""
12428  return _IMP_atom.CHARMMSegmentTopology_remove_residue(self, d)
12429 
12430 
12431  def _python_index_residue(self, d, start, stop):
12432  """_python_index_residue(CHARMMSegmentTopology self, CHARMMResidueTopology d, unsigned int start, unsigned int stop) -> unsigned int"""
12433  return _IMP_atom.CHARMMSegmentTopology__python_index_residue(self, d, start, stop)
12434 
12435 
12436  def remove_residues(self, d):
12437  """remove_residues(CHARMMSegmentTopology self, IMP::atom::CHARMMResidueTopologies const & d)"""
12438  return _IMP_atom.CHARMMSegmentTopology_remove_residues(self, d)
12439 
12440 
12441  def set_residues(self, ps):
12442  """set_residues(CHARMMSegmentTopology self, IMP::atom::CHARMMResidueTopologies const & ps)"""
12443  return _IMP_atom.CHARMMSegmentTopology_set_residues(self, ps)
12444 
12445 
12446  def set_residues_order(self, objs):
12447  """set_residues_order(CHARMMSegmentTopology self, IMP::atom::CHARMMResidueTopologies const & objs)"""
12448  return _IMP_atom.CHARMMSegmentTopology_set_residues_order(self, objs)
12449 
12450 
12451  def add_residue(self, obj):
12452  """add_residue(CHARMMSegmentTopology self, CHARMMResidueTopology obj) -> unsigned int"""
12453  return _IMP_atom.CHARMMSegmentTopology_add_residue(self, obj)
12454 
12455 
12456  def add_residues(self, objs):
12457  """add_residues(CHARMMSegmentTopology self, IMP::atom::CHARMMResidueTopologies const & objs)"""
12458  return _IMP_atom.CHARMMSegmentTopology_add_residues(self, objs)
12459 
12460 
12461  def clear_residues(self):
12462  """clear_residues(CHARMMSegmentTopology self)"""
12463  return _IMP_atom.CHARMMSegmentTopology_clear_residues(self)
12464 
12465 
12466  def get_number_of_residues(self):
12467  """get_number_of_residues(CHARMMSegmentTopology self) -> unsigned int"""
12468  return _IMP_atom.CHARMMSegmentTopology_get_number_of_residues(self)
12469 
12470 
12471  def get_has_residues(self):
12472  """get_has_residues(CHARMMSegmentTopology self) -> bool"""
12473  return _IMP_atom.CHARMMSegmentTopology_get_has_residues(self)
12474 
12475 
12476  def get_residue(self, i):
12477  """get_residue(CHARMMSegmentTopology self, unsigned int i) -> CHARMMResidueTopology"""
12478  return _IMP_atom.CHARMMSegmentTopology_get_residue(self, i)
12479 
12480 
12481  def get_residues(self):
12482  """get_residues(CHARMMSegmentTopology self) -> IMP::atom::CHARMMResidueTopologies"""
12483  return _IMP_atom.CHARMMSegmentTopology_get_residues(self)
12484 
12485 
12486  def erase_residue(self, i):
12487  """erase_residue(CHARMMSegmentTopology self, unsigned int i)"""
12488  return _IMP_atom.CHARMMSegmentTopology_erase_residue(self, i)
12489 
12490 
12491  def reserve_residues(self, sz):
12492  """reserve_residues(CHARMMSegmentTopology self, unsigned int sz)"""
12493  return _IMP_atom.CHARMMSegmentTopology_reserve_residues(self, sz)
12494 
12495 
12496  def get_version_info(self):
12497  """get_version_info(CHARMMSegmentTopology self) -> VersionInfo"""
12498  return _IMP_atom.CHARMMSegmentTopology_get_version_info(self)
12499 
12500 
12501  def __init__(self, *args):
12502  """
12503  __init__(IMP::atom::CHARMMSegmentTopology self, std::string name) -> CHARMMSegmentTopology
12504  __init__(IMP::atom::CHARMMSegmentTopology self) -> CHARMMSegmentTopology
12505  """
12506  this = _IMP_atom.new_CHARMMSegmentTopology(*args)
12507  try:
12508  self.this.append(this)
12509  except:
12510  self.this = this
12511 
12512  def apply_default_patches(self, ff):
12513  """apply_default_patches(CHARMMSegmentTopology self, CHARMMParameters ff)"""
12514  return _IMP_atom.CHARMMSegmentTopology_apply_default_patches(self, ff)
12515 
12516 
12517  def __str__(self):
12518  """__str__(CHARMMSegmentTopology self) -> std::string"""
12519  return _IMP_atom.CHARMMSegmentTopology___str__(self)
12520 
12521 
12522  def __repr__(self):
12523  """__repr__(CHARMMSegmentTopology self) -> std::string"""
12524  return _IMP_atom.CHARMMSegmentTopology___repr__(self)
12525 
12526 
12527  @staticmethod
12528  def get_from(o):
12529  return _object_cast_to_CHARMMSegmentTopology(o)
12530 
12531 CHARMMSegmentTopology_swigregister = _IMP_atom.CHARMMSegmentTopology_swigregister
12532 CHARMMSegmentTopology_swigregister(CHARMMSegmentTopology)
12533 
12534 class CHARMMTopology(IMP.Object):
12535  """Proxy of C++ IMP::atom::CHARMMTopology class"""
12536  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12537 
12538  def __init__(self, *args):
12539  """
12540  __init__(IMP::atom::CHARMMTopology self, CHARMMParameters force_field, std::string name) -> CHARMMTopology
12541  __init__(IMP::atom::CHARMMTopology self, CHARMMParameters force_field) -> CHARMMTopology
12542  """
12543  this = _IMP_atom.new_CHARMMTopology(*args)
12544  try:
12545  self.this.append(this)
12546  except:
12547  self.this = this
12548 
12549  def get_parameters(self):
12550  """get_parameters(CHARMMTopology self) -> CHARMMParameters"""
12551  return _IMP_atom.CHARMMTopology_get_parameters(self)
12552 
12553 
12554  def add_sequence(self, sequence):
12555  """add_sequence(CHARMMTopology self, std::string sequence)"""
12556  return _IMP_atom.CHARMMTopology_add_sequence(self, sequence)
12557 
12558 
12559  def apply_default_patches(self):
12560  """apply_default_patches(CHARMMTopology self)"""
12561  return _IMP_atom.CHARMMTopology_apply_default_patches(self)
12562 
12563 
12564  def create_hierarchy(self, model):
12565  """create_hierarchy(CHARMMTopology self, Model model) -> Hierarchy"""
12566  return _IMP_atom.CHARMMTopology_create_hierarchy(self, model)
12567 
12568 
12569  def add_atom_types(self, hierarchy):
12570  """add_atom_types(CHARMMTopology self, Hierarchy hierarchy)"""
12571  return _IMP_atom.CHARMMTopology_add_atom_types(self, hierarchy)
12572 
12573 
12574  def add_coordinates(self, hierarchy):
12575  """add_coordinates(CHARMMTopology self, Hierarchy hierarchy)"""
12576  return _IMP_atom.CHARMMTopology_add_coordinates(self, hierarchy)
12577 
12578 
12579  def add_missing_atoms(self, hierarchy):
12580  """add_missing_atoms(CHARMMTopology self, Hierarchy hierarchy)"""
12581  return _IMP_atom.CHARMMTopology_add_missing_atoms(self, hierarchy)
12582 
12583 
12584  def setup_hierarchy(self, hierarchy):
12585  """setup_hierarchy(CHARMMTopology self, Hierarchy hierarchy)"""
12586  return _IMP_atom.CHARMMTopology_setup_hierarchy(self, hierarchy)
12587 
12588 
12589  def add_charges(self, hierarchy):
12590  """add_charges(CHARMMTopology self, Hierarchy hierarchy)"""
12591  return _IMP_atom.CHARMMTopology_add_charges(self, hierarchy)
12592 
12593 
12594  def add_bonds(self, hierarchy):
12595  """add_bonds(CHARMMTopology self, Hierarchy hierarchy) -> IMP::Particles"""
12596  return _IMP_atom.CHARMMTopology_add_bonds(self, hierarchy)
12597 
12598 
12599  def add_dihedrals(self, hierarchy):
12600  """add_dihedrals(CHARMMTopology self, Hierarchy hierarchy) -> IMP::Particles"""
12601  return _IMP_atom.CHARMMTopology_add_dihedrals(self, hierarchy)
12602 
12603 
12604  def add_impropers(self, hierarchy):
12605  """add_impropers(CHARMMTopology self, Hierarchy hierarchy) -> IMP::Particles"""
12606  return _IMP_atom.CHARMMTopology_add_impropers(self, hierarchy)
12607 
12608  def __get_segments(self): return IMP._list_util.VarList(getdimfunc=self.get_number_of_segments, getfunc=self.get_segment, erasefunc=self.erase_segment, appendfunc=self.add_segment, extendfunc=self.add_segments, clearfunc=self.clear_segments, indexfunc=self._python_index_segment)
12609  def __set_segments(self, obj): IMP._list_util.set_varlist(self.segments, obj)
12610  def __del_segments(self): IMP._list_util.del_varlist(self.segments)
12611  segments = property(__get_segments, __set_segments, __del_segments, doc="List of ##ucnames")
12612 
12613  def remove_segment(self, d):
12614  """remove_segment(CHARMMTopology self, CHARMMSegmentTopology d)"""
12615  return _IMP_atom.CHARMMTopology_remove_segment(self, d)
12616 
12617 
12618  def _python_index_segment(self, d, start, stop):
12619  """_python_index_segment(CHARMMTopology self, CHARMMSegmentTopology d, unsigned int start, unsigned int stop) -> unsigned int"""
12620  return _IMP_atom.CHARMMTopology__python_index_segment(self, d, start, stop)
12621 
12622 
12623  def remove_segments(self, d):
12624  """remove_segments(CHARMMTopology self, IMP::atom::CHARMMSegmentTopologies const & d)"""
12625  return _IMP_atom.CHARMMTopology_remove_segments(self, d)
12626 
12627 
12628  def set_segments(self, ps):
12629  """set_segments(CHARMMTopology self, IMP::atom::CHARMMSegmentTopologies const & ps)"""
12630  return _IMP_atom.CHARMMTopology_set_segments(self, ps)
12631 
12632 
12633  def set_segments_order(self, objs):
12634  """set_segments_order(CHARMMTopology self, IMP::atom::CHARMMSegmentTopologies const & objs)"""
12635  return _IMP_atom.CHARMMTopology_set_segments_order(self, objs)
12636 
12637 
12638  def add_segment(self, obj):
12639  """add_segment(CHARMMTopology self, CHARMMSegmentTopology obj) -> unsigned int"""
12640  return _IMP_atom.CHARMMTopology_add_segment(self, obj)
12641 
12642 
12643  def add_segments(self, objs):
12644  """add_segments(CHARMMTopology self, IMP::atom::CHARMMSegmentTopologies const & objs)"""
12645  return _IMP_atom.CHARMMTopology_add_segments(self, objs)
12646 
12647 
12648  def clear_segments(self):
12649  """clear_segments(CHARMMTopology self)"""
12650  return _IMP_atom.CHARMMTopology_clear_segments(self)
12651 
12652 
12653  def get_number_of_segments(self):
12654  """get_number_of_segments(CHARMMTopology self) -> unsigned int"""
12655  return _IMP_atom.CHARMMTopology_get_number_of_segments(self)
12656 
12657 
12658  def get_has_segments(self):
12659  """get_has_segments(CHARMMTopology self) -> bool"""
12660  return _IMP_atom.CHARMMTopology_get_has_segments(self)
12661 
12662 
12663  def get_segment(self, i):
12664  """get_segment(CHARMMTopology self, unsigned int i) -> CHARMMSegmentTopology"""
12665  return _IMP_atom.CHARMMTopology_get_segment(self, i)
12666 
12667 
12668  def get_segments(self):
12669  """get_segments(CHARMMTopology self) -> IMP::atom::CHARMMSegmentTopologies"""
12670  return _IMP_atom.CHARMMTopology_get_segments(self)
12671 
12672 
12673  def erase_segment(self, i):
12674  """erase_segment(CHARMMTopology self, unsigned int i)"""
12675  return _IMP_atom.CHARMMTopology_erase_segment(self, i)
12676 
12677 
12678  def reserve_segments(self, sz):
12679  """reserve_segments(CHARMMTopology self, unsigned int sz)"""
12680  return _IMP_atom.CHARMMTopology_reserve_segments(self, sz)
12681 
12682 
12683  def get_version_info(self):
12684  """get_version_info(CHARMMTopology self) -> VersionInfo"""
12685  return _IMP_atom.CHARMMTopology_get_version_info(self)
12686 
12687 
12688  def __str__(self):
12689  """__str__(CHARMMTopology self) -> std::string"""
12690  return _IMP_atom.CHARMMTopology___str__(self)
12691 
12692 
12693  def __repr__(self):
12694  """__repr__(CHARMMTopology self) -> std::string"""
12695  return _IMP_atom.CHARMMTopology___repr__(self)
12696 
12697 
12698  @staticmethod
12699  def get_from(o):
12700  return _object_cast_to_CHARMMTopology(o)
12701 
12702 CHARMMTopology_swigregister = _IMP_atom.CHARMMTopology_swigregister
12703 CHARMMTopology_swigregister(CHARMMTopology)
12704 
12705 class CHARMMStereochemistryRestraint(IMP.Restraint):
12706  """Proxy of C++ IMP::atom::CHARMMStereochemistryRestraint class"""
12707  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12708 
12709  def __init__(self, *args):
12710  """
12711  __init__(IMP::atom::CHARMMStereochemistryRestraint self, Hierarchy h, CHARMMTopology topology) -> CHARMMStereochemistryRestraint
12712  __init__(IMP::atom::CHARMMStereochemistryRestraint self, Hierarchy h, CHARMMTopology topology, IMP::ParticlesTemp limit_to_these_particles) -> CHARMMStereochemistryRestraint
12713  """
12714  this = _IMP_atom.new_CHARMMStereochemistryRestraint(*args)
12715  try:
12716  self.this.append(this)
12717  except:
12718  self.this = this
12719 
12720  def get_pair_filter(self):
12721  """get_pair_filter(CHARMMStereochemistryRestraint self) -> StereochemistryPairFilter"""
12722  return _IMP_atom.CHARMMStereochemistryRestraint_get_pair_filter(self)
12723 
12724 
12725  def get_full_pair_filter(self):
12726  """get_full_pair_filter(CHARMMStereochemistryRestraint self) -> StereochemistryPairFilter"""
12727  return _IMP_atom.CHARMMStereochemistryRestraint_get_full_pair_filter(self)
12728 
12729 
12730  def do_get_inputs(self):
12731  """do_get_inputs(CHARMMStereochemistryRestraint self) -> IMP::ModelObjectsTemp"""
12732  return _IMP_atom.CHARMMStereochemistryRestraint_do_get_inputs(self)
12733 
12734 
12735  def get_version_info(self):
12736  """get_version_info(CHARMMStereochemistryRestraint self) -> VersionInfo"""
12737  return _IMP_atom.CHARMMStereochemistryRestraint_get_version_info(self)
12738 
12739 
12740  def __str__(self):
12741  """__str__(CHARMMStereochemistryRestraint self) -> std::string"""
12742  return _IMP_atom.CHARMMStereochemistryRestraint___str__(self)
12743 
12744 
12745  def __repr__(self):
12746  """__repr__(CHARMMStereochemistryRestraint self) -> std::string"""
12747  return _IMP_atom.CHARMMStereochemistryRestraint___repr__(self)
12748 
12749 
12750  @staticmethod
12751  def get_from(o):
12752  return _object_cast_to_CHARMMStereochemistryRestraint(o)
12753 
12754 CHARMMStereochemistryRestraint_swigregister = _IMP_atom.CHARMMStereochemistryRestraint_swigregister
12755 CHARMMStereochemistryRestraint_swigregister(CHARMMStereochemistryRestraint)
12756 
12757 
12758 def add_bonds(*args):
12759  """
12760  add_bonds(Hierarchy d, ForceFieldParameters ffp)
12761  add_bonds(Hierarchy d)
12762  """
12763  return _IMP_atom.add_bonds(*args)
12764 
12765 def add_radii(*args):
12766  """
12767  add_radii(Hierarchy d, ForceFieldParameters ffp, FloatKey radius_key)
12768  add_radii(Hierarchy d, ForceFieldParameters ffp)
12769  add_radii(Hierarchy d)
12770  """
12771  return _IMP_atom.add_radii(*args)
12772 
12773 _IMP_atom.ALBER_swigconstant(_IMP_atom)
12774 ALBER = _IMP_atom.ALBER
12775 
12776 _IMP_atom.HARPAZ_swigconstant(_IMP_atom)
12777 HARPAZ = _IMP_atom.HARPAZ
12778 
12779 _IMP_atom.ANDERSSON_swigconstant(_IMP_atom)
12780 ANDERSSON = _IMP_atom.ANDERSSON
12781 
12782 _IMP_atom.TSAI_swigconstant(_IMP_atom)
12783 TSAI = _IMP_atom.TSAI
12784 
12785 _IMP_atom.QUILLIN_swigconstant(_IMP_atom)
12786 QUILLIN = _IMP_atom.QUILLIN
12787 
12788 _IMP_atom.SQUIRE_swigconstant(_IMP_atom)
12789 SQUIRE = _IMP_atom.SQUIRE
12790 
12791 def get_protein_density_from_reference(densityReference):
12792  """get_protein_density_from_reference(IMP::atom::ProteinDensityReference densityReference) -> double"""
12793  return _IMP_atom.get_protein_density_from_reference(densityReference)
12794 
12795 def get_volume_from_mass(*args):
12796  """
12797  get_volume_from_mass(double m, IMP::atom::ProteinDensityReference ref) -> double
12798  get_volume_from_mass(double m) -> double
12799  """
12800  return _IMP_atom.get_volume_from_mass(*args)
12801 
12802 def get_mass_from_volume(*args):
12803  """
12804  get_mass_from_volume(double v, IMP::atom::ProteinDensityReference ref) -> double
12805  get_mass_from_volume(double v) -> double
12806  """
12807  return _IMP_atom.get_mass_from_volume(*args)
12808 
12810  """get_mass_from_number_of_residues(unsigned int num_aa) -> double"""
12811  return _IMP_atom.get_mass_from_number_of_residues(num_aa)
12812 
12814  """get_volume_from_residue_type(ResidueType rt) -> double"""
12815  return _IMP_atom.get_volume_from_residue_type(rt)
12816 
12817 def get_molarity(n, volume):
12818  """get_molarity(double n, double volume) -> double"""
12819  return _IMP_atom.get_molarity(n, volume)
12820 
12821 def get_kd(na, nb, nab, volume):
12822  """get_kd(double na, double nb, double nab, double volume) -> double"""
12823  return _IMP_atom.get_kd(na, nb, nab, volume)
12824 
12825 def get_einstein_diffusion_coefficient(r, temp=-1):
12826  """
12827  get_einstein_diffusion_coefficient(double r, double temp=-1) -> double
12828  get_einstein_diffusion_coefficient(double r) -> double
12829  """
12830  return _IMP_atom.get_einstein_diffusion_coefficient(r, temp)
12831 
12833  """
12834  get_einstein_rotational_diffusion_coefficient(double r, double temp=-1) -> double
12835  get_einstein_rotational_diffusion_coefficient(double r) -> double
12836  """
12837  return _IMP_atom.get_einstein_rotational_diffusion_coefficient(r, temp)
12838 
12839 def get_diffusion_length(*args):
12840  """
12841  get_diffusion_length(double D, double t) -> double
12842  get_diffusion_length(double D, double force, double t, double temp=-1) -> double
12843  get_diffusion_length(double D, double force, double t) -> double
12844  """
12845  return _IMP_atom.get_diffusion_length(*args)
12846 
12847 def get_diffusion_angle(D, dtfs):
12848  """get_diffusion_angle(double D, double dtfs) -> double"""
12849  return _IMP_atom.get_diffusion_angle(D, dtfs)
12850 
12851 def get_diffusion_coefficient(*args):
12852  """
12853  get_diffusion_coefficient(IMP::algebra::Vector3Ds const & displacements, double dt) -> double
12854  get_diffusion_coefficient(IMP::algebra::Vector3Ds const & displacements, IMP::Floats const & dts) -> double
12855  """
12856  return _IMP_atom.get_diffusion_coefficient(*args)
12857 
12858 def get_rotational_diffusion_coefficient(orientations, dt):
12859  """get_rotational_diffusion_coefficient(IMP::algebra::Rotation3Ds const & orientations, double dt) -> double"""
12860  return _IMP_atom.get_rotational_diffusion_coefficient(orientations, dt)
12861 
12862 def get_energy_in_femto_joules(energy_in_kcal_per_mol):
12863  """get_energy_in_femto_joules(double energy_in_kcal_per_mol) -> double"""
12864  return _IMP_atom.get_energy_in_femto_joules(energy_in_kcal_per_mol)
12865 
12866 def get_force_in_femto_newtons(force_in_kcal_per_mol_per_angstrom):
12867  """get_force_in_femto_newtons(double force_in_kcal_per_mol_per_angstrom) -> double"""
12868  return _IMP_atom.get_force_in_femto_newtons(force_in_kcal_per_mol_per_angstrom)
12869 
12870 def get_spring_constant_in_femto_newtons_per_angstrom(k_in_kcal_per_mol_per_angstrom_square):
12871  """get_spring_constant_in_femto_newtons_per_angstrom(double k_in_kcal_per_mol_per_angstrom_square) -> double"""
12872  return _IMP_atom.get_spring_constant_in_femto_newtons_per_angstrom(k_in_kcal_per_mol_per_angstrom_square)
12873 class EzRestraint(IMP.Restraint):
12874  """Proxy of C++ IMP::atom::EzRestraint class"""
12875  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12876 
12877  def __init__(self, m, ps):
12878  """__init__(IMP::atom::EzRestraint self, Model m, _ParticleIndexesAdaptor ps) -> EzRestraint"""
12879  this = _IMP_atom.new_EzRestraint(m, ps)
12880  try:
12881  self.this.append(this)
12882  except:
12883  self.this = this
12884 
12885  def get_version_info(self):
12886  """get_version_info(EzRestraint self) -> VersionInfo"""
12887  return _IMP_atom.EzRestraint_get_version_info(self)
12888 
12889 
12890  def __str__(self):
12891  """__str__(EzRestraint self) -> std::string"""
12892  return _IMP_atom.EzRestraint___str__(self)
12893 
12894 
12895  def __repr__(self):
12896  """__repr__(EzRestraint self) -> std::string"""
12897  return _IMP_atom.EzRestraint___repr__(self)
12898 
12899 
12900  @staticmethod
12901  def get_from(o):
12902  return _object_cast_to_EzRestraint(o)
12903 
12904 EzRestraint_swigregister = _IMP_atom.EzRestraint_swigregister
12905 EzRestraint_swigregister(EzRestraint)
12906 
12907 
12908 def create_protein(*args):
12909  """
12910  create_protein(Model m, std::string name, double target_radius, int number_of_residues, int first_residue_index=0, double volume=-1, bool ismol=True) -> Hierarchy
12911  create_protein(Model m, std::string name, double target_radius, int number_of_residues, int first_residue_index=0, double volume=-1) -> Hierarchy
12912  create_protein(Model m, std::string name, double target_radius, int number_of_residues, int first_residue_index=0) -> Hierarchy
12913  create_protein(Model m, std::string name, double target_radius, int number_of_residues) -> Hierarchy
12914  create_protein(Model m, std::string name, double target_radius, IMP::Ints const domain_boundaries) -> Hierarchy
12915  """
12916  return _IMP_atom.create_protein(*args)
12917 
12919  """
12920  create_simplified_along_backbone(Hierarchy input, int num_res, bool keep_detailed=False) -> Hierarchy
12921  create_simplified_along_backbone(Hierarchy input, int num_res) -> Hierarchy
12922  create_simplified_along_backbone(Chain input, IMP::IntRanges const & residue_segments, bool keep_detailed=False) -> Hierarchy
12923  create_simplified_along_backbone(Chain input, IMP::IntRanges const & residue_segments) -> Hierarchy
12924  """
12925  return _IMP_atom.create_simplified_along_backbone(*args)
12926 
12927 def create_simplified_from_volume(h, resolution):
12928  """create_simplified_from_volume(Hierarchy h, double resolution) -> Hierarchy"""
12929  return _IMP_atom.create_simplified_from_volume(h, resolution)
12930 
12931 def create_simplified_assembly_from_volume(h, resolution):
12932  """create_simplified_assembly_from_volume(Hierarchy h, double resolution) -> Hierarchy"""
12933  return _IMP_atom.create_simplified_assembly_from_volume(h, resolution)
12934 
12935 def get_residue_indexes(h):
12936  """get_residue_indexes(Hierarchy h) -> IMP::Ints"""
12937  return _IMP_atom.get_residue_indexes(h)
12938 
12939 def get_residue_type(*args):
12940  """
12941  get_residue_type(char c) -> ResidueType
12942  get_residue_type(Hierarchy h) -> ResidueType
12943  """
12944  return _IMP_atom.get_residue_type(*args)
12945 
12946 def get_atom_type(h):
12947  """get_atom_type(Hierarchy h) -> AtomType"""
12948  return _IMP_atom.get_atom_type(h)
12949 
12950 def get_domain_name(h):
12951  """get_domain_name(Hierarchy h) -> std::string"""
12952  return _IMP_atom.get_domain_name(h)
12953 
12955  """
12956  create_excluded_volume_restraint(IMP::atom::Selections const & s) -> Restraint
12957  create_excluded_volume_restraint(IMP::atom::Hierarchies const & hs, double resolution=-1) -> Restraint
12958  create_excluded_volume_restraint(IMP::atom::Hierarchies const & hs) -> Restraint
12959  """
12960  return _IMP_atom.create_excluded_volume_restraint(*args)
12961 
12962 def setup_as_approximation(*args):
12963  """
12964  setup_as_approximation(Particle h, IMP::ParticlesTemp const & other, double resolution=-1)
12965  setup_as_approximation(Particle h, IMP::ParticlesTemp const & other)
12966  setup_as_approximation(Hierarchy h, double resolution=-1)
12967  setup_as_approximation(Hierarchy h)
12968  """
12969  return _IMP_atom.setup_as_approximation(*args)
12970 class _HierarchyTreeVertexIndex(object):
12971  """Proxy of C++ IMP::atom::HierarchyTreeVertexIndex class"""
12972  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12973  __repr__ = _swig_repr
12974 
12975  def __init__(self):
12976  """__init__(IMP::atom::HierarchyTreeVertexIndex self) -> _HierarchyTreeVertexIndex"""
12977  this = _IMP_atom.new__HierarchyTreeVertexIndex()
12978  try:
12979  self.this.append(this)
12980  except:
12981  self.this = this
12982  __swig_destroy__ = _IMP_atom.delete__HierarchyTreeVertexIndex
12983  __del__ = lambda self: None
12984 _HierarchyTreeVertexIndex_swigregister = _IMP_atom._HierarchyTreeVertexIndex_swigregister
12985 _HierarchyTreeVertexIndex_swigregister(_HierarchyTreeVertexIndex)
12986 
12987 
12988 def show_as_graphviz(name, out):
12989  """show_as_graphviz(IMP::atom::HierarchyTree const & name, TextOutput out)"""
12990  return _IMP_atom.show_as_graphviz(name, out)
12991 
12992 def get_vertex_index(g):
12993  """get_vertex_index(IMP::atom::HierarchyTree const & g) -> _HierarchyTreeVertexIndex"""
12994  return _IMP_atom.get_vertex_index(g)
12995 
12996 def get_hierarchy_tree(h):
12997  """get_hierarchy_tree(Hierarchy h) -> IMP::atom::HierarchyTree"""
12998  return _IMP_atom.get_hierarchy_tree(h)
12999 class HierarchyGeometry(IMP.display.SingletonGeometry):
13000  """Proxy of C++ IMP::atom::HierarchyGeometry class"""
13001  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13002 
13003  def __init__(self, d, resolution=0):
13004  """
13005  __init__(IMP::atom::HierarchyGeometry self, Hierarchy d, double resolution=0) -> HierarchyGeometry
13006  __init__(IMP::atom::HierarchyGeometry self, Hierarchy d) -> HierarchyGeometry
13007  """
13008  this = _IMP_atom.new_HierarchyGeometry(d, resolution)
13009  try:
13010  self.this.append(this)
13011  except:
13012  self.this = this
13013 
13014  def get_version_info(self):
13015  """get_version_info(HierarchyGeometry self) -> VersionInfo"""
13016  return _IMP_atom.HierarchyGeometry_get_version_info(self)
13017 
13018 
13019  def __str__(self):
13020  """__str__(HierarchyGeometry self) -> std::string"""
13021  return _IMP_atom.HierarchyGeometry___str__(self)
13022 
13023 
13024  def __repr__(self):
13025  """__repr__(HierarchyGeometry self) -> std::string"""
13026  return _IMP_atom.HierarchyGeometry___repr__(self)
13027 
13028 
13029  @staticmethod
13030  def get_from(o):
13031  return _object_cast_to_HierarchyGeometry(o)
13032 
13033 HierarchyGeometry_swigregister = _IMP_atom.HierarchyGeometry_swigregister
13034 HierarchyGeometry_swigregister(HierarchyGeometry)
13035 
13036 class HierarchiesGeometry(IMP.display.SingletonsGeometry):
13037  """Proxy of C++ IMP::atom::HierarchiesGeometry class"""
13038  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13039 
13040  def __init__(self, sc, resolution=-1):
13041  """
13042  __init__(IMP::atom::HierarchiesGeometry self, SingletonContainer sc, double resolution=-1) -> HierarchiesGeometry
13043  __init__(IMP::atom::HierarchiesGeometry self, SingletonContainer sc) -> HierarchiesGeometry
13044  """
13045  this = _IMP_atom.new_HierarchiesGeometry(sc, resolution)
13046  try:
13047  self.this.append(this)
13048  except:
13049  self.this = this
13050 
13051  def get_version_info(self):
13052  """get_version_info(HierarchiesGeometry self) -> VersionInfo"""
13053  return _IMP_atom.HierarchiesGeometry_get_version_info(self)
13054 
13055 
13056  def __str__(self):
13057  """__str__(HierarchiesGeometry self) -> std::string"""
13058  return _IMP_atom.HierarchiesGeometry___str__(self)
13059 
13060 
13061  def __repr__(self):
13062  """__repr__(HierarchiesGeometry self) -> std::string"""
13063  return _IMP_atom.HierarchiesGeometry___repr__(self)
13064 
13065 
13066  @staticmethod
13067  def get_from(o):
13068  return _object_cast_to_HierarchiesGeometry(o)
13069 
13070 HierarchiesGeometry_swigregister = _IMP_atom.HierarchiesGeometry_swigregister
13071 HierarchiesGeometry_swigregister(HierarchiesGeometry)
13072 
13073 
13074 def transform(*args):
13075  """
13076  transform(Hierarchy h, Transformation3D tr)
13077  transform(Hierarchy h, Transformation3D tr)
13078  """
13079  return _IMP_atom.transform(*args)
13080 class DopePairScore(_ADopeBase):
13081  """Proxy of C++ IMP::atom::DopePairScore class"""
13082  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13083 
13084  def __init__(self, *args):
13085  """
13086  __init__(IMP::atom::DopePairScore self, double threshold) -> DopePairScore
13087  __init__(IMP::atom::DopePairScore self) -> DopePairScore
13088  __init__(IMP::atom::DopePairScore self, double threshold, TextInput data_file) -> DopePairScore
13089  """
13090  this = _IMP_atom.new_DopePairScore(*args)
13091  try:
13092  self.this.append(this)
13093  except:
13094  self.this = this
13095 
13096  def __str__(self):
13097  """__str__(DopePairScore self) -> std::string"""
13098  return _IMP_atom.DopePairScore___str__(self)
13099 
13100 
13101  def __repr__(self):
13102  """__repr__(DopePairScore self) -> std::string"""
13103  return _IMP_atom.DopePairScore___repr__(self)
13104 
13105 
13106  @staticmethod
13107  def get_from(o):
13108  return _object_cast_to_DopePairScore(o)
13109 
13110  __swig_destroy__ = _IMP_atom.delete_DopePairScore
13111  __del__ = lambda self: None
13112 DopePairScore_swigregister = _IMP_atom.DopePairScore_swigregister
13113 DopePairScore_swigregister(DopePairScore)
13114 
13115 
13116 def add_dope_score_data(h):
13117  """add_dope_score_data(Hierarchy h)"""
13118  return _IMP_atom.add_dope_score_data(h)
13119 class LoopStatisticalPairScore(_ALoopStatisticalBase):
13120  """Proxy of C++ IMP::atom::LoopStatisticalPairScore class"""
13121  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13122 
13123  def __init__(self, *args):
13124  """
13125  __init__(IMP::atom::LoopStatisticalPairScore self, double threshold) -> LoopStatisticalPairScore
13126  __init__(IMP::atom::LoopStatisticalPairScore self) -> LoopStatisticalPairScore
13127  __init__(IMP::atom::LoopStatisticalPairScore self, double threshold, TextInput data_file) -> LoopStatisticalPairScore
13128  """
13129  this = _IMP_atom.new_LoopStatisticalPairScore(*args)
13130  try:
13131  self.this.append(this)
13132  except:
13133  self.this = this
13134 
13135  def __str__(self):
13136  """__str__(LoopStatisticalPairScore self) -> std::string"""
13137  return _IMP_atom.LoopStatisticalPairScore___str__(self)
13138 
13139 
13140  def __repr__(self):
13141  """__repr__(LoopStatisticalPairScore self) -> std::string"""
13142  return _IMP_atom.LoopStatisticalPairScore___repr__(self)
13143 
13144 
13145  @staticmethod
13146  def get_from(o):
13147  return _object_cast_to_LoopStatisticalPairScore(o)
13148 
13149  __swig_destroy__ = _IMP_atom.delete_LoopStatisticalPairScore
13150  __del__ = lambda self: None
13151 LoopStatisticalPairScore_swigregister = _IMP_atom.LoopStatisticalPairScore_swigregister
13152 LoopStatisticalPairScore_swigregister(LoopStatisticalPairScore)
13153 
13154 
13156  """add_loop_statistical_score_data(Hierarchy h)"""
13157  return _IMP_atom.add_loop_statistical_score_data(h)
13158 class OrientedSoapPairScore(_OrientedSoapBase):
13159  """Proxy of C++ IMP::atom::OrientedSoapPairScore class"""
13160  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13161 
13162  def __init__(self, library):
13163  """__init__(IMP::atom::OrientedSoapPairScore self, std::string library) -> OrientedSoapPairScore"""
13164  this = _IMP_atom.new_OrientedSoapPairScore(library)
13165  try:
13166  self.this.append(this)
13167  except:
13168  self.this = this
13169 
13170  def get_pair_filter(self):
13171  """get_pair_filter(OrientedSoapPairScore self) -> SoapPairFilter"""
13172  return _IMP_atom.OrientedSoapPairScore_get_pair_filter(self)
13173 
13174 
13175  def __str__(self):
13176  """__str__(OrientedSoapPairScore self) -> std::string"""
13177  return _IMP_atom.OrientedSoapPairScore___str__(self)
13178 
13179 
13180  def __repr__(self):
13181  """__repr__(OrientedSoapPairScore self) -> std::string"""
13182  return _IMP_atom.OrientedSoapPairScore___repr__(self)
13183 
13184 
13185  @staticmethod
13186  def get_from(o):
13187  return _object_cast_to_OrientedSoapPairScore(o)
13188 
13189  __swig_destroy__ = _IMP_atom.delete_OrientedSoapPairScore
13190  __del__ = lambda self: None
13191 OrientedSoapPairScore_swigregister = _IMP_atom.OrientedSoapPairScore_swigregister
13192 OrientedSoapPairScore_swigregister(OrientedSoapPairScore)
13193 
13194 class SameResiduePairFilter(IMP.PairPredicate):
13195  """Proxy of C++ IMP::atom::SameResiduePairFilter class"""
13196  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13197 
13198  def __init__(self):
13199  """__init__(IMP::atom::SameResiduePairFilter self) -> SameResiduePairFilter"""
13200  this = _IMP_atom.new_SameResiduePairFilter()
13201  try:
13202  self.this.append(this)
13203  except:
13204  self.this = this
13205 
13206  def do_get_inputs(self, m, pis):
13207  """do_get_inputs(SameResiduePairFilter self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13208  return _IMP_atom.SameResiduePairFilter_do_get_inputs(self, m, pis)
13209 
13210 
13211  def get_value(self, *args):
13212  """
13213  get_value(SameResiduePairFilter self, IMP::ParticlePair const & a) -> int
13214  get_value(SameResiduePairFilter self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
13215  """
13216  return _IMP_atom.SameResiduePairFilter_get_value(self, *args)
13217 
13218 
13219  def get_value_index(self, *args):
13220  """
13221  get_value_index(SameResiduePairFilter self, Model m, IMP::ParticleIndexPair const & p) -> int
13222  get_value_index(SameResiduePairFilter self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
13223  """
13224  return _IMP_atom.SameResiduePairFilter_get_value_index(self, *args)
13225 
13226 
13227  def get_version_info(self):
13228  """get_version_info(SameResiduePairFilter self) -> VersionInfo"""
13229  return _IMP_atom.SameResiduePairFilter_get_version_info(self)
13230 
13231 
13232  def __str__(self):
13233  """__str__(SameResiduePairFilter self) -> std::string"""
13234  return _IMP_atom.SameResiduePairFilter___str__(self)
13235 
13236 
13237  def __repr__(self):
13238  """__repr__(SameResiduePairFilter self) -> std::string"""
13239  return _IMP_atom.SameResiduePairFilter___repr__(self)
13240 
13241 
13242  @staticmethod
13243  def get_from(o):
13244  return _object_cast_to_SameResiduePairFilter(o)
13245 
13246 SameResiduePairFilter_swigregister = _IMP_atom.SameResiduePairFilter_swigregister
13247 SameResiduePairFilter_swigregister(SameResiduePairFilter)
13248 
13249 class RemoveRigidMotionOptimizerState(IMP.OptimizerState):
13250  """Proxy of C++ IMP::atom::RemoveRigidMotionOptimizerState class"""
13251  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13252 
13253  def __init__(self, m, pis):
13254  """__init__(IMP::atom::RemoveRigidMotionOptimizerState self, Model m, _ParticleIndexesAdaptor pis) -> RemoveRigidMotionOptimizerState"""
13255  this = _IMP_atom.new_RemoveRigidMotionOptimizerState(m, pis)
13256  try:
13257  self.this.append(this)
13258  except:
13259  self.this = this
13260 
13261  def set_particles(self, pis):
13262  """set_particles(RemoveRigidMotionOptimizerState self, IMP::Particles const & pis)"""
13263  return _IMP_atom.RemoveRigidMotionOptimizerState_set_particles(self, pis)
13264 
13265 
13266  def remove_rigid_motion(self):
13267  """remove_rigid_motion(RemoveRigidMotionOptimizerState self)"""
13268  return _IMP_atom.RemoveRigidMotionOptimizerState_remove_rigid_motion(self)
13269 
13270 
13271  def get_version_info(self):
13272  """get_version_info(RemoveRigidMotionOptimizerState self) -> VersionInfo"""
13273  return _IMP_atom.RemoveRigidMotionOptimizerState_get_version_info(self)
13274 
13275 
13276  def __str__(self):
13277  """__str__(RemoveRigidMotionOptimizerState self) -> std::string"""
13278  return _IMP_atom.RemoveRigidMotionOptimizerState___str__(self)
13279 
13280 
13281  def __repr__(self):
13282  """__repr__(RemoveRigidMotionOptimizerState self) -> std::string"""
13283  return _IMP_atom.RemoveRigidMotionOptimizerState___repr__(self)
13284 
13285 
13286  @staticmethod
13287  def get_from(o):
13288  return _object_cast_to_RemoveRigidMotionOptimizerState(o)
13289 
13290 RemoveRigidMotionOptimizerState_swigregister = _IMP_atom.RemoveRigidMotionOptimizerState_swigregister
13291 RemoveRigidMotionOptimizerState_swigregister(RemoveRigidMotionOptimizerState)
13292 
13293 class BerendsenThermostatOptimizerState(IMP.OptimizerState):
13294  """Proxy of C++ IMP::atom::BerendsenThermostatOptimizerState class"""
13295  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13296 
13297  def __init__(self, pis, temperature, tau):
13298  """__init__(IMP::atom::BerendsenThermostatOptimizerState self, IMP::Particles const & pis, double temperature, double tau) -> BerendsenThermostatOptimizerState"""
13299  this = _IMP_atom.new_BerendsenThermostatOptimizerState(pis, temperature, tau)
13300  try:
13301  self.this.append(this)
13302  except:
13303  self.this = this
13304 
13305  def set_particles(self, pis):
13306  """set_particles(BerendsenThermostatOptimizerState self, IMP::Particles const & pis)"""
13307  return _IMP_atom.BerendsenThermostatOptimizerState_set_particles(self, pis)
13308 
13309 
13310  def get_temperature(self):
13311  """get_temperature(BerendsenThermostatOptimizerState self) -> double"""
13312  return _IMP_atom.BerendsenThermostatOptimizerState_get_temperature(self)
13313 
13314 
13315  def get_tau(self):
13316  """get_tau(BerendsenThermostatOptimizerState self) -> double"""
13317  return _IMP_atom.BerendsenThermostatOptimizerState_get_tau(self)
13318 
13319 
13320  def set_temperature(self, temperature):
13321  """set_temperature(BerendsenThermostatOptimizerState self, double temperature)"""
13322  return _IMP_atom.BerendsenThermostatOptimizerState_set_temperature(self, temperature)
13323 
13324 
13325  def set_tau(self, tau):
13326  """set_tau(BerendsenThermostatOptimizerState self, double tau)"""
13327  return _IMP_atom.BerendsenThermostatOptimizerState_set_tau(self, tau)
13328 
13329 
13330  def rescale_velocities(self):
13331  """rescale_velocities(BerendsenThermostatOptimizerState self)"""
13332  return _IMP_atom.BerendsenThermostatOptimizerState_rescale_velocities(self)
13333 
13334 
13335  def get_version_info(self):
13336  """get_version_info(BerendsenThermostatOptimizerState self) -> VersionInfo"""
13337  return _IMP_atom.BerendsenThermostatOptimizerState_get_version_info(self)
13338 
13339 
13340  def __str__(self):
13341  """__str__(BerendsenThermostatOptimizerState self) -> std::string"""
13342  return _IMP_atom.BerendsenThermostatOptimizerState___str__(self)
13343 
13344 
13345  def __repr__(self):
13346  """__repr__(BerendsenThermostatOptimizerState self) -> std::string"""
13347  return _IMP_atom.BerendsenThermostatOptimizerState___repr__(self)
13348 
13349 
13350  @staticmethod
13351  def get_from(o):
13352  return _object_cast_to_BerendsenThermostatOptimizerState(o)
13353 
13354 BerendsenThermostatOptimizerState_swigregister = _IMP_atom.BerendsenThermostatOptimizerState_swigregister
13355 BerendsenThermostatOptimizerState_swigregister(BerendsenThermostatOptimizerState)
13356 
13357 class LangevinThermostatOptimizerState(IMP.OptimizerState):
13358  """Proxy of C++ IMP::atom::LangevinThermostatOptimizerState class"""
13359  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13360 
13361  def __init__(self, m, pis, temperature, gamma):
13362  """__init__(IMP::atom::LangevinThermostatOptimizerState self, Model m, _ParticleIndexesAdaptor pis, double temperature, double gamma) -> LangevinThermostatOptimizerState"""
13363  this = _IMP_atom.new_LangevinThermostatOptimizerState(m, pis, temperature, gamma)
13364  try:
13365  self.this.append(this)
13366  except:
13367  self.this = this
13368 
13369  def set_particles(self, pis):
13370  """set_particles(LangevinThermostatOptimizerState self, IMP::Particles const & pis)"""
13371  return _IMP_atom.LangevinThermostatOptimizerState_set_particles(self, pis)
13372 
13373 
13374  def get_temperature(self):
13375  """get_temperature(LangevinThermostatOptimizerState self) -> double"""
13376  return _IMP_atom.LangevinThermostatOptimizerState_get_temperature(self)
13377 
13378 
13379  def get_gamma(self):
13380  """get_gamma(LangevinThermostatOptimizerState self) -> double"""
13381  return _IMP_atom.LangevinThermostatOptimizerState_get_gamma(self)
13382 
13383 
13384  def set_temperature(self, temperature):
13385  """set_temperature(LangevinThermostatOptimizerState self, double temperature)"""
13386  return _IMP_atom.LangevinThermostatOptimizerState_set_temperature(self, temperature)
13387 
13388 
13389  def set_gamma(self, gamma):
13390  """set_gamma(LangevinThermostatOptimizerState self, double gamma)"""
13391  return _IMP_atom.LangevinThermostatOptimizerState_set_gamma(self, gamma)
13392 
13393 
13394  def rescale_velocities(self):
13395  """rescale_velocities(LangevinThermostatOptimizerState self)"""
13396  return _IMP_atom.LangevinThermostatOptimizerState_rescale_velocities(self)
13397 
13398 
13399  def get_version_info(self):
13400  """get_version_info(LangevinThermostatOptimizerState self) -> VersionInfo"""
13401  return _IMP_atom.LangevinThermostatOptimizerState_get_version_info(self)
13402 
13403 
13404  def __str__(self):
13405  """__str__(LangevinThermostatOptimizerState self) -> std::string"""
13406  return _IMP_atom.LangevinThermostatOptimizerState___str__(self)
13407 
13408 
13409  def __repr__(self):
13410  """__repr__(LangevinThermostatOptimizerState self) -> std::string"""
13411  return _IMP_atom.LangevinThermostatOptimizerState___repr__(self)
13412 
13413 
13414  @staticmethod
13415  def get_from(o):
13416  return _object_cast_to_LangevinThermostatOptimizerState(o)
13417 
13418 LangevinThermostatOptimizerState_swigregister = _IMP_atom.LangevinThermostatOptimizerState_swigregister
13419 LangevinThermostatOptimizerState_swigregister(LangevinThermostatOptimizerState)
13420 
13421 class PDBSelector(IMP.Object):
13422  """Proxy of C++ IMP::atom::PDBSelector class"""
13423  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13424 
13425  def __init__(self, name):
13426  """__init__(IMP::atom::PDBSelector self, std::string name) -> PDBSelector"""
13427  if self.__class__ == PDBSelector:
13428  _self = None
13429  else:
13430  _self = self
13431  this = _IMP_atom.new_PDBSelector(_self, name)
13432  try:
13433  self.this.append(this)
13434  except:
13435  self.this = this
13436 
13437  if self.__class__ != PDBSelector:
13438  _director_objects.register(self)
13439 
13440 
13441 
13442 
13443  def get_is_selected(self, pdb_line):
13444  """get_is_selected(PDBSelector self, std::string const & pdb_line) -> bool"""
13445  return _IMP_atom.PDBSelector_get_is_selected(self, pdb_line)
13446 
13447  __swig_destroy__ = _IMP_atom.delete_PDBSelector
13448  __del__ = lambda self: None
13449 
13450  def __str__(self):
13451  """__str__(PDBSelector self) -> std::string"""
13452  return _IMP_atom.PDBSelector___str__(self)
13453 
13454 
13455  def __repr__(self):
13456  """__repr__(PDBSelector self) -> std::string"""
13457  return _IMP_atom.PDBSelector___repr__(self)
13458 
13459 
13460  @staticmethod
13461  def get_from(o):
13462  return _object_cast_to_PDBSelector(o)
13463 
13464 
13465  def get_type_name(self):
13466  return self.__class__.__name__
13467  def do_show(self, out):
13468  pass
13469  def get_version_info(self):
13470  if"IMP::atom" == "IMP":
13471  return VersionInfo(self.__module__,
13472  __import__(self.__module__).get_module_version())
13473  else:
13474  return IMP.VersionInfo(self.__module__,
13475  __import__(self.__module__).get_module_version())
13476  @staticmethod
13477  def get_from(o):
13478  return _object_cast_to_PDBSelector(o)
13479 
13480 
13481  def __and__(self, s):
13482  return AndPDBSelector(self, s)
13483  def __or__(self, s):
13484  return OrPDBSelector(self, s)
13485  def __xor__(self, s):
13486  return XorPDBSelector(self, s)
13487  def __invert__(self):
13488  return NotPDBSelector(self)
13489  def __sub__(self, s):
13490  return AndPDBSelector(self, NotPDBSelector(s))
13491 
13492  def __disown__(self):
13493  self.this.disown()
13494  _IMP_atom.disown_PDBSelector(self)
13495  return weakref_proxy(self)
13496 
13497  def do_destroy(self):
13498  """do_destroy(PDBSelector self)"""
13499  return _IMP_atom.PDBSelector_do_destroy(self)
13500 
13501 PDBSelector_swigregister = _IMP_atom.PDBSelector_swigregister
13502 PDBSelector_swigregister(PDBSelector)
13503 
13504 class NonAlternativePDBSelector(PDBSelector):
13505  """Proxy of C++ IMP::atom::NonAlternativePDBSelector class"""
13506  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13507 
13508  def __init__(self, *args):
13509  """
13510  __init__(IMP::atom::NonAlternativePDBSelector self, std::string name) -> NonAlternativePDBSelector
13511  __init__(IMP::atom::NonAlternativePDBSelector self) -> NonAlternativePDBSelector
13512  """
13513  this = _IMP_atom.new_NonAlternativePDBSelector(*args)
13514  try:
13515  self.this.append(this)
13516  except:
13517  self.this = this
13518 
13519  def get_version_info(self):
13520  """get_version_info(NonAlternativePDBSelector self) -> VersionInfo"""
13521  return _IMP_atom.NonAlternativePDBSelector_get_version_info(self)
13522 
13523 
13524  def __str__(self):
13525  """__str__(NonAlternativePDBSelector self) -> std::string"""
13526  return _IMP_atom.NonAlternativePDBSelector___str__(self)
13527 
13528 
13529  def __repr__(self):
13530  """__repr__(NonAlternativePDBSelector self) -> std::string"""
13531  return _IMP_atom.NonAlternativePDBSelector___repr__(self)
13532 
13533 
13534  @staticmethod
13535  def get_from(o):
13536  return _object_cast_to_NonAlternativePDBSelector(o)
13537 
13538 NonAlternativePDBSelector_swigregister = _IMP_atom.NonAlternativePDBSelector_swigregister
13539 NonAlternativePDBSelector_swigregister(NonAlternativePDBSelector)
13540 
13541 class ATOMPDBSelector(NonAlternativePDBSelector):
13542  """Proxy of C++ IMP::atom::ATOMPDBSelector class"""
13543  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13544 
13545  def __init__(self, *args):
13546  """
13547  __init__(IMP::atom::ATOMPDBSelector self, std::string name) -> ATOMPDBSelector
13548  __init__(IMP::atom::ATOMPDBSelector self) -> ATOMPDBSelector
13549  """
13550  this = _IMP_atom.new_ATOMPDBSelector(*args)
13551  try:
13552  self.this.append(this)
13553  except:
13554  self.this = this
13555 
13556  def __str__(self):
13557  """__str__(ATOMPDBSelector self) -> std::string"""
13558  return _IMP_atom.ATOMPDBSelector___str__(self)
13559 
13560 
13561  def __repr__(self):
13562  """__repr__(ATOMPDBSelector self) -> std::string"""
13563  return _IMP_atom.ATOMPDBSelector___repr__(self)
13564 
13565 
13566  @staticmethod
13567  def get_from(o):
13568  return _object_cast_to_ATOMPDBSelector(o)
13569 
13570 ATOMPDBSelector_swigregister = _IMP_atom.ATOMPDBSelector_swigregister
13571 ATOMPDBSelector_swigregister(ATOMPDBSelector)
13572 
13573 class CAlphaPDBSelector(NonAlternativePDBSelector):
13574  """Proxy of C++ IMP::atom::CAlphaPDBSelector class"""
13575  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13576 
13577  def __init__(self, *args):
13578  """
13579  __init__(IMP::atom::CAlphaPDBSelector self, std::string name) -> CAlphaPDBSelector
13580  __init__(IMP::atom::CAlphaPDBSelector self) -> CAlphaPDBSelector
13581  """
13582  this = _IMP_atom.new_CAlphaPDBSelector(*args)
13583  try:
13584  self.this.append(this)
13585  except:
13586  self.this = this
13587 
13588  def __str__(self):
13589  """__str__(CAlphaPDBSelector self) -> std::string"""
13590  return _IMP_atom.CAlphaPDBSelector___str__(self)
13591 
13592 
13593  def __repr__(self):
13594  """__repr__(CAlphaPDBSelector self) -> std::string"""
13595  return _IMP_atom.CAlphaPDBSelector___repr__(self)
13596 
13597 
13598  @staticmethod
13599  def get_from(o):
13600  return _object_cast_to_CAlphaPDBSelector(o)
13601 
13602 CAlphaPDBSelector_swigregister = _IMP_atom.CAlphaPDBSelector_swigregister
13603 CAlphaPDBSelector_swigregister(CAlphaPDBSelector)
13604 
13605 class CBetaPDBSelector(NonAlternativePDBSelector):
13606  """Proxy of C++ IMP::atom::CBetaPDBSelector class"""
13607  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13608 
13609  def __init__(self, *args):
13610  """
13611  __init__(IMP::atom::CBetaPDBSelector self, std::string name) -> CBetaPDBSelector
13612  __init__(IMP::atom::CBetaPDBSelector self) -> CBetaPDBSelector
13613  """
13614  this = _IMP_atom.new_CBetaPDBSelector(*args)
13615  try:
13616  self.this.append(this)
13617  except:
13618  self.this = this
13619 
13620  def __str__(self):
13621  """__str__(CBetaPDBSelector self) -> std::string"""
13622  return _IMP_atom.CBetaPDBSelector___str__(self)
13623 
13624 
13625  def __repr__(self):
13626  """__repr__(CBetaPDBSelector self) -> std::string"""
13627  return _IMP_atom.CBetaPDBSelector___repr__(self)
13628 
13629 
13630  @staticmethod
13631  def get_from(o):
13632  return _object_cast_to_CBetaPDBSelector(o)
13633 
13634 CBetaPDBSelector_swigregister = _IMP_atom.CBetaPDBSelector_swigregister
13635 CBetaPDBSelector_swigregister(CBetaPDBSelector)
13636 
13637 class AtomTypePDBSelector(PDBSelector):
13638  """Proxy of C++ IMP::atom::AtomTypePDBSelector class"""
13639  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13640 
13641  def __init__(self, *args):
13642  """
13643  __init__(IMP::atom::AtomTypePDBSelector self, IMP::Strings atom_types, std::string name) -> AtomTypePDBSelector
13644  __init__(IMP::atom::AtomTypePDBSelector self, IMP::Strings atom_types) -> AtomTypePDBSelector
13645  """
13646  this = _IMP_atom.new_AtomTypePDBSelector(*args)
13647  try:
13648  self.this.append(this)
13649  except:
13650  self.this = this
13651 
13652  def get_version_info(self):
13653  """get_version_info(AtomTypePDBSelector self) -> VersionInfo"""
13654  return _IMP_atom.AtomTypePDBSelector_get_version_info(self)
13655 
13656 
13657  def __str__(self):
13658  """__str__(AtomTypePDBSelector self) -> std::string"""
13659  return _IMP_atom.AtomTypePDBSelector___str__(self)
13660 
13661 
13662  def __repr__(self):
13663  """__repr__(AtomTypePDBSelector self) -> std::string"""
13664  return _IMP_atom.AtomTypePDBSelector___repr__(self)
13665 
13666 
13667  @staticmethod
13668  def get_from(o):
13669  return _object_cast_to_AtomTypePDBSelector(o)
13670 
13671 AtomTypePDBSelector_swigregister = _IMP_atom.AtomTypePDBSelector_swigregister
13672 AtomTypePDBSelector_swigregister(AtomTypePDBSelector)
13673 
13674 class ResidueTypePDBSelector(PDBSelector):
13675  """Proxy of C++ IMP::atom::ResidueTypePDBSelector class"""
13676  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13677 
13678  def __init__(self, *args):
13679  """
13680  __init__(IMP::atom::ResidueTypePDBSelector self, IMP::Strings residue_types, std::string name) -> ResidueTypePDBSelector
13681  __init__(IMP::atom::ResidueTypePDBSelector self, IMP::Strings residue_types) -> ResidueTypePDBSelector
13682  """
13683  this = _IMP_atom.new_ResidueTypePDBSelector(*args)
13684  try:
13685  self.this.append(this)
13686  except:
13687  self.this = this
13688 
13689  def get_version_info(self):
13690  """get_version_info(ResidueTypePDBSelector self) -> VersionInfo"""
13691  return _IMP_atom.ResidueTypePDBSelector_get_version_info(self)
13692 
13693 
13694  def __str__(self):
13695  """__str__(ResidueTypePDBSelector self) -> std::string"""
13696  return _IMP_atom.ResidueTypePDBSelector___str__(self)
13697 
13698 
13699  def __repr__(self):
13700  """__repr__(ResidueTypePDBSelector self) -> std::string"""
13701  return _IMP_atom.ResidueTypePDBSelector___repr__(self)
13702 
13703 
13704  @staticmethod
13705  def get_from(o):
13706  return _object_cast_to_ResidueTypePDBSelector(o)
13707 
13708 ResidueTypePDBSelector_swigregister = _IMP_atom.ResidueTypePDBSelector_swigregister
13709 ResidueTypePDBSelector_swigregister(ResidueTypePDBSelector)
13710 
13711 class CPDBSelector(NonAlternativePDBSelector):
13712  """Proxy of C++ IMP::atom::CPDBSelector class"""
13713  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13714 
13715  def __init__(self, *args):
13716  """
13717  __init__(IMP::atom::CPDBSelector self, std::string name) -> CPDBSelector
13718  __init__(IMP::atom::CPDBSelector self) -> CPDBSelector
13719  """
13720  this = _IMP_atom.new_CPDBSelector(*args)
13721  try:
13722  self.this.append(this)
13723  except:
13724  self.this = this
13725 
13726  def __str__(self):
13727  """__str__(CPDBSelector self) -> std::string"""
13728  return _IMP_atom.CPDBSelector___str__(self)
13729 
13730 
13731  def __repr__(self):
13732  """__repr__(CPDBSelector self) -> std::string"""
13733  return _IMP_atom.CPDBSelector___repr__(self)
13734 
13735 
13736  @staticmethod
13737  def get_from(o):
13738  return _object_cast_to_CPDBSelector(o)
13739 
13740 CPDBSelector_swigregister = _IMP_atom.CPDBSelector_swigregister
13741 CPDBSelector_swigregister(CPDBSelector)
13742 
13743 class NPDBSelector(NonAlternativePDBSelector):
13744  """Proxy of C++ IMP::atom::NPDBSelector class"""
13745  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13746 
13747  def __init__(self, *args):
13748  """
13749  __init__(IMP::atom::NPDBSelector self, std::string name) -> NPDBSelector
13750  __init__(IMP::atom::NPDBSelector self) -> NPDBSelector
13751  """
13752  this = _IMP_atom.new_NPDBSelector(*args)
13753  try:
13754  self.this.append(this)
13755  except:
13756  self.this = this
13757 
13758  def __str__(self):
13759  """__str__(NPDBSelector self) -> std::string"""
13760  return _IMP_atom.NPDBSelector___str__(self)
13761 
13762 
13763  def __repr__(self):
13764  """__repr__(NPDBSelector self) -> std::string"""
13765  return _IMP_atom.NPDBSelector___repr__(self)
13766 
13767 
13768  @staticmethod
13769  def get_from(o):
13770  return _object_cast_to_NPDBSelector(o)
13771 
13772 NPDBSelector_swigregister = _IMP_atom.NPDBSelector_swigregister
13773 NPDBSelector_swigregister(NPDBSelector)
13774 
13775 class AllPDBSelector(PDBSelector):
13776  """Proxy of C++ IMP::atom::AllPDBSelector class"""
13777  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13778 
13779  def __init__(self, *args):
13780  """
13781  __init__(IMP::atom::AllPDBSelector self, std::string name) -> AllPDBSelector
13782  __init__(IMP::atom::AllPDBSelector self) -> AllPDBSelector
13783  """
13784  this = _IMP_atom.new_AllPDBSelector(*args)
13785  try:
13786  self.this.append(this)
13787  except:
13788  self.this = this
13789 
13790  def get_version_info(self):
13791  """get_version_info(AllPDBSelector self) -> VersionInfo"""
13792  return _IMP_atom.AllPDBSelector_get_version_info(self)
13793 
13794 
13795  def __str__(self):
13796  """__str__(AllPDBSelector self) -> std::string"""
13797  return _IMP_atom.AllPDBSelector___str__(self)
13798 
13799 
13800  def __repr__(self):
13801  """__repr__(AllPDBSelector self) -> std::string"""
13802  return _IMP_atom.AllPDBSelector___repr__(self)
13803 
13804 
13805  @staticmethod
13806  def get_from(o):
13807  return _object_cast_to_AllPDBSelector(o)
13808 
13809 AllPDBSelector_swigregister = _IMP_atom.AllPDBSelector_swigregister
13810 AllPDBSelector_swigregister(AllPDBSelector)
13811 
13812 class ChainPDBSelector(NonAlternativePDBSelector):
13813  """Proxy of C++ IMP::atom::ChainPDBSelector class"""
13814  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13815 
13816  def __init__(self, *args):
13817  """
13818  __init__(IMP::atom::ChainPDBSelector self, std::string const & chains, std::string name) -> ChainPDBSelector
13819  __init__(IMP::atom::ChainPDBSelector self, std::string const & chains) -> ChainPDBSelector
13820  """
13821  this = _IMP_atom.new_ChainPDBSelector(*args)
13822  try:
13823  self.this.append(this)
13824  except:
13825  self.this = this
13826 
13827  def __str__(self):
13828  """__str__(ChainPDBSelector self) -> std::string"""
13829  return _IMP_atom.ChainPDBSelector___str__(self)
13830 
13831 
13832  def __repr__(self):
13833  """__repr__(ChainPDBSelector self) -> std::string"""
13834  return _IMP_atom.ChainPDBSelector___repr__(self)
13835 
13836 
13837  @staticmethod
13838  def get_from(o):
13839  return _object_cast_to_ChainPDBSelector(o)
13840 
13841 ChainPDBSelector_swigregister = _IMP_atom.ChainPDBSelector_swigregister
13842 ChainPDBSelector_swigregister(ChainPDBSelector)
13843 
13844 class WaterPDBSelector(NonAlternativePDBSelector):
13845  """Proxy of C++ IMP::atom::WaterPDBSelector class"""
13846  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13847 
13848  def __init__(self, *args):
13849  """
13850  __init__(IMP::atom::WaterPDBSelector self, std::string name) -> WaterPDBSelector
13851  __init__(IMP::atom::WaterPDBSelector self) -> WaterPDBSelector
13852  """
13853  this = _IMP_atom.new_WaterPDBSelector(*args)
13854  try:
13855  self.this.append(this)
13856  except:
13857  self.this = this
13858 
13859  def __str__(self):
13860  """__str__(WaterPDBSelector self) -> std::string"""
13861  return _IMP_atom.WaterPDBSelector___str__(self)
13862 
13863 
13864  def __repr__(self):
13865  """__repr__(WaterPDBSelector self) -> std::string"""
13866  return _IMP_atom.WaterPDBSelector___repr__(self)
13867 
13868 
13869  @staticmethod
13870  def get_from(o):
13871  return _object_cast_to_WaterPDBSelector(o)
13872 
13873 WaterPDBSelector_swigregister = _IMP_atom.WaterPDBSelector_swigregister
13874 WaterPDBSelector_swigregister(WaterPDBSelector)
13875 
13876 class HydrogenPDBSelector(NonAlternativePDBSelector):
13877  """Proxy of C++ IMP::atom::HydrogenPDBSelector class"""
13878  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13879 
13880  def __init__(self, *args):
13881  """
13882  __init__(IMP::atom::HydrogenPDBSelector self, std::string name) -> HydrogenPDBSelector
13883  __init__(IMP::atom::HydrogenPDBSelector self) -> HydrogenPDBSelector
13884  """
13885  this = _IMP_atom.new_HydrogenPDBSelector(*args)
13886  try:
13887  self.this.append(this)
13888  except:
13889  self.this = this
13890 
13891  def __str__(self):
13892  """__str__(HydrogenPDBSelector self) -> std::string"""
13893  return _IMP_atom.HydrogenPDBSelector___str__(self)
13894 
13895 
13896  def __repr__(self):
13897  """__repr__(HydrogenPDBSelector self) -> std::string"""
13898  return _IMP_atom.HydrogenPDBSelector___repr__(self)
13899 
13900 
13901  @staticmethod
13902  def get_from(o):
13903  return _object_cast_to_HydrogenPDBSelector(o)
13904 
13905 HydrogenPDBSelector_swigregister = _IMP_atom.HydrogenPDBSelector_swigregister
13906 HydrogenPDBSelector_swigregister(HydrogenPDBSelector)
13907 
13908 class NonWaterNonHydrogenPDBSelector(NonAlternativePDBSelector):
13909  """Proxy of C++ IMP::atom::NonWaterNonHydrogenPDBSelector class"""
13910  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13911 
13912  def __init__(self, *args):
13913  """
13914  __init__(IMP::atom::NonWaterNonHydrogenPDBSelector self, std::string name) -> NonWaterNonHydrogenPDBSelector
13915  __init__(IMP::atom::NonWaterNonHydrogenPDBSelector self) -> NonWaterNonHydrogenPDBSelector
13916  """
13917  this = _IMP_atom.new_NonWaterNonHydrogenPDBSelector(*args)
13918  try:
13919  self.this.append(this)
13920  except:
13921  self.this = this
13922 
13923  def __str__(self):
13924  """__str__(NonWaterNonHydrogenPDBSelector self) -> std::string"""
13925  return _IMP_atom.NonWaterNonHydrogenPDBSelector___str__(self)
13926 
13927 
13928  def __repr__(self):
13929  """__repr__(NonWaterNonHydrogenPDBSelector self) -> std::string"""
13930  return _IMP_atom.NonWaterNonHydrogenPDBSelector___repr__(self)
13931 
13932 
13933  @staticmethod
13934  def get_from(o):
13935  return _object_cast_to_NonWaterNonHydrogenPDBSelector(o)
13936 
13937 NonWaterNonHydrogenPDBSelector_swigregister = _IMP_atom.NonWaterNonHydrogenPDBSelector_swigregister
13938 NonWaterNonHydrogenPDBSelector_swigregister(NonWaterNonHydrogenPDBSelector)
13939 
13940 class NonHydrogenPDBSelector(NonAlternativePDBSelector):
13941  """Proxy of C++ IMP::atom::NonHydrogenPDBSelector class"""
13942  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13943 
13944  def __init__(self, *args):
13945  """
13946  __init__(IMP::atom::NonHydrogenPDBSelector self, std::string name) -> NonHydrogenPDBSelector
13947  __init__(IMP::atom::NonHydrogenPDBSelector self) -> NonHydrogenPDBSelector
13948  """
13949  this = _IMP_atom.new_NonHydrogenPDBSelector(*args)
13950  try:
13951  self.this.append(this)
13952  except:
13953  self.this = this
13954 
13955  def __str__(self):
13956  """__str__(NonHydrogenPDBSelector self) -> std::string"""
13957  return _IMP_atom.NonHydrogenPDBSelector___str__(self)
13958 
13959 
13960  def __repr__(self):
13961  """__repr__(NonHydrogenPDBSelector self) -> std::string"""
13962  return _IMP_atom.NonHydrogenPDBSelector___repr__(self)
13963 
13964 
13965  @staticmethod
13966  def get_from(o):
13967  return _object_cast_to_NonHydrogenPDBSelector(o)
13968 
13969 NonHydrogenPDBSelector_swigregister = _IMP_atom.NonHydrogenPDBSelector_swigregister
13970 NonHydrogenPDBSelector_swigregister(NonHydrogenPDBSelector)
13971 
13972 class NonWaterPDBSelector(NonAlternativePDBSelector):
13973  """Proxy of C++ IMP::atom::NonWaterPDBSelector class"""
13974  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13975 
13976  def __init__(self, *args):
13977  """
13978  __init__(IMP::atom::NonWaterPDBSelector self, std::string name) -> NonWaterPDBSelector
13979  __init__(IMP::atom::NonWaterPDBSelector self) -> NonWaterPDBSelector
13980  """
13981  this = _IMP_atom.new_NonWaterPDBSelector(*args)
13982  try:
13983  self.this.append(this)
13984  except:
13985  self.this = this
13986 
13987  def __str__(self):
13988  """__str__(NonWaterPDBSelector self) -> std::string"""
13989  return _IMP_atom.NonWaterPDBSelector___str__(self)
13990 
13991 
13992  def __repr__(self):
13993  """__repr__(NonWaterPDBSelector self) -> std::string"""
13994  return _IMP_atom.NonWaterPDBSelector___repr__(self)
13995 
13996 
13997  @staticmethod
13998  def get_from(o):
13999  return _object_cast_to_NonWaterPDBSelector(o)
14000 
14001 NonWaterPDBSelector_swigregister = _IMP_atom.NonWaterPDBSelector_swigregister
14002 NonWaterPDBSelector_swigregister(NonWaterPDBSelector)
14003 
14004 class BackbonePDBSelector(NonWaterNonHydrogenPDBSelector):
14005  """Proxy of C++ IMP::atom::BackbonePDBSelector class"""
14006  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14007 
14008  def __init__(self, *args):
14009  """
14010  __init__(IMP::atom::BackbonePDBSelector self, std::string name) -> BackbonePDBSelector
14011  __init__(IMP::atom::BackbonePDBSelector self) -> BackbonePDBSelector
14012  """
14013  this = _IMP_atom.new_BackbonePDBSelector(*args)
14014  try:
14015  self.this.append(this)
14016  except:
14017  self.this = this
14018 
14019  def __str__(self):
14020  """__str__(BackbonePDBSelector self) -> std::string"""
14021  return _IMP_atom.BackbonePDBSelector___str__(self)
14022 
14023 
14024  def __repr__(self):
14025  """__repr__(BackbonePDBSelector self) -> std::string"""
14026  return _IMP_atom.BackbonePDBSelector___repr__(self)
14027 
14028 
14029  @staticmethod
14030  def get_from(o):
14031  return _object_cast_to_BackbonePDBSelector(o)
14032 
14033 BackbonePDBSelector_swigregister = _IMP_atom.BackbonePDBSelector_swigregister
14034 BackbonePDBSelector_swigregister(BackbonePDBSelector)
14035 
14036 class PPDBSelector(NonAlternativePDBSelector):
14037  """Proxy of C++ IMP::atom::PPDBSelector class"""
14038  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14039 
14040  def __init__(self, *args):
14041  """
14042  __init__(IMP::atom::PPDBSelector self, std::string name) -> PPDBSelector
14043  __init__(IMP::atom::PPDBSelector self) -> PPDBSelector
14044  """
14045  this = _IMP_atom.new_PPDBSelector(*args)
14046  try:
14047  self.this.append(this)
14048  except:
14049  self.this = this
14050 
14051  def __str__(self):
14052  """__str__(PPDBSelector self) -> std::string"""
14053  return _IMP_atom.PPDBSelector___str__(self)
14054 
14055 
14056  def __repr__(self):
14057  """__repr__(PPDBSelector self) -> std::string"""
14058  return _IMP_atom.PPDBSelector___repr__(self)
14059 
14060 
14061  @staticmethod
14062  def get_from(o):
14063  return _object_cast_to_PPDBSelector(o)
14064 
14065 PPDBSelector_swigregister = _IMP_atom.PPDBSelector_swigregister
14066 PPDBSelector_swigregister(PPDBSelector)
14067 
14068 class AndPDBSelector(PDBSelector):
14069  """Proxy of C++ IMP::atom::AndPDBSelector class"""
14070  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14071 
14072  def get_version_info(self):
14073  """get_version_info(AndPDBSelector self) -> VersionInfo"""
14074  return _IMP_atom.AndPDBSelector_get_version_info(self)
14075 
14076 
14077  def __init__(self, a, b):
14078  """__init__(IMP::atom::AndPDBSelector self, PDBSelector a, PDBSelector b) -> AndPDBSelector"""
14079  this = _IMP_atom.new_AndPDBSelector(a, b)
14080  try:
14081  self.this.append(this)
14082  except:
14083  self.this = this
14084 
14085  def __str__(self):
14086  """__str__(AndPDBSelector self) -> std::string"""
14087  return _IMP_atom.AndPDBSelector___str__(self)
14088 
14089 
14090  def __repr__(self):
14091  """__repr__(AndPDBSelector self) -> std::string"""
14092  return _IMP_atom.AndPDBSelector___repr__(self)
14093 
14094 
14095  @staticmethod
14096  def get_from(o):
14097  return _object_cast_to_AndPDBSelector(o)
14098 
14099 AndPDBSelector_swigregister = _IMP_atom.AndPDBSelector_swigregister
14100 AndPDBSelector_swigregister(AndPDBSelector)
14101 
14102 class OrPDBSelector(PDBSelector):
14103  """Proxy of C++ IMP::atom::OrPDBSelector class"""
14104  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14105 
14106  def get_version_info(self):
14107  """get_version_info(OrPDBSelector self) -> VersionInfo"""
14108  return _IMP_atom.OrPDBSelector_get_version_info(self)
14109 
14110 
14111  def __init__(self, a, b):
14112  """__init__(IMP::atom::OrPDBSelector self, PDBSelector a, PDBSelector b) -> OrPDBSelector"""
14113  this = _IMP_atom.new_OrPDBSelector(a, b)
14114  try:
14115  self.this.append(this)
14116  except:
14117  self.this = this
14118 
14119  def __str__(self):
14120  """__str__(OrPDBSelector self) -> std::string"""
14121  return _IMP_atom.OrPDBSelector___str__(self)
14122 
14123 
14124  def __repr__(self):
14125  """__repr__(OrPDBSelector self) -> std::string"""
14126  return _IMP_atom.OrPDBSelector___repr__(self)
14127 
14128 
14129  @staticmethod
14130  def get_from(o):
14131  return _object_cast_to_OrPDBSelector(o)
14132 
14133 OrPDBSelector_swigregister = _IMP_atom.OrPDBSelector_swigregister
14134 OrPDBSelector_swigregister(OrPDBSelector)
14135 
14136 class XorPDBSelector(PDBSelector):
14137  """Proxy of C++ IMP::atom::XorPDBSelector class"""
14138  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14139 
14140  def get_version_info(self):
14141  """get_version_info(XorPDBSelector self) -> VersionInfo"""
14142  return _IMP_atom.XorPDBSelector_get_version_info(self)
14143 
14144 
14145  def __init__(self, a, b):
14146  """__init__(IMP::atom::XorPDBSelector self, PDBSelector a, PDBSelector b) -> XorPDBSelector"""
14147  this = _IMP_atom.new_XorPDBSelector(a, b)
14148  try:
14149  self.this.append(this)
14150  except:
14151  self.this = this
14152 
14153  def __str__(self):
14154  """__str__(XorPDBSelector self) -> std::string"""
14155  return _IMP_atom.XorPDBSelector___str__(self)
14156 
14157 
14158  def __repr__(self):
14159  """__repr__(XorPDBSelector self) -> std::string"""
14160  return _IMP_atom.XorPDBSelector___repr__(self)
14161 
14162 
14163  @staticmethod
14164  def get_from(o):
14165  return _object_cast_to_XorPDBSelector(o)
14166 
14167 XorPDBSelector_swigregister = _IMP_atom.XorPDBSelector_swigregister
14168 XorPDBSelector_swigregister(XorPDBSelector)
14169 
14170 class NotPDBSelector(PDBSelector):
14171  """Proxy of C++ IMP::atom::NotPDBSelector class"""
14172  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14173 
14174  def get_version_info(self):
14175  """get_version_info(NotPDBSelector self) -> VersionInfo"""
14176  return _IMP_atom.NotPDBSelector_get_version_info(self)
14177 
14178 
14179  def __init__(self, a):
14180  """__init__(IMP::atom::NotPDBSelector self, PDBSelector a) -> NotPDBSelector"""
14181  this = _IMP_atom.new_NotPDBSelector(a)
14182  try:
14183  self.this.append(this)
14184  except:
14185  self.this = this
14186 
14187  def __str__(self):
14188  """__str__(NotPDBSelector self) -> std::string"""
14189  return _IMP_atom.NotPDBSelector___str__(self)
14190 
14191 
14192  def __repr__(self):
14193  """__repr__(NotPDBSelector self) -> std::string"""
14194  return _IMP_atom.NotPDBSelector___repr__(self)
14195 
14196 
14197  @staticmethod
14198  def get_from(o):
14199  return _object_cast_to_NotPDBSelector(o)
14200 
14201 NotPDBSelector_swigregister = _IMP_atom.NotPDBSelector_swigregister
14202 NotPDBSelector_swigregister(NotPDBSelector)
14203 
14204 
14205 def get_default_pdb_selector():
14206  """get_default_pdb_selector() -> PDBSelector"""
14207  return _IMP_atom.get_default_pdb_selector()
14208 
14209 def read_pdb(*args):
14210  """
14211  read_pdb(TextInput input, Model model, PDBSelector selector, bool select_first_model=True, bool no_radii=False) -> Hierarchy
14212  read_pdb(TextInput input, Model model, PDBSelector selector, bool select_first_model=True) -> Hierarchy
14213  read_pdb(TextInput input, Model model, PDBSelector selector) -> Hierarchy
14214  read_pdb(TextInput input, Model model) -> Hierarchy
14215  read_pdb(TextInput input, int model, Hierarchy h)
14216  """
14217  return _IMP_atom.read_pdb(*args)
14218 
14219 def read_multimodel_pdb(*args):
14220  """
14221  read_multimodel_pdb(TextInput input, Model model, PDBSelector selector, bool noradii=False) -> IMP::atom::Hierarchies
14222  read_multimodel_pdb(TextInput input, Model model, PDBSelector selector) -> IMP::atom::Hierarchies
14223  read_multimodel_pdb(TextInput input, Model model) -> IMP::atom::Hierarchies
14224  """
14225  return _IMP_atom.read_multimodel_pdb(*args)
14226 
14227 def write_pdb(mhd, out, model=1):
14228  """
14229  write_pdb(Selection mhd, TextOutput out, unsigned int model=1)
14230  write_pdb(Selection mhd, TextOutput out)
14231  """
14232  return _IMP_atom.write_pdb(mhd, out, model)
14233 
14234 def write_pdb_of_c_alphas(mhd, out, model=1):
14235  """
14236  write_pdb_of_c_alphas(Selection mhd, TextOutput out, unsigned int model=1)
14237  write_pdb_of_c_alphas(Selection mhd, TextOutput out)
14238  """
14239  return _IMP_atom.write_pdb_of_c_alphas(mhd, out, model)
14240 
14241 def write_multimodel_pdb(mhd, out):
14242  """write_multimodel_pdb(IMP::atom::Hierarchies const & mhd, TextOutput out)"""
14243  return _IMP_atom.write_multimodel_pdb(mhd, out)
14244 
14245 def get_pdb_string(*args):
14246  """
14247  get_pdb_string(Vector3D v, int index=-1, AtomType at, ResidueType rt, char chain, int res_index=1, char res_icode, double occupancy=1.00, double tempFactor=0.00, IMP::atom::Element e) -> std::string
14248  get_pdb_string(Vector3D v, int index=-1, AtomType at, ResidueType rt, char chain, int res_index=1, char res_icode, double occupancy=1.00, double tempFactor=0.00) -> std::string
14249  get_pdb_string(Vector3D v, int index=-1, AtomType at, ResidueType rt, char chain, int res_index=1, char res_icode, double occupancy=1.00) -> std::string
14250  get_pdb_string(Vector3D v, int index=-1, AtomType at, ResidueType rt, char chain, int res_index=1, char res_icode) -> std::string
14251  get_pdb_string(Vector3D v, int index=-1, AtomType at, ResidueType rt, char chain, int res_index=1) -> std::string
14252  get_pdb_string(Vector3D v, int index=-1, AtomType at, ResidueType rt, char chain) -> std::string
14253  get_pdb_string(Vector3D v, int index=-1, AtomType at, ResidueType rt) -> std::string
14254  get_pdb_string(Vector3D v, int index=-1, AtomType at) -> std::string
14255  get_pdb_string(Vector3D v, int index=-1) -> std::string
14256  get_pdb_string(Vector3D v) -> std::string
14257  """
14258  return _IMP_atom.get_pdb_string(*args)
14259 
14260 def get_pdb_conect_record_string(arg1, arg2):
14261  """get_pdb_conect_record_string(int arg1, int arg2) -> std::string"""
14262  return _IMP_atom.get_pdb_conect_record_string(arg1, arg2)
14263 class WritePDBOptimizerState(IMP.OptimizerState):
14264  """Proxy of C++ IMP::atom::WritePDBOptimizerState class"""
14265  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14266 
14267  def __init__(self, *args):
14268  """
14269  __init__(IMP::atom::WritePDBOptimizerState self, Model m, _ParticleIndexesAdaptor pis, std::string filename) -> WritePDBOptimizerState
14270  __init__(IMP::atom::WritePDBOptimizerState self, IMP::atom::Hierarchies const mh, std::string filename) -> WritePDBOptimizerState
14271  """
14272  this = _IMP_atom.new_WritePDBOptimizerState(*args)
14273  try:
14274  self.this.append(this)
14275  except:
14276  self.this = this
14277 
14278  def get_version_info(self):
14279  """get_version_info(WritePDBOptimizerState self) -> VersionInfo"""
14280  return _IMP_atom.WritePDBOptimizerState_get_version_info(self)
14281 
14282 
14283  def __str__(self):
14284  """__str__(WritePDBOptimizerState self) -> std::string"""
14285  return _IMP_atom.WritePDBOptimizerState___str__(self)
14286 
14287 
14288  def __repr__(self):
14289  """__repr__(WritePDBOptimizerState self) -> std::string"""
14290  return _IMP_atom.WritePDBOptimizerState___repr__(self)
14291 
14292 
14293  @staticmethod
14294  def get_from(o):
14295  return _object_cast_to_WritePDBOptimizerState(o)
14296 
14297 WritePDBOptimizerState_swigregister = _IMP_atom.WritePDBOptimizerState_swigregister
14298 WritePDBOptimizerState_swigregister(WritePDBOptimizerState)
14299 
14300 
14301 def read_multimodel_mmcif(*args):
14302  """
14303  read_multimodel_mmcif(TextInput input, Model model, PDBSelector selector, bool noradii=False) -> IMP::atom::Hierarchies
14304  read_multimodel_mmcif(TextInput input, Model model, PDBSelector selector) -> IMP::atom::Hierarchies
14305  read_multimodel_mmcif(TextInput input, Model model) -> IMP::atom::Hierarchies
14306  """
14307  return _IMP_atom.read_multimodel_mmcif(*args)
14308 
14309 def read_mmcif(*args):
14310  """
14311  read_mmcif(TextInput input, Model model, PDBSelector selector, bool select_first_model=True, bool noradii=False) -> Hierarchy
14312  read_mmcif(TextInput input, Model model, PDBSelector selector, bool select_first_model=True) -> Hierarchy
14313  read_mmcif(TextInput input, Model model, PDBSelector selector) -> Hierarchy
14314  read_mmcif(TextInput input, Model model) -> Hierarchy
14315  """
14316  return _IMP_atom.read_mmcif(*args)
14317 
14318 def read_pdb_or_mmcif(*args):
14319  """
14320  read_pdb_or_mmcif(TextInput input, Model model, PDBSelector selector, bool select_first_model=True, bool noradii=False) -> Hierarchy
14321  read_pdb_or_mmcif(TextInput input, Model model, PDBSelector selector, bool select_first_model=True) -> Hierarchy
14322  read_pdb_or_mmcif(TextInput input, Model model, PDBSelector selector) -> Hierarchy
14323  read_pdb_or_mmcif(TextInput input, Model model) -> Hierarchy
14324  """
14325  return _IMP_atom.read_pdb_or_mmcif(*args)
14326 
14327 def read_multimodel_pdb_or_mmcif(*args):
14328  """
14329  read_multimodel_pdb_or_mmcif(TextInput input, Model model, PDBSelector selector, bool noradii=False) -> IMP::atom::Hierarchies
14330  read_multimodel_pdb_or_mmcif(TextInput input, Model model, PDBSelector selector) -> IMP::atom::Hierarchies
14331  read_multimodel_pdb_or_mmcif(TextInput input, Model model) -> IMP::atom::Hierarchies
14332  """
14333  return _IMP_atom.read_multimodel_pdb_or_mmcif(*args)
14334 
14335 def get_kt(T):
14336  """get_kt(double T) -> double"""
14337  return _IMP_atom.get_kt(T)
14338 class CAAngleRestraint(IMP.Restraint):
14339  """Proxy of C++ IMP::atom::CAAngleRestraint class"""
14340  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14341 
14342  def __init__(self, m, p1, p2, p3, phi0, score):
14343  """__init__(IMP::atom::CAAngleRestraint self, Model m, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3, IMP::Floats phi0, IMP::Floats score) -> CAAngleRestraint"""
14344  this = _IMP_atom.new_CAAngleRestraint(m, p1, p2, p3, phi0, score)
14345  try:
14346  self.this.append(this)
14347  except:
14348  self.this = this
14349 
14350  def do_get_inputs(self):
14351  """do_get_inputs(CAAngleRestraint self) -> IMP::ModelObjectsTemp"""
14352  return _IMP_atom.CAAngleRestraint_do_get_inputs(self)
14353 
14354 
14355  def get_version_info(self):
14356  """get_version_info(CAAngleRestraint self) -> VersionInfo"""
14357  return _IMP_atom.CAAngleRestraint_get_version_info(self)
14358 
14359 
14360  def __str__(self):
14361  """__str__(CAAngleRestraint self) -> std::string"""
14362  return _IMP_atom.CAAngleRestraint___str__(self)
14363 
14364 
14365  def __repr__(self):
14366  """__repr__(CAAngleRestraint self) -> std::string"""
14367  return _IMP_atom.CAAngleRestraint___repr__(self)
14368 
14369 
14370  @staticmethod
14371  def get_from(o):
14372  return _object_cast_to_CAAngleRestraint(o)
14373 
14374 CAAngleRestraint_swigregister = _IMP_atom.CAAngleRestraint_swigregister
14375 CAAngleRestraint_swigregister(CAAngleRestraint)
14376 
14377 class CADihedralRestraint(IMP.Restraint):
14378  """Proxy of C++ IMP::atom::CADihedralRestraint class"""
14379  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14380 
14381  def __init__(self, m, p1, p2, p3, p4, p5, phi0, phi1, score):
14382  """__init__(IMP::atom::CADihedralRestraint self, Model m, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3, _ParticleIndexAdaptor p4, _ParticleIndexAdaptor p5, IMP::Floats phi0, IMP::Floats phi1, IMP::Floats score) -> CADihedralRestraint"""
14383  this = _IMP_atom.new_CADihedralRestraint(m, p1, p2, p3, p4, p5, phi0, phi1, score)
14384  try:
14385  self.this.append(this)
14386  except:
14387  self.this = this
14388 
14389  def do_get_inputs(self):
14390  """do_get_inputs(CADihedralRestraint self) -> IMP::ModelObjectsTemp"""
14391  return _IMP_atom.CADihedralRestraint_do_get_inputs(self)
14392 
14393 
14394  def get_version_info(self):
14395  """get_version_info(CADihedralRestraint self) -> VersionInfo"""
14396  return _IMP_atom.CADihedralRestraint_get_version_info(self)
14397 
14398 
14399  def __str__(self):
14400  """__str__(CADihedralRestraint self) -> std::string"""
14401  return _IMP_atom.CADihedralRestraint___str__(self)
14402 
14403 
14404  def __repr__(self):
14405  """__repr__(CADihedralRestraint self) -> std::string"""
14406  return _IMP_atom.CADihedralRestraint___repr__(self)
14407 
14408 
14409  @staticmethod
14410  def get_from(o):
14411  return _object_cast_to_CADihedralRestraint(o)
14412 
14413 CADihedralRestraint_swigregister = _IMP_atom.CADihedralRestraint_swigregister
14414 CADihedralRestraint_swigregister(CADihedralRestraint)
14415 
14416 class StructureSource(IMP.Decorator):
14417  """Proxy of C++ IMP::atom::StructureSource class"""
14418  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14419 
14420  def get_source_id(self):
14421  """get_source_id(StructureSource self) -> std::string"""
14422  return _IMP_atom.StructureSource_get_source_id(self)
14423 
14424 
14425  def get_source_chain_id(self):
14426  """get_source_chain_id(StructureSource self) -> std::string"""
14427  return _IMP_atom.StructureSource_get_source_chain_id(self)
14428 
14429 
14430  def set_source_id(self, source_id):
14431  """set_source_id(StructureSource self, std::string source_id)"""
14432  return _IMP_atom.StructureSource_set_source_id(self, source_id)
14433 
14434 
14435  def set_source_chain_id(self, source_chain_id):
14436  """set_source_chain_id(StructureSource self, std::string source_chain_id)"""
14437  return _IMP_atom.StructureSource_set_source_chain_id(self, source_chain_id)
14438 
14439 
14440  def __init__(self, *args):
14441  """
14442  __init__(IMP::atom::StructureSource self) -> StructureSource
14443  __init__(IMP::atom::StructureSource self, Model m, ParticleIndex id) -> StructureSource
14444  __init__(IMP::atom::StructureSource self, _ParticleAdaptor d) -> StructureSource
14445  """
14446  this = _IMP_atom.new_StructureSource(*args)
14447  try:
14448  self.this.append(this)
14449  except:
14450  self.this = this
14451 
14452  def get_is_setup(*args):
14453  """
14454  get_is_setup(Model m, ParticleIndex pi) -> bool
14455  get_is_setup(_ParticleAdaptor p) -> bool
14456  """
14457  return _IMP_atom.StructureSource_get_is_setup(*args)
14458 
14459  get_is_setup = staticmethod(get_is_setup)
14460 
14461  def show(self, *args):
14462  """
14463  show(StructureSource self, _ostream out)
14464  show(StructureSource self)
14465  """
14466  return _IMP_atom.StructureSource_show(self, *args)
14467 
14468 
14469  def setup_particle(*args):
14470  """
14471  setup_particle(Model m, ParticleIndex pi, std::string source_id, std::string source_chain_id) -> StructureSource
14472  setup_particle(_ParticleAdaptor decorator, std::string source_id, std::string source_chain_id) -> StructureSource
14473  """
14474  return _IMP_atom.StructureSource_setup_particle(*args)
14475 
14476  setup_particle = staticmethod(setup_particle)
14477 
14478  def add_attribute(self, *args):
14479  """
14480  add_attribute(StructureSource self, FloatKey k, IMP::Float v, bool opt)
14481  add_attribute(StructureSource self, FloatKey a0, IMP::Float a1)
14482  add_attribute(StructureSource self, IntKey a0, IMP::Int a1)
14483  add_attribute(StructureSource self, FloatsKey a0, IMP::Floats a1)
14484  add_attribute(StructureSource self, IntsKey a0, IMP::Ints a1)
14485  add_attribute(StructureSource self, StringKey a0, IMP::String a1)
14486  add_attribute(StructureSource self, ParticleIndexKey a0, Particle a1)
14487  add_attribute(StructureSource self, ObjectKey a0, Object a1)
14488  """
14489  return _IMP_atom.StructureSource_add_attribute(self, *args)
14490 
14491 
14492  def get_value(self, *args):
14493  """
14494  get_value(StructureSource self, FloatKey a0) -> IMP::Float
14495  get_value(StructureSource self, IntKey a0) -> IMP::Int
14496  get_value(StructureSource self, FloatsKey a0) -> IMP::Floats
14497  get_value(StructureSource self, IntsKey a0) -> IMP::Ints
14498  get_value(StructureSource self, StringKey a0) -> IMP::String
14499  get_value(StructureSource self, ParticleIndexKey a0) -> Particle
14500  get_value(StructureSource self, ObjectKey a0) -> Object
14501  """
14502  return _IMP_atom.StructureSource_get_value(self, *args)
14503 
14504 
14505  def set_value(self, *args):
14506  """
14507  set_value(StructureSource self, FloatKey a0, IMP::Float a1)
14508  set_value(StructureSource self, IntKey a0, IMP::Int a1)
14509  set_value(StructureSource self, FloatsKey a0, IMP::Floats a1)
14510  set_value(StructureSource self, IntsKey a0, IMP::Ints a1)
14511  set_value(StructureSource self, StringKey a0, IMP::String a1)
14512  set_value(StructureSource self, ParticleIndexKey a0, Particle a1)
14513  set_value(StructureSource self, ObjectKey a0, Object a1)
14514  """
14515  return _IMP_atom.StructureSource_set_value(self, *args)
14516 
14517 
14518  def remove_attribute(self, *args):
14519  """
14520  remove_attribute(StructureSource self, FloatKey a0)
14521  remove_attribute(StructureSource self, IntKey a0)
14522  remove_attribute(StructureSource self, FloatsKey a0)
14523  remove_attribute(StructureSource self, IntsKey a0)
14524  remove_attribute(StructureSource self, StringKey a0)
14525  remove_attribute(StructureSource self, ParticleIndexKey a0)
14526  remove_attribute(StructureSource self, ObjectKey a0)
14527  """
14528  return _IMP_atom.StructureSource_remove_attribute(self, *args)
14529 
14530 
14531  def has_attribute(self, *args):
14532  """
14533  has_attribute(StructureSource self, FloatKey a0) -> bool
14534  has_attribute(StructureSource self, IntKey a0) -> bool
14535  has_attribute(StructureSource self, FloatsKey a0) -> bool
14536  has_attribute(StructureSource self, IntsKey a0) -> bool
14537  has_attribute(StructureSource self, StringKey a0) -> bool
14538  has_attribute(StructureSource self, ParticleIndexKey a0) -> bool
14539  has_attribute(StructureSource self, ObjectKey a0) -> bool
14540  """
14541  return _IMP_atom.StructureSource_has_attribute(self, *args)
14542 
14543 
14544  def get_derivative(self, a0):
14545  """get_derivative(StructureSource self, FloatKey a0) -> double"""
14546  return _IMP_atom.StructureSource_get_derivative(self, a0)
14547 
14548 
14549  def get_name(self):
14550  """get_name(StructureSource self) -> std::string"""
14551  return _IMP_atom.StructureSource_get_name(self)
14552 
14553 
14554  def clear_caches(self):
14555  """clear_caches(StructureSource self)"""
14556  return _IMP_atom.StructureSource_clear_caches(self)
14557 
14558 
14559  def set_name(self, a0):
14560  """set_name(StructureSource self, std::string a0)"""
14561  return _IMP_atom.StructureSource_set_name(self, a0)
14562 
14563 
14564  def set_check_level(self, a0):
14565  """set_check_level(StructureSource self, IMP::CheckLevel a0)"""
14566  return _IMP_atom.StructureSource_set_check_level(self, a0)
14567 
14568 
14569  def add_to_derivative(self, a0, a1, a2):
14570  """add_to_derivative(StructureSource self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14571  return _IMP_atom.StructureSource_add_to_derivative(self, a0, a1, a2)
14572 
14573 
14574  def set_is_optimized(self, a0, a1):
14575  """set_is_optimized(StructureSource self, FloatKey a0, bool a1)"""
14576  return _IMP_atom.StructureSource_set_is_optimized(self, a0, a1)
14577 
14578 
14579  def get_is_optimized(self, a0):
14580  """get_is_optimized(StructureSource self, FloatKey a0) -> bool"""
14581  return _IMP_atom.StructureSource_get_is_optimized(self, a0)
14582 
14583 
14584  def get_check_level(self):
14585  """get_check_level(StructureSource self) -> IMP::CheckLevel"""
14586  return _IMP_atom.StructureSource_get_check_level(self)
14587 
14588 
14589  def __eq__(self, *args):
14590  """
14591  __eq__(StructureSource self, StructureSource o) -> bool
14592  __eq__(StructureSource self, Particle d) -> bool
14593  """
14594  return _IMP_atom.StructureSource___eq__(self, *args)
14595 
14596 
14597  def __ne__(self, *args):
14598  """
14599  __ne__(StructureSource self, StructureSource o) -> bool
14600  __ne__(StructureSource self, Particle d) -> bool
14601  """
14602  return _IMP_atom.StructureSource___ne__(self, *args)
14603 
14604 
14605  def __le__(self, *args):
14606  """
14607  __le__(StructureSource self, StructureSource o) -> bool
14608  __le__(StructureSource self, Particle d) -> bool
14609  """
14610  return _IMP_atom.StructureSource___le__(self, *args)
14611 
14612 
14613  def __lt__(self, *args):
14614  """
14615  __lt__(StructureSource self, StructureSource o) -> bool
14616  __lt__(StructureSource self, Particle d) -> bool
14617  """
14618  return _IMP_atom.StructureSource___lt__(self, *args)
14619 
14620 
14621  def __ge__(self, *args):
14622  """
14623  __ge__(StructureSource self, StructureSource o) -> bool
14624  __ge__(StructureSource self, Particle d) -> bool
14625  """
14626  return _IMP_atom.StructureSource___ge__(self, *args)
14627 
14628 
14629  def __gt__(self, *args):
14630  """
14631  __gt__(StructureSource self, StructureSource o) -> bool
14632  __gt__(StructureSource self, Particle d) -> bool
14633  """
14634  return _IMP_atom.StructureSource___gt__(self, *args)
14635 
14636 
14637  def __hash__(self):
14638  """__hash__(StructureSource self) -> std::size_t"""
14639  return _IMP_atom.StructureSource___hash__(self)
14640 
14641 
14642  def __str__(self):
14643  """__str__(StructureSource self) -> std::string"""
14644  return _IMP_atom.StructureSource___str__(self)
14645 
14646 
14647  def __repr__(self):
14648  """__repr__(StructureSource self) -> std::string"""
14649  return _IMP_atom.StructureSource___repr__(self)
14650 
14651  __swig_destroy__ = _IMP_atom.delete_StructureSource
14652  __del__ = lambda self: None
14653 StructureSource_swigregister = _IMP_atom.StructureSource_swigregister
14654 StructureSource_swigregister(StructureSource)
14655 
14656 def StructureSource_get_is_setup(*args):
14657  """
14658  get_is_setup(Model m, ParticleIndex pi) -> bool
14659  StructureSource_get_is_setup(_ParticleAdaptor p) -> bool
14660  """
14661  return _IMP_atom.StructureSource_get_is_setup(*args)
14662 
14663 def StructureSource_setup_particle(*args):
14664  """
14665  setup_particle(Model m, ParticleIndex pi, std::string source_id, std::string source_chain_id) -> StructureSource
14666  StructureSource_setup_particle(_ParticleAdaptor decorator, std::string source_id, std::string source_chain_id) -> StructureSource
14667  """
14668  return _IMP_atom.StructureSource_setup_particle(*args)
14669 
14670 
14671 def __lshift__(*args):
14672  """
14673  __lshift__(_ostream out, Bonded n) -> _ostream
14674  __lshift__(_ostream out, Bond n) -> _ostream
14675  __lshift__(_ostream out, Hierarchy n) -> _ostream
14676  __lshift__(_ostream out, Angle n) -> _ostream
14677  __lshift__(_ostream out, Dihedral n) -> _ostream
14678  __lshift__(_ostream out, CenterOfMass n) -> _ostream
14679  __lshift__(_ostream out, Diffusion n) -> _ostream
14680  __lshift__(_ostream out, RigidBodyDiffusion n) -> _ostream
14681  __lshift__(_ostream out, TAMDParticle n) -> _ostream
14682  __lshift__(_ostream out, Chain n) -> _ostream
14683  __lshift__(_ostream out, Charged n) -> _ostream
14684  __lshift__(_ostream out, Domain n) -> _ostream
14685  __lshift__(_ostream out, LennardJones n) -> _ostream
14686  __lshift__(_ostream out, Fragment n) -> _ostream
14687  __lshift__(_ostream out, SecondaryStructureResidue n) -> _ostream
14688  __lshift__(_ostream out, Atom n) -> _ostream
14689  __lshift__(_ostream out, Residue n) -> _ostream
14690  __lshift__(_ostream out, Representation n) -> _ostream
14691  __lshift__(_ostream out, State n) -> _ostream
14692  __lshift__(_ostream out, Molecule n) -> _ostream
14693  __lshift__(_ostream out, Copy n) -> _ostream
14694  __lshift__(_ostream out, StructureSource n) -> _ostream
14695  """
14696  return _IMP_atom.__lshift__(*args)
14697 class HelixRestraint(IMP.Restraint):
14698  """Proxy of C++ IMP::atom::HelixRestraint class"""
14699  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14700 
14701  def __init__(self, rs, ideal=True):
14702  """
14703  __init__(IMP::atom::HelixRestraint self, IMP::atom::Residues rs, bool ideal=True) -> HelixRestraint
14704  __init__(IMP::atom::HelixRestraint self, IMP::atom::Residues rs) -> HelixRestraint
14705  """
14706  this = _IMP_atom.new_HelixRestraint(rs, ideal)
14707  try:
14708  self.this.append(this)
14709  except:
14710  self.this = this
14711 
14712  def get_number_of_bonds(self):
14713  """get_number_of_bonds(HelixRestraint self) -> int"""
14714  return _IMP_atom.HelixRestraint_get_number_of_bonds(self)
14715 
14716 
14717  def get_number_of_dihedrals(self):
14718  """get_number_of_dihedrals(HelixRestraint self) -> int"""
14719  return _IMP_atom.HelixRestraint_get_number_of_dihedrals(self)
14720 
14721 
14722  def do_get_inputs(self):
14723  """do_get_inputs(HelixRestraint self) -> IMP::ModelObjectsTemp"""
14724  return _IMP_atom.HelixRestraint_do_get_inputs(self)
14725 
14726 
14727  def get_version_info(self):
14728  """get_version_info(HelixRestraint self) -> VersionInfo"""
14729  return _IMP_atom.HelixRestraint_get_version_info(self)
14730 
14731 
14732  def __str__(self):
14733  """__str__(HelixRestraint self) -> std::string"""
14734  return _IMP_atom.HelixRestraint___str__(self)
14735 
14736 
14737  def __repr__(self):
14738  """__repr__(HelixRestraint self) -> std::string"""
14739  return _IMP_atom.HelixRestraint___repr__(self)
14740 
14741 
14742  @staticmethod
14743  def get_from(o):
14744  return _object_cast_to_HelixRestraint(o)
14745 
14746 HelixRestraint_swigregister = _IMP_atom.HelixRestraint_swigregister
14747 HelixRestraint_swigregister(HelixRestraint)
14748 
14749 
14751  """get_transformation_aligning_first_to_second(Selection s1, Selection s2) -> Transformation3D"""
14752  return _IMP_atom.get_transformation_aligning_first_to_second(s1, s2)
14753 
14754 def show_molecular_hierarchy(*args):
14755  """
14756  show_molecular_hierarchy(Hierarchy h, _ostream out) -> _ostream
14757  show_molecular_hierarchy(Hierarchy h) -> _ostream
14758  """
14759  return _IMP_atom.show_molecular_hierarchy(*args)
14760 class CHARMMBond(object):
14761  """Proxy of C++ IMP::atom::CHARMMConnection<(2)> class"""
14762  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14763  __repr__ = _swig_repr
14764 
14765  def __init__(self, atoms):
14766  """__init__(IMP::atom::CHARMMConnection<(2)> self, IMP::Strings const & atoms) -> CHARMMBond"""
14767  this = _IMP_atom.new_CHARMMBond(atoms)
14768  try:
14769  self.this.append(this)
14770  except:
14771  self.this = this
14772 
14773  def get_endpoint(self, i):
14774  """get_endpoint(CHARMMBond self, unsigned int i) -> CHARMMBondEndpoint"""
14775  return _IMP_atom.CHARMMBond_get_endpoint(self, i)
14776 
14777 
14778  def get_contains_atom(self, name):
14779  """get_contains_atom(CHARMMBond self, std::string name) -> bool"""
14780  return _IMP_atom.CHARMMBond_get_contains_atom(self, name)
14781 
14782 
14783  def show(self, *args):
14784  """
14785  show(CHARMMBond self, _ostream out)
14786  show(CHARMMBond self)
14787  """
14788  return _IMP_atom.CHARMMBond_show(self, *args)
14789 
14790  __swig_destroy__ = _IMP_atom.delete_CHARMMBond
14791  __del__ = lambda self: None
14792 CHARMMBond_swigregister = _IMP_atom.CHARMMBond_swigregister
14793 CHARMMBond_swigregister(CHARMMBond)
14794 
14795 class CHARMMAngle(object):
14796  """Proxy of C++ IMP::atom::CHARMMConnection<(3)> class"""
14797  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14798  __repr__ = _swig_repr
14799 
14800  def __init__(self, atoms):
14801  """__init__(IMP::atom::CHARMMConnection<(3)> self, IMP::Strings const & atoms) -> CHARMMAngle"""
14802  this = _IMP_atom.new_CHARMMAngle(atoms)
14803  try:
14804  self.this.append(this)
14805  except:
14806  self.this = this
14807 
14808  def get_endpoint(self, i):
14809  """get_endpoint(CHARMMAngle self, unsigned int i) -> CHARMMBondEndpoint"""
14810  return _IMP_atom.CHARMMAngle_get_endpoint(self, i)
14811 
14812 
14813  def get_contains_atom(self, name):
14814  """get_contains_atom(CHARMMAngle self, std::string name) -> bool"""
14815  return _IMP_atom.CHARMMAngle_get_contains_atom(self, name)
14816 
14817 
14818  def show(self, *args):
14819  """
14820  show(CHARMMAngle self, _ostream out)
14821  show(CHARMMAngle self)
14822  """
14823  return _IMP_atom.CHARMMAngle_show(self, *args)
14824 
14825  __swig_destroy__ = _IMP_atom.delete_CHARMMAngle
14826  __del__ = lambda self: None
14827 CHARMMAngle_swigregister = _IMP_atom.CHARMMAngle_swigregister
14828 CHARMMAngle_swigregister(CHARMMAngle)
14829 
14830 
14831 def _get_native_overlap_cpp(m1, m2, threshold):
14832  """_get_native_overlap_cpp(IMP::Vector< IMP::algebra::VectorD< 3 > > const & m1, IMP::Vector< IMP::algebra::VectorD< 3 > > const & m2, double threshold) -> double"""
14833  return _IMP_atom._get_native_overlap_cpp(m1, m2, threshold)
14834 
14835 def _get_drmsd_cpp(m0, m1):
14836  """_get_drmsd_cpp(IMP::Vector< IMP::algebra::VectorD< 3 > > const & m0, IMP::Vector< IMP::algebra::VectorD< 3 > > const & m1) -> double"""
14837  return _IMP_atom._get_drmsd_cpp(m0, m1)
14838 
14839 def _get_drmsd_Q_cpp(m0, m1, threshold):
14840  """_get_drmsd_Q_cpp(IMP::Vector< IMP::algebra::VectorD< 3 > > const & m0, IMP::Vector< IMP::algebra::VectorD< 3 > > const & m1, double threshold) -> double"""
14841  return _IMP_atom._get_drmsd_Q_cpp(m0, m1, threshold)
14842 
14843 def _get_drms_cpp(m1, m2):
14844  """_get_drms_cpp(IMP::Vector< IMP::algebra::VectorD< 3 > > const & m1, IMP::Vector< IMP::algebra::VectorD< 3 > > const & m2) -> double"""
14845  return _IMP_atom._get_drms_cpp(m1, m2)
14846 
14847 def _get_rigid_bodies_drms_cpp(m1, m2, ranges):
14848  """_get_rigid_bodies_drms_cpp(IMP::Vector< IMP::algebra::VectorD< 3 > > const & m1, IMP::Vector< IMP::algebra::VectorD< 3 > > const & m2, IMP::IntRanges const & ranges) -> double"""
14849  return _IMP_atom._get_rigid_bodies_drms_cpp(m1, m2, ranges)
14850 
14851 def get_native_overlap(a, b, d):
14852  va= [IMP.algebra.get_vector(x) for x in a]
14853  vb= [IMP.algebra.get_vector(x) for x in b]
14854  return _get_native_overlap_cpp(va, vb, d)
14855 
14856 def get_drmsd(a, b):
14857  va= [IMP.algebra.get_vector(x) for x in a]
14858  vb= [IMP.algebra.get_vector(x) for x in b]
14859  return _get_drmsd_cpp(va, vb)
14860 
14861 def get_drms(a, b):
14862  va= [IMP.algebra.get_vector(x) for x in a]
14863  vb= [IMP.algebra.get_vector(x) for x in b]
14864  return _get_drms_cpp(va, vb)
14865 
14866 def get_drmsd_Q(a, b, t):
14867  va= [IMP.algebra.get_vector(x) for x in a]
14868  vb= [IMP.algebra.get_vector(x) for x in b]
14869  return _get_drmsd_Q_cpp(va, vb, t)
14870 
14871 def get_rigid_bodies_drms(a, b, ranges):
14872  va= [IMP.algebra.get_vector(x) for x in a]
14873  vb= [IMP.algebra.get_vector(x) for x in b]
14874 #rs = [IMP.IntRange(r[0],r[1]) for r in ranges]
14875  return _get_rigid_bodies_drms_cpp(va, vb, ranges)
14876 
14877 
14878 
14879 def get_module_version():
14880  """get_module_version() -> std::string const"""
14881  return _IMP_atom.get_module_version()
14882 
14883 def get_example_path(fname):
14884  """get_example_path(std::string fname) -> std::string"""
14885  return _IMP_atom.get_example_path(fname)
14886 
14887 def get_data_path(fname):
14888  """get_data_path(std::string fname) -> std::string"""
14889  return _IMP_atom.get_data_path(fname)
14890 
14891 from . import _version_check
14892 _version_check.check_version(get_module_version())
14893 __version__ = get_module_version()
14894 
14895 
14896 
A base class for geometry contained in particles.
A base class for modifiers of ParticlesTemp.
AtomType add_atom_type(std::string name, Element e)
Create a new AtomType.
double get_kt(double T)
Return kT for a given temperature in units of [kcal/mol].
double get_volume_from_residue_type(ResidueType rt)
Return an estimate for the volume of a given residue.
Hierarchy read_pdb_or_mmcif(TextInput input, Model *model, PDBSelector *selector=get_default_pdb_selector(), bool select_first_model=true)
Read all the molecules in the first model of the PDB or mmCIF file.
Definition: mmcif.h:40
Abstract class for scoring object(s) of type ParticleIndexPair.
Definition: PairScore.h:42
A shared container for Pairs.
Definition: PairContainer.h:37
CHARMMParameters * get_heavy_atom_CHARMM_parameters()
double get_einstein_rotational_diffusion_coefficient(double r, double temp=-1)
Hierarchy read_mmcif(TextInput input, Model *model, PDBSelector *selector=get_default_pdb_selector(), bool select_first_model=true)
Read all the molecules in the first model of the mmCIF file.
Float get_secondary_structure_match_score(SecondaryStructureResidue ssr1, SecondaryStructureResidue ssr2)
Compares the secondary structure probabilities of two residues.
double get_rigid_bodies_drms(const Vector3DsOrXYZs0 &m1, const Vector3DsOrXYZs1 &m2, const IMP::IntRanges &ranges)
DRMS between two sets of rigid bodies.
Chain get_chain(Hierarchy h)
Get the containing chain or Chain() if there is none.
CheckLevel get_check_level()
Get the current audit mode.
Definition: exception.h:80
Vector< AtomTypes > get_chi_dihedral_atom_types(ResidueType rt)
setup
Definition: setup.py:1
Atoms get_phi_dihedral_atoms(Residue rd)
Return the atoms comprising the phi dihedral.
void show_molecular_hierarchy(Hierarchy h)
Print out the molecular hierarchy.
double get_drms(const Vector3DsOrXYZs0 &m1, const Vector3DsOrXYZs1 &m2)
void remove_charmm_untyped_atoms(Hierarchy hierarchy)
Remove any atom from the Hierarchy that does not have a CHARMM type.
double get_protein_density_from_reference(ProteinDensityReference densityReference)
void show_with_representations(Hierarchy h, std::ostream &out=std::cout)
Traverse through the tree and show atom info, including representations.
Hierarchy create_simplified_from_volume(Hierarchy h, double resolution)
void add_particles(RMF::FileHandle fh, const ParticlesTemp &hs)
double get_spring_constant_in_femto_newtons_per_angstrom(double k_in_kcal_per_mol_per_angstrom_square)
Convert spring constant from kcal/mol/A^2 to femtonewton/A.
double get_native_overlap(const Vector3DsOrXYZs0 &m1, const Vector3DsOrXYZs1 &m2, double threshold)
Computes the native overlap between two sets of 3D points.
Various classes to hold sets of particles.
The base class for geometry.
IMP::core::RigidBody create_compatible_rigid_body(Hierarchy h, Hierarchy reference)
Rigidify a molecule or collection of molecules.
Hierarchy create_simplified_along_backbone(Hierarchy input, int num_res, bool keep_detailed=false)
double get_drmsd(const Vector3DsOrXYZs0 &m0, const Vector3DsOrXYZs1 &m1)
Calculate distance the root mean square deviation between two sets of 3D points.
Definition: atom/distance.h:49
Vector< VectorD< D > > get_vertices(const BoundingBoxD< D > &bb)
Return a list of the 2^D bounding points for the bounding box.
Definition: BoundingBoxD.h:281
double get_mass(ResidueType c)
Get the mass from the residue type.
void add_radii(Hierarchy d, const ForceFieldParameters *ffp=get_all_atom_CHARMM_parameters(), FloatKey radius_key=FloatKey("radius"))
Add vdW radius from given force field.
A base class for geometry from a set of particles.
double get_dihedral(XYZ a, XYZ b, XYZ c, XYZ d)
Compute the dihedral angle (in radians) between the four particles.
double get_mass_from_number_of_residues(unsigned int num_aa)
Estimate the mass of a protein from the number of amino acids.
Make CGAL functionality available to IMP.
Provenance create_clone(Provenance p)
Clone provenance (including previous provenance)
Atoms get_omega_dihedral_atoms(Residue rd)
Return the atoms comprising the omega dihedral.
ParticleIndexQuads get_chi_dihedral_particle_indexes(Residue rd)
void write_pdb(const Selection &mhd, TextOutput out, unsigned int model=1)
void setup_as_approximation(Particle *h, const ParticlesTemp &other)
ParticlesTemp get_particles(Model *m, const ParticleIndexes &ps)
Get the particles from a list of indexes.
double get_mass_from_volume(double v, ProteinDensityReference ref=ALBER)
Estimate the mass of a protein from its volume.
void destroy_bond(Bond b)
Destroy the bond connecting two particles.
HierarchyTree get_hierarchy_tree(Hierarchy h)
Get a graph for the passed Hierarchy.
void add_particle(RMF::FileHandle fh, Particle *hs)
Atoms get_charmm_untyped_atoms(Hierarchy hierarchy)
Get all atoms in the Hierarchy that do not have CHARMM types.
std::string get_data_path(std::string file_name)
Return the full path to one of this module's data files.
char get_one_letter_code(ResidueType c)
Get the 1-letter amino acid code from the residue type.
Atom get_atom(Residue rd, AtomType at)
Return a particle atom from the residue.
Composable functors to implement scores via compile-time composition.
double get_angle(const Line3D &a, const Line3D &b)
Get angle in radians between two lines around their closest points.
Restraint * create_excluded_volume_restraint(const Hierarchies &hs, double resolution=-1)
Bond create_custom_bond(Bonded a, Bonded b, Float length, Float stiffness=-1)
Connect the two wrapped particles by a custom bond.
void write_pdb_of_c_alphas(const Selection &mhd, TextOutput out, unsigned int model=1)
Write a hierarchy to a PDB as C_alpha atoms.
Hierarchies read_multimodel_mmcif(TextInput input, Model *model, PDBSelector *selector=get_default_pdb_selector())
Read all models from the mmCIF file.
double get_kd(double na, double nb, double nab, double volume)
Definition: estimates.h:101
double get_diffusion_angle(double D, double dtfs)
IMP::algebra::Transformation3D get_transformation_aligning_first_to_second(const Vector3DsOrXYZs0 &source, const Vector3DsOrXYZs1 &target)
Compute the rigid transform bringing the first point set to the second.
bool get_atom_type_exists(std::string name)
Return true if that atom type already exists.
double get_volume(const BoundingBoxD< D > &bb)
See BoundingBoxD.
Definition: BoundingBoxD.h:170
FloatPair get_component_placement_score(const core::XYZs &ref1, const core::XYZs &ref2, const core::XYZs &mdl1, const core::XYZs &mdl2)
Measure the difference between two placements of the same set of points.
void transform(Hierarchy h, const algebra::Transformation3D &tr)
Transform a hierarchy. This is aware of rigid bodies.
core::XYZR create_cover(const Selection &s, std::string name=std::string())
double get_volume_from_mass(double m, ProteinDensityReference ref=ALBER)
Estimate the volume of a protein from its mass.
Ints get_index(const ParticlesTemp &particles, const Subset &subset, const Subsets &excluded)
Common base class for heavy weight IMP objects.
Definition: Object.h:106
Hierarchy create_protein(Model *m, std::string name, double target_radius, int number_of_residues, int first_residue_index=0, double volume=-1)
Create a coarse grained molecule.
Atoms get_psi_dihedral_atoms(Residue rd)
Return the atoms comprising the psi dihedral.
Abstract class for scoring object(s) of type ParticleIndex.
ParticlesTemp get_order(const Subset &s, const SubsetFilterTables &sft)
Bond create_bond(Bonded a, Bonded b, Int t)
Connect the two wrapped particles by a bond.
double get_rotational_diffusion_coefficient(const algebra::Rotation3Ds &orientations, double dt)
Base class for all optimizers.
Definition: Optimizer.h:46
double get_rmsd(const Vector3DsOrXYZs0 &m1, const Vector3DsOrXYZs1 &m2)
Hierarchy get_previous_residue(Residue rd)
Return the residue from the same chain with one lower index.
SecondaryStructureResidue setup_coarse_secondary_structure_residue(const Particles &ssr_ps, Model *mdl, bool winner_takes_all_per_res=false)
Coarsen some SecondaryStructureResidues.
double get_molarity(double n, double volume)
Definition: estimates.h:92
boost::graph HierarchyTree
A graph for representing a Hierarchy so you can view it nicely.
Hierarchy read_mol2(TextInput mol2_file, Model *model, Mol2Selector *mol2sel=nullptr)
Create a hierarchy from a Mol2 file.
Version and module information for Objects.
Definition: VersionInfo.h:29
double get_radius_of_gyration(const Vector3Ds &ps)
Return the radius of gyration of a set of points.
Definition: Vector3D.h:77
A decorator for a particle with x,y,z coordinates.
Definition: XYZ.h:30
void add_loop_statistical_score_data(atom::Hierarchy h)
Restraint * create_internal_connectivity_restraint(const Selection &s, double k, std::string name="Connectivity%1%")
Create a restraint connecting the selection.
void write_mol2(Hierarchy rhd, TextOutput file_name)
Write a ligand hierarchy as a mol2 file.
Hierarchy read_pdb(TextInput input, Model *model, PDBSelector *selector=get_default_pdb_selector(), bool select_first_model=true)
Read all the molecules in the first model of the PDB file.
int get_state_index(Hierarchy h)
Walk up the hierarchy to find the current state.
SecondaryStructureResidues setup_coarse_secondary_structure_residues(const Particles &ssr_ps, Model *mdl, int coarse_factor, int start_res_num, bool winner_takes_all_per_res=false)
void add_protein_ligand_score_data(Hierarchy h)
Interface to specialized Particle types (e.g. atoms)
Definition: Decorator.h:118
std::string get_molecule_name(Hierarchy h)
std::ostream & show(Hierarchy h, std::ostream &out=std::cout)
Print the hierarchy using a given decorator to display each node.
Vector< Atoms > get_chi_dihedral_atoms(Residue rd)
Hierarchies read_multimodel_pdb_or_mmcif(TextInput input, Model *model, PDBSelector *selector=get_default_pdb_selector())
Read all models from the PDB or mmCIF file.
Definition: mmcif.h:60
double get_pairwise_rmsd_score(const core::XYZs &ref1, const core::XYZs &ref2, const core::XYZs &mdl1, const core::XYZs &mdl2)
Measure the RMSD between two placements of the same set of points.
double get_force_in_femto_newtons(double force_in_kcal_per_mol_per_angstrom)
Convert force from kcal/mol/A to femtonewtons.
Basic functionality that is expected to be used by a wide variety of IMP users.
Abstract predicate function.
Definition: PairPredicate.h:31
General purpose algebraic and geometric methods that are expected to be used by a wide variety of IMP...
Hierarchies read_multimodel_pdb(TextInput input, Model *model, PDBSelector *selector=get_default_pdb_selector())
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
Residue get_residue(Atom d, bool nothrow=false)
Return the Residue containing this atom.
Shared optimizer state that is invoked upon commitment of new coordinates.
Hierarchy get_root(Hierarchy h)
Return the root of the hierarchy.
Abstract class to implement hierarchical methods.
Definition: Refiner.h:34
void add_dope_score_data(atom::Hierarchy h)
Bond get_bond(Bonded a, Bonded b)
Get the bond between two particles.
std::string show_graphviz(Graph g)
Restraint * create_distance_restraint(const Selection &n0, const Selection &n1, double x0, double k, std::string name="Distance%1%")
Representation get_representation(Hierarchy h, bool nothrow=false)
Return the Representation object containing this hierarchy.
FloatPair get_placement_score(const core::XYZs &source, const core::XYZs &target)
Measure the difference between two placements of the same set of points.
void write_multimodel_pdb(const Hierarchies &mhd, TextOutput out)
int get_copy_index(Hierarchy h)
Walk up the hierarchy to find the current copy index.
A decorator for helping deal with a generalized hierarchy.
double get_maximum_time_step_estimate(BrownianDynamics *bd)
double get_diffusion_coefficient(const algebra::Vector3Ds &displacements, double dt)
double get_surface_area(const Geometry &)
Compute the surface area of any volumetric object.
double get_resolution(Model *m, ParticleIndex pi)
Estimate the resolution of the hierarchy as used by Representation.
double get_rmsd_transforming_first(const Transformation3D &tr, const Vector3DsOrXYZs0 &m1, const Vector3DsOrXYZs1 &m2)
Calculate the root mean square deviation between two sets of 3D points.
Hierarchy create_simplified_assembly_from_volume(Hierarchy h, double resolution)
Output IMP model data in various file formats.
std::string get_chain_id(Hierarchy h)
Walk up the hierarchy to determine the chain id.
IMP::core::RigidBody create_rigid_body(const Hierarchies &h, std::string name=std::string("created rigid body"))
Rigidify a molecule or collection of molecules.
CHARMMParameters * get_all_atom_CHARMM_parameters()
Hierarchies get_leaves(const Selection &h)
double get_einstein_diffusion_coefficient(double r, double temp=-1)
double get_drmsd_Q(const Vector3DsOrXYZs0 &m0, const Vector3DsOrXYZs1 &m1, double threshold)
Definition: atom/distance.h:85
DensityMap * get_segment(DensityMap *map_to_segment, int nx_start, int nx_end, int ny_start, int ny_end, int nz_start, int nz_end)
Get a segment of the map according to xyz indexes.
Applies a PairScore to each Pair in a list.
Hierarchy get_next_residue(Residue rd)
Return the residue from the same chain with one higher index.
Restraint * create_connectivity_restraint(const Selections &s, double k, std::string name="Connectivity%1%")
Create a restraint connecting the selections.
void add_bonds(Hierarchy d, const ForceFieldParameters *ffp=get_all_atom_CHARMM_parameters())
Add bonds using definitions from given force field parameters.
void set_check_level(CheckLevel tf)
Control runtime checks in the code.
Definition: exception.h:72
double get_diffusion_length(double D, double t)
std::string get_module_version()
Return the version of this module, as a string.
A restraint is a term in an IMP ScoringFunction.
Definition: Restraint.h:53
A decorator for a particle with x,y,z coordinates and a radius.
Definition: XYZR.h:27