IMP logo
IMP Reference Guide  2.13.0
The Integrative Modeling Platform
atom/__init__.py
1 # This file was automatically generated by SWIG (http://www.swig.org).
2 # Version 3.0.10
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 # This wrapper is part of IMP,
8 # Copyright 2007-2020 IMP Inventors. All rights reserved.
9 
10 from __future__ import print_function, division, absolute_import
11 
12 
13 
14 
15 from sys import version_info as _swig_python_version_info
16 if _swig_python_version_info >= (2, 7, 0):
17  def swig_import_helper():
18  import importlib
19  pkg = __name__.rpartition('.')[0]
20  mname = '.'.join((pkg, '_IMP_atom')).lstrip('.')
21  try:
22  return importlib.import_module(mname)
23  except ImportError:
24  return importlib.import_module('_IMP_atom')
25  _IMP_atom = swig_import_helper()
26  del swig_import_helper
27 elif _swig_python_version_info >= (2, 6, 0):
28  def swig_import_helper():
29  from os.path import dirname
30  import imp
31  fp = None
32  try:
33  fp, pathname, description = imp.find_module('_IMP_atom', [dirname(__file__)])
34  except ImportError:
35  import _IMP_atom
36  return _IMP_atom
37  if fp is not None:
38  try:
39  _mod = imp.load_module('_IMP_atom', fp, pathname, description)
40  finally:
41  fp.close()
42  return _mod
43  _IMP_atom = swig_import_helper()
44  del swig_import_helper
45 else:
46  import _IMP_atom
47 del _swig_python_version_info
48 try:
49  _swig_property = property
50 except NameError:
51  pass # Python < 2.2 doesn't have 'property'.
52 
53 try:
54  import builtins as __builtin__
55 except ImportError:
56  import __builtin__
57 
58 def _swig_setattr_nondynamic(self, class_type, name, value, static=1):
59  if (name == "thisown"):
60  return self.this.own(value)
61  if (name == "this"):
62  if type(value).__name__ == 'SwigPyObject':
63  self.__dict__[name] = value
64  return
65  method = class_type.__swig_setmethods__.get(name, None)
66  if method:
67  return method(self, value)
68  if (not static):
69  object.__setattr__(self, name, value)
70  else:
71  raise AttributeError("You cannot add attributes to %s" % self)
72 
73 
74 def _swig_setattr(self, class_type, name, value):
75  return _swig_setattr_nondynamic(self, class_type, name, value, 0)
76 
77 
78 def _swig_getattr(self, class_type, name):
79  if (name == "thisown"):
80  return self.this.own()
81  method = class_type.__swig_getmethods__.get(name, None)
82  if method:
83  return method(self)
84  raise AttributeError("'%s' object has no attribute '%s'" % (class_type.__name__, name))
85 
86 
87 def _swig_repr(self):
88  try:
89  strthis = "proxy of " + self.this.__repr__()
90  except __builtin__.Exception:
91  strthis = ""
92  return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
93 
94 
95 def _swig_setattr_nondynamic_method(set):
96  def set_attr(self, name, value):
97  if (name == "thisown"):
98  return self.this.own(value)
99  if hasattr(self, name) or (name == "this"):
100  set(self, name, value)
101  else:
102  raise AttributeError("You cannot add attributes to %s" % self)
103  return set_attr
104 
105 
106 try:
107  import weakref
108  weakref_proxy = weakref.proxy
109 except __builtin__.Exception:
110  weakref_proxy = lambda x: x
111 
112 
113 class IMP_ATOM_SwigPyIterator(object):
114  """Proxy of C++ swig::IMP_ATOM_SwigPyIterator class."""
115 
116  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
117 
118  def __init__(self, *args, **kwargs):
119  raise AttributeError("No constructor defined - class is abstract")
120  __repr__ = _swig_repr
121  __swig_destroy__ = _IMP_atom.delete_IMP_ATOM_SwigPyIterator
122  __del__ = lambda self: None
123 
124  def value(self):
125  """value(IMP_ATOM_SwigPyIterator self) -> PyObject *"""
126  return _IMP_atom.IMP_ATOM_SwigPyIterator_value(self)
127 
128 
129  def incr(self, n=1):
130  """
131  incr(IMP_ATOM_SwigPyIterator self, size_t n=1) -> IMP_ATOM_SwigPyIterator
132  incr(IMP_ATOM_SwigPyIterator self) -> IMP_ATOM_SwigPyIterator
133  """
134  return _IMP_atom.IMP_ATOM_SwigPyIterator_incr(self, n)
135 
136 
137  def decr(self, n=1):
138  """
139  decr(IMP_ATOM_SwigPyIterator self, size_t n=1) -> IMP_ATOM_SwigPyIterator
140  decr(IMP_ATOM_SwigPyIterator self) -> IMP_ATOM_SwigPyIterator
141  """
142  return _IMP_atom.IMP_ATOM_SwigPyIterator_decr(self, n)
143 
144 
145  def distance(self, x):
146  """distance(IMP_ATOM_SwigPyIterator self, IMP_ATOM_SwigPyIterator x) -> ptrdiff_t"""
147  return _IMP_atom.IMP_ATOM_SwigPyIterator_distance(self, x)
148 
149 
150  def equal(self, x):
151  """equal(IMP_ATOM_SwigPyIterator self, IMP_ATOM_SwigPyIterator x) -> bool"""
152  return _IMP_atom.IMP_ATOM_SwigPyIterator_equal(self, x)
153 
154 
155  def copy(self):
156  """copy(IMP_ATOM_SwigPyIterator self) -> IMP_ATOM_SwigPyIterator"""
157  return _IMP_atom.IMP_ATOM_SwigPyIterator_copy(self)
158 
159 
160  def next(self):
161  """next(IMP_ATOM_SwigPyIterator self) -> PyObject *"""
162  return _IMP_atom.IMP_ATOM_SwigPyIterator_next(self)
163 
164 
165  def __next__(self):
166  """__next__(IMP_ATOM_SwigPyIterator self) -> PyObject *"""
167  return _IMP_atom.IMP_ATOM_SwigPyIterator___next__(self)
168 
169 
170  def previous(self):
171  """previous(IMP_ATOM_SwigPyIterator self) -> PyObject *"""
172  return _IMP_atom.IMP_ATOM_SwigPyIterator_previous(self)
173 
174 
175  def advance(self, n):
176  """advance(IMP_ATOM_SwigPyIterator self, ptrdiff_t n) -> IMP_ATOM_SwigPyIterator"""
177  return _IMP_atom.IMP_ATOM_SwigPyIterator_advance(self, n)
178 
179 
180  def __eq__(self, x):
181  """__eq__(IMP_ATOM_SwigPyIterator self, IMP_ATOM_SwigPyIterator x) -> bool"""
182  return _IMP_atom.IMP_ATOM_SwigPyIterator___eq__(self, x)
183 
184 
185  def __ne__(self, x):
186  """__ne__(IMP_ATOM_SwigPyIterator self, IMP_ATOM_SwigPyIterator x) -> bool"""
187  return _IMP_atom.IMP_ATOM_SwigPyIterator___ne__(self, x)
188 
189 
190  def __iadd__(self, n):
191  """__iadd__(IMP_ATOM_SwigPyIterator self, ptrdiff_t n) -> IMP_ATOM_SwigPyIterator"""
192  return _IMP_atom.IMP_ATOM_SwigPyIterator___iadd__(self, n)
193 
194 
195  def __isub__(self, n):
196  """__isub__(IMP_ATOM_SwigPyIterator self, ptrdiff_t n) -> IMP_ATOM_SwigPyIterator"""
197  return _IMP_atom.IMP_ATOM_SwigPyIterator___isub__(self, n)
198 
199 
200  def __add__(self, n):
201  """__add__(IMP_ATOM_SwigPyIterator self, ptrdiff_t n) -> IMP_ATOM_SwigPyIterator"""
202  return _IMP_atom.IMP_ATOM_SwigPyIterator___add__(self, n)
203 
204 
205  def __sub__(self, *args):
206  """
207  __sub__(IMP_ATOM_SwigPyIterator self, ptrdiff_t n) -> IMP_ATOM_SwigPyIterator
208  __sub__(IMP_ATOM_SwigPyIterator self, IMP_ATOM_SwigPyIterator x) -> ptrdiff_t
209  """
210  return _IMP_atom.IMP_ATOM_SwigPyIterator___sub__(self, *args)
211 
212  def __iter__(self):
213  return self
214 IMP_ATOM_SwigPyIterator_swigregister = _IMP_atom.IMP_ATOM_SwigPyIterator_swigregister
215 IMP_ATOM_SwigPyIterator_swigregister(IMP_ATOM_SwigPyIterator)
216 
217 
218 _value_types=[]
219 _object_types=[]
220 _raii_types=[]
221 _plural_types=[]
222 
223 IMP_DEBUG = _IMP_atom.IMP_DEBUG
224 IMP_RELEASE = _IMP_atom.IMP_RELEASE
225 IMP_SILENT = _IMP_atom.IMP_SILENT
226 IMP_PROGRESS = _IMP_atom.IMP_PROGRESS
227 IMP_TERSE = _IMP_atom.IMP_TERSE
228 IMP_VERBOSE = _IMP_atom.IMP_VERBOSE
229 IMP_MEMORY = _IMP_atom.IMP_MEMORY
230 IMP_NONE = _IMP_atom.IMP_NONE
231 IMP_USAGE = _IMP_atom.IMP_USAGE
232 IMP_INTERNAL = _IMP_atom.IMP_INTERNAL
233 IMP_KERNEL_HAS_LOG4CXX = _IMP_atom.IMP_KERNEL_HAS_LOG4CXX
234 IMP_COMPILER_HAS_AUTO = _IMP_atom.IMP_COMPILER_HAS_AUTO
235 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_atom.IMP_COMPILER_HAS_DEBUG_VECTOR
236 IMP_COMPILER_HAS_UNIQUE_PTR = _IMP_atom.IMP_COMPILER_HAS_UNIQUE_PTR
237 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_atom.IMP_KERNEL_HAS_BOOST_RANDOM
238 IMP_KERNEL_HAS_NUMPY = _IMP_atom.IMP_KERNEL_HAS_NUMPY
239 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_atom.IMP_KERNEL_HAS_GPERFTOOLS
240 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_atom.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
241 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_atom.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
242 IMPKERNEL_SHOW_WARNINGS = _IMP_atom.IMPKERNEL_SHOW_WARNINGS
243 
244 import sys
245 class _DirectorObjects(object):
246  """@internal Simple class to keep references to director objects
247  to prevent premature deletion."""
248  def __init__(self):
249  self._objects = []
250  def register(self, obj):
251  """Take a reference to a director object; will only work for
252  refcounted C++ classes"""
253  if hasattr(obj, 'get_ref_count'):
254  self._objects.append(obj)
255  def cleanup(self):
256  """Only drop our reference and allow cleanup by Python if no other
257  Python references exist (we hold 3 references: one in self._objects,
258  one in x, and one in the argument list for getrefcount) *and* no
259  other C++ references exist (the Python object always holds one)"""
260  objs = [x for x in self._objects if sys.getrefcount(x) > 3 \
261  or x.get_ref_count() > 1]
262 # Do in two steps so the references are kept until the end of the
263 # function (deleting references may trigger a fresh call to this method)
264  self._objects = objs
265  def get_object_count(self):
266  """Get number of director objects (useful for testing only)"""
267  return len(self._objects)
268 _director_objects = _DirectorObjects()
269 
270 class _ostream(object):
271  """Proxy of C++ std::ostream class."""
272 
273  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
274 
275  def __init__(self, *args, **kwargs):
276  raise AttributeError("No constructor defined")
277  __repr__ = _swig_repr
278 
279  def write(self, osa_buf):
280  """write(_ostream self, char const * osa_buf)"""
281  return _IMP_atom._ostream_write(self, osa_buf)
282 
283 _ostream_swigregister = _IMP_atom._ostream_swigregister
284 _ostream_swigregister(_ostream)
285 
286 IMP_COMPILER_HAS_OVERRIDE = _IMP_atom.IMP_COMPILER_HAS_OVERRIDE
287 IMP_COMPILER_HAS_FINAL = _IMP_atom.IMP_COMPILER_HAS_FINAL
288 IMP_HAS_NOEXCEPT = _IMP_atom.IMP_HAS_NOEXCEPT
289 IMP_C_OPEN_BINARY = _IMP_atom.IMP_C_OPEN_BINARY
290 import IMP
291 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_CGAL_HAS_BOOST_FILESYSTEM
292 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
293 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_atom.IMP_CGAL_HAS_BOOST_RANDOM
294 IMP_CGAL_HAS_BOOST_SYSTEM = _IMP_atom.IMP_CGAL_HAS_BOOST_SYSTEM
295 IMP_CGAL_HAS_NUMPY = _IMP_atom.IMP_CGAL_HAS_NUMPY
296 IMPCGAL_SHOW_WARNINGS = _IMP_atom.IMPCGAL_SHOW_WARNINGS
297 import IMP.cgal
298 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_atom.IMP_ALGEBRA_HAS_IMP_CGAL
299 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
300 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
301 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_atom.IMP_ALGEBRA_HAS_BOOST_RANDOM
302 IMP_ALGEBRA_HAS_BOOST_SYSTEM = _IMP_atom.IMP_ALGEBRA_HAS_BOOST_SYSTEM
303 IMP_ALGEBRA_HAS_CGAL = _IMP_atom.IMP_ALGEBRA_HAS_CGAL
304 IMP_ALGEBRA_HAS_NUMPY = _IMP_atom.IMP_ALGEBRA_HAS_NUMPY
305 IMP_ALGEBRA_HAS_ANN = _IMP_atom.IMP_ALGEBRA_HAS_ANN
306 IMPALGEBRA_SHOW_WARNINGS = _IMP_atom.IMPALGEBRA_SHOW_WARNINGS
307 import IMP.algebra
308 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_atom.IMP_DISPLAY_HAS_IMP_CGAL
309 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
310 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
311 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_atom.IMP_DISPLAY_HAS_BOOST_RANDOM
312 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_atom.IMP_DISPLAY_HAS_BOOST_SYSTEM
313 IMP_DISPLAY_HAS_CGAL = _IMP_atom.IMP_DISPLAY_HAS_CGAL
314 IMP_DISPLAY_HAS_NUMPY = _IMP_atom.IMP_DISPLAY_HAS_NUMPY
315 IMPDISPLAY_SHOW_WARNINGS = _IMP_atom.IMPDISPLAY_SHOW_WARNINGS
316 import IMP.display
317 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
318 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
319 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
320 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
321 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
322 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_CGAL
323 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_HDF5
324 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_NUMPY
325 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_atom.IMPSCOREFUNCTOR_SHOW_WARNINGS
326 import IMP.score_functor
327 IMP_CORE_HAS_IMP_CGAL = _IMP_atom.IMP_CORE_HAS_IMP_CGAL
328 IMP_CORE_HAS_IMP_KERNEL = _IMP_atom.IMP_CORE_HAS_IMP_KERNEL
329 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_CORE_HAS_BOOST_FILESYSTEM
330 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
331 IMP_CORE_HAS_BOOST_RANDOM = _IMP_atom.IMP_CORE_HAS_BOOST_RANDOM
332 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_atom.IMP_CORE_HAS_BOOST_SYSTEM
333 IMP_CORE_HAS_CGAL = _IMP_atom.IMP_CORE_HAS_CGAL
334 IMP_CORE_HAS_HDF5 = _IMP_atom.IMP_CORE_HAS_HDF5
335 IMP_CORE_HAS_NUMPY = _IMP_atom.IMP_CORE_HAS_NUMPY
336 IMPCORE_SHOW_WARNINGS = _IMP_atom.IMPCORE_SHOW_WARNINGS
337 import IMP.core
338 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_atom.IMP_CONTAINER_HAS_IMP_ALGEBRA
339 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_atom.IMP_CONTAINER_HAS_IMP_CGAL
340 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_atom.IMP_CONTAINER_HAS_IMP_DISPLAY
341 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_atom.IMP_CONTAINER_HAS_IMP_KERNEL
342 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_atom.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
343 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
344 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
345 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_atom.IMP_CONTAINER_HAS_BOOST_RANDOM
346 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_atom.IMP_CONTAINER_HAS_BOOST_SYSTEM
347 IMP_CONTAINER_HAS_CGAL = _IMP_atom.IMP_CONTAINER_HAS_CGAL
348 IMP_CONTAINER_HAS_HDF5 = _IMP_atom.IMP_CONTAINER_HAS_HDF5
349 IMP_CONTAINER_HAS_NUMPY = _IMP_atom.IMP_CONTAINER_HAS_NUMPY
350 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_atom.IMP_CONTAINER_HAS_PYTHON_IHM
351 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_atom.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
352 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_atom.IMP_CONTAINER_HAS_ROBIN_MAP
353 IMPCONTAINER_SHOW_WARNINGS = _IMP_atom.IMPCONTAINER_SHOW_WARNINGS
354 import IMP.container
355 IMP_ATOM_HAS_IMP_CGAL = _IMP_atom.IMP_ATOM_HAS_IMP_CGAL
356 IMP_ATOM_HAS_IMP_KERNEL = _IMP_atom.IMP_ATOM_HAS_IMP_KERNEL
357 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_atom.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
358 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
359 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_atom.IMP_ATOM_HAS_BOOST_RANDOM
360 IMP_ATOM_HAS_BOOST_REGEX = _IMP_atom.IMP_ATOM_HAS_BOOST_REGEX
361 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_atom.IMP_ATOM_HAS_BOOST_SYSTEM
362 IMP_ATOM_HAS_CGAL = _IMP_atom.IMP_ATOM_HAS_CGAL
363 IMP_ATOM_HAS_HDF5 = _IMP_atom.IMP_ATOM_HAS_HDF5
364 IMP_ATOM_HAS_NUMPY = _IMP_atom.IMP_ATOM_HAS_NUMPY
365 IMP_ATOM_HAS_PYTHON_IHM = _IMP_atom.IMP_ATOM_HAS_PYTHON_IHM
366 IMPATOM_SHOW_WARNINGS = _IMP_atom.IMPATOM_SHOW_WARNINGS
367 IMP_ATOM_TYPE_INDEX = _IMP_atom.IMP_ATOM_TYPE_INDEX
368 IMP_RESIDUE_TYPE_INDEX = _IMP_atom.IMP_RESIDUE_TYPE_INDEX
369 IMP_HIERARCHY_TYPE_INDEX = _IMP_atom.IMP_HIERARCHY_TYPE_INDEX
370 IMP_CHAIN_TYPE_INDEX = _IMP_atom.IMP_CHAIN_TYPE_INDEX
372  """Proxy of C++ IMP::internal::BoostDigraph<(IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex)> class."""
373 
374  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
375  __repr__ = _swig_repr
376 
377  def __init__(self):
378  """__init__(IMP::internal::BoostDigraph<(IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex)> self) -> HierarchyTree"""
379  this = _IMP_atom.new_HierarchyTree()
380  try:
381  self.this.append(this)
382  except __builtin__.Exception:
383  self.this = this
384 
385  def get_graph(self):
386  """get_graph(HierarchyTree self) -> IMP::atom::HierarchyTree const &"""
387  return _IMP_atom.HierarchyTree_get_graph(self)
388 
389 
390  def get_vertices(self):
391  """get_vertices(HierarchyTree self) -> IMP::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptors"""
392  return _IMP_atom.HierarchyTree_get_vertices(self)
393 
394 
395  def get_vertex_name(self, i):
396  """get_vertex_name(HierarchyTree self, IMP::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor i) -> Hierarchy"""
397  return _IMP_atom.HierarchyTree_get_vertex_name(self, i)
398 
399 
400  def get_in_neighbors(self, v):
401  """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"""
402  return _IMP_atom.HierarchyTree_get_in_neighbors(self, v)
403 
404 
405  def get_out_neighbors(self, v):
406  """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"""
407  return _IMP_atom.HierarchyTree_get_out_neighbors(self, v)
408 
409 
410  def show_graphviz(self, *args):
411  """
412  show_graphviz(HierarchyTree self, _ostream out)
413  show_graphviz(HierarchyTree self)
414  """
415  return _IMP_atom.HierarchyTree_show_graphviz(self, *args)
416 
417 
418  def get_graphviz_string(self):
419  """get_graphviz_string(HierarchyTree self) -> std::string"""
420  return _IMP_atom.HierarchyTree_get_graphviz_string(self)
421 
422 
423  def add_edge(self, v0, v1):
424  """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)"""
425  return _IMP_atom.HierarchyTree_add_edge(self, v0, v1)
426 
427 
428  def add_vertex(self, l):
429  """add_vertex(HierarchyTree self, Hierarchy l) -> IMP::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor"""
430  return _IMP_atom.HierarchyTree_add_vertex(self, l)
431 
432 
433  def remove_vertex(self, l):
434  """remove_vertex(HierarchyTree self, IMP::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor l)"""
435  return _IMP_atom.HierarchyTree_remove_vertex(self, l)
436 
437  __swig_destroy__ = _IMP_atom.delete_HierarchyTree
438  __del__ = lambda self: None
439 HierarchyTree_swigregister = _IMP_atom.HierarchyTree_swigregister
440 HierarchyTree_swigregister(HierarchyTree)
441 
442 
443 _value_types.append("HierarchyTree")
444 
445 
446 _object_types.append("PDBSelector")
447 
448 
449 def _object_cast_to_PDBSelector(o):
450  """_object_cast_to_PDBSelector(Object o) -> PDBSelector"""
451  return _IMP_atom._object_cast_to_PDBSelector(o)
452 
453 def Angles(l=[]):
454  return [Angle(x) for x in l]
455 _plural_types.append("Angles")
456 
457 
458 _value_types.append("Angle")
459 
460 
461 def Atoms(l=[]):
462  return [Atom(x) for x in l]
463 _plural_types.append("Atoms")
464 
465 
466 _value_types.append("Atom")
467 
468 
469 def Bonds(l=[]):
470  return [Bond(x) for x in l]
471 _plural_types.append("Bonds")
472 
473 
474 _value_types.append("Bond")
475 
476 
477 def Bondeds(l=[]):
478  return [Bonded(x) for x in l]
479 _plural_types.append("Bondeds")
480 
481 
482 _value_types.append("Bonded")
483 
484 
485 def CHARMMAtomList(l=[]):
486  return [CHARMMAtom(x) for x in l]
487 _plural_types.append("CHARMMAtomList")
488 
489 
490 _value_types.append("CHARMMAtom")
491 
492 
493 def Chains(l=[]):
494  return [Chain(x) for x in l]
495 _plural_types.append("Chains")
496 
497 
498 _value_types.append("Chain")
499 
500 
501 def CenterOfMasses(l=[]):
502  return [CenterOfMass(x) for x in l]
503 _plural_types.append("CenterOfMasses")
504 
505 
506 _value_types.append("CenterOfMass")
507 
508 
509 def Chargeds(l=[]):
510  return [Charged(x) for x in l]
511 _plural_types.append("Chargeds")
512 
513 
514 _value_types.append("Charged")
515 
516 
517 def Diffusions(l=[]):
518  return [Diffusion(x) for x in l]
519 _plural_types.append("Diffusions")
520 
521 
522 _value_types.append("Diffusion")
523 
524 
525 def RigidBodyDiffusions(l=[]):
526  return [RigidBodyDiffusion(x) for x in l]
527 _plural_types.append("RigidBodyDiffusions")
528 
529 
530 _value_types.append("RigidBodyDiffusion")
531 
532 
533 def TAMDParticles(l=[]):
534  return [TAMDParticle(x) for x in l]
535 _plural_types.append("TAMDParticles")
536 
537 
538 _value_types.append("TAMDParticle")
539 
540 
541 def TAMDCentroids(l=[]):
542  return [TAMDCentroid(x) for x in l]
543 _plural_types.append("TAMDCentroids")
544 
545 
546 _value_types.append("TAMDCentroid")
547 
548 
549 def Dihedrals(l=[]):
550  return [Dihedral(x) for x in l]
551 _plural_types.append("Dihedrals")
552 
553 
554 _value_types.append("Dihedral")
555 
556 
557 def Domains(l=[]):
558  return [Domain(x) for x in l]
559 _plural_types.append("Domains")
560 
561 
562 _value_types.append("Domain")
563 
564 
565 def Fragments(l=[]):
566  return [Fragment(x) for x in l]
567 _plural_types.append("Fragments")
568 
569 
570 _value_types.append("Fragment")
571 
572 
573 def Hierarchies(l=[]):
574  return [Hierarchy(x) for x in l]
575 _plural_types.append("Hierarchies")
576 
577 
578 _value_types.append("Hierarchy")
579 
580 
581 def LennardJonesList(l=[]):
582  return [LennardJones(x) for x in l]
583 _plural_types.append("LennardJonesList")
584 
585 
586 _value_types.append("LennardJones")
587 
588 
589 def Masses(l=[]):
590  return [Mass(x) for x in l]
591 _plural_types.append("Masses")
592 
593 
594 _value_types.append("Mass")
595 
596 
597 def LinearVelocities(l=[]):
598  return [LinearVelocity(x) for x in l]
599 _plural_types.append("LinearVelocities")
600 
601 
602 _value_types.append("LinearVelocity")
603 
604 
605 def AngularVelocities(l=[]):
606  return [AngularVelocity(x) for x in l]
607 _plural_types.append("AngularVelocities")
608 
609 
610 _value_types.append("AngularVelocity")
611 
612 
613 def Molecules(l=[]):
614  return [Molecule(x) for x in l]
615 _plural_types.append("Molecules")
616 
617 
618 _value_types.append("Molecule")
619 
620 
621 def Residues(l=[]):
622  return [Residue(x) for x in l]
623 _plural_types.append("Residues")
624 
625 
626 _value_types.append("Residue")
627 
628 
629 def Representations(l=[]):
630  return [Representation(x) for x in l]
631 _plural_types.append("Representations")
632 
633 
634 _value_types.append("Representation")
635 
636 
637 def States(l=[]):
638  return [State(x) for x in l]
639 _plural_types.append("States")
640 
641 
642 _value_types.append("State")
643 
644 
645 def Copies(l=[]):
646  return [Copy(x) for x in l]
647 _plural_types.append("Copies")
648 
649 
650 _value_types.append("Copy")
651 
652 
653 def SecondaryStructureResidues(l=[]):
654  return [SecondaryStructureResidue(x) for x in l]
655 _plural_types.append("SecondaryStructureResidues")
656 
657 
658 _value_types.append("SecondaryStructureResidue")
659 
660 
661 def StructureSources(l=[]):
662  return [StructureSource(x) for x in l]
663 _plural_types.append("StructureSources")
664 
665 
666 _value_types.append("StructureSource")
667 
668 
669 _object_types.append("Simulator")
670 
671 
672 def _object_cast_to_Simulator(o):
673  """_object_cast_to_Simulator(Object o) -> Simulator"""
674  return _IMP_atom._object_cast_to_Simulator(o)
675 
676 _object_types.append("ATOMPDBSelector")
677 
678 
679 def _object_cast_to_ATOMPDBSelector(o):
680  """_object_cast_to_ATOMPDBSelector(Object o) -> ATOMPDBSelector"""
681  return _IMP_atom._object_cast_to_ATOMPDBSelector(o)
682 
683 _object_types.append("AllMol2Selector")
684 
685 
686 def _object_cast_to_AllMol2Selector(o):
687  """_object_cast_to_AllMol2Selector(Object o) -> AllMol2Selector"""
688  return _IMP_atom._object_cast_to_AllMol2Selector(o)
689 
690 _object_types.append("AllPDBSelector")
691 
692 
693 def _object_cast_to_AllPDBSelector(o):
694  """_object_cast_to_AllPDBSelector(Object o) -> AllPDBSelector"""
695  return _IMP_atom._object_cast_to_AllPDBSelector(o)
696 
697 _object_types.append("AndPDBSelector")
698 
699 
700 def _object_cast_to_AndPDBSelector(o):
701  """_object_cast_to_AndPDBSelector(Object o) -> AndPDBSelector"""
702  return _IMP_atom._object_cast_to_AndPDBSelector(o)
703 
704 _object_types.append("XorPDBSelector")
705 
706 
707 def _object_cast_to_XorPDBSelector(o):
708  """_object_cast_to_XorPDBSelector(Object o) -> XorPDBSelector"""
709  return _IMP_atom._object_cast_to_XorPDBSelector(o)
710 
711 _object_types.append("ResidueTypePDBSelector")
712 
713 
714 def _object_cast_to_ResidueTypePDBSelector(o):
715  """_object_cast_to_ResidueTypePDBSelector(Object o) -> ResidueTypePDBSelector"""
716  return _IMP_atom._object_cast_to_ResidueTypePDBSelector(o)
717 
718 _object_types.append("AtomTypePDBSelector")
719 
720 
721 def _object_cast_to_AtomTypePDBSelector(o):
722  """_object_cast_to_AtomTypePDBSelector(Object o) -> AtomTypePDBSelector"""
723  return _IMP_atom._object_cast_to_AtomTypePDBSelector(o)
724 
725 _object_types.append("AngleSingletonScore")
726 
727 
728 def _object_cast_to_AngleSingletonScore(o):
729  """_object_cast_to_AngleSingletonScore(Object o) -> AngleSingletonScore"""
730  return _IMP_atom._object_cast_to_AngleSingletonScore(o)
731 
732 _object_types.append("BondEndpointsRefiner")
733 
734 
735 def _object_cast_to_BondEndpointsRefiner(o):
736  """_object_cast_to_BondEndpointsRefiner(Object o) -> BondEndpointsRefiner"""
737  return _IMP_atom._object_cast_to_BondEndpointsRefiner(o)
738 
739 _object_types.append("BondPairContainer")
740 
741 
742 def _object_cast_to_BondPairContainer(o):
743  """_object_cast_to_BondPairContainer(Object o) -> BondPairContainer"""
744  return _IMP_atom._object_cast_to_BondPairContainer(o)
745 
746 _object_types.append("BondSingletonScore")
747 
748 
749 def _object_cast_to_BondSingletonScore(o):
750  """_object_cast_to_BondSingletonScore(Object o) -> BondSingletonScore"""
751  return _IMP_atom._object_cast_to_BondSingletonScore(o)
752 
753 _object_types.append("BondedPairFilter")
754 
755 
756 def _object_cast_to_BondedPairFilter(o):
757  """_object_cast_to_BondedPairFilter(Object o) -> BondedPairFilter"""
758  return _IMP_atom._object_cast_to_BondedPairFilter(o)
759 
760 _object_types.append("BrownianDynamics")
761 
762 
763 def _object_cast_to_BrownianDynamics(o):
764  """_object_cast_to_BrownianDynamics(Object o) -> BrownianDynamics"""
765  return _IMP_atom._object_cast_to_BrownianDynamics(o)
766 
767 _object_types.append("BrownianDynamicsTAMD")
768 
769 
770 def _object_cast_to_BrownianDynamicsTAMD(o):
771  """_object_cast_to_BrownianDynamicsTAMD(Object o) -> BrownianDynamicsTAMD"""
772  return _IMP_atom._object_cast_to_BrownianDynamicsTAMD(o)
773 
774 _object_types.append("CAlphaPDBSelector")
775 
776 
777 def _object_cast_to_CAlphaPDBSelector(o):
778  """_object_cast_to_CAlphaPDBSelector(Object o) -> CAlphaPDBSelector"""
779  return _IMP_atom._object_cast_to_CAlphaPDBSelector(o)
780 
781 _object_types.append("CBetaPDBSelector")
782 
783 
784 def _object_cast_to_CBetaPDBSelector(o):
785  """_object_cast_to_CBetaPDBSelector(Object o) -> CBetaPDBSelector"""
786  return _IMP_atom._object_cast_to_CBetaPDBSelector(o)
787 
788 _object_types.append("BackbonePDBSelector")
789 
790 
791 def _object_cast_to_BackbonePDBSelector(o):
792  """_object_cast_to_BackbonePDBSelector(Object o) -> BackbonePDBSelector"""
793  return _IMP_atom._object_cast_to_BackbonePDBSelector(o)
794 
795 _object_types.append("CHARMMParameters")
796 
797 
798 def _object_cast_to_CHARMMParameters(o):
799  """_object_cast_to_CHARMMParameters(Object o) -> CHARMMParameters"""
800  return _IMP_atom._object_cast_to_CHARMMParameters(o)
801 
802 _object_types.append("CHARMMResidueTopology")
803 
804 
805 def _object_cast_to_CHARMMResidueTopology(o):
806  """_object_cast_to_CHARMMResidueTopology(Object o) -> CHARMMResidueTopology"""
807  return _IMP_atom._object_cast_to_CHARMMResidueTopology(o)
808 
809 _object_types.append("CHARMMSegmentTopology")
810 
811 
812 def _object_cast_to_CHARMMSegmentTopology(o):
813  """_object_cast_to_CHARMMSegmentTopology(Object o) -> CHARMMSegmentTopology"""
814  return _IMP_atom._object_cast_to_CHARMMSegmentTopology(o)
815 
816 _object_types.append("CHARMMStereochemistryRestraint")
817 
818 
819 def _object_cast_to_CHARMMStereochemistryRestraint(o):
820  """_object_cast_to_CHARMMStereochemistryRestraint(Object o) -> CHARMMStereochemistryRestraint"""
821  return _IMP_atom._object_cast_to_CHARMMStereochemistryRestraint(o)
822 
823 _object_types.append("CHARMMTopology")
824 
825 
826 def _object_cast_to_CHARMMTopology(o):
827  """_object_cast_to_CHARMMTopology(Object o) -> CHARMMTopology"""
828  return _IMP_atom._object_cast_to_CHARMMTopology(o)
829 
830 _object_types.append("CPDBSelector")
831 
832 
833 def _object_cast_to_CPDBSelector(o):
834  """_object_cast_to_CPDBSelector(Object o) -> CPDBSelector"""
835  return _IMP_atom._object_cast_to_CPDBSelector(o)
836 
837 _object_types.append("ChainPDBSelector")
838 
839 
840 def _object_cast_to_ChainPDBSelector(o):
841  """_object_cast_to_ChainPDBSelector(Object o) -> ChainPDBSelector"""
842  return _IMP_atom._object_cast_to_ChainPDBSelector(o)
843 
844 _object_types.append("CoulombPairScore")
845 
846 
847 def _object_cast_to_CoulombPairScore(o):
848  """_object_cast_to_CoulombPairScore(Object o) -> CoulombPairScore"""
849  return _IMP_atom._object_cast_to_CoulombPairScore(o)
850 
851 _object_types.append("CoverBond")
852 
853 
854 def _object_cast_to_CoverBond(o):
855  """_object_cast_to_CoverBond(Object o) -> CoverBond"""
856  return _IMP_atom._object_cast_to_CoverBond(o)
857 
858 _object_types.append("DihedralSingletonScore")
859 
860 
861 def _object_cast_to_DihedralSingletonScore(o):
862  """_object_cast_to_DihedralSingletonScore(Object o) -> DihedralSingletonScore"""
863  return _IMP_atom._object_cast_to_DihedralSingletonScore(o)
864 
865 _object_types.append("DopePairScore")
866 
867 
868 def _object_cast_to_DopePairScore(o):
869  """_object_cast_to_DopePairScore(Object o) -> DopePairScore"""
870  return _IMP_atom._object_cast_to_DopePairScore(o)
871 
872 _object_types.append("OrientedSoapPairScore")
873 
874 
875 def _object_cast_to_OrientedSoapPairScore(o):
876  """_object_cast_to_OrientedSoapPairScore(Object o) -> OrientedSoapPairScore"""
877  return _IMP_atom._object_cast_to_OrientedSoapPairScore(o)
878 
879 _object_types.append("EzRestraint")
880 
881 
882 def _object_cast_to_EzRestraint(o):
883  """_object_cast_to_EzRestraint(Object o) -> EzRestraint"""
884  return _IMP_atom._object_cast_to_EzRestraint(o)
885 
886 _object_types.append("ForceFieldParameters")
887 
888 
889 def _object_cast_to_ForceFieldParameters(o):
890  """_object_cast_to_ForceFieldParameters(Object o) -> ForceFieldParameters"""
891  return _IMP_atom._object_cast_to_ForceFieldParameters(o)
892 
893 _object_types.append("ForceSwitch")
894 
895 
896 def _object_cast_to_ForceSwitch(o):
897  """_object_cast_to_ForceSwitch(Object o) -> ForceSwitch"""
898  return _IMP_atom._object_cast_to_ForceSwitch(o)
899 
900 _object_types.append("HydrogenPDBSelector")
901 
902 
903 def _object_cast_to_HydrogenPDBSelector(o):
904  """_object_cast_to_HydrogenPDBSelector(Object o) -> HydrogenPDBSelector"""
905  return _IMP_atom._object_cast_to_HydrogenPDBSelector(o)
906 
907 _object_types.append("ImproperSingletonScore")
908 
909 
910 def _object_cast_to_ImproperSingletonScore(o):
911  """_object_cast_to_ImproperSingletonScore(Object o) -> ImproperSingletonScore"""
912  return _IMP_atom._object_cast_to_ImproperSingletonScore(o)
913 
914 _object_types.append("LennardJonesPairScore")
915 
916 
917 def _object_cast_to_LennardJonesPairScore(o):
918  """_object_cast_to_LennardJonesPairScore(Object o) -> LennardJonesPairScore"""
919  return _IMP_atom._object_cast_to_LennardJonesPairScore(o)
920 
921 _object_types.append("Mol2Selector")
922 
923 
924 def _object_cast_to_Mol2Selector(o):
925  """_object_cast_to_Mol2Selector(Object o) -> Mol2Selector"""
926  return _IMP_atom._object_cast_to_Mol2Selector(o)
927 
928 _object_types.append("MolecularDynamics")
929 
930 
931 def _object_cast_to_MolecularDynamics(o):
932  """_object_cast_to_MolecularDynamics(Object o) -> MolecularDynamics"""
933  return _IMP_atom._object_cast_to_MolecularDynamics(o)
934 
935 _object_types.append("NPDBSelector")
936 
937 
938 def _object_cast_to_NPDBSelector(o):
939  """_object_cast_to_NPDBSelector(Object o) -> NPDBSelector"""
940  return _IMP_atom._object_cast_to_NPDBSelector(o)
941 
942 _object_types.append("NonAlternativePDBSelector")
943 
944 
945 def _object_cast_to_NonAlternativePDBSelector(o):
946  """_object_cast_to_NonAlternativePDBSelector(Object o) -> NonAlternativePDBSelector"""
947  return _IMP_atom._object_cast_to_NonAlternativePDBSelector(o)
948 
949 _object_types.append("NonHydrogenMol2Selector")
950 
951 
952 def _object_cast_to_NonHydrogenMol2Selector(o):
953  """_object_cast_to_NonHydrogenMol2Selector(Object o) -> NonHydrogenMol2Selector"""
954  return _IMP_atom._object_cast_to_NonHydrogenMol2Selector(o)
955 
956 _object_types.append("NonHydrogenPDBSelector")
957 
958 
959 def _object_cast_to_NonHydrogenPDBSelector(o):
960  """_object_cast_to_NonHydrogenPDBSelector(Object o) -> NonHydrogenPDBSelector"""
961  return _IMP_atom._object_cast_to_NonHydrogenPDBSelector(o)
962 
963 _object_types.append("NonWaterNonHydrogenPDBSelector")
964 
965 
966 def _object_cast_to_NonWaterNonHydrogenPDBSelector(o):
967  """_object_cast_to_NonWaterNonHydrogenPDBSelector(Object o) -> NonWaterNonHydrogenPDBSelector"""
968  return _IMP_atom._object_cast_to_NonWaterNonHydrogenPDBSelector(o)
969 
970 _object_types.append("NonWaterPDBSelector")
971 
972 
973 def _object_cast_to_NonWaterPDBSelector(o):
974  """_object_cast_to_NonWaterPDBSelector(Object o) -> NonWaterPDBSelector"""
975  return _IMP_atom._object_cast_to_NonWaterPDBSelector(o)
976 
977 _object_types.append("NotPDBSelector")
978 
979 
980 def _object_cast_to_NotPDBSelector(o):
981  """_object_cast_to_NotPDBSelector(Object o) -> NotPDBSelector"""
982  return _IMP_atom._object_cast_to_NotPDBSelector(o)
983 
984 _object_types.append("OrPDBSelector")
985 
986 
987 def _object_cast_to_OrPDBSelector(o):
988  """_object_cast_to_OrPDBSelector(Object o) -> OrPDBSelector"""
989  return _IMP_atom._object_cast_to_OrPDBSelector(o)
990 
991 _object_types.append("PPDBSelector")
992 
993 
994 def _object_cast_to_PPDBSelector(o):
995  """_object_cast_to_PPDBSelector(Object o) -> PPDBSelector"""
996  return _IMP_atom._object_cast_to_PPDBSelector(o)
997 
998 _object_types.append("ProteinLigandAtomPairScore")
999 
1000 
1001 def _object_cast_to_ProteinLigandAtomPairScore(o):
1002  """_object_cast_to_ProteinLigandAtomPairScore(Object o) -> ProteinLigandAtomPairScore"""
1003  return _IMP_atom._object_cast_to_ProteinLigandAtomPairScore(o)
1004 
1005 _object_types.append("ProteinLigandRestraint")
1006 
1007 
1008 def _object_cast_to_ProteinLigandRestraint(o):
1009  """_object_cast_to_ProteinLigandRestraint(Object o) -> ProteinLigandRestraint"""
1010  return _IMP_atom._object_cast_to_ProteinLigandRestraint(o)
1011 
1012 _object_types.append("SameResiduePairFilter")
1013 
1014 
1015 def _object_cast_to_SameResiduePairFilter(o):
1016  """_object_cast_to_SameResiduePairFilter(Object o) -> SameResiduePairFilter"""
1017  return _IMP_atom._object_cast_to_SameResiduePairFilter(o)
1018 
1019 _object_types.append("SoapPairFilter")
1020 
1021 
1022 def _object_cast_to_SoapPairFilter(o):
1023  """_object_cast_to_SoapPairFilter(Object o) -> SoapPairFilter"""
1024  return _IMP_atom._object_cast_to_SoapPairFilter(o)
1025 
1026 _object_types.append("SmoothingFunction")
1027 
1028 
1029 def _object_cast_to_SmoothingFunction(o):
1030  """_object_cast_to_SmoothingFunction(Object o) -> SmoothingFunction"""
1031  return _IMP_atom._object_cast_to_SmoothingFunction(o)
1032 
1033 _object_types.append("StereochemistryPairFilter")
1034 
1035 
1036 def _object_cast_to_StereochemistryPairFilter(o):
1037  """_object_cast_to_StereochemistryPairFilter(Object o) -> StereochemistryPairFilter"""
1038  return _IMP_atom._object_cast_to_StereochemistryPairFilter(o)
1039 
1040 _object_types.append("VelocityScalingOptimizerState")
1041 
1042 
1043 def _object_cast_to_VelocityScalingOptimizerState(o):
1044  """_object_cast_to_VelocityScalingOptimizerState(Object o) -> VelocityScalingOptimizerState"""
1045  return _IMP_atom._object_cast_to_VelocityScalingOptimizerState(o)
1046 
1047 _object_types.append("WaterPDBSelector")
1048 
1049 
1050 def _object_cast_to_WaterPDBSelector(o):
1051  """_object_cast_to_WaterPDBSelector(Object o) -> WaterPDBSelector"""
1052  return _IMP_atom._object_cast_to_WaterPDBSelector(o)
1053 
1054 _object_types.append("WritePDBOptimizerState")
1055 
1056 
1057 def _object_cast_to_WritePDBOptimizerState(o):
1058  """_object_cast_to_WritePDBOptimizerState(Object o) -> WritePDBOptimizerState"""
1059  return _IMP_atom._object_cast_to_WritePDBOptimizerState(o)
1060 
1061 AtomTypes=list
1062 _plural_types.append("AtomTypes")
1063 _value_types.append("AtomType")
1064 
1065 
1066 CHARMMAtomTopologies=list
1067 _plural_types.append("CHARMMAtomTopologies")
1068 _value_types.append("CHARMMAtomTopology")
1069 
1070 
1071 CHARMMBondEndpoints=list
1072 _plural_types.append("CHARMMBondEndpoints")
1073 _value_types.append("CHARMMBondEndpoint")
1074 
1075 
1076 CHARMMBondParametersList=list
1077 _plural_types.append("CHARMMBondParametersList")
1078 _value_types.append("CHARMMBondParameters")
1079 
1080 
1081 CHARMMDihedralParametersList=list
1082 _plural_types.append("CHARMMDihedralParametersList")
1083 _value_types.append("CHARMMDihedralParameters")
1084 
1085 
1086 _object_types.append("CHARMMIdealResidueTopology")
1087 
1088 
1089 def _object_cast_to_CHARMMIdealResidueTopology(o):
1090  """_object_cast_to_CHARMMIdealResidueTopology(Object o) -> CHARMMIdealResidueTopology"""
1091  return _IMP_atom._object_cast_to_CHARMMIdealResidueTopology(o)
1092 
1093 CHARMMInternalCoordinates=list
1094 _plural_types.append("CHARMMInternalCoordinates")
1095 _value_types.append("CHARMMInternalCoordinate")
1096 
1097 
1098 _object_types.append("CHARMMPatch")
1099 
1100 
1101 def _object_cast_to_CHARMMPatch(o):
1102  """_object_cast_to_CHARMMPatch(Object o) -> CHARMMPatch"""
1103  return _IMP_atom._object_cast_to_CHARMMPatch(o)
1104 
1105 _object_types.append("CHARMMResidueTopologyBase")
1106 
1107 
1108 def _object_cast_to_CHARMMResidueTopologyBase(o):
1109  """_object_cast_to_CHARMMResidueTopologyBase(Object o) -> CHARMMResidueTopologyBase"""
1110  return _IMP_atom._object_cast_to_CHARMMResidueTopologyBase(o)
1111 
1112 ResidueTypes=list
1113 _plural_types.append("ResidueTypes")
1114 _value_types.append("ResidueType")
1115 
1116 
1117 ChainTypes=list
1118 _plural_types.append("ChainTypes")
1119 _value_types.append("ChainType")
1120 
1121 
1122 Selections=list
1123 _plural_types.append("Selections")
1124 _value_types.append("Selection")
1125 
1126 
1127 _object_types.append("RemoveRigidMotionOptimizerState")
1128 
1129 
1130 def _object_cast_to_RemoveRigidMotionOptimizerState(o):
1131  """_object_cast_to_RemoveRigidMotionOptimizerState(Object o) -> RemoveRigidMotionOptimizerState"""
1132  return _IMP_atom._object_cast_to_RemoveRigidMotionOptimizerState(o)
1133 
1134 _object_types.append("BerendsenThermostatOptimizerState")
1135 
1136 
1137 def _object_cast_to_BerendsenThermostatOptimizerState(o):
1138  """_object_cast_to_BerendsenThermostatOptimizerState(Object o) -> BerendsenThermostatOptimizerState"""
1139  return _IMP_atom._object_cast_to_BerendsenThermostatOptimizerState(o)
1140 
1141 _object_types.append("LangevinThermostatOptimizerState")
1142 
1143 
1144 def _object_cast_to_LangevinThermostatOptimizerState(o):
1145  """_object_cast_to_LangevinThermostatOptimizerState(Object o) -> LangevinThermostatOptimizerState"""
1146  return _IMP_atom._object_cast_to_LangevinThermostatOptimizerState(o)
1147 
1148 _object_types.append("SelectionGeometry")
1149 
1150 
1151 def _object_cast_to_SelectionGeometry(o):
1152  """_object_cast_to_SelectionGeometry(Object o) -> SelectionGeometry"""
1153  return _IMP_atom._object_cast_to_SelectionGeometry(o)
1154 
1155 _object_types.append("HierarchyGeometry")
1156 
1157 
1158 def _object_cast_to_HierarchyGeometry(o):
1159  """_object_cast_to_HierarchyGeometry(Object o) -> HierarchyGeometry"""
1160  return _IMP_atom._object_cast_to_HierarchyGeometry(o)
1161 
1162 _object_types.append("HierarchiesGeometry")
1163 
1164 
1165 def _object_cast_to_HierarchiesGeometry(o):
1166  """_object_cast_to_HierarchiesGeometry(Object o) -> HierarchiesGeometry"""
1167  return _IMP_atom._object_cast_to_HierarchiesGeometry(o)
1168 
1169 _object_types.append("BondGeometry")
1170 
1171 
1172 def _object_cast_to_BondGeometry(o):
1173  """_object_cast_to_BondGeometry(Object o) -> BondGeometry"""
1174  return _IMP_atom._object_cast_to_BondGeometry(o)
1175 
1176 _object_types.append("BondsGeometry")
1177 
1178 
1179 def _object_cast_to_BondsGeometry(o):
1180  """_object_cast_to_BondsGeometry(Object o) -> BondsGeometry"""
1181  return _IMP_atom._object_cast_to_BondsGeometry(o)
1182 
1183 _object_types.append("CAAngleRestraint")
1184 
1185 
1186 def _object_cast_to_CAAngleRestraint(o):
1187  """_object_cast_to_CAAngleRestraint(Object o) -> CAAngleRestraint"""
1188  return _IMP_atom._object_cast_to_CAAngleRestraint(o)
1189 
1190 _object_types.append("CADihedralRestraint")
1191 
1192 
1193 def _object_cast_to_CADihedralRestraint(o):
1194  """_object_cast_to_CADihedralRestraint(Object o) -> CADihedralRestraint"""
1195  return _IMP_atom._object_cast_to_CADihedralRestraint(o)
1196 
1197 _object_types.append("HelixRestraint")
1198 
1199 
1200 def _object_cast_to_HelixRestraint(o):
1201  """_object_cast_to_HelixRestraint(Object o) -> HelixRestraint"""
1202  return _IMP_atom._object_cast_to_HelixRestraint(o)
1203 
1204 CHARMMDihedrals=list
1205 _plural_types.append("CHARMMDihedrals")
1206 _value_types.append("CHARMMDihedral")
1207 
1208 
1209 CHARMMBonds=list
1210 _plural_types.append("CHARMMBonds")
1211 _value_types.append("CHARMMBond")
1212 
1213 
1214 CHARMMAngles=list
1215 _plural_types.append("CHARMMAngles")
1216 _value_types.append("CHARMMAngle")
1217 
1218 class Bond(IMP.Decorator):
1219  """Proxy of C++ IMP::atom::Bond class."""
1220 
1221  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1222 
1223  def __init__(self, *args):
1224  """
1225  __init__(IMP::atom::Bond self) -> Bond
1226  __init__(IMP::atom::Bond self, Model m, ParticleIndex id) -> Bond
1227  __init__(IMP::atom::Bond self, _ParticleAdaptor d) -> Bond
1228  """
1229  this = _IMP_atom.new_Bond(*args)
1230  try:
1231  self.this.append(this)
1232  except __builtin__.Exception:
1233  self.this = this
1234 
1235  def show(self, *args):
1236  """
1237  show(Bond self, _ostream out)
1238  show(Bond self)
1239  """
1240  return _IMP_atom.Bond_show(self, *args)
1241 
1242 
1243  def get_is_setup(*args):
1244  """
1245  get_is_setup(_ParticleAdaptor p) -> bool
1246  get_is_setup(Model m, ParticleIndex pi) -> bool
1247  """
1248  return _IMP_atom.Bond_get_is_setup(*args)
1249 
1250  get_is_setup = staticmethod(get_is_setup)
1251  UNKNOWN = _IMP_atom.Bond_UNKNOWN
1252  NONBIOLOGICAL = _IMP_atom.Bond_NONBIOLOGICAL
1253  SINGLE = _IMP_atom.Bond_SINGLE
1254  DOUBLE = _IMP_atom.Bond_DOUBLE
1255  TRIPLE = _IMP_atom.Bond_TRIPLE
1256  HYDROGEN = _IMP_atom.Bond_HYDROGEN
1257  SALT = _IMP_atom.Bond_SALT
1258  PEPTIDE = _IMP_atom.Bond_PEPTIDE
1259  AMIDE = _IMP_atom.Bond_AMIDE
1260  AROMATIC = _IMP_atom.Bond_AROMATIC
1261 
1262  def get_bonded(self, i):
1263  """get_bonded(Bond self, unsigned int i) -> Bonded"""
1264  return _IMP_atom.Bond_get_bonded(self, i)
1265 
1266 
1267  def get_type(self):
1268  """get_type(Bond self) -> IMP::Int"""
1269  return _IMP_atom.Bond_get_type(self)
1270 
1271 
1272  def set_type(self, t):
1273  """set_type(Bond self, IMP::Int t)"""
1274  return _IMP_atom.Bond_set_type(self, t)
1275 
1276 
1277  def get_order(self):
1278  """get_order(Bond self) -> IMP::Int"""
1279  return _IMP_atom.Bond_get_order(self)
1280 
1281 
1282  def set_order(self, t):
1283  """set_order(Bond self, IMP::Int t)"""
1284  return _IMP_atom.Bond_set_order(self, t)
1285 
1286 
1287  def get_length(self):
1288  """get_length(Bond self) -> IMP::Float"""
1289  return _IMP_atom.Bond_get_length(self)
1290 
1291 
1292  def set_length(self, t):
1293  """set_length(Bond self, IMP::Float t)"""
1294  return _IMP_atom.Bond_set_length(self, t)
1295 
1296 
1297  def get_stiffness(self):
1298  """get_stiffness(Bond self) -> IMP::Float"""
1299  return _IMP_atom.Bond_get_stiffness(self)
1300 
1301 
1302  def set_stiffness(self, t):
1303  """set_stiffness(Bond self, IMP::Float t)"""
1304  return _IMP_atom.Bond_set_stiffness(self, t)
1305 
1306 
1307  def get_length_key():
1308  """get_length_key() -> FloatKey"""
1309  return _IMP_atom.Bond_get_length_key()
1310 
1311  get_length_key = staticmethod(get_length_key)
1312 
1313  def add_attribute(self, *args):
1314  """
1315  add_attribute(Bond self, FloatKey k, IMP::Float v, bool opt)
1316  add_attribute(Bond self, FloatKey a0, IMP::Float a1)
1317  add_attribute(Bond self, IntKey a0, IMP::Int a1)
1318  add_attribute(Bond self, StringKey a0, IMP::String a1)
1319  add_attribute(Bond self, ParticleIndexKey a0, Particle a1)
1320  add_attribute(Bond self, ObjectKey a0, Object a1)
1321  """
1322  return _IMP_atom.Bond_add_attribute(self, *args)
1323 
1324 
1325  def get_value(self, *args):
1326  """
1327  get_value(Bond self, FloatKey a0) -> IMP::Float
1328  get_value(Bond self, IntKey a0) -> IMP::Int
1329  get_value(Bond self, StringKey a0) -> IMP::String
1330  get_value(Bond self, ParticleIndexKey a0) -> Particle
1331  get_value(Bond self, ObjectKey a0) -> Object
1332  """
1333  return _IMP_atom.Bond_get_value(self, *args)
1334 
1335 
1336  def set_value(self, *args):
1337  """
1338  set_value(Bond self, FloatKey a0, IMP::Float a1)
1339  set_value(Bond self, IntKey a0, IMP::Int a1)
1340  set_value(Bond self, StringKey a0, IMP::String a1)
1341  set_value(Bond self, ParticleIndexKey a0, Particle a1)
1342  set_value(Bond self, ObjectKey a0, Object a1)
1343  """
1344  return _IMP_atom.Bond_set_value(self, *args)
1345 
1346 
1347  def remove_attribute(self, *args):
1348  """
1349  remove_attribute(Bond self, FloatKey a0)
1350  remove_attribute(Bond self, IntKey a0)
1351  remove_attribute(Bond self, StringKey a0)
1352  remove_attribute(Bond self, ParticleIndexKey a0)
1353  remove_attribute(Bond self, ObjectKey a0)
1354  """
1355  return _IMP_atom.Bond_remove_attribute(self, *args)
1356 
1357 
1358  def has_attribute(self, *args):
1359  """
1360  has_attribute(Bond self, FloatKey a0) -> bool
1361  has_attribute(Bond self, IntKey a0) -> bool
1362  has_attribute(Bond self, StringKey a0) -> bool
1363  has_attribute(Bond self, ParticleIndexKey a0) -> bool
1364  has_attribute(Bond self, ObjectKey a0) -> bool
1365  """
1366  return _IMP_atom.Bond_has_attribute(self, *args)
1367 
1368 
1369  def get_derivative(self, a0):
1370  """get_derivative(Bond self, FloatKey a0) -> double"""
1371  return _IMP_atom.Bond_get_derivative(self, a0)
1372 
1373 
1374  def get_name(self):
1375  """get_name(Bond self) -> std::string"""
1376  return _IMP_atom.Bond_get_name(self)
1377 
1378 
1379  def clear_caches(self):
1380  """clear_caches(Bond self)"""
1381  return _IMP_atom.Bond_clear_caches(self)
1382 
1383 
1384  def set_name(self, a0):
1385  """set_name(Bond self, std::string a0)"""
1386  return _IMP_atom.Bond_set_name(self, a0)
1387 
1388 
1389  def set_check_level(self, a0):
1390  """set_check_level(Bond self, IMP::CheckLevel a0)"""
1391  return _IMP_atom.Bond_set_check_level(self, a0)
1392 
1393 
1394  def add_to_derivative(self, a0, a1, a2):
1395  """add_to_derivative(Bond self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1396  return _IMP_atom.Bond_add_to_derivative(self, a0, a1, a2)
1397 
1398 
1399  def set_is_optimized(self, a0, a1):
1400  """set_is_optimized(Bond self, FloatKey a0, bool a1)"""
1401  return _IMP_atom.Bond_set_is_optimized(self, a0, a1)
1402 
1403 
1404  def get_is_optimized(self, a0):
1405  """get_is_optimized(Bond self, FloatKey a0) -> bool"""
1406  return _IMP_atom.Bond_get_is_optimized(self, a0)
1407 
1408 
1409  def get_check_level(self):
1410  """get_check_level(Bond self) -> IMP::CheckLevel"""
1411  return _IMP_atom.Bond_get_check_level(self)
1412 
1413 
1414  def __eq__(self, *args):
1415  """
1416  __eq__(Bond self, Bond o) -> bool
1417  __eq__(Bond self, Particle d) -> bool
1418  """
1419  return _IMP_atom.Bond___eq__(self, *args)
1420 
1421 
1422  def __ne__(self, *args):
1423  """
1424  __ne__(Bond self, Bond o) -> bool
1425  __ne__(Bond self, Particle d) -> bool
1426  """
1427  return _IMP_atom.Bond___ne__(self, *args)
1428 
1429 
1430  def __le__(self, *args):
1431  """
1432  __le__(Bond self, Bond o) -> bool
1433  __le__(Bond self, Particle d) -> bool
1434  """
1435  return _IMP_atom.Bond___le__(self, *args)
1436 
1437 
1438  def __lt__(self, *args):
1439  """
1440  __lt__(Bond self, Bond o) -> bool
1441  __lt__(Bond self, Particle d) -> bool
1442  """
1443  return _IMP_atom.Bond___lt__(self, *args)
1444 
1445 
1446  def __ge__(self, *args):
1447  """
1448  __ge__(Bond self, Bond o) -> bool
1449  __ge__(Bond self, Particle d) -> bool
1450  """
1451  return _IMP_atom.Bond___ge__(self, *args)
1452 
1453 
1454  def __gt__(self, *args):
1455  """
1456  __gt__(Bond self, Bond o) -> bool
1457  __gt__(Bond self, Particle d) -> bool
1458  """
1459  return _IMP_atom.Bond___gt__(self, *args)
1460 
1461 
1462  def __hash__(self):
1463  """__hash__(Bond self) -> std::size_t"""
1464  return _IMP_atom.Bond___hash__(self)
1465 
1466 
1467  def __str__(self):
1468  """__str__(Bond self) -> std::string"""
1469  return _IMP_atom.Bond___str__(self)
1470 
1471 
1472  def __repr__(self):
1473  """__repr__(Bond self) -> std::string"""
1474  return _IMP_atom.Bond___repr__(self)
1475 
1476  __swig_destroy__ = _IMP_atom.delete_Bond
1477  __del__ = lambda self: None
1478 Bond_swigregister = _IMP_atom.Bond_swigregister
1479 Bond_swigregister(Bond)
1480 
1481 def Bond_get_is_setup(*args):
1482  """
1483  get_is_setup(_ParticleAdaptor p) -> bool
1484  Bond_get_is_setup(Model m, ParticleIndex pi) -> bool
1485  """
1486  return _IMP_atom.Bond_get_is_setup(*args)
1487 
1488 def Bond_get_length_key():
1489  """Bond_get_length_key() -> FloatKey"""
1490  return _IMP_atom.Bond_get_length_key()
1491 
1492 class Bonded(IMP.Decorator):
1493  """Proxy of C++ IMP::atom::Bonded class."""
1494 
1495  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1496 
1497  def __init__(self, *args):
1498  """
1499  __init__(IMP::atom::Bonded self) -> Bonded
1500  __init__(IMP::atom::Bonded self, Model m, ParticleIndex id) -> Bonded
1501  __init__(IMP::atom::Bonded self, _ParticleAdaptor d) -> Bonded
1502  """
1503  this = _IMP_atom.new_Bonded(*args)
1504  try:
1505  self.this.append(this)
1506  except __builtin__.Exception:
1507  self.this = this
1508 
1509  def show(self, *args):
1510  """
1511  show(Bonded self, _ostream out)
1512  show(Bonded self)
1513  """
1514  return _IMP_atom.Bonded_show(self, *args)
1515 
1516 
1517  def setup_particle(*args):
1518  """
1519  setup_particle(Model m, ParticleIndex pi) -> Bonded
1520  setup_particle(_ParticleAdaptor decorator) -> Bonded
1521  """
1522  return _IMP_atom.Bonded_setup_particle(*args)
1523 
1524  setup_particle = staticmethod(setup_particle)
1525 
1526  def get_is_setup(*args):
1527  """
1528  get_is_setup(_ParticleAdaptor p) -> bool
1529  get_is_setup(Model m, ParticleIndex pi) -> bool
1530  """
1531  return _IMP_atom.Bonded_get_is_setup(*args)
1532 
1533  get_is_setup = staticmethod(get_is_setup)
1534 
1535  def get_number_of_bonds(self):
1536  """get_number_of_bonds(Bonded self) -> unsigned int"""
1537  return _IMP_atom.Bonded_get_number_of_bonds(self)
1538 
1539 
1540  def get_bond_indexes(self):
1541  """get_bond_indexes(Bonded self) -> IMP::ParticleIndexes"""
1542  return _IMP_atom.Bonded_get_bond_indexes(self)
1543 
1544 
1545  def get_bond(self, i):
1546  """get_bond(Bonded self, unsigned int i) -> Bond"""
1547  return _IMP_atom.Bonded_get_bond(self, i)
1548 
1549 
1550  def get_bonded(self, i):
1551  """get_bonded(Bonded self, unsigned int i) -> Bonded"""
1552  return _IMP_atom.Bonded_get_bonded(self, i)
1553 
1554 
1555  def add_attribute(self, *args):
1556  """
1557  add_attribute(Bonded self, FloatKey k, IMP::Float v, bool opt)
1558  add_attribute(Bonded self, FloatKey a0, IMP::Float a1)
1559  add_attribute(Bonded self, IntKey a0, IMP::Int a1)
1560  add_attribute(Bonded self, StringKey a0, IMP::String a1)
1561  add_attribute(Bonded self, ParticleIndexKey a0, Particle a1)
1562  add_attribute(Bonded self, ObjectKey a0, Object a1)
1563  """
1564  return _IMP_atom.Bonded_add_attribute(self, *args)
1565 
1566 
1567  def get_value(self, *args):
1568  """
1569  get_value(Bonded self, FloatKey a0) -> IMP::Float
1570  get_value(Bonded self, IntKey a0) -> IMP::Int
1571  get_value(Bonded self, StringKey a0) -> IMP::String
1572  get_value(Bonded self, ParticleIndexKey a0) -> Particle
1573  get_value(Bonded self, ObjectKey a0) -> Object
1574  """
1575  return _IMP_atom.Bonded_get_value(self, *args)
1576 
1577 
1578  def set_value(self, *args):
1579  """
1580  set_value(Bonded self, FloatKey a0, IMP::Float a1)
1581  set_value(Bonded self, IntKey a0, IMP::Int a1)
1582  set_value(Bonded self, StringKey a0, IMP::String a1)
1583  set_value(Bonded self, ParticleIndexKey a0, Particle a1)
1584  set_value(Bonded self, ObjectKey a0, Object a1)
1585  """
1586  return _IMP_atom.Bonded_set_value(self, *args)
1587 
1588 
1589  def remove_attribute(self, *args):
1590  """
1591  remove_attribute(Bonded self, FloatKey a0)
1592  remove_attribute(Bonded self, IntKey a0)
1593  remove_attribute(Bonded self, StringKey a0)
1594  remove_attribute(Bonded self, ParticleIndexKey a0)
1595  remove_attribute(Bonded self, ObjectKey a0)
1596  """
1597  return _IMP_atom.Bonded_remove_attribute(self, *args)
1598 
1599 
1600  def has_attribute(self, *args):
1601  """
1602  has_attribute(Bonded self, FloatKey a0) -> bool
1603  has_attribute(Bonded self, IntKey a0) -> bool
1604  has_attribute(Bonded self, StringKey a0) -> bool
1605  has_attribute(Bonded self, ParticleIndexKey a0) -> bool
1606  has_attribute(Bonded self, ObjectKey a0) -> bool
1607  """
1608  return _IMP_atom.Bonded_has_attribute(self, *args)
1609 
1610 
1611  def get_derivative(self, a0):
1612  """get_derivative(Bonded self, FloatKey a0) -> double"""
1613  return _IMP_atom.Bonded_get_derivative(self, a0)
1614 
1615 
1616  def get_name(self):
1617  """get_name(Bonded self) -> std::string"""
1618  return _IMP_atom.Bonded_get_name(self)
1619 
1620 
1621  def clear_caches(self):
1622  """clear_caches(Bonded self)"""
1623  return _IMP_atom.Bonded_clear_caches(self)
1624 
1625 
1626  def set_name(self, a0):
1627  """set_name(Bonded self, std::string a0)"""
1628  return _IMP_atom.Bonded_set_name(self, a0)
1629 
1630 
1631  def set_check_level(self, a0):
1632  """set_check_level(Bonded self, IMP::CheckLevel a0)"""
1633  return _IMP_atom.Bonded_set_check_level(self, a0)
1634 
1635 
1636  def add_to_derivative(self, a0, a1, a2):
1637  """add_to_derivative(Bonded self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1638  return _IMP_atom.Bonded_add_to_derivative(self, a0, a1, a2)
1639 
1640 
1641  def set_is_optimized(self, a0, a1):
1642  """set_is_optimized(Bonded self, FloatKey a0, bool a1)"""
1643  return _IMP_atom.Bonded_set_is_optimized(self, a0, a1)
1644 
1645 
1646  def get_is_optimized(self, a0):
1647  """get_is_optimized(Bonded self, FloatKey a0) -> bool"""
1648  return _IMP_atom.Bonded_get_is_optimized(self, a0)
1649 
1650 
1651  def get_check_level(self):
1652  """get_check_level(Bonded self) -> IMP::CheckLevel"""
1653  return _IMP_atom.Bonded_get_check_level(self)
1654 
1655 
1656  def __eq__(self, *args):
1657  """
1658  __eq__(Bonded self, Bonded o) -> bool
1659  __eq__(Bonded self, Particle d) -> bool
1660  """
1661  return _IMP_atom.Bonded___eq__(self, *args)
1662 
1663 
1664  def __ne__(self, *args):
1665  """
1666  __ne__(Bonded self, Bonded o) -> bool
1667  __ne__(Bonded self, Particle d) -> bool
1668  """
1669  return _IMP_atom.Bonded___ne__(self, *args)
1670 
1671 
1672  def __le__(self, *args):
1673  """
1674  __le__(Bonded self, Bonded o) -> bool
1675  __le__(Bonded self, Particle d) -> bool
1676  """
1677  return _IMP_atom.Bonded___le__(self, *args)
1678 
1679 
1680  def __lt__(self, *args):
1681  """
1682  __lt__(Bonded self, Bonded o) -> bool
1683  __lt__(Bonded self, Particle d) -> bool
1684  """
1685  return _IMP_atom.Bonded___lt__(self, *args)
1686 
1687 
1688  def __ge__(self, *args):
1689  """
1690  __ge__(Bonded self, Bonded o) -> bool
1691  __ge__(Bonded self, Particle d) -> bool
1692  """
1693  return _IMP_atom.Bonded___ge__(self, *args)
1694 
1695 
1696  def __gt__(self, *args):
1697  """
1698  __gt__(Bonded self, Bonded o) -> bool
1699  __gt__(Bonded self, Particle d) -> bool
1700  """
1701  return _IMP_atom.Bonded___gt__(self, *args)
1702 
1703 
1704  def __hash__(self):
1705  """__hash__(Bonded self) -> std::size_t"""
1706  return _IMP_atom.Bonded___hash__(self)
1707 
1708 
1709  def __str__(self):
1710  """__str__(Bonded self) -> std::string"""
1711  return _IMP_atom.Bonded___str__(self)
1712 
1713 
1714  def __repr__(self):
1715  """__repr__(Bonded self) -> std::string"""
1716  return _IMP_atom.Bonded___repr__(self)
1717 
1718  __swig_destroy__ = _IMP_atom.delete_Bonded
1719  __del__ = lambda self: None
1720 Bonded_swigregister = _IMP_atom.Bonded_swigregister
1721 Bonded_swigregister(Bonded)
1722 
1723 def Bonded_setup_particle(*args):
1724  """
1725  setup_particle(Model m, ParticleIndex pi) -> Bonded
1726  Bonded_setup_particle(_ParticleAdaptor decorator) -> Bonded
1727  """
1728  return _IMP_atom.Bonded_setup_particle(*args)
1729 
1730 def Bonded_get_is_setup(*args):
1731  """
1732  get_is_setup(_ParticleAdaptor p) -> bool
1733  Bonded_get_is_setup(Model m, ParticleIndex pi) -> bool
1734  """
1735  return _IMP_atom.Bonded_get_is_setup(*args)
1736 
1737 
1738 def create_custom_bond(a, b, length, stiffness=-1):
1739  """
1740  create_custom_bond(Bonded a, Bonded b, IMP::Float length, IMP::Float stiffness=-1) -> Bond
1741  create_custom_bond(Bonded a, Bonded b, IMP::Float length) -> Bond
1742  """
1743  return _IMP_atom.create_custom_bond(a, b, length, stiffness)
1744 
1745 def create_bond(*args):
1746  """
1747  create_bond(Bonded a, Bonded b, IMP::Int t) -> Bond
1748  create_bond(Bonded a, Bonded b, Bond o) -> Bond
1749  """
1750  return _IMP_atom.create_bond(*args)
1751 
1752 def destroy_bond(b):
1753  """destroy_bond(Bond b)"""
1754  return _IMP_atom.destroy_bond(b)
1755 
1756 def get_bond(a, b):
1757  """get_bond(Bonded a, Bonded b) -> Bond"""
1758  return _IMP_atom.get_bond(a, b)
1759 class BondGeometry(IMP.display.SingletonGeometry):
1760  """Proxy of C++ IMP::atom::BondGeometry class."""
1761 
1762  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1763 
1764  def __init__(self, *args):
1765  """
1766  __init__(IMP::atom::BondGeometry self, Particle p) -> BondGeometry
1767  __init__(IMP::atom::BondGeometry self, Bond d) -> BondGeometry
1768  """
1769  this = _IMP_atom.new_BondGeometry(*args)
1770  try:
1771  self.this.append(this)
1772  except __builtin__.Exception:
1773  self.this = this
1774 
1775  def get_version_info(self):
1776  """get_version_info(BondGeometry self) -> VersionInfo"""
1777  return _IMP_atom.BondGeometry_get_version_info(self)
1778 
1779 
1780  def __str__(self):
1781  """__str__(BondGeometry self) -> std::string"""
1782  return _IMP_atom.BondGeometry___str__(self)
1783 
1784 
1785  def __repr__(self):
1786  """__repr__(BondGeometry self) -> std::string"""
1787  return _IMP_atom.BondGeometry___repr__(self)
1788 
1789 
1790  @staticmethod
1791  def get_from(o):
1792  return _object_cast_to_BondGeometry(o)
1793 
1794 BondGeometry_swigregister = _IMP_atom.BondGeometry_swigregister
1795 BondGeometry_swigregister(BondGeometry)
1796 
1797 class BondsGeometry(IMP.display.SingletonsGeometry):
1798  """Proxy of C++ IMP::atom::BondsGeometry class."""
1799 
1800  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1801 
1802  def __init__(self, sc):
1803  """__init__(IMP::atom::BondsGeometry self, SingletonContainer sc) -> BondsGeometry"""
1804  this = _IMP_atom.new_BondsGeometry(sc)
1805  try:
1806  self.this.append(this)
1807  except __builtin__.Exception:
1808  self.this = this
1809 
1810  def get_version_info(self):
1811  """get_version_info(BondsGeometry self) -> VersionInfo"""
1812  return _IMP_atom.BondsGeometry_get_version_info(self)
1813 
1814 
1815  def __str__(self):
1816  """__str__(BondsGeometry self) -> std::string"""
1817  return _IMP_atom.BondsGeometry___str__(self)
1818 
1819 
1820  def __repr__(self):
1821  """__repr__(BondsGeometry self) -> std::string"""
1822  return _IMP_atom.BondsGeometry___repr__(self)
1823 
1824 
1825  @staticmethod
1826  def get_from(o):
1827  return _object_cast_to_BondsGeometry(o)
1828 
1829 BondsGeometry_swigregister = _IMP_atom.BondsGeometry_swigregister
1830 BondsGeometry_swigregister(BondsGeometry)
1831 
1832 class Hierarchy(IMP.core.Hierarchy):
1833  """Proxy of C++ IMP::atom::Hierarchy class."""
1834 
1835  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1836 
1837  def __init__(self, *args):
1838  """
1839  __init__(IMP::atom::Hierarchy self, Model m, ParticleIndex pi) -> Hierarchy
1840  __init__(IMP::atom::Hierarchy self, _ParticleAdaptor pi) -> Hierarchy
1841  __init__(IMP::atom::Hierarchy self) -> Hierarchy
1842  __init__(IMP::atom::Hierarchy self, Hierarchy h) -> Hierarchy
1843  """
1844  this = _IMP_atom.new_Hierarchy(*args)
1845  try:
1846  self.this.append(this)
1847  except __builtin__.Exception:
1848  self.this = this
1849 
1850  def setup_particle(*args):
1851  """
1852  setup_particle(Particle p, _ParticleIndexesAdaptor children) -> Hierarchy
1853  setup_particle(Particle p) -> Hierarchy
1854  setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor children) -> Hierarchy
1855  setup_particle(Model m, ParticleIndex pi) -> Hierarchy
1856  """
1857  return _IMP_atom.Hierarchy_setup_particle(*args)
1858 
1859  setup_particle = staticmethod(setup_particle)
1860 
1861  def get_is_setup(*args):
1862  """
1863  get_is_setup(Particle p) -> bool
1864  get_is_setup(Model m, ParticleIndex p) -> bool
1865  """
1866  return _IMP_atom.Hierarchy_get_is_setup(*args)
1867 
1868  get_is_setup = staticmethod(get_is_setup)
1869 
1870  def get_is_valid(self, print_info=False):
1871  """
1872  get_is_valid(Hierarchy self, bool print_info=False) -> bool
1873  get_is_valid(Hierarchy self) -> bool
1874  """
1875  return _IMP_atom.Hierarchy_get_is_valid(self, print_info)
1876 
1877 
1878  def add_child(self, o):
1879  """add_child(Hierarchy self, Hierarchy o)"""
1880  return _IMP_atom.Hierarchy_add_child(self, o)
1881 
1882 
1883  def get_child(self, i):
1884  """get_child(Hierarchy self, unsigned int i) -> Hierarchy"""
1885  return _IMP_atom.Hierarchy_get_child(self, i)
1886 
1887 
1888  def get_children(self):
1889  """get_children(Hierarchy self) -> IMP::atom::Hierarchies"""
1890  return _IMP_atom.Hierarchy_get_children(self)
1891 
1892 
1893  def get_parent(self):
1894  """get_parent(Hierarchy self) -> Hierarchy"""
1895  return _IMP_atom.Hierarchy_get_parent(self)
1896 
1897 
1898  def get_traits():
1899  """get_traits() -> HierarchyTraits"""
1900  return _IMP_atom.Hierarchy_get_traits()
1901 
1902  get_traits = staticmethod(get_traits)
1903 
1904  def show(self, *args):
1905  """
1906  show(Hierarchy self, _ostream out, std::string delimiter)
1907  show(Hierarchy self, _ostream out)
1908  show(Hierarchy self)
1909  """
1910  return _IMP_atom.Hierarchy_show(self, *args)
1911 
1912 
1913  def add_attribute(self, *args):
1914  """
1915  add_attribute(Hierarchy self, FloatKey k, IMP::Float v, bool opt)
1916  add_attribute(Hierarchy self, FloatKey a0, IMP::Float a1)
1917  add_attribute(Hierarchy self, IntKey a0, IMP::Int a1)
1918  add_attribute(Hierarchy self, StringKey a0, IMP::String a1)
1919  add_attribute(Hierarchy self, ParticleIndexKey a0, Particle a1)
1920  add_attribute(Hierarchy self, ObjectKey a0, Object a1)
1921  """
1922  return _IMP_atom.Hierarchy_add_attribute(self, *args)
1923 
1924 
1925  def get_value(self, *args):
1926  """
1927  get_value(Hierarchy self, FloatKey a0) -> IMP::Float
1928  get_value(Hierarchy self, IntKey a0) -> IMP::Int
1929  get_value(Hierarchy self, StringKey a0) -> IMP::String
1930  get_value(Hierarchy self, ParticleIndexKey a0) -> Particle
1931  get_value(Hierarchy self, ObjectKey a0) -> Object
1932  """
1933  return _IMP_atom.Hierarchy_get_value(self, *args)
1934 
1935 
1936  def set_value(self, *args):
1937  """
1938  set_value(Hierarchy self, FloatKey a0, IMP::Float a1)
1939  set_value(Hierarchy self, IntKey a0, IMP::Int a1)
1940  set_value(Hierarchy self, StringKey a0, IMP::String a1)
1941  set_value(Hierarchy self, ParticleIndexKey a0, Particle a1)
1942  set_value(Hierarchy self, ObjectKey a0, Object a1)
1943  """
1944  return _IMP_atom.Hierarchy_set_value(self, *args)
1945 
1946 
1947  def remove_attribute(self, *args):
1948  """
1949  remove_attribute(Hierarchy self, FloatKey a0)
1950  remove_attribute(Hierarchy self, IntKey a0)
1951  remove_attribute(Hierarchy self, StringKey a0)
1952  remove_attribute(Hierarchy self, ParticleIndexKey a0)
1953  remove_attribute(Hierarchy self, ObjectKey a0)
1954  """
1955  return _IMP_atom.Hierarchy_remove_attribute(self, *args)
1956 
1957 
1958  def has_attribute(self, *args):
1959  """
1960  has_attribute(Hierarchy self, FloatKey a0) -> bool
1961  has_attribute(Hierarchy self, IntKey a0) -> bool
1962  has_attribute(Hierarchy self, StringKey a0) -> bool
1963  has_attribute(Hierarchy self, ParticleIndexKey a0) -> bool
1964  has_attribute(Hierarchy self, ObjectKey a0) -> bool
1965  """
1966  return _IMP_atom.Hierarchy_has_attribute(self, *args)
1967 
1968 
1969  def get_derivative(self, a0):
1970  """get_derivative(Hierarchy self, FloatKey a0) -> double"""
1971  return _IMP_atom.Hierarchy_get_derivative(self, a0)
1972 
1973 
1974  def get_name(self):
1975  """get_name(Hierarchy self) -> std::string"""
1976  return _IMP_atom.Hierarchy_get_name(self)
1977 
1978 
1979  def clear_caches(self):
1980  """clear_caches(Hierarchy self)"""
1981  return _IMP_atom.Hierarchy_clear_caches(self)
1982 
1983 
1984  def set_name(self, a0):
1985  """set_name(Hierarchy self, std::string a0)"""
1986  return _IMP_atom.Hierarchy_set_name(self, a0)
1987 
1988 
1989  def set_check_level(self, a0):
1990  """set_check_level(Hierarchy self, IMP::CheckLevel a0)"""
1991  return _IMP_atom.Hierarchy_set_check_level(self, a0)
1992 
1993 
1994  def add_to_derivative(self, a0, a1, a2):
1995  """add_to_derivative(Hierarchy self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1996  return _IMP_atom.Hierarchy_add_to_derivative(self, a0, a1, a2)
1997 
1998 
1999  def set_is_optimized(self, a0, a1):
2000  """set_is_optimized(Hierarchy self, FloatKey a0, bool a1)"""
2001  return _IMP_atom.Hierarchy_set_is_optimized(self, a0, a1)
2002 
2003 
2004  def get_is_optimized(self, a0):
2005  """get_is_optimized(Hierarchy self, FloatKey a0) -> bool"""
2006  return _IMP_atom.Hierarchy_get_is_optimized(self, a0)
2007 
2008 
2009  def get_check_level(self):
2010  """get_check_level(Hierarchy self) -> IMP::CheckLevel"""
2011  return _IMP_atom.Hierarchy_get_check_level(self)
2012 
2013 
2014  def __eq__(self, *args):
2015  """
2016  __eq__(Hierarchy self, Hierarchy o) -> bool
2017  __eq__(Hierarchy self, Particle d) -> bool
2018  """
2019  return _IMP_atom.Hierarchy___eq__(self, *args)
2020 
2021 
2022  def __ne__(self, *args):
2023  """
2024  __ne__(Hierarchy self, Hierarchy o) -> bool
2025  __ne__(Hierarchy self, Particle d) -> bool
2026  """
2027  return _IMP_atom.Hierarchy___ne__(self, *args)
2028 
2029 
2030  def __le__(self, *args):
2031  """
2032  __le__(Hierarchy self, Hierarchy o) -> bool
2033  __le__(Hierarchy self, Particle d) -> bool
2034  """
2035  return _IMP_atom.Hierarchy___le__(self, *args)
2036 
2037 
2038  def __lt__(self, *args):
2039  """
2040  __lt__(Hierarchy self, Hierarchy o) -> bool
2041  __lt__(Hierarchy self, Particle d) -> bool
2042  """
2043  return _IMP_atom.Hierarchy___lt__(self, *args)
2044 
2045 
2046  def __ge__(self, *args):
2047  """
2048  __ge__(Hierarchy self, Hierarchy o) -> bool
2049  __ge__(Hierarchy self, Particle d) -> bool
2050  """
2051  return _IMP_atom.Hierarchy___ge__(self, *args)
2052 
2053 
2054  def __gt__(self, *args):
2055  """
2056  __gt__(Hierarchy self, Hierarchy o) -> bool
2057  __gt__(Hierarchy self, Particle d) -> bool
2058  """
2059  return _IMP_atom.Hierarchy___gt__(self, *args)
2060 
2061 
2062  def __hash__(self):
2063  """__hash__(Hierarchy self) -> std::size_t"""
2064  return _IMP_atom.Hierarchy___hash__(self)
2065 
2066 
2067  def __str__(self):
2068  """__str__(Hierarchy self) -> std::string"""
2069  return _IMP_atom.Hierarchy___str__(self)
2070 
2071 
2072  def __repr__(self):
2073  """__repr__(Hierarchy self) -> std::string"""
2074  return _IMP_atom.Hierarchy___repr__(self)
2075 
2076  __swig_destroy__ = _IMP_atom.delete_Hierarchy
2077  __del__ = lambda self: None
2078 Hierarchy_swigregister = _IMP_atom.Hierarchy_swigregister
2079 Hierarchy_swigregister(Hierarchy)
2080 
2081 def Hierarchy_setup_particle(*args):
2082  """
2083  setup_particle(Particle p, _ParticleIndexesAdaptor children) -> Hierarchy
2084  setup_particle(Particle p) -> Hierarchy
2085  setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor children) -> Hierarchy
2086  Hierarchy_setup_particle(Model m, ParticleIndex pi) -> Hierarchy
2087  """
2088  return _IMP_atom.Hierarchy_setup_particle(*args)
2089 
2090 def Hierarchy_get_is_setup(*args):
2091  """
2092  get_is_setup(Particle p) -> bool
2093  Hierarchy_get_is_setup(Model m, ParticleIndex p) -> bool
2094  """
2095  return _IMP_atom.Hierarchy_get_is_setup(*args)
2096 
2097 def Hierarchy_get_traits():
2098  """Hierarchy_get_traits() -> HierarchyTraits"""
2099  return _IMP_atom.Hierarchy_get_traits()
2100 
2101 ATOM_TYPE = _IMP_atom.ATOM_TYPE
2102 RESIDUE_TYPE = _IMP_atom.RESIDUE_TYPE
2103 CHAIN_TYPE = _IMP_atom.CHAIN_TYPE
2104 MOLECULE_TYPE = _IMP_atom.MOLECULE_TYPE
2105 DOMAIN_TYPE = _IMP_atom.DOMAIN_TYPE
2106 FRAGMENT_TYPE = _IMP_atom.FRAGMENT_TYPE
2107 XYZ_TYPE = _IMP_atom.XYZ_TYPE
2108 XYZR_TYPE = _IMP_atom.XYZR_TYPE
2109 MASS_TYPE = _IMP_atom.MASS_TYPE
2110 STATE_TYPE = _IMP_atom.STATE_TYPE
2111 
2112 def get_by_type(mhd, t):
2113  """get_by_type(Hierarchy mhd, IMP::atom::GetByType t) -> IMP::atom::Hierarchies"""
2114  return _IMP_atom.get_by_type(mhd, t)
2115 
2116 def create_fragment(ps):
2117  """create_fragment(IMP::atom::Hierarchies const & ps) -> Hierarchy"""
2118  return _IMP_atom.create_fragment(ps)
2119 
2120 def get_internal_bonds(mhd):
2121  """get_internal_bonds(Hierarchy mhd) -> IMP::atom::Bonds"""
2122  return _IMP_atom.get_internal_bonds(mhd)
2123 
2124 def get_root(h):
2125  """get_root(Hierarchy h) -> Hierarchy"""
2126  return _IMP_atom.get_root(h)
2127 
2128 def show(*args):
2129  """
2130  show(Hierarchy h, _ostream out)
2131  show(Hierarchy h)
2132  """
2133  return _IMP_atom.show(*args)
2134 
2135 def create_rigid_body(*args):
2136  """
2137  create_rigid_body(IMP::atom::Hierarchies const & h, std::string name) -> RigidBody
2138  create_rigid_body(IMP::atom::Hierarchies const & h) -> RigidBody
2139  create_rigid_body(Hierarchy h) -> RigidBody
2140  """
2141  return _IMP_atom.create_rigid_body(*args)
2142 
2143 def create_compatible_rigid_body(h, reference):
2144  """create_compatible_rigid_body(Hierarchy h, Hierarchy reference) -> RigidBody"""
2145  return _IMP_atom.create_compatible_rigid_body(h, reference)
2146 
2147 def get_is_heterogen(h):
2148  """get_is_heterogen(Hierarchy h) -> bool"""
2149  return _IMP_atom.get_is_heterogen(h)
2150 
2151 def create_clone(d):
2152  """create_clone(Hierarchy d) -> Hierarchy"""
2153  return _IMP_atom.create_clone(d)
2154 
2155 def create_clone_one(d):
2156  """create_clone_one(Hierarchy d) -> Hierarchy"""
2157  return _IMP_atom.create_clone_one(d)
2158 
2159 def destroy(d):
2160  """destroy(Hierarchy d)"""
2161  return _IMP_atom.destroy(d)
2162 
2163 def get_bounding_box(h):
2164  """get_bounding_box(Hierarchy h) -> BoundingBox3D"""
2165  return _IMP_atom.get_bounding_box(h)
2166 
2167 def get_bounding_sphere(h):
2168  """get_bounding_sphere(Hierarchy h) -> Sphere3D"""
2169  return _IMP_atom.get_bounding_sphere(h)
2170 class Angle(IMP.Decorator):
2171  """Proxy of C++ IMP::atom::Angle class."""
2172 
2173  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2174 
2175  def __init__(self, *args):
2176  """
2177  __init__(IMP::atom::Angle self) -> Angle
2178  __init__(IMP::atom::Angle self, Model m, ParticleIndex id) -> Angle
2179  __init__(IMP::atom::Angle self, _ParticleAdaptor d) -> Angle
2180  """
2181  this = _IMP_atom.new_Angle(*args)
2182  try:
2183  self.this.append(this)
2184  except __builtin__.Exception:
2185  self.this = this
2186 
2187  def show(self, *args):
2188  """
2189  show(Angle self, _ostream out)
2190  show(Angle self)
2191  """
2192  return _IMP_atom.Angle_show(self, *args)
2193 
2194 
2195  def setup_particle(*args):
2196  """
2197  setup_particle(Model m, ParticleIndex pi, XYZ a, XYZ b, XYZ c) -> Angle
2198  setup_particle(_ParticleAdaptor decorator, XYZ a, XYZ b, XYZ c) -> Angle
2199  """
2200  return _IMP_atom.Angle_setup_particle(*args)
2201 
2202  setup_particle = staticmethod(setup_particle)
2203 
2204  def get_is_setup(*args):
2205  """
2206  get_is_setup(_ParticleAdaptor p) -> bool
2207  get_is_setup(Model m, ParticleIndex pi) -> bool
2208  """
2209  return _IMP_atom.Angle_get_is_setup(*args)
2210 
2211  get_is_setup = staticmethod(get_is_setup)
2212 
2213  def get_particle(self, *args):
2214  """
2215  get_particle(Angle self) -> Particle
2216  get_particle(Angle self, unsigned int i) -> Particle
2217  """
2218  return _IMP_atom.Angle_get_particle(self, *args)
2219 
2220 
2221  def get_ideal(self):
2222  """get_ideal(Angle self) -> IMP::Float"""
2223  return _IMP_atom.Angle_get_ideal(self)
2224 
2225 
2226  def set_ideal(self, t):
2227  """set_ideal(Angle self, IMP::Float t)"""
2228  return _IMP_atom.Angle_set_ideal(self, t)
2229 
2230 
2231  def get_stiffness(self):
2232  """get_stiffness(Angle self) -> IMP::Float"""
2233  return _IMP_atom.Angle_get_stiffness(self)
2234 
2235 
2236  def set_stiffness(self, t):
2237  """set_stiffness(Angle self, IMP::Float t)"""
2238  return _IMP_atom.Angle_set_stiffness(self, t)
2239 
2240 
2241  def get_particle_key(i):
2242  """get_particle_key(unsigned int i) -> ParticleIndexKey"""
2243  return _IMP_atom.Angle_get_particle_key(i)
2244 
2245  get_particle_key = staticmethod(get_particle_key)
2246 
2247  def get_ideal_key():
2248  """get_ideal_key() -> FloatKey"""
2249  return _IMP_atom.Angle_get_ideal_key()
2250 
2251  get_ideal_key = staticmethod(get_ideal_key)
2252 
2253  def get_stiffness_key():
2254  """get_stiffness_key() -> FloatKey"""
2255  return _IMP_atom.Angle_get_stiffness_key()
2256 
2257  get_stiffness_key = staticmethod(get_stiffness_key)
2258 
2259  def add_attribute(self, *args):
2260  """
2261  add_attribute(Angle self, FloatKey k, IMP::Float v, bool opt)
2262  add_attribute(Angle self, FloatKey a0, IMP::Float a1)
2263  add_attribute(Angle self, IntKey a0, IMP::Int a1)
2264  add_attribute(Angle self, StringKey a0, IMP::String a1)
2265  add_attribute(Angle self, ParticleIndexKey a0, Particle a1)
2266  add_attribute(Angle self, ObjectKey a0, Object a1)
2267  """
2268  return _IMP_atom.Angle_add_attribute(self, *args)
2269 
2270 
2271  def get_value(self, *args):
2272  """
2273  get_value(Angle self, FloatKey a0) -> IMP::Float
2274  get_value(Angle self, IntKey a0) -> IMP::Int
2275  get_value(Angle self, StringKey a0) -> IMP::String
2276  get_value(Angle self, ParticleIndexKey a0) -> Particle
2277  get_value(Angle self, ObjectKey a0) -> Object
2278  """
2279  return _IMP_atom.Angle_get_value(self, *args)
2280 
2281 
2282  def set_value(self, *args):
2283  """
2284  set_value(Angle self, FloatKey a0, IMP::Float a1)
2285  set_value(Angle self, IntKey a0, IMP::Int a1)
2286  set_value(Angle self, StringKey a0, IMP::String a1)
2287  set_value(Angle self, ParticleIndexKey a0, Particle a1)
2288  set_value(Angle self, ObjectKey a0, Object a1)
2289  """
2290  return _IMP_atom.Angle_set_value(self, *args)
2291 
2292 
2293  def remove_attribute(self, *args):
2294  """
2295  remove_attribute(Angle self, FloatKey a0)
2296  remove_attribute(Angle self, IntKey a0)
2297  remove_attribute(Angle self, StringKey a0)
2298  remove_attribute(Angle self, ParticleIndexKey a0)
2299  remove_attribute(Angle self, ObjectKey a0)
2300  """
2301  return _IMP_atom.Angle_remove_attribute(self, *args)
2302 
2303 
2304  def has_attribute(self, *args):
2305  """
2306  has_attribute(Angle self, FloatKey a0) -> bool
2307  has_attribute(Angle self, IntKey a0) -> bool
2308  has_attribute(Angle self, StringKey a0) -> bool
2309  has_attribute(Angle self, ParticleIndexKey a0) -> bool
2310  has_attribute(Angle self, ObjectKey a0) -> bool
2311  """
2312  return _IMP_atom.Angle_has_attribute(self, *args)
2313 
2314 
2315  def get_derivative(self, a0):
2316  """get_derivative(Angle self, FloatKey a0) -> double"""
2317  return _IMP_atom.Angle_get_derivative(self, a0)
2318 
2319 
2320  def get_name(self):
2321  """get_name(Angle self) -> std::string"""
2322  return _IMP_atom.Angle_get_name(self)
2323 
2324 
2325  def clear_caches(self):
2326  """clear_caches(Angle self)"""
2327  return _IMP_atom.Angle_clear_caches(self)
2328 
2329 
2330  def set_name(self, a0):
2331  """set_name(Angle self, std::string a0)"""
2332  return _IMP_atom.Angle_set_name(self, a0)
2333 
2334 
2335  def set_check_level(self, a0):
2336  """set_check_level(Angle self, IMP::CheckLevel a0)"""
2337  return _IMP_atom.Angle_set_check_level(self, a0)
2338 
2339 
2340  def add_to_derivative(self, a0, a1, a2):
2341  """add_to_derivative(Angle self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2342  return _IMP_atom.Angle_add_to_derivative(self, a0, a1, a2)
2343 
2344 
2345  def set_is_optimized(self, a0, a1):
2346  """set_is_optimized(Angle self, FloatKey a0, bool a1)"""
2347  return _IMP_atom.Angle_set_is_optimized(self, a0, a1)
2348 
2349 
2350  def get_is_optimized(self, a0):
2351  """get_is_optimized(Angle self, FloatKey a0) -> bool"""
2352  return _IMP_atom.Angle_get_is_optimized(self, a0)
2353 
2354 
2355  def get_check_level(self):
2356  """get_check_level(Angle self) -> IMP::CheckLevel"""
2357  return _IMP_atom.Angle_get_check_level(self)
2358 
2359 
2360  def __eq__(self, *args):
2361  """
2362  __eq__(Angle self, Angle o) -> bool
2363  __eq__(Angle self, Particle d) -> bool
2364  """
2365  return _IMP_atom.Angle___eq__(self, *args)
2366 
2367 
2368  def __ne__(self, *args):
2369  """
2370  __ne__(Angle self, Angle o) -> bool
2371  __ne__(Angle self, Particle d) -> bool
2372  """
2373  return _IMP_atom.Angle___ne__(self, *args)
2374 
2375 
2376  def __le__(self, *args):
2377  """
2378  __le__(Angle self, Angle o) -> bool
2379  __le__(Angle self, Particle d) -> bool
2380  """
2381  return _IMP_atom.Angle___le__(self, *args)
2382 
2383 
2384  def __lt__(self, *args):
2385  """
2386  __lt__(Angle self, Angle o) -> bool
2387  __lt__(Angle self, Particle d) -> bool
2388  """
2389  return _IMP_atom.Angle___lt__(self, *args)
2390 
2391 
2392  def __ge__(self, *args):
2393  """
2394  __ge__(Angle self, Angle o) -> bool
2395  __ge__(Angle self, Particle d) -> bool
2396  """
2397  return _IMP_atom.Angle___ge__(self, *args)
2398 
2399 
2400  def __gt__(self, *args):
2401  """
2402  __gt__(Angle self, Angle o) -> bool
2403  __gt__(Angle self, Particle d) -> bool
2404  """
2405  return _IMP_atom.Angle___gt__(self, *args)
2406 
2407 
2408  def __hash__(self):
2409  """__hash__(Angle self) -> std::size_t"""
2410  return _IMP_atom.Angle___hash__(self)
2411 
2412 
2413  def __str__(self):
2414  """__str__(Angle self) -> std::string"""
2415  return _IMP_atom.Angle___str__(self)
2416 
2417 
2418  def __repr__(self):
2419  """__repr__(Angle self) -> std::string"""
2420  return _IMP_atom.Angle___repr__(self)
2421 
2422  __swig_destroy__ = _IMP_atom.delete_Angle
2423  __del__ = lambda self: None
2424 Angle_swigregister = _IMP_atom.Angle_swigregister
2425 Angle_swigregister(Angle)
2426 
2427 def Angle_setup_particle(*args):
2428  """
2429  setup_particle(Model m, ParticleIndex pi, XYZ a, XYZ b, XYZ c) -> Angle
2430  Angle_setup_particle(_ParticleAdaptor decorator, XYZ a, XYZ b, XYZ c) -> Angle
2431  """
2432  return _IMP_atom.Angle_setup_particle(*args)
2433 
2434 def Angle_get_is_setup(*args):
2435  """
2436  get_is_setup(_ParticleAdaptor p) -> bool
2437  Angle_get_is_setup(Model m, ParticleIndex pi) -> bool
2438  """
2439  return _IMP_atom.Angle_get_is_setup(*args)
2440 
2441 def Angle_get_particle_key(i):
2442  """Angle_get_particle_key(unsigned int i) -> ParticleIndexKey"""
2443  return _IMP_atom.Angle_get_particle_key(i)
2444 
2445 def Angle_get_ideal_key():
2446  """Angle_get_ideal_key() -> FloatKey"""
2447  return _IMP_atom.Angle_get_ideal_key()
2448 
2449 def Angle_get_stiffness_key():
2450  """Angle_get_stiffness_key() -> FloatKey"""
2451  return _IMP_atom.Angle_get_stiffness_key()
2452 
2453 class Dihedral(IMP.Decorator):
2454  """Proxy of C++ IMP::atom::Dihedral class."""
2455 
2456  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2457 
2458  def __init__(self, *args):
2459  """
2460  __init__(IMP::atom::Dihedral self) -> Dihedral
2461  __init__(IMP::atom::Dihedral self, Model m, ParticleIndex id) -> Dihedral
2462  __init__(IMP::atom::Dihedral self, _ParticleAdaptor d) -> Dihedral
2463  """
2464  this = _IMP_atom.new_Dihedral(*args)
2465  try:
2466  self.this.append(this)
2467  except __builtin__.Exception:
2468  self.this = this
2469 
2470  def show(self, *args):
2471  """
2472  show(Dihedral self, _ostream out)
2473  show(Dihedral self)
2474  """
2475  return _IMP_atom.Dihedral_show(self, *args)
2476 
2477 
2478  def setup_particle(*args):
2479  """
2480  setup_particle(Model m, ParticleIndex pi, XYZ a, XYZ b, XYZ c, XYZ d) -> Dihedral
2481  setup_particle(_ParticleAdaptor decorator, XYZ a, XYZ b, XYZ c, XYZ d) -> Dihedral
2482  """
2483  return _IMP_atom.Dihedral_setup_particle(*args)
2484 
2485  setup_particle = staticmethod(setup_particle)
2486 
2487  def get_is_setup(*args):
2488  """
2489  get_is_setup(_ParticleAdaptor p) -> bool
2490  get_is_setup(Model m, ParticleIndex pi) -> bool
2491  """
2492  return _IMP_atom.Dihedral_get_is_setup(*args)
2493 
2494  get_is_setup = staticmethod(get_is_setup)
2495 
2496  def get_particle(self, *args):
2497  """
2498  get_particle(Dihedral self) -> Particle
2499  get_particle(Dihedral self, unsigned int i) -> Particle
2500  """
2501  return _IMP_atom.Dihedral_get_particle(self, *args)
2502 
2503 
2504  def get_ideal(self):
2505  """get_ideal(Dihedral self) -> IMP::Float"""
2506  return _IMP_atom.Dihedral_get_ideal(self)
2507 
2508 
2509  def set_ideal(self, t):
2510  """set_ideal(Dihedral self, IMP::Float t)"""
2511  return _IMP_atom.Dihedral_set_ideal(self, t)
2512 
2513 
2514  def get_multiplicity(self):
2515  """get_multiplicity(Dihedral self) -> IMP::Int"""
2516  return _IMP_atom.Dihedral_get_multiplicity(self)
2517 
2518 
2519  def set_multiplicity(self, t):
2520  """set_multiplicity(Dihedral self, IMP::Int t)"""
2521  return _IMP_atom.Dihedral_set_multiplicity(self, t)
2522 
2523 
2524  def get_stiffness(self):
2525  """get_stiffness(Dihedral self) -> IMP::Float"""
2526  return _IMP_atom.Dihedral_get_stiffness(self)
2527 
2528 
2529  def set_stiffness(self, t):
2530  """set_stiffness(Dihedral self, IMP::Float t)"""
2531  return _IMP_atom.Dihedral_set_stiffness(self, t)
2532 
2533 
2534  def get_particle_key(i):
2535  """get_particle_key(unsigned int i) -> ParticleIndexKey"""
2536  return _IMP_atom.Dihedral_get_particle_key(i)
2537 
2538  get_particle_key = staticmethod(get_particle_key)
2539 
2540  def get_ideal_key():
2541  """get_ideal_key() -> FloatKey"""
2542  return _IMP_atom.Dihedral_get_ideal_key()
2543 
2544  get_ideal_key = staticmethod(get_ideal_key)
2545 
2546  def get_multiplicity_key():
2547  """get_multiplicity_key() -> IntKey"""
2548  return _IMP_atom.Dihedral_get_multiplicity_key()
2549 
2550  get_multiplicity_key = staticmethod(get_multiplicity_key)
2551 
2552  def get_stiffness_key():
2553  """get_stiffness_key() -> FloatKey"""
2554  return _IMP_atom.Dihedral_get_stiffness_key()
2555 
2556  get_stiffness_key = staticmethod(get_stiffness_key)
2557 
2558  def add_attribute(self, *args):
2559  """
2560  add_attribute(Dihedral self, FloatKey k, IMP::Float v, bool opt)
2561  add_attribute(Dihedral self, FloatKey a0, IMP::Float a1)
2562  add_attribute(Dihedral self, IntKey a0, IMP::Int a1)
2563  add_attribute(Dihedral self, StringKey a0, IMP::String a1)
2564  add_attribute(Dihedral self, ParticleIndexKey a0, Particle a1)
2565  add_attribute(Dihedral self, ObjectKey a0, Object a1)
2566  """
2567  return _IMP_atom.Dihedral_add_attribute(self, *args)
2568 
2569 
2570  def get_value(self, *args):
2571  """
2572  get_value(Dihedral self, FloatKey a0) -> IMP::Float
2573  get_value(Dihedral self, IntKey a0) -> IMP::Int
2574  get_value(Dihedral self, StringKey a0) -> IMP::String
2575  get_value(Dihedral self, ParticleIndexKey a0) -> Particle
2576  get_value(Dihedral self, ObjectKey a0) -> Object
2577  """
2578  return _IMP_atom.Dihedral_get_value(self, *args)
2579 
2580 
2581  def set_value(self, *args):
2582  """
2583  set_value(Dihedral self, FloatKey a0, IMP::Float a1)
2584  set_value(Dihedral self, IntKey a0, IMP::Int a1)
2585  set_value(Dihedral self, StringKey a0, IMP::String a1)
2586  set_value(Dihedral self, ParticleIndexKey a0, Particle a1)
2587  set_value(Dihedral self, ObjectKey a0, Object a1)
2588  """
2589  return _IMP_atom.Dihedral_set_value(self, *args)
2590 
2591 
2592  def remove_attribute(self, *args):
2593  """
2594  remove_attribute(Dihedral self, FloatKey a0)
2595  remove_attribute(Dihedral self, IntKey a0)
2596  remove_attribute(Dihedral self, StringKey a0)
2597  remove_attribute(Dihedral self, ParticleIndexKey a0)
2598  remove_attribute(Dihedral self, ObjectKey a0)
2599  """
2600  return _IMP_atom.Dihedral_remove_attribute(self, *args)
2601 
2602 
2603  def has_attribute(self, *args):
2604  """
2605  has_attribute(Dihedral self, FloatKey a0) -> bool
2606  has_attribute(Dihedral self, IntKey a0) -> bool
2607  has_attribute(Dihedral self, StringKey a0) -> bool
2608  has_attribute(Dihedral self, ParticleIndexKey a0) -> bool
2609  has_attribute(Dihedral self, ObjectKey a0) -> bool
2610  """
2611  return _IMP_atom.Dihedral_has_attribute(self, *args)
2612 
2613 
2614  def get_derivative(self, a0):
2615  """get_derivative(Dihedral self, FloatKey a0) -> double"""
2616  return _IMP_atom.Dihedral_get_derivative(self, a0)
2617 
2618 
2619  def get_name(self):
2620  """get_name(Dihedral self) -> std::string"""
2621  return _IMP_atom.Dihedral_get_name(self)
2622 
2623 
2624  def clear_caches(self):
2625  """clear_caches(Dihedral self)"""
2626  return _IMP_atom.Dihedral_clear_caches(self)
2627 
2628 
2629  def set_name(self, a0):
2630  """set_name(Dihedral self, std::string a0)"""
2631  return _IMP_atom.Dihedral_set_name(self, a0)
2632 
2633 
2634  def set_check_level(self, a0):
2635  """set_check_level(Dihedral self, IMP::CheckLevel a0)"""
2636  return _IMP_atom.Dihedral_set_check_level(self, a0)
2637 
2638 
2639  def add_to_derivative(self, a0, a1, a2):
2640  """add_to_derivative(Dihedral self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2641  return _IMP_atom.Dihedral_add_to_derivative(self, a0, a1, a2)
2642 
2643 
2644  def set_is_optimized(self, a0, a1):
2645  """set_is_optimized(Dihedral self, FloatKey a0, bool a1)"""
2646  return _IMP_atom.Dihedral_set_is_optimized(self, a0, a1)
2647 
2648 
2649  def get_is_optimized(self, a0):
2650  """get_is_optimized(Dihedral self, FloatKey a0) -> bool"""
2651  return _IMP_atom.Dihedral_get_is_optimized(self, a0)
2652 
2653 
2654  def get_check_level(self):
2655  """get_check_level(Dihedral self) -> IMP::CheckLevel"""
2656  return _IMP_atom.Dihedral_get_check_level(self)
2657 
2658 
2659  def __eq__(self, *args):
2660  """
2661  __eq__(Dihedral self, Dihedral o) -> bool
2662  __eq__(Dihedral self, Particle d) -> bool
2663  """
2664  return _IMP_atom.Dihedral___eq__(self, *args)
2665 
2666 
2667  def __ne__(self, *args):
2668  """
2669  __ne__(Dihedral self, Dihedral o) -> bool
2670  __ne__(Dihedral self, Particle d) -> bool
2671  """
2672  return _IMP_atom.Dihedral___ne__(self, *args)
2673 
2674 
2675  def __le__(self, *args):
2676  """
2677  __le__(Dihedral self, Dihedral o) -> bool
2678  __le__(Dihedral self, Particle d) -> bool
2679  """
2680  return _IMP_atom.Dihedral___le__(self, *args)
2681 
2682 
2683  def __lt__(self, *args):
2684  """
2685  __lt__(Dihedral self, Dihedral o) -> bool
2686  __lt__(Dihedral self, Particle d) -> bool
2687  """
2688  return _IMP_atom.Dihedral___lt__(self, *args)
2689 
2690 
2691  def __ge__(self, *args):
2692  """
2693  __ge__(Dihedral self, Dihedral o) -> bool
2694  __ge__(Dihedral self, Particle d) -> bool
2695  """
2696  return _IMP_atom.Dihedral___ge__(self, *args)
2697 
2698 
2699  def __gt__(self, *args):
2700  """
2701  __gt__(Dihedral self, Dihedral o) -> bool
2702  __gt__(Dihedral self, Particle d) -> bool
2703  """
2704  return _IMP_atom.Dihedral___gt__(self, *args)
2705 
2706 
2707  def __hash__(self):
2708  """__hash__(Dihedral self) -> std::size_t"""
2709  return _IMP_atom.Dihedral___hash__(self)
2710 
2711 
2712  def __str__(self):
2713  """__str__(Dihedral self) -> std::string"""
2714  return _IMP_atom.Dihedral___str__(self)
2715 
2716 
2717  def __repr__(self):
2718  """__repr__(Dihedral self) -> std::string"""
2719  return _IMP_atom.Dihedral___repr__(self)
2720 
2721  __swig_destroy__ = _IMP_atom.delete_Dihedral
2722  __del__ = lambda self: None
2723 Dihedral_swigregister = _IMP_atom.Dihedral_swigregister
2724 Dihedral_swigregister(Dihedral)
2725 
2726 def Dihedral_setup_particle(*args):
2727  """
2728  setup_particle(Model m, ParticleIndex pi, XYZ a, XYZ b, XYZ c, XYZ d) -> Dihedral
2729  Dihedral_setup_particle(_ParticleAdaptor decorator, XYZ a, XYZ b, XYZ c, XYZ d) -> Dihedral
2730  """
2731  return _IMP_atom.Dihedral_setup_particle(*args)
2732 
2733 def Dihedral_get_is_setup(*args):
2734  """
2735  get_is_setup(_ParticleAdaptor p) -> bool
2736  Dihedral_get_is_setup(Model m, ParticleIndex pi) -> bool
2737  """
2738  return _IMP_atom.Dihedral_get_is_setup(*args)
2739 
2740 def Dihedral_get_particle_key(i):
2741  """Dihedral_get_particle_key(unsigned int i) -> ParticleIndexKey"""
2742  return _IMP_atom.Dihedral_get_particle_key(i)
2743 
2744 def Dihedral_get_ideal_key():
2745  """Dihedral_get_ideal_key() -> FloatKey"""
2746  return _IMP_atom.Dihedral_get_ideal_key()
2747 
2748 def Dihedral_get_multiplicity_key():
2749  """Dihedral_get_multiplicity_key() -> IntKey"""
2750  return _IMP_atom.Dihedral_get_multiplicity_key()
2751 
2752 def Dihedral_get_stiffness_key():
2753  """Dihedral_get_stiffness_key() -> FloatKey"""
2754  return _IMP_atom.Dihedral_get_stiffness_key()
2755 
2756 class SmoothingFunction(IMP.Object):
2757  """Proxy of C++ IMP::atom::SmoothingFunction class."""
2758 
2759  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2760 
2761  def __init__(self, *args, **kwargs):
2762  raise AttributeError("No constructor defined - class is abstract")
2763 
2764  def __call__(self, *args):
2765  """
2766  __call__(SmoothingFunction self, double score, double distance) -> double
2767  __call__(SmoothingFunction self, double score, double deriv, double distance) -> IMP::DerivativePair
2768  """
2769  return _IMP_atom.SmoothingFunction___call__(self, *args)
2770 
2771  __swig_destroy__ = _IMP_atom.delete_SmoothingFunction
2772  __del__ = lambda self: None
2773 
2774  def __str__(self):
2775  """__str__(SmoothingFunction self) -> std::string"""
2776  return _IMP_atom.SmoothingFunction___str__(self)
2777 
2778 
2779  def __repr__(self):
2780  """__repr__(SmoothingFunction self) -> std::string"""
2781  return _IMP_atom.SmoothingFunction___repr__(self)
2782 
2783 
2784  @staticmethod
2785  def get_from(o):
2786  return _object_cast_to_SmoothingFunction(o)
2787 
2788 SmoothingFunction_swigregister = _IMP_atom.SmoothingFunction_swigregister
2789 SmoothingFunction_swigregister(SmoothingFunction)
2790 
2791 class ForceSwitch(SmoothingFunction):
2792  """Proxy of C++ IMP::atom::ForceSwitch class."""
2793 
2794  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2795 
2796  def __init__(self, min_distance, max_distance):
2797  """__init__(IMP::atom::ForceSwitch self, double min_distance, double max_distance) -> ForceSwitch"""
2798  this = _IMP_atom.new_ForceSwitch(min_distance, max_distance)
2799  try:
2800  self.this.append(this)
2801  except __builtin__.Exception:
2802  self.this = this
2803 
2804  def __call__(self, *args):
2805  """
2806  __call__(ForceSwitch self, double score, double distance) -> double
2807  __call__(ForceSwitch self, double score, double deriv, double distance) -> IMP::DerivativePair
2808  """
2809  return _IMP_atom.ForceSwitch___call__(self, *args)
2810 
2811 
2812  def get_version_info(self):
2813  """get_version_info(ForceSwitch self) -> VersionInfo"""
2814  return _IMP_atom.ForceSwitch_get_version_info(self)
2815 
2816 
2817  def __str__(self):
2818  """__str__(ForceSwitch self) -> std::string"""
2819  return _IMP_atom.ForceSwitch___str__(self)
2820 
2821 
2822  def __repr__(self):
2823  """__repr__(ForceSwitch self) -> std::string"""
2824  return _IMP_atom.ForceSwitch___repr__(self)
2825 
2826 
2827  @staticmethod
2828  def get_from(o):
2829  return _object_cast_to_ForceSwitch(o)
2830 
2831 ForceSwitch_swigregister = _IMP_atom.ForceSwitch_swigregister
2832 ForceSwitch_swigregister(ForceSwitch)
2833 
2834 class AngleSingletonScore(IMP.SingletonScore):
2835  """Proxy of C++ IMP::atom::AngleSingletonScore class."""
2836 
2837  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2838 
2839  def __init__(self, f):
2840  """__init__(IMP::atom::AngleSingletonScore self, UnaryFunction f) -> AngleSingletonScore"""
2841  this = _IMP_atom.new_AngleSingletonScore(f)
2842  try:
2843  self.this.append(this)
2844  except __builtin__.Exception:
2845  self.this = this
2846 
2847  def do_get_inputs(self, m, pis):
2848  """do_get_inputs(AngleSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
2849  return _IMP_atom.AngleSingletonScore_do_get_inputs(self, m, pis)
2850 
2851 
2852  def get_version_info(self):
2853  """get_version_info(AngleSingletonScore self) -> VersionInfo"""
2854  return _IMP_atom.AngleSingletonScore_get_version_info(self)
2855 
2856 
2857  def __str__(self):
2858  """__str__(AngleSingletonScore self) -> std::string"""
2859  return _IMP_atom.AngleSingletonScore___str__(self)
2860 
2861 
2862  def __repr__(self):
2863  """__repr__(AngleSingletonScore self) -> std::string"""
2864  return _IMP_atom.AngleSingletonScore___repr__(self)
2865 
2866 
2867  @staticmethod
2868  def get_from(o):
2869  return _object_cast_to_AngleSingletonScore(o)
2870 
2871 AngleSingletonScore_swigregister = _IMP_atom.AngleSingletonScore_swigregister
2872 AngleSingletonScore_swigregister(AngleSingletonScore)
2873 
2874 class BondEndpointsRefiner(IMP.Refiner):
2875  """Proxy of C++ IMP::atom::BondEndpointsRefiner class."""
2876 
2877  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2878 
2879  def __init__(self):
2880  """__init__(IMP::atom::BondEndpointsRefiner self) -> BondEndpointsRefiner"""
2881  this = _IMP_atom.new_BondEndpointsRefiner()
2882  try:
2883  self.this.append(this)
2884  except __builtin__.Exception:
2885  self.this = this
2886 
2887  def do_get_inputs(self, m, pis):
2888  """do_get_inputs(BondEndpointsRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
2889  return _IMP_atom.BondEndpointsRefiner_do_get_inputs(self, m, pis)
2890 
2891 
2892  def get_version_info(self):
2893  """get_version_info(BondEndpointsRefiner self) -> VersionInfo"""
2894  return _IMP_atom.BondEndpointsRefiner_get_version_info(self)
2895 
2896 
2897  def __str__(self):
2898  """__str__(BondEndpointsRefiner self) -> std::string"""
2899  return _IMP_atom.BondEndpointsRefiner___str__(self)
2900 
2901 
2902  def __repr__(self):
2903  """__repr__(BondEndpointsRefiner self) -> std::string"""
2904  return _IMP_atom.BondEndpointsRefiner___repr__(self)
2905 
2906 
2907  @staticmethod
2908  def get_from(o):
2909  return _object_cast_to_BondEndpointsRefiner(o)
2910 
2911 BondEndpointsRefiner_swigregister = _IMP_atom.BondEndpointsRefiner_swigregister
2912 BondEndpointsRefiner_swigregister(BondEndpointsRefiner)
2913 
2914 class BondPairContainer(IMP.PairContainer):
2915  """Proxy of C++ IMP::atom::BondPairContainer class."""
2916 
2917  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2918 
2919  def __init__(self, sc):
2920  """__init__(IMP::atom::BondPairContainer self, SingletonContainer sc) -> BondPairContainer"""
2921  this = _IMP_atom.new_BondPairContainer(sc)
2922  try:
2923  self.this.append(this)
2924  except __builtin__.Exception:
2925  self.this = this
2926 
2927  def do_get_inputs(self):
2928  """do_get_inputs(BondPairContainer self) -> IMP::ModelObjectsTemp"""
2929  return _IMP_atom.BondPairContainer_do_get_inputs(self)
2930 
2931 
2932  def do_apply(self, sm):
2933  """do_apply(BondPairContainer self, PairModifier sm)"""
2934  return _IMP_atom.BondPairContainer_do_apply(self, sm)
2935 
2936 
2937  def get_version_info(self):
2938  """get_version_info(BondPairContainer self) -> VersionInfo"""
2939  return _IMP_atom.BondPairContainer_get_version_info(self)
2940 
2941 
2942  def __str__(self):
2943  """__str__(BondPairContainer self) -> std::string"""
2944  return _IMP_atom.BondPairContainer___str__(self)
2945 
2946 
2947  def __repr__(self):
2948  """__repr__(BondPairContainer self) -> std::string"""
2949  return _IMP_atom.BondPairContainer___repr__(self)
2950 
2951 
2952  @staticmethod
2953  def get_from(o):
2954  return _object_cast_to_BondPairContainer(o)
2955 
2956 BondPairContainer_swigregister = _IMP_atom.BondPairContainer_swigregister
2957 BondPairContainer_swigregister(BondPairContainer)
2958 
2959 class BondSingletonScore(IMP.SingletonScore):
2960  """Proxy of C++ IMP::atom::BondSingletonScore class."""
2961 
2962  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2963 
2964  def __init__(self, f):
2965  """__init__(IMP::atom::BondSingletonScore self, UnaryFunction f) -> BondSingletonScore"""
2966  this = _IMP_atom.new_BondSingletonScore(f)
2967  try:
2968  self.this.append(this)
2969  except __builtin__.Exception:
2970  self.this = this
2971 
2972  def get_unary_function(self):
2973  """get_unary_function(BondSingletonScore self) -> UnaryFunction"""
2974  return _IMP_atom.BondSingletonScore_get_unary_function(self)
2975 
2976 
2977  def do_get_inputs(self, m, pis):
2978  """do_get_inputs(BondSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
2979  return _IMP_atom.BondSingletonScore_do_get_inputs(self, m, pis)
2980 
2981 
2982  def get_version_info(self):
2983  """get_version_info(BondSingletonScore self) -> VersionInfo"""
2984  return _IMP_atom.BondSingletonScore_get_version_info(self)
2985 
2986 
2987  def __str__(self):
2988  """__str__(BondSingletonScore self) -> std::string"""
2989  return _IMP_atom.BondSingletonScore___str__(self)
2990 
2991 
2992  def __repr__(self):
2993  """__repr__(BondSingletonScore self) -> std::string"""
2994  return _IMP_atom.BondSingletonScore___repr__(self)
2995 
2996 
2997  @staticmethod
2998  def get_from(o):
2999  return _object_cast_to_BondSingletonScore(o)
3000 
3001 BondSingletonScore_swigregister = _IMP_atom.BondSingletonScore_swigregister
3002 BondSingletonScore_swigregister(BondSingletonScore)
3003 
3004 class DihedralSingletonScore(IMP.SingletonScore):
3005  """Proxy of C++ IMP::atom::DihedralSingletonScore class."""
3006 
3007  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3008 
3009  def __init__(self):
3010  """__init__(IMP::atom::DihedralSingletonScore self) -> DihedralSingletonScore"""
3011  this = _IMP_atom.new_DihedralSingletonScore()
3012  try:
3013  self.this.append(this)
3014  except __builtin__.Exception:
3015  self.this = this
3016 
3017  def do_get_inputs(self, m, pis):
3018  """do_get_inputs(DihedralSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3019  return _IMP_atom.DihedralSingletonScore_do_get_inputs(self, m, pis)
3020 
3021 
3022  def get_version_info(self):
3023  """get_version_info(DihedralSingletonScore self) -> VersionInfo"""
3024  return _IMP_atom.DihedralSingletonScore_get_version_info(self)
3025 
3026 
3027  def __str__(self):
3028  """__str__(DihedralSingletonScore self) -> std::string"""
3029  return _IMP_atom.DihedralSingletonScore___str__(self)
3030 
3031 
3032  def __repr__(self):
3033  """__repr__(DihedralSingletonScore self) -> std::string"""
3034  return _IMP_atom.DihedralSingletonScore___repr__(self)
3035 
3036 
3037  @staticmethod
3038  def get_from(o):
3039  return _object_cast_to_DihedralSingletonScore(o)
3040 
3041 DihedralSingletonScore_swigregister = _IMP_atom.DihedralSingletonScore_swigregister
3042 DihedralSingletonScore_swigregister(DihedralSingletonScore)
3043 
3044 class ImproperSingletonScore(IMP.SingletonScore):
3045  """Proxy of C++ IMP::atom::ImproperSingletonScore class."""
3046 
3047  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3048 
3049  def __init__(self, f):
3050  """__init__(IMP::atom::ImproperSingletonScore self, UnaryFunction f) -> ImproperSingletonScore"""
3051  this = _IMP_atom.new_ImproperSingletonScore(f)
3052  try:
3053  self.this.append(this)
3054  except __builtin__.Exception:
3055  self.this = this
3056 
3057  def do_get_inputs(self, m, pis):
3058  """do_get_inputs(ImproperSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3059  return _IMP_atom.ImproperSingletonScore_do_get_inputs(self, m, pis)
3060 
3061 
3062  def get_version_info(self):
3063  """get_version_info(ImproperSingletonScore self) -> VersionInfo"""
3064  return _IMP_atom.ImproperSingletonScore_get_version_info(self)
3065 
3066 
3067  def __str__(self):
3068  """__str__(ImproperSingletonScore self) -> std::string"""
3069  return _IMP_atom.ImproperSingletonScore___str__(self)
3070 
3071 
3072  def __repr__(self):
3073  """__repr__(ImproperSingletonScore self) -> std::string"""
3074  return _IMP_atom.ImproperSingletonScore___repr__(self)
3075 
3076 
3077  @staticmethod
3078  def get_from(o):
3079  return _object_cast_to_ImproperSingletonScore(o)
3080 
3081 ImproperSingletonScore_swigregister = _IMP_atom.ImproperSingletonScore_swigregister
3082 ImproperSingletonScore_swigregister(ImproperSingletonScore)
3083 
3084 class CenterOfMass(IMP.Decorator):
3085  """Proxy of C++ IMP::atom::CenterOfMass class."""
3086 
3087  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3088 
3089  def get_constraint(self):
3090  """get_constraint(CenterOfMass self) -> Constraint"""
3091  return _IMP_atom.CenterOfMass_get_constraint(self)
3092 
3093 
3094  def get_mass(self):
3095  """get_mass(CenterOfMass self) -> IMP::Float"""
3096  return _IMP_atom.CenterOfMass_get_mass(self)
3097 
3098 
3099  def get_coordinate(self, i):
3100  """get_coordinate(CenterOfMass self, int i) -> IMP::Float"""
3101  return _IMP_atom.CenterOfMass_get_coordinate(self, i)
3102 
3103 
3104  def get_coordinates(self):
3105  """get_coordinates(CenterOfMass self) -> Vector3D"""
3106  return _IMP_atom.CenterOfMass_get_coordinates(self)
3107 
3108 
3109  def __init__(self, *args):
3110  """
3111  __init__(IMP::atom::CenterOfMass self) -> CenterOfMass
3112  __init__(IMP::atom::CenterOfMass self, Model m, ParticleIndex id) -> CenterOfMass
3113  __init__(IMP::atom::CenterOfMass self, _ParticleAdaptor d) -> CenterOfMass
3114  """
3115  this = _IMP_atom.new_CenterOfMass(*args)
3116  try:
3117  self.this.append(this)
3118  except __builtin__.Exception:
3119  self.this = this
3120 
3121  def show(self, *args):
3122  """
3123  show(CenterOfMass self, _ostream out)
3124  show(CenterOfMass self)
3125  """
3126  return _IMP_atom.CenterOfMass_show(self, *args)
3127 
3128 
3129  def setup_particle(*args):
3130  """
3131  setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> CenterOfMass
3132  setup_particle(_ParticleAdaptor decorator, _ParticleIndexesAdaptor members) -> CenterOfMass
3133  setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> CenterOfMass
3134  setup_particle(_ParticleAdaptor decorator, Refiner refiner) -> CenterOfMass
3135  """
3136  return _IMP_atom.CenterOfMass_setup_particle(*args)
3137 
3138  setup_particle = staticmethod(setup_particle)
3139 
3140  def get_is_setup(*args):
3141  """
3142  get_is_setup(_ParticleAdaptor p) -> bool
3143  get_is_setup(Model m, ParticleIndex pi) -> bool
3144  """
3145  return _IMP_atom.CenterOfMass_get_is_setup(*args)
3146 
3147  get_is_setup = staticmethod(get_is_setup)
3148 
3149  def add_attribute(self, *args):
3150  """
3151  add_attribute(CenterOfMass self, FloatKey k, IMP::Float v, bool opt)
3152  add_attribute(CenterOfMass self, FloatKey a0, IMP::Float a1)
3153  add_attribute(CenterOfMass self, IntKey a0, IMP::Int a1)
3154  add_attribute(CenterOfMass self, StringKey a0, IMP::String a1)
3155  add_attribute(CenterOfMass self, ParticleIndexKey a0, Particle a1)
3156  add_attribute(CenterOfMass self, ObjectKey a0, Object a1)
3157  """
3158  return _IMP_atom.CenterOfMass_add_attribute(self, *args)
3159 
3160 
3161  def get_value(self, *args):
3162  """
3163  get_value(CenterOfMass self, FloatKey a0) -> IMP::Float
3164  get_value(CenterOfMass self, IntKey a0) -> IMP::Int
3165  get_value(CenterOfMass self, StringKey a0) -> IMP::String
3166  get_value(CenterOfMass self, ParticleIndexKey a0) -> Particle
3167  get_value(CenterOfMass self, ObjectKey a0) -> Object
3168  """
3169  return _IMP_atom.CenterOfMass_get_value(self, *args)
3170 
3171 
3172  def set_value(self, *args):
3173  """
3174  set_value(CenterOfMass self, FloatKey a0, IMP::Float a1)
3175  set_value(CenterOfMass self, IntKey a0, IMP::Int a1)
3176  set_value(CenterOfMass self, StringKey a0, IMP::String a1)
3177  set_value(CenterOfMass self, ParticleIndexKey a0, Particle a1)
3178  set_value(CenterOfMass self, ObjectKey a0, Object a1)
3179  """
3180  return _IMP_atom.CenterOfMass_set_value(self, *args)
3181 
3182 
3183  def remove_attribute(self, *args):
3184  """
3185  remove_attribute(CenterOfMass self, FloatKey a0)
3186  remove_attribute(CenterOfMass self, IntKey a0)
3187  remove_attribute(CenterOfMass self, StringKey a0)
3188  remove_attribute(CenterOfMass self, ParticleIndexKey a0)
3189  remove_attribute(CenterOfMass self, ObjectKey a0)
3190  """
3191  return _IMP_atom.CenterOfMass_remove_attribute(self, *args)
3192 
3193 
3194  def has_attribute(self, *args):
3195  """
3196  has_attribute(CenterOfMass self, FloatKey a0) -> bool
3197  has_attribute(CenterOfMass self, IntKey a0) -> bool
3198  has_attribute(CenterOfMass self, StringKey a0) -> bool
3199  has_attribute(CenterOfMass self, ParticleIndexKey a0) -> bool
3200  has_attribute(CenterOfMass self, ObjectKey a0) -> bool
3201  """
3202  return _IMP_atom.CenterOfMass_has_attribute(self, *args)
3203 
3204 
3205  def get_derivative(self, a0):
3206  """get_derivative(CenterOfMass self, FloatKey a0) -> double"""
3207  return _IMP_atom.CenterOfMass_get_derivative(self, a0)
3208 
3209 
3210  def get_name(self):
3211  """get_name(CenterOfMass self) -> std::string"""
3212  return _IMP_atom.CenterOfMass_get_name(self)
3213 
3214 
3215  def clear_caches(self):
3216  """clear_caches(CenterOfMass self)"""
3217  return _IMP_atom.CenterOfMass_clear_caches(self)
3218 
3219 
3220  def set_name(self, a0):
3221  """set_name(CenterOfMass self, std::string a0)"""
3222  return _IMP_atom.CenterOfMass_set_name(self, a0)
3223 
3224 
3225  def set_check_level(self, a0):
3226  """set_check_level(CenterOfMass self, IMP::CheckLevel a0)"""
3227  return _IMP_atom.CenterOfMass_set_check_level(self, a0)
3228 
3229 
3230  def add_to_derivative(self, a0, a1, a2):
3231  """add_to_derivative(CenterOfMass self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3232  return _IMP_atom.CenterOfMass_add_to_derivative(self, a0, a1, a2)
3233 
3234 
3235  def set_is_optimized(self, a0, a1):
3236  """set_is_optimized(CenterOfMass self, FloatKey a0, bool a1)"""
3237  return _IMP_atom.CenterOfMass_set_is_optimized(self, a0, a1)
3238 
3239 
3240  def get_is_optimized(self, a0):
3241  """get_is_optimized(CenterOfMass self, FloatKey a0) -> bool"""
3242  return _IMP_atom.CenterOfMass_get_is_optimized(self, a0)
3243 
3244 
3245  def get_check_level(self):
3246  """get_check_level(CenterOfMass self) -> IMP::CheckLevel"""
3247  return _IMP_atom.CenterOfMass_get_check_level(self)
3248 
3249 
3250  def __eq__(self, *args):
3251  """
3252  __eq__(CenterOfMass self, CenterOfMass o) -> bool
3253  __eq__(CenterOfMass self, Particle d) -> bool
3254  """
3255  return _IMP_atom.CenterOfMass___eq__(self, *args)
3256 
3257 
3258  def __ne__(self, *args):
3259  """
3260  __ne__(CenterOfMass self, CenterOfMass o) -> bool
3261  __ne__(CenterOfMass self, Particle d) -> bool
3262  """
3263  return _IMP_atom.CenterOfMass___ne__(self, *args)
3264 
3265 
3266  def __le__(self, *args):
3267  """
3268  __le__(CenterOfMass self, CenterOfMass o) -> bool
3269  __le__(CenterOfMass self, Particle d) -> bool
3270  """
3271  return _IMP_atom.CenterOfMass___le__(self, *args)
3272 
3273 
3274  def __lt__(self, *args):
3275  """
3276  __lt__(CenterOfMass self, CenterOfMass o) -> bool
3277  __lt__(CenterOfMass self, Particle d) -> bool
3278  """
3279  return _IMP_atom.CenterOfMass___lt__(self, *args)
3280 
3281 
3282  def __ge__(self, *args):
3283  """
3284  __ge__(CenterOfMass self, CenterOfMass o) -> bool
3285  __ge__(CenterOfMass self, Particle d) -> bool
3286  """
3287  return _IMP_atom.CenterOfMass___ge__(self, *args)
3288 
3289 
3290  def __gt__(self, *args):
3291  """
3292  __gt__(CenterOfMass self, CenterOfMass o) -> bool
3293  __gt__(CenterOfMass self, Particle d) -> bool
3294  """
3295  return _IMP_atom.CenterOfMass___gt__(self, *args)
3296 
3297 
3298  def __hash__(self):
3299  """__hash__(CenterOfMass self) -> std::size_t"""
3300  return _IMP_atom.CenterOfMass___hash__(self)
3301 
3302 
3303  def __str__(self):
3304  """__str__(CenterOfMass self) -> std::string"""
3305  return _IMP_atom.CenterOfMass___str__(self)
3306 
3307 
3308  def __repr__(self):
3309  """__repr__(CenterOfMass self) -> std::string"""
3310  return _IMP_atom.CenterOfMass___repr__(self)
3311 
3312  __swig_destroy__ = _IMP_atom.delete_CenterOfMass
3313  __del__ = lambda self: None
3314 CenterOfMass_swigregister = _IMP_atom.CenterOfMass_swigregister
3315 CenterOfMass_swigregister(CenterOfMass)
3316 
3317 def CenterOfMass_setup_particle(*args):
3318  """
3319  setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> CenterOfMass
3320  setup_particle(_ParticleAdaptor decorator, _ParticleIndexesAdaptor members) -> CenterOfMass
3321  setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> CenterOfMass
3322  CenterOfMass_setup_particle(_ParticleAdaptor decorator, Refiner refiner) -> CenterOfMass
3323  """
3324  return _IMP_atom.CenterOfMass_setup_particle(*args)
3325 
3326 def CenterOfMass_get_is_setup(*args):
3327  """
3328  get_is_setup(_ParticleAdaptor p) -> bool
3329  CenterOfMass_get_is_setup(Model m, ParticleIndex pi) -> bool
3330  """
3331  return _IMP_atom.CenterOfMass_get_is_setup(*args)
3332 
3333 class CoverBond(IMP.SingletonModifier):
3334  """Proxy of C++ IMP::atom::CoverBond class."""
3335 
3336  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3337 
3338  def __init__(self):
3339  """__init__(IMP::atom::CoverBond self) -> CoverBond"""
3340  this = _IMP_atom.new_CoverBond()
3341  try:
3342  self.this.append(this)
3343  except __builtin__.Exception:
3344  self.this = this
3345 
3346  def do_get_inputs(self, m, pis):
3347  """do_get_inputs(CoverBond self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3348  return _IMP_atom.CoverBond_do_get_inputs(self, m, pis)
3349 
3350 
3351  def do_get_outputs(self, m, pis):
3352  """do_get_outputs(CoverBond self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3353  return _IMP_atom.CoverBond_do_get_outputs(self, m, pis)
3354 
3355 
3356  def get_version_info(self):
3357  """get_version_info(CoverBond self) -> VersionInfo"""
3358  return _IMP_atom.CoverBond_get_version_info(self)
3359 
3360 
3361  def __str__(self):
3362  """__str__(CoverBond self) -> std::string"""
3363  return _IMP_atom.CoverBond___str__(self)
3364 
3365 
3366  def __repr__(self):
3367  """__repr__(CoverBond self) -> std::string"""
3368  return _IMP_atom.CoverBond___repr__(self)
3369 
3370 
3371  @staticmethod
3372  def get_from(o):
3373  return _object_cast_to_CoverBond(o)
3374 
3375 CoverBond_swigregister = _IMP_atom.CoverBond_swigregister
3376 CoverBond_swigregister(CoverBond)
3377 
3378 class Simulator(IMP.Optimizer):
3379  """Proxy of C++ IMP::atom::Simulator class."""
3380 
3381  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3382 
3383  def __init__(self, *args):
3384  """
3385  __init__(IMP::atom::Simulator self, Model m, std::string name, double wave_factor=1.0) -> Simulator
3386  __init__(IMP::atom::Simulator self, Model m, std::string name) -> Simulator
3387  __init__(IMP::atom::Simulator self, Model m) -> Simulator
3388  """
3389  if self.__class__ == Simulator:
3390  _self = None
3391  else:
3392  _self = self
3393  this = _IMP_atom.new_Simulator(_self, *args)
3394  try:
3395  self.this.append(this)
3396  except __builtin__.Exception:
3397  self.this = this
3398 
3399  if self.__class__ != Simulator:
3400  _director_objects.register(self)
3401 
3402 
3403 
3404 
3405  def simulate(self, time_in_fs):
3406  """simulate(Simulator self, double time_in_fs) -> double"""
3407  return _IMP_atom.Simulator_simulate(self, time_in_fs)
3408 
3409 
3410  def simulate_wave(self, time_in_fs, max_time_step_factor=10.0, base=1.5):
3411  """
3412  simulate_wave(Simulator self, double time_in_fs, double max_time_step_factor=10.0, double base=1.5) -> double
3413  simulate_wave(Simulator self, double time_in_fs, double max_time_step_factor=10.0) -> double
3414  simulate_wave(Simulator self, double time_in_fs) -> double
3415  """
3416  return _IMP_atom.Simulator_simulate_wave(self, time_in_fs, max_time_step_factor, base)
3417 
3418 
3419  def get_temperature(self):
3420  """get_temperature(Simulator self) -> double"""
3421  return _IMP_atom.Simulator_get_temperature(self)
3422 
3423 
3424  def set_temperature(self, d):
3425  """set_temperature(Simulator self, double d)"""
3426  return _IMP_atom.Simulator_set_temperature(self, d)
3427 
3428 
3429  def set_maximum_time_step(self, ts):
3430  """set_maximum_time_step(Simulator self, double ts)"""
3431  return _IMP_atom.Simulator_set_maximum_time_step(self, ts)
3432 
3433 
3434  def get_maximum_time_step(self):
3435  """get_maximum_time_step(Simulator self) -> double"""
3436  return _IMP_atom.Simulator_get_maximum_time_step(self)
3437 
3438 
3439  def get_last_time_step(self):
3440  """get_last_time_step(Simulator self) -> double"""
3441  return _IMP_atom.Simulator_get_last_time_step(self)
3442 
3443 
3444  def set_time_step(self, ts):
3445  """set_time_step(Simulator self, double ts)"""
3446  return _IMP_atom.Simulator_set_time_step(self, ts)
3447 
3448 
3449  def get_kt(self):
3450  """get_kt(Simulator self) -> double"""
3451  return _IMP_atom.Simulator_get_kt(self)
3452 
3453 
3454  def get_current_time(self):
3455  """get_current_time(Simulator self) -> double"""
3456  return _IMP_atom.Simulator_get_current_time(self)
3457 
3458 
3459  def set_current_time(self, ct):
3460  """set_current_time(Simulator self, double ct)"""
3461  return _IMP_atom.Simulator_set_current_time(self, ct)
3462 
3463 
3464  def get_simulation_particles(self):
3465  """get_simulation_particles(Simulator self) -> IMP::ParticlesTemp"""
3466  return _IMP_atom.Simulator_get_simulation_particles(self)
3467 
3468 
3469  def get_simulation_particle_indexes(self):
3470  """get_simulation_particle_indexes(Simulator self) -> IMP::ParticleIndexes"""
3471  return _IMP_atom.Simulator_get_simulation_particle_indexes(self)
3472 
3473 
3474  def remove_particle(self, d):
3475  """remove_particle(Simulator self, Particle d)"""
3476  return _IMP_atom.Simulator_remove_particle(self, d)
3477 
3478 
3479  def remove_particles(self, d):
3480  """remove_particles(Simulator self, IMP::Particles const & d)"""
3481  return _IMP_atom.Simulator_remove_particles(self, d)
3482 
3483 
3484  def set_particles(self, ps):
3485  """set_particles(Simulator self, IMP::Particles const & ps)"""
3486  return _IMP_atom.Simulator_set_particles(self, ps)
3487 
3488 
3489  def set_particles_order(self, objs):
3490  """set_particles_order(Simulator self, IMP::Particles const & objs)"""
3491  return _IMP_atom.Simulator_set_particles_order(self, objs)
3492 
3493 
3494  def add_particle(self, obj):
3495  """add_particle(Simulator self, Particle obj) -> unsigned int"""
3496  return _IMP_atom.Simulator_add_particle(self, obj)
3497 
3498 
3499  def add_particles(self, objs):
3500  """add_particles(Simulator self, IMP::Particles const & objs)"""
3501  return _IMP_atom.Simulator_add_particles(self, objs)
3502 
3503 
3504  def clear_particles(self):
3505  """clear_particles(Simulator self)"""
3506  return _IMP_atom.Simulator_clear_particles(self)
3507 
3508 
3509  def get_number_of_particles(self):
3510  """get_number_of_particles(Simulator self) -> unsigned int"""
3511  return _IMP_atom.Simulator_get_number_of_particles(self)
3512 
3513 
3514  def get_has_particles(self):
3515  """get_has_particles(Simulator self) -> bool"""
3516  return _IMP_atom.Simulator_get_has_particles(self)
3517 
3518 
3519  def get_particle(self, i):
3520  """get_particle(Simulator self, unsigned int i) -> Particle"""
3521  return _IMP_atom.Simulator_get_particle(self, i)
3522 
3523 
3524  def get_particles(self):
3525  """get_particles(Simulator self) -> IMP::Particles"""
3526  return _IMP_atom.Simulator_get_particles(self)
3527 
3528 
3529  def reserve_particles(self, sz):
3530  """reserve_particles(Simulator self, unsigned int sz)"""
3531  return _IMP_atom.Simulator_reserve_particles(self, sz)
3532 
3533 
3534  def do_optimize(self, max_steps):
3535  """do_optimize(Simulator self, unsigned int max_steps) -> IMP::Float"""
3536  return _IMP_atom.Simulator_do_optimize(self, max_steps)
3537 
3538 
3539  def setup(self, arg0):
3540  """setup(Simulator self, IMP::ParticleIndexes const & arg0)"""
3541  return _IMP_atom.Simulator_setup(self, arg0)
3542 
3543 
3544  def do_step(self, sc, dt):
3545  """do_step(Simulator self, IMP::ParticleIndexes const & sc, double dt) -> double"""
3546  return _IMP_atom.Simulator_do_step(self, sc, dt)
3547 
3548 
3549  def get_is_simulation_particle(self, p):
3550  """get_is_simulation_particle(Simulator self, ParticleIndex p) -> bool"""
3551  return _IMP_atom.Simulator_get_is_simulation_particle(self, p)
3552 
3553 
3554  def do_simulate(self, time):
3555  """do_simulate(Simulator self, double time) -> double"""
3556  return _IMP_atom.Simulator_do_simulate(self, time)
3557 
3558 
3559  def do_simulate_wave(self, time_in_fs, max_time_step_factor=10.0, base=1.5):
3560  """
3561  do_simulate_wave(Simulator self, double time_in_fs, double max_time_step_factor=10.0, double base=1.5) -> double
3562  do_simulate_wave(Simulator self, double time_in_fs, double max_time_step_factor=10.0) -> double
3563  do_simulate_wave(Simulator self, double time_in_fs) -> double
3564  """
3565  return _IMP_atom.Simulator_do_simulate_wave(self, time_in_fs, max_time_step_factor, base)
3566 
3567 
3568  def __str__(self):
3569  """__str__(Simulator self) -> std::string"""
3570  return _IMP_atom.Simulator___str__(self)
3571 
3572 
3573  def __repr__(self):
3574  """__repr__(Simulator self) -> std::string"""
3575  return _IMP_atom.Simulator___repr__(self)
3576 
3577 
3578  @staticmethod
3579  def get_from(o):
3580  return _object_cast_to_Simulator(o)
3581 
3582 
3583  def get_type_name(self):
3584  return self.__class__.__name__
3585  def do_show(self, out):
3586  pass
3587  def get_version_info(self):
3588  if"IMP::atom" == "IMP":
3589  return VersionInfo(self.__module__,
3590  __import__(self.__module__).get_module_version())
3591  else:
3592  return IMP.VersionInfo(self.__module__,
3593  __import__(self.__module__).get_module_version())
3594  @staticmethod
3595  def get_from(o):
3596  return _object_cast_to_Simulator(o)
3597 
3598  __swig_destroy__ = _IMP_atom.delete_Simulator
3599  __del__ = lambda self: None
3600  def __disown__(self):
3601  self.this.disown()
3602  _IMP_atom.disown_Simulator(self)
3603  return weakref_proxy(self)
3604 
3605  def do_destroy(self):
3606  """do_destroy(Simulator self)"""
3607  return _IMP_atom.Simulator_do_destroy(self)
3608 
3609 
3610  def handle_set_has_required_score_states(self, arg0):
3611  """handle_set_has_required_score_states(Simulator self, bool arg0)"""
3612  return _IMP_atom.Simulator_handle_set_has_required_score_states(self, arg0)
3613 
3614 
3615  def do_get_inputs(self):
3616  """do_get_inputs(Simulator self) -> IMP::ModelObjectsTemp"""
3617  return _IMP_atom.Simulator_do_get_inputs(self)
3618 
3619 
3620  def do_get_outputs(self):
3621  """do_get_outputs(Simulator self) -> IMP::ModelObjectsTemp"""
3622  return _IMP_atom.Simulator_do_get_outputs(self)
3623 
3624 
3625  def do_get_interactions(self):
3626  """do_get_interactions(Simulator self) -> IMP::ModelObjectsTemps"""
3627  return _IMP_atom.Simulator_do_get_interactions(self)
3628 
3629 Simulator_swigregister = _IMP_atom.Simulator_swigregister
3630 Simulator_swigregister(Simulator)
3631 
3632 IMP_ATOM_DEFAULT_BD_RANDOM_POOL_SIZE = _IMP_atom.IMP_ATOM_DEFAULT_BD_RANDOM_POOL_SIZE
3633 class BrownianDynamics(Simulator):
3634  """Proxy of C++ IMP::atom::BrownianDynamics class."""
3635 
3636  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3637 
3638  def __init__(self, *args):
3639  """
3640  __init__(IMP::atom::BrownianDynamics self, Model m, std::string name, double wave_factor=1.0, unsigned int random_pool_size=10000) -> BrownianDynamics
3641  __init__(IMP::atom::BrownianDynamics self, Model m, std::string name, double wave_factor=1.0) -> BrownianDynamics
3642  __init__(IMP::atom::BrownianDynamics self, Model m, std::string name) -> BrownianDynamics
3643  __init__(IMP::atom::BrownianDynamics self, Model m) -> BrownianDynamics
3644  """
3645  this = _IMP_atom.new_BrownianDynamics(*args)
3646  try:
3647  self.this.append(this)
3648  except __builtin__.Exception:
3649  self.this = this
3650 
3651  def set_maximum_move(self, ms_in_A):
3652  """set_maximum_move(BrownianDynamics self, double ms_in_A)"""
3653  return _IMP_atom.BrownianDynamics_set_maximum_move(self, ms_in_A)
3654 
3655 
3656  def set_use_stochastic_runge_kutta(self, tf):
3657  """set_use_stochastic_runge_kutta(BrownianDynamics self, bool tf)"""
3658  return _IMP_atom.BrownianDynamics_set_use_stochastic_runge_kutta(self, tf)
3659 
3660 
3661  def get_version_info(self):
3662  """get_version_info(BrownianDynamics self) -> VersionInfo"""
3663  return _IMP_atom.BrownianDynamics_get_version_info(self)
3664 
3665 
3666  def __str__(self):
3667  """__str__(BrownianDynamics self) -> std::string"""
3668  return _IMP_atom.BrownianDynamics___str__(self)
3669 
3670 
3671  def __repr__(self):
3672  """__repr__(BrownianDynamics self) -> std::string"""
3673  return _IMP_atom.BrownianDynamics___repr__(self)
3674 
3675 
3676  @staticmethod
3677  def get_from(o):
3678  return _object_cast_to_BrownianDynamics(o)
3679 
3680 BrownianDynamics_swigregister = _IMP_atom.BrownianDynamics_swigregister
3681 BrownianDynamics_swigregister(BrownianDynamics)
3682 
3683 
3685  """get_maximum_time_step_estimate(BrownianDynamics bd) -> double"""
3686  return _IMP_atom.get_maximum_time_step_estimate(bd)
3687 
3688 def get_harmonic_sigma(D, f):
3689  """get_harmonic_sigma(double D, double f) -> double"""
3690  return _IMP_atom.get_harmonic_sigma(D, f)
3691 class BrownianDynamicsTAMD(BrownianDynamics):
3692  """Proxy of C++ IMP::atom::BrownianDynamicsTAMD class."""
3693 
3694  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3695 
3696  def __init__(self, *args):
3697  """
3698  __init__(IMP::atom::BrownianDynamicsTAMD self, Model m, std::string name, double wave_factor=1.0) -> BrownianDynamicsTAMD
3699  __init__(IMP::atom::BrownianDynamicsTAMD self, Model m, std::string name) -> BrownianDynamicsTAMD
3700  __init__(IMP::atom::BrownianDynamicsTAMD self, Model m) -> BrownianDynamicsTAMD
3701  """
3702  this = _IMP_atom.new_BrownianDynamicsTAMD(*args)
3703  try:
3704  self.this.append(this)
3705  except __builtin__.Exception:
3706  self.this = this
3707 
3708  def __str__(self):
3709  """__str__(BrownianDynamicsTAMD self) -> std::string"""
3710  return _IMP_atom.BrownianDynamicsTAMD___str__(self)
3711 
3712 
3713  def __repr__(self):
3714  """__repr__(BrownianDynamicsTAMD self) -> std::string"""
3715  return _IMP_atom.BrownianDynamicsTAMD___repr__(self)
3716 
3717 
3718  @staticmethod
3719  def get_from(o):
3720  return _object_cast_to_BrownianDynamicsTAMD(o)
3721 
3722  __swig_destroy__ = _IMP_atom.delete_BrownianDynamicsTAMD
3723  __del__ = lambda self: None
3724 BrownianDynamicsTAMD_swigregister = _IMP_atom.BrownianDynamicsTAMD_swigregister
3725 BrownianDynamicsTAMD_swigregister(BrownianDynamicsTAMD)
3726 
3727 class Diffusion(IMP.core.XYZ):
3728  """Proxy of C++ IMP::atom::Diffusion class."""
3729 
3730  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3731 
3732  def __init__(self, *args):
3733  """
3734  __init__(IMP::atom::Diffusion self) -> Diffusion
3735  __init__(IMP::atom::Diffusion self, Model m, ParticleIndex id) -> Diffusion
3736  __init__(IMP::atom::Diffusion self, _ParticleAdaptor d) -> Diffusion
3737  """
3738  this = _IMP_atom.new_Diffusion(*args)
3739  try:
3740  self.this.append(this)
3741  except __builtin__.Exception:
3742  self.this = this
3743 
3744  def show(self, *args):
3745  """
3746  show(Diffusion self, _ostream out)
3747  show(Diffusion self)
3748  """
3749  return _IMP_atom.Diffusion_show(self, *args)
3750 
3751 
3752  def setup_particle(*args):
3753  """
3754  setup_particle(Model m, ParticleIndex pi, IMP::Float D) -> Diffusion
3755  setup_particle(_ParticleAdaptor decorator, IMP::Float D) -> Diffusion
3756  setup_particle(Model m, ParticleIndex pi, Vector3D v, IMP::Float D) -> Diffusion
3757  setup_particle(_ParticleAdaptor decorator, Vector3D v, IMP::Float D) -> Diffusion
3758  setup_particle(Model m, ParticleIndex pi) -> Diffusion
3759  setup_particle(_ParticleAdaptor decorator) -> Diffusion
3760  """
3761  return _IMP_atom.Diffusion_setup_particle(*args)
3762 
3763  setup_particle = staticmethod(setup_particle)
3764 
3765  def get_is_setup(*args):
3766  """
3767  get_is_setup(_ParticleAdaptor p) -> bool
3768  get_is_setup(Model m, ParticleIndex p) -> bool
3769  """
3770  return _IMP_atom.Diffusion_get_is_setup(*args)
3771 
3772  get_is_setup = staticmethod(get_is_setup)
3773 
3774  def set_diffusion_coefficient(self, d):
3775  """set_diffusion_coefficient(Diffusion self, double d)"""
3776  return _IMP_atom.Diffusion_set_diffusion_coefficient(self, d)
3777 
3778 
3779  def get_diffusion_coefficient(self):
3780  """get_diffusion_coefficient(Diffusion self) -> double"""
3781  return _IMP_atom.Diffusion_get_diffusion_coefficient(self)
3782 
3783 
3784  def get_diffusion_coefficient_key():
3785  """get_diffusion_coefficient_key() -> FloatKey"""
3786  return _IMP_atom.Diffusion_get_diffusion_coefficient_key()
3787 
3788  get_diffusion_coefficient_key = staticmethod(get_diffusion_coefficient_key)
3789 
3790  def add_attribute(self, *args):
3791  """
3792  add_attribute(Diffusion self, FloatKey k, IMP::Float v, bool opt)
3793  add_attribute(Diffusion self, FloatKey a0, IMP::Float a1)
3794  add_attribute(Diffusion self, IntKey a0, IMP::Int a1)
3795  add_attribute(Diffusion self, StringKey a0, IMP::String a1)
3796  add_attribute(Diffusion self, ParticleIndexKey a0, Particle a1)
3797  add_attribute(Diffusion self, ObjectKey a0, Object a1)
3798  """
3799  return _IMP_atom.Diffusion_add_attribute(self, *args)
3800 
3801 
3802  def get_value(self, *args):
3803  """
3804  get_value(Diffusion self, FloatKey a0) -> IMP::Float
3805  get_value(Diffusion self, IntKey a0) -> IMP::Int
3806  get_value(Diffusion self, StringKey a0) -> IMP::String
3807  get_value(Diffusion self, ParticleIndexKey a0) -> Particle
3808  get_value(Diffusion self, ObjectKey a0) -> Object
3809  """
3810  return _IMP_atom.Diffusion_get_value(self, *args)
3811 
3812 
3813  def set_value(self, *args):
3814  """
3815  set_value(Diffusion self, FloatKey a0, IMP::Float a1)
3816  set_value(Diffusion self, IntKey a0, IMP::Int a1)
3817  set_value(Diffusion self, StringKey a0, IMP::String a1)
3818  set_value(Diffusion self, ParticleIndexKey a0, Particle a1)
3819  set_value(Diffusion self, ObjectKey a0, Object a1)
3820  """
3821  return _IMP_atom.Diffusion_set_value(self, *args)
3822 
3823 
3824  def remove_attribute(self, *args):
3825  """
3826  remove_attribute(Diffusion self, FloatKey a0)
3827  remove_attribute(Diffusion self, IntKey a0)
3828  remove_attribute(Diffusion self, StringKey a0)
3829  remove_attribute(Diffusion self, ParticleIndexKey a0)
3830  remove_attribute(Diffusion self, ObjectKey a0)
3831  """
3832  return _IMP_atom.Diffusion_remove_attribute(self, *args)
3833 
3834 
3835  def has_attribute(self, *args):
3836  """
3837  has_attribute(Diffusion self, FloatKey a0) -> bool
3838  has_attribute(Diffusion self, IntKey a0) -> bool
3839  has_attribute(Diffusion self, StringKey a0) -> bool
3840  has_attribute(Diffusion self, ParticleIndexKey a0) -> bool
3841  has_attribute(Diffusion self, ObjectKey a0) -> bool
3842  """
3843  return _IMP_atom.Diffusion_has_attribute(self, *args)
3844 
3845 
3846  def get_derivative(self, a0):
3847  """get_derivative(Diffusion self, FloatKey a0) -> double"""
3848  return _IMP_atom.Diffusion_get_derivative(self, a0)
3849 
3850 
3851  def get_name(self):
3852  """get_name(Diffusion self) -> std::string"""
3853  return _IMP_atom.Diffusion_get_name(self)
3854 
3855 
3856  def clear_caches(self):
3857  """clear_caches(Diffusion self)"""
3858  return _IMP_atom.Diffusion_clear_caches(self)
3859 
3860 
3861  def set_name(self, a0):
3862  """set_name(Diffusion self, std::string a0)"""
3863  return _IMP_atom.Diffusion_set_name(self, a0)
3864 
3865 
3866  def set_check_level(self, a0):
3867  """set_check_level(Diffusion self, IMP::CheckLevel a0)"""
3868  return _IMP_atom.Diffusion_set_check_level(self, a0)
3869 
3870 
3871  def add_to_derivative(self, a0, a1, a2):
3872  """add_to_derivative(Diffusion self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3873  return _IMP_atom.Diffusion_add_to_derivative(self, a0, a1, a2)
3874 
3875 
3876  def set_is_optimized(self, a0, a1):
3877  """set_is_optimized(Diffusion self, FloatKey a0, bool a1)"""
3878  return _IMP_atom.Diffusion_set_is_optimized(self, a0, a1)
3879 
3880 
3881  def get_is_optimized(self, a0):
3882  """get_is_optimized(Diffusion self, FloatKey a0) -> bool"""
3883  return _IMP_atom.Diffusion_get_is_optimized(self, a0)
3884 
3885 
3886  def get_check_level(self):
3887  """get_check_level(Diffusion self) -> IMP::CheckLevel"""
3888  return _IMP_atom.Diffusion_get_check_level(self)
3889 
3890 
3891  def __eq__(self, *args):
3892  """
3893  __eq__(Diffusion self, Diffusion o) -> bool
3894  __eq__(Diffusion self, Particle d) -> bool
3895  """
3896  return _IMP_atom.Diffusion___eq__(self, *args)
3897 
3898 
3899  def __ne__(self, *args):
3900  """
3901  __ne__(Diffusion self, Diffusion o) -> bool
3902  __ne__(Diffusion self, Particle d) -> bool
3903  """
3904  return _IMP_atom.Diffusion___ne__(self, *args)
3905 
3906 
3907  def __le__(self, *args):
3908  """
3909  __le__(Diffusion self, Diffusion o) -> bool
3910  __le__(Diffusion self, Particle d) -> bool
3911  """
3912  return _IMP_atom.Diffusion___le__(self, *args)
3913 
3914 
3915  def __lt__(self, *args):
3916  """
3917  __lt__(Diffusion self, Diffusion o) -> bool
3918  __lt__(Diffusion self, Particle d) -> bool
3919  """
3920  return _IMP_atom.Diffusion___lt__(self, *args)
3921 
3922 
3923  def __ge__(self, *args):
3924  """
3925  __ge__(Diffusion self, Diffusion o) -> bool
3926  __ge__(Diffusion self, Particle d) -> bool
3927  """
3928  return _IMP_atom.Diffusion___ge__(self, *args)
3929 
3930 
3931  def __gt__(self, *args):
3932  """
3933  __gt__(Diffusion self, Diffusion o) -> bool
3934  __gt__(Diffusion self, Particle d) -> bool
3935  """
3936  return _IMP_atom.Diffusion___gt__(self, *args)
3937 
3938 
3939  def __hash__(self):
3940  """__hash__(Diffusion self) -> std::size_t"""
3941  return _IMP_atom.Diffusion___hash__(self)
3942 
3943 
3944  def __str__(self):
3945  """__str__(Diffusion self) -> std::string"""
3946  return _IMP_atom.Diffusion___str__(self)
3947 
3948 
3949  def __repr__(self):
3950  """__repr__(Diffusion self) -> std::string"""
3951  return _IMP_atom.Diffusion___repr__(self)
3952 
3953  __swig_destroy__ = _IMP_atom.delete_Diffusion
3954  __del__ = lambda self: None
3955 Diffusion_swigregister = _IMP_atom.Diffusion_swigregister
3956 Diffusion_swigregister(Diffusion)
3957 
3958 def Diffusion_setup_particle(*args):
3959  """
3960  setup_particle(Model m, ParticleIndex pi, IMP::Float D) -> Diffusion
3961  setup_particle(_ParticleAdaptor decorator, IMP::Float D) -> Diffusion
3962  setup_particle(Model m, ParticleIndex pi, Vector3D v, IMP::Float D) -> Diffusion
3963  setup_particle(_ParticleAdaptor decorator, Vector3D v, IMP::Float D) -> Diffusion
3964  setup_particle(Model m, ParticleIndex pi) -> Diffusion
3965  Diffusion_setup_particle(_ParticleAdaptor decorator) -> Diffusion
3966  """
3967  return _IMP_atom.Diffusion_setup_particle(*args)
3968 
3969 def Diffusion_get_is_setup(*args):
3970  """
3971  get_is_setup(_ParticleAdaptor p) -> bool
3972  Diffusion_get_is_setup(Model m, ParticleIndex p) -> bool
3973  """
3974  return _IMP_atom.Diffusion_get_is_setup(*args)
3975 
3976 def Diffusion_get_diffusion_coefficient_key():
3977  """Diffusion_get_diffusion_coefficient_key() -> FloatKey"""
3978  return _IMP_atom.Diffusion_get_diffusion_coefficient_key()
3979 
3980 
3981 def get_diffusion_coefficient_from_cm2_per_second(din):
3982  """get_diffusion_coefficient_from_cm2_per_second(double din) -> double"""
3983  return _IMP_atom.get_diffusion_coefficient_from_cm2_per_second(din)
3984 class RigidBodyDiffusion(Diffusion):
3985  """Proxy of C++ IMP::atom::RigidBodyDiffusion class."""
3986 
3987  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3988 
3989  def __init__(self, *args):
3990  """
3991  __init__(IMP::atom::RigidBodyDiffusion self) -> RigidBodyDiffusion
3992  __init__(IMP::atom::RigidBodyDiffusion self, Model m, ParticleIndex id) -> RigidBodyDiffusion
3993  __init__(IMP::atom::RigidBodyDiffusion self, _ParticleAdaptor d) -> RigidBodyDiffusion
3994  """
3995  this = _IMP_atom.new_RigidBodyDiffusion(*args)
3996  try:
3997  self.this.append(this)
3998  except __builtin__.Exception:
3999  self.this = this
4000 
4001  def show(self, *args):
4002  """
4003  show(RigidBodyDiffusion self, _ostream out)
4004  show(RigidBodyDiffusion self)
4005  """
4006  return _IMP_atom.RigidBodyDiffusion_show(self, *args)
4007 
4008 
4009  def setup_particle(*args):
4010  """
4011  setup_particle(Model m, ParticleIndex pi) -> RigidBodyDiffusion
4012  setup_particle(_ParticleAdaptor decorator) -> RigidBodyDiffusion
4013  """
4014  return _IMP_atom.RigidBodyDiffusion_setup_particle(*args)
4015 
4016  setup_particle = staticmethod(setup_particle)
4017 
4019  """get_rotational_diffusion_coefficient(RigidBodyDiffusion self) -> double"""
4020  return _IMP_atom.RigidBodyDiffusion_get_rotational_diffusion_coefficient(self)
4021 
4022 
4023  def set_rotational_diffusion_coefficient(self, d):
4024  """set_rotational_diffusion_coefficient(RigidBodyDiffusion self, double d)"""
4025  return _IMP_atom.RigidBodyDiffusion_set_rotational_diffusion_coefficient(self, d)
4026 
4027 
4028  def get_is_setup(*args):
4029  """
4030  get_is_setup(_ParticleAdaptor p) -> bool
4031  get_is_setup(Model m, ParticleIndex p) -> bool
4032  """
4033  return _IMP_atom.RigidBodyDiffusion_get_is_setup(*args)
4034 
4035  get_is_setup = staticmethod(get_is_setup)
4036 
4037  def get_rotational_diffusion_coefficient_key():
4038  """get_rotational_diffusion_coefficient_key() -> FloatKey"""
4039  return _IMP_atom.RigidBodyDiffusion_get_rotational_diffusion_coefficient_key()
4040 
4041  get_rotational_diffusion_coefficient_key = staticmethod(get_rotational_diffusion_coefficient_key)
4042 
4043  def add_attribute(self, *args):
4044  """
4045  add_attribute(RigidBodyDiffusion self, FloatKey k, IMP::Float v, bool opt)
4046  add_attribute(RigidBodyDiffusion self, FloatKey a0, IMP::Float a1)
4047  add_attribute(RigidBodyDiffusion self, IntKey a0, IMP::Int a1)
4048  add_attribute(RigidBodyDiffusion self, StringKey a0, IMP::String a1)
4049  add_attribute(RigidBodyDiffusion self, ParticleIndexKey a0, Particle a1)
4050  add_attribute(RigidBodyDiffusion self, ObjectKey a0, Object a1)
4051  """
4052  return _IMP_atom.RigidBodyDiffusion_add_attribute(self, *args)
4053 
4054 
4055  def get_value(self, *args):
4056  """
4057  get_value(RigidBodyDiffusion self, FloatKey a0) -> IMP::Float
4058  get_value(RigidBodyDiffusion self, IntKey a0) -> IMP::Int
4059  get_value(RigidBodyDiffusion self, StringKey a0) -> IMP::String
4060  get_value(RigidBodyDiffusion self, ParticleIndexKey a0) -> Particle
4061  get_value(RigidBodyDiffusion self, ObjectKey a0) -> Object
4062  """
4063  return _IMP_atom.RigidBodyDiffusion_get_value(self, *args)
4064 
4065 
4066  def set_value(self, *args):
4067  """
4068  set_value(RigidBodyDiffusion self, FloatKey a0, IMP::Float a1)
4069  set_value(RigidBodyDiffusion self, IntKey a0, IMP::Int a1)
4070  set_value(RigidBodyDiffusion self, StringKey a0, IMP::String a1)
4071  set_value(RigidBodyDiffusion self, ParticleIndexKey a0, Particle a1)
4072  set_value(RigidBodyDiffusion self, ObjectKey a0, Object a1)
4073  """
4074  return _IMP_atom.RigidBodyDiffusion_set_value(self, *args)
4075 
4076 
4077  def remove_attribute(self, *args):
4078  """
4079  remove_attribute(RigidBodyDiffusion self, FloatKey a0)
4080  remove_attribute(RigidBodyDiffusion self, IntKey a0)
4081  remove_attribute(RigidBodyDiffusion self, StringKey a0)
4082  remove_attribute(RigidBodyDiffusion self, ParticleIndexKey a0)
4083  remove_attribute(RigidBodyDiffusion self, ObjectKey a0)
4084  """
4085  return _IMP_atom.RigidBodyDiffusion_remove_attribute(self, *args)
4086 
4087 
4088  def has_attribute(self, *args):
4089  """
4090  has_attribute(RigidBodyDiffusion self, FloatKey a0) -> bool
4091  has_attribute(RigidBodyDiffusion self, IntKey a0) -> bool
4092  has_attribute(RigidBodyDiffusion self, StringKey a0) -> bool
4093  has_attribute(RigidBodyDiffusion self, ParticleIndexKey a0) -> bool
4094  has_attribute(RigidBodyDiffusion self, ObjectKey a0) -> bool
4095  """
4096  return _IMP_atom.RigidBodyDiffusion_has_attribute(self, *args)
4097 
4098 
4099  def get_derivative(self, a0):
4100  """get_derivative(RigidBodyDiffusion self, FloatKey a0) -> double"""
4101  return _IMP_atom.RigidBodyDiffusion_get_derivative(self, a0)
4102 
4103 
4104  def get_name(self):
4105  """get_name(RigidBodyDiffusion self) -> std::string"""
4106  return _IMP_atom.RigidBodyDiffusion_get_name(self)
4107 
4108 
4109  def clear_caches(self):
4110  """clear_caches(RigidBodyDiffusion self)"""
4111  return _IMP_atom.RigidBodyDiffusion_clear_caches(self)
4112 
4113 
4114  def set_name(self, a0):
4115  """set_name(RigidBodyDiffusion self, std::string a0)"""
4116  return _IMP_atom.RigidBodyDiffusion_set_name(self, a0)
4117 
4118 
4119  def set_check_level(self, a0):
4120  """set_check_level(RigidBodyDiffusion self, IMP::CheckLevel a0)"""
4121  return _IMP_atom.RigidBodyDiffusion_set_check_level(self, a0)
4122 
4123 
4124  def add_to_derivative(self, a0, a1, a2):
4125  """add_to_derivative(RigidBodyDiffusion self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4126  return _IMP_atom.RigidBodyDiffusion_add_to_derivative(self, a0, a1, a2)
4127 
4128 
4129  def set_is_optimized(self, a0, a1):
4130  """set_is_optimized(RigidBodyDiffusion self, FloatKey a0, bool a1)"""
4131  return _IMP_atom.RigidBodyDiffusion_set_is_optimized(self, a0, a1)
4132 
4133 
4134  def get_is_optimized(self, a0):
4135  """get_is_optimized(RigidBodyDiffusion self, FloatKey a0) -> bool"""
4136  return _IMP_atom.RigidBodyDiffusion_get_is_optimized(self, a0)
4137 
4138 
4139  def get_check_level(self):
4140  """get_check_level(RigidBodyDiffusion self) -> IMP::CheckLevel"""
4141  return _IMP_atom.RigidBodyDiffusion_get_check_level(self)
4142 
4143 
4144  def __eq__(self, *args):
4145  """
4146  __eq__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
4147  __eq__(RigidBodyDiffusion self, Particle d) -> bool
4148  """
4149  return _IMP_atom.RigidBodyDiffusion___eq__(self, *args)
4150 
4151 
4152  def __ne__(self, *args):
4153  """
4154  __ne__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
4155  __ne__(RigidBodyDiffusion self, Particle d) -> bool
4156  """
4157  return _IMP_atom.RigidBodyDiffusion___ne__(self, *args)
4158 
4159 
4160  def __le__(self, *args):
4161  """
4162  __le__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
4163  __le__(RigidBodyDiffusion self, Particle d) -> bool
4164  """
4165  return _IMP_atom.RigidBodyDiffusion___le__(self, *args)
4166 
4167 
4168  def __lt__(self, *args):
4169  """
4170  __lt__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
4171  __lt__(RigidBodyDiffusion self, Particle d) -> bool
4172  """
4173  return _IMP_atom.RigidBodyDiffusion___lt__(self, *args)
4174 
4175 
4176  def __ge__(self, *args):
4177  """
4178  __ge__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
4179  __ge__(RigidBodyDiffusion self, Particle d) -> bool
4180  """
4181  return _IMP_atom.RigidBodyDiffusion___ge__(self, *args)
4182 
4183 
4184  def __gt__(self, *args):
4185  """
4186  __gt__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
4187  __gt__(RigidBodyDiffusion self, Particle d) -> bool
4188  """
4189  return _IMP_atom.RigidBodyDiffusion___gt__(self, *args)
4190 
4191 
4192  def __hash__(self):
4193  """__hash__(RigidBodyDiffusion self) -> std::size_t"""
4194  return _IMP_atom.RigidBodyDiffusion___hash__(self)
4195 
4196 
4197  def __str__(self):
4198  """__str__(RigidBodyDiffusion self) -> std::string"""
4199  return _IMP_atom.RigidBodyDiffusion___str__(self)
4200 
4201 
4202  def __repr__(self):
4203  """__repr__(RigidBodyDiffusion self) -> std::string"""
4204  return _IMP_atom.RigidBodyDiffusion___repr__(self)
4205 
4206  __swig_destroy__ = _IMP_atom.delete_RigidBodyDiffusion
4207  __del__ = lambda self: None
4208 RigidBodyDiffusion_swigregister = _IMP_atom.RigidBodyDiffusion_swigregister
4209 RigidBodyDiffusion_swigregister(RigidBodyDiffusion)
4210 
4211 def RigidBodyDiffusion_setup_particle(*args):
4212  """
4213  setup_particle(Model m, ParticleIndex pi) -> RigidBodyDiffusion
4214  RigidBodyDiffusion_setup_particle(_ParticleAdaptor decorator) -> RigidBodyDiffusion
4215  """
4216  return _IMP_atom.RigidBodyDiffusion_setup_particle(*args)
4217 
4218 def RigidBodyDiffusion_get_is_setup(*args):
4219  """
4220  get_is_setup(_ParticleAdaptor p) -> bool
4221  RigidBodyDiffusion_get_is_setup(Model m, ParticleIndex p) -> bool
4222  """
4223  return _IMP_atom.RigidBodyDiffusion_get_is_setup(*args)
4224 
4225 def RigidBodyDiffusion_get_rotational_diffusion_coefficient_key():
4226  """RigidBodyDiffusion_get_rotational_diffusion_coefficient_key() -> FloatKey"""
4227  return _IMP_atom.RigidBodyDiffusion_get_rotational_diffusion_coefficient_key()
4228 
4229 class TAMDParticle(IMP.Decorator):
4230  """Proxy of C++ IMP::atom::TAMDParticle class."""
4231 
4232  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
4233 
4234  def __init__(self, *args):
4235  """
4236  __init__(IMP::atom::TAMDParticle self) -> TAMDParticle
4237  __init__(IMP::atom::TAMDParticle self, Model m, ParticleIndex id) -> TAMDParticle
4238  __init__(IMP::atom::TAMDParticle self, _ParticleAdaptor d) -> TAMDParticle
4239  """
4240  this = _IMP_atom.new_TAMDParticle(*args)
4241  try:
4242  self.this.append(this)
4243  except __builtin__.Exception:
4244  self.this = this
4245 
4246  def show(self, *args):
4247  """
4248  show(TAMDParticle self, _ostream out)
4249  show(TAMDParticle self)
4250  """
4251  return _IMP_atom.TAMDParticle_show(self, *args)
4252 
4253 
4254  def setup_particle(*args):
4255  """
4256  setup_particle(Model m, ParticleIndex pi, ParticleIndex pi_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4257  setup_particle(_ParticleAdaptor decorator, ParticleIndex pi_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4258  setup_particle(Model m, ParticleIndex pi, Particle p_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4259  setup_particle(_ParticleAdaptor decorator, Particle p_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4260  """
4261  return _IMP_atom.TAMDParticle_setup_particle(*args)
4262 
4263  setup_particle = staticmethod(setup_particle)
4264 
4265  def get_is_setup(*args):
4266  """
4267  get_is_setup(_ParticleAdaptor p) -> bool
4268  get_is_setup(Model m, ParticleIndex p) -> bool
4269  """
4270  return _IMP_atom.TAMDParticle_get_is_setup(*args)
4271 
4272  get_is_setup = staticmethod(get_is_setup)
4273 
4274  def get_reference_particle_index(self):
4275  """get_reference_particle_index(TAMDParticle self) -> ParticleIndex"""
4276  return _IMP_atom.TAMDParticle_get_reference_particle_index(self)
4277 
4278 
4279  def set_temperature_scale_factor(self, tsf):
4280  """set_temperature_scale_factor(TAMDParticle self, float tsf)"""
4281  return _IMP_atom.TAMDParticle_set_temperature_scale_factor(self, tsf)
4282 
4283 
4284  def get_temperature_scale_factor(self):
4285  """get_temperature_scale_factor(TAMDParticle self) -> double"""
4286  return _IMP_atom.TAMDParticle_get_temperature_scale_factor(self)
4287 
4288 
4289  def set_friction_scale_factor(self, tsf):
4290  """set_friction_scale_factor(TAMDParticle self, float tsf)"""
4291  return _IMP_atom.TAMDParticle_set_friction_scale_factor(self, tsf)
4292 
4293 
4294  def get_friction_scale_factor(self):
4295  """get_friction_scale_factor(TAMDParticle self) -> double"""
4296  return _IMP_atom.TAMDParticle_get_friction_scale_factor(self)
4297 
4298 
4299  def update_coordinates_from_ref(self):
4300  """update_coordinates_from_ref(TAMDParticle self)"""
4301  return _IMP_atom.TAMDParticle_update_coordinates_from_ref(self)
4302 
4303 
4304  def get_temperature_scale_factor_key():
4305  """get_temperature_scale_factor_key() -> FloatKey"""
4306  return _IMP_atom.TAMDParticle_get_temperature_scale_factor_key()
4307 
4308  get_temperature_scale_factor_key = staticmethod(get_temperature_scale_factor_key)
4309 
4310  def get_friction_scale_factor_key():
4311  """get_friction_scale_factor_key() -> FloatKey"""
4312  return _IMP_atom.TAMDParticle_get_friction_scale_factor_key()
4313 
4314  get_friction_scale_factor_key = staticmethod(get_friction_scale_factor_key)
4315 
4316  def get_reference_particle_index_key():
4317  """get_reference_particle_index_key() -> ParticleIndexKey"""
4318  return _IMP_atom.TAMDParticle_get_reference_particle_index_key()
4319 
4320  get_reference_particle_index_key = staticmethod(get_reference_particle_index_key)
4321 
4322  def add_attribute(self, *args):
4323  """
4324  add_attribute(TAMDParticle self, FloatKey k, IMP::Float v, bool opt)
4325  add_attribute(TAMDParticle self, FloatKey a0, IMP::Float a1)
4326  add_attribute(TAMDParticle self, IntKey a0, IMP::Int a1)
4327  add_attribute(TAMDParticle self, StringKey a0, IMP::String a1)
4328  add_attribute(TAMDParticle self, ParticleIndexKey a0, Particle a1)
4329  add_attribute(TAMDParticle self, ObjectKey a0, Object a1)
4330  """
4331  return _IMP_atom.TAMDParticle_add_attribute(self, *args)
4332 
4333 
4334  def get_value(self, *args):
4335  """
4336  get_value(TAMDParticle self, FloatKey a0) -> IMP::Float
4337  get_value(TAMDParticle self, IntKey a0) -> IMP::Int
4338  get_value(TAMDParticle self, StringKey a0) -> IMP::String
4339  get_value(TAMDParticle self, ParticleIndexKey a0) -> Particle
4340  get_value(TAMDParticle self, ObjectKey a0) -> Object
4341  """
4342  return _IMP_atom.TAMDParticle_get_value(self, *args)
4343 
4344 
4345  def set_value(self, *args):
4346  """
4347  set_value(TAMDParticle self, FloatKey a0, IMP::Float a1)
4348  set_value(TAMDParticle self, IntKey a0, IMP::Int a1)
4349  set_value(TAMDParticle self, StringKey a0, IMP::String a1)
4350  set_value(TAMDParticle self, ParticleIndexKey a0, Particle a1)
4351  set_value(TAMDParticle self, ObjectKey a0, Object a1)
4352  """
4353  return _IMP_atom.TAMDParticle_set_value(self, *args)
4354 
4355 
4356  def remove_attribute(self, *args):
4357  """
4358  remove_attribute(TAMDParticle self, FloatKey a0)
4359  remove_attribute(TAMDParticle self, IntKey a0)
4360  remove_attribute(TAMDParticle self, StringKey a0)
4361  remove_attribute(TAMDParticle self, ParticleIndexKey a0)
4362  remove_attribute(TAMDParticle self, ObjectKey a0)
4363  """
4364  return _IMP_atom.TAMDParticle_remove_attribute(self, *args)
4365 
4366 
4367  def has_attribute(self, *args):
4368  """
4369  has_attribute(TAMDParticle self, FloatKey a0) -> bool
4370  has_attribute(TAMDParticle self, IntKey a0) -> bool
4371  has_attribute(TAMDParticle self, StringKey a0) -> bool
4372  has_attribute(TAMDParticle self, ParticleIndexKey a0) -> bool
4373  has_attribute(TAMDParticle self, ObjectKey a0) -> bool
4374  """
4375  return _IMP_atom.TAMDParticle_has_attribute(self, *args)
4376 
4377 
4378  def get_derivative(self, a0):
4379  """get_derivative(TAMDParticle self, FloatKey a0) -> double"""
4380  return _IMP_atom.TAMDParticle_get_derivative(self, a0)
4381 
4382 
4383  def get_name(self):
4384  """get_name(TAMDParticle self) -> std::string"""
4385  return _IMP_atom.TAMDParticle_get_name(self)
4386 
4387 
4388  def clear_caches(self):
4389  """clear_caches(TAMDParticle self)"""
4390  return _IMP_atom.TAMDParticle_clear_caches(self)
4391 
4392 
4393  def set_name(self, a0):
4394  """set_name(TAMDParticle self, std::string a0)"""
4395  return _IMP_atom.TAMDParticle_set_name(self, a0)
4396 
4397 
4398  def set_check_level(self, a0):
4399  """set_check_level(TAMDParticle self, IMP::CheckLevel a0)"""
4400  return _IMP_atom.TAMDParticle_set_check_level(self, a0)
4401 
4402 
4403  def add_to_derivative(self, a0, a1, a2):
4404  """add_to_derivative(TAMDParticle self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4405  return _IMP_atom.TAMDParticle_add_to_derivative(self, a0, a1, a2)
4406 
4407 
4408  def set_is_optimized(self, a0, a1):
4409  """set_is_optimized(TAMDParticle self, FloatKey a0, bool a1)"""
4410  return _IMP_atom.TAMDParticle_set_is_optimized(self, a0, a1)
4411 
4412 
4413  def get_is_optimized(self, a0):
4414  """get_is_optimized(TAMDParticle self, FloatKey a0) -> bool"""
4415  return _IMP_atom.TAMDParticle_get_is_optimized(self, a0)
4416 
4417 
4418  def get_check_level(self):
4419  """get_check_level(TAMDParticle self) -> IMP::CheckLevel"""
4420  return _IMP_atom.TAMDParticle_get_check_level(self)
4421 
4422 
4423  def __eq__(self, *args):
4424  """
4425  __eq__(TAMDParticle self, TAMDParticle o) -> bool
4426  __eq__(TAMDParticle self, Particle d) -> bool
4427  """
4428  return _IMP_atom.TAMDParticle___eq__(self, *args)
4429 
4430 
4431  def __ne__(self, *args):
4432  """
4433  __ne__(TAMDParticle self, TAMDParticle o) -> bool
4434  __ne__(TAMDParticle self, Particle d) -> bool
4435  """
4436  return _IMP_atom.TAMDParticle___ne__(self, *args)
4437 
4438 
4439  def __le__(self, *args):
4440  """
4441  __le__(TAMDParticle self, TAMDParticle o) -> bool
4442  __le__(TAMDParticle self, Particle d) -> bool
4443  """
4444  return _IMP_atom.TAMDParticle___le__(self, *args)
4445 
4446 
4447  def __lt__(self, *args):
4448  """
4449  __lt__(TAMDParticle self, TAMDParticle o) -> bool
4450  __lt__(TAMDParticle self, Particle d) -> bool
4451  """
4452  return _IMP_atom.TAMDParticle___lt__(self, *args)
4453 
4454 
4455  def __ge__(self, *args):
4456  """
4457  __ge__(TAMDParticle self, TAMDParticle o) -> bool
4458  __ge__(TAMDParticle self, Particle d) -> bool
4459  """
4460  return _IMP_atom.TAMDParticle___ge__(self, *args)
4461 
4462 
4463  def __gt__(self, *args):
4464  """
4465  __gt__(TAMDParticle self, TAMDParticle o) -> bool
4466  __gt__(TAMDParticle self, Particle d) -> bool
4467  """
4468  return _IMP_atom.TAMDParticle___gt__(self, *args)
4469 
4470 
4471  def __hash__(self):
4472  """__hash__(TAMDParticle self) -> std::size_t"""
4473  return _IMP_atom.TAMDParticle___hash__(self)
4474 
4475 
4476  def __str__(self):
4477  """__str__(TAMDParticle self) -> std::string"""
4478  return _IMP_atom.TAMDParticle___str__(self)
4479 
4480 
4481  def __repr__(self):
4482  """__repr__(TAMDParticle self) -> std::string"""
4483  return _IMP_atom.TAMDParticle___repr__(self)
4484 
4485  __swig_destroy__ = _IMP_atom.delete_TAMDParticle
4486  __del__ = lambda self: None
4487 TAMDParticle_swigregister = _IMP_atom.TAMDParticle_swigregister
4488 TAMDParticle_swigregister(TAMDParticle)
4489 
4490 def TAMDParticle_setup_particle(*args):
4491  """
4492  setup_particle(Model m, ParticleIndex pi, ParticleIndex pi_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4493  setup_particle(_ParticleAdaptor decorator, ParticleIndex pi_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4494  setup_particle(Model m, ParticleIndex pi, Particle p_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4495  TAMDParticle_setup_particle(_ParticleAdaptor decorator, Particle p_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4496  """
4497  return _IMP_atom.TAMDParticle_setup_particle(*args)
4498 
4499 def TAMDParticle_get_is_setup(*args):
4500  """
4501  get_is_setup(_ParticleAdaptor p) -> bool
4502  TAMDParticle_get_is_setup(Model m, ParticleIndex p) -> bool
4503  """
4504  return _IMP_atom.TAMDParticle_get_is_setup(*args)
4505 
4506 def TAMDParticle_get_temperature_scale_factor_key():
4507  """TAMDParticle_get_temperature_scale_factor_key() -> FloatKey"""
4508  return _IMP_atom.TAMDParticle_get_temperature_scale_factor_key()
4509 
4510 def TAMDParticle_get_friction_scale_factor_key():
4511  """TAMDParticle_get_friction_scale_factor_key() -> FloatKey"""
4512  return _IMP_atom.TAMDParticle_get_friction_scale_factor_key()
4513 
4514 def TAMDParticle_get_reference_particle_index_key():
4515  """TAMDParticle_get_reference_particle_index_key() -> ParticleIndexKey"""
4516  return _IMP_atom.TAMDParticle_get_reference_particle_index_key()
4517 
4518 class Chain(Hierarchy):
4519  """Proxy of C++ IMP::atom::Chain class."""
4520 
4521  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
4522 
4523  def __init__(self, *args):
4524  """
4525  __init__(IMP::atom::Chain self) -> Chain
4526  __init__(IMP::atom::Chain self, Model m, ParticleIndex id) -> Chain
4527  __init__(IMP::atom::Chain self, _ParticleAdaptor d) -> Chain
4528  """
4529  this = _IMP_atom.new_Chain(*args)
4530  try:
4531  self.this.append(this)
4532  except __builtin__.Exception:
4533  self.this = this
4534 
4535  def show(self, *args):
4536  """
4537  show(Chain self, _ostream out)
4538  show(Chain self)
4539  """
4540  return _IMP_atom.Chain_show(self, *args)
4541 
4542 
4543  def setup_particle(*args):
4544  """
4545  setup_particle(Model m, ParticleIndex pi, std::string id) -> Chain
4546  setup_particle(_ParticleAdaptor decorator, std::string id) -> Chain
4547  setup_particle(Model m, ParticleIndex pi, char id) -> Chain
4548  setup_particle(_ParticleAdaptor decorator, char id) -> Chain
4549  setup_particle(Model m, ParticleIndex pi, Chain other) -> Chain
4550  setup_particle(_ParticleAdaptor decorator, Chain other) -> Chain
4551  """
4552  return _IMP_atom.Chain_setup_particle(*args)
4553 
4554  setup_particle = staticmethod(setup_particle)
4555 
4556  def get_is_setup(*args):
4557  """
4558  get_is_setup(_ParticleAdaptor p) -> bool
4559  get_is_setup(Model m, ParticleIndex pi) -> bool
4560  """
4561  return _IMP_atom.Chain_get_is_setup(*args)
4562 
4563  get_is_setup = staticmethod(get_is_setup)
4564 
4565  def get_id(self):
4566  """get_id(Chain self) -> std::string"""
4567  return _IMP_atom.Chain_get_id(self)
4568 
4569 
4570  def set_id(self, c):
4571  """set_id(Chain self, std::string c)"""
4572  return _IMP_atom.Chain_set_id(self, c)
4573 
4574 
4575  def get_sequence(self):
4576  """get_sequence(Chain self) -> std::string"""
4577  return _IMP_atom.Chain_get_sequence(self)
4578 
4579 
4580  def set_sequence(self, sequence):
4581  """set_sequence(Chain self, std::string sequence)"""
4582  return _IMP_atom.Chain_set_sequence(self, sequence)
4583 
4584 
4585  def get_chain_type(self):
4586  """get_chain_type(Chain self) -> ChainType"""
4587  return _IMP_atom.Chain_get_chain_type(self)
4588 
4589 
4590  def set_chain_type(self, t):
4591  """set_chain_type(Chain self, ChainType t)"""
4592  return _IMP_atom.Chain_set_chain_type(self, t)
4593 
4594 
4595  def get_id_key():
4596  """get_id_key() -> StringKey"""
4597  return _IMP_atom.Chain_get_id_key()
4598 
4599  get_id_key = staticmethod(get_id_key)
4600 
4601  def get_sequence_key():
4602  """get_sequence_key() -> StringKey"""
4603  return _IMP_atom.Chain_get_sequence_key()
4604 
4605  get_sequence_key = staticmethod(get_sequence_key)
4606 
4607  def get_chain_type_key():
4608  """get_chain_type_key() -> IntKey"""
4609  return _IMP_atom.Chain_get_chain_type_key()
4610 
4611  get_chain_type_key = staticmethod(get_chain_type_key)
4612 
4613  def add_attribute(self, *args):
4614  """
4615  add_attribute(Chain self, FloatKey k, IMP::Float v, bool opt)
4616  add_attribute(Chain self, FloatKey a0, IMP::Float a1)
4617  add_attribute(Chain self, IntKey a0, IMP::Int a1)
4618  add_attribute(Chain self, StringKey a0, IMP::String a1)
4619  add_attribute(Chain self, ParticleIndexKey a0, Particle a1)
4620  add_attribute(Chain self, ObjectKey a0, Object a1)
4621  """
4622  return _IMP_atom.Chain_add_attribute(self, *args)
4623 
4624 
4625  def get_value(self, *args):
4626  """
4627  get_value(Chain self, FloatKey a0) -> IMP::Float
4628  get_value(Chain self, IntKey a0) -> IMP::Int
4629  get_value(Chain self, StringKey a0) -> IMP::String
4630  get_value(Chain self, ParticleIndexKey a0) -> Particle
4631  get_value(Chain self, ObjectKey a0) -> Object
4632  """
4633  return _IMP_atom.Chain_get_value(self, *args)
4634 
4635 
4636  def set_value(self, *args):
4637  """
4638  set_value(Chain self, FloatKey a0, IMP::Float a1)
4639  set_value(Chain self, IntKey a0, IMP::Int a1)
4640  set_value(Chain self, StringKey a0, IMP::String a1)
4641  set_value(Chain self, ParticleIndexKey a0, Particle a1)
4642  set_value(Chain self, ObjectKey a0, Object a1)
4643  """
4644  return _IMP_atom.Chain_set_value(self, *args)
4645 
4646 
4647  def remove_attribute(self, *args):
4648  """
4649  remove_attribute(Chain self, FloatKey a0)
4650  remove_attribute(Chain self, IntKey a0)
4651  remove_attribute(Chain self, StringKey a0)
4652  remove_attribute(Chain self, ParticleIndexKey a0)
4653  remove_attribute(Chain self, ObjectKey a0)
4654  """
4655  return _IMP_atom.Chain_remove_attribute(self, *args)
4656 
4657 
4658  def has_attribute(self, *args):
4659  """
4660  has_attribute(Chain self, FloatKey a0) -> bool
4661  has_attribute(Chain self, IntKey a0) -> bool
4662  has_attribute(Chain self, StringKey a0) -> bool
4663  has_attribute(Chain self, ParticleIndexKey a0) -> bool
4664  has_attribute(Chain self, ObjectKey a0) -> bool
4665  """
4666  return _IMP_atom.Chain_has_attribute(self, *args)
4667 
4668 
4669  def get_derivative(self, a0):
4670  """get_derivative(Chain self, FloatKey a0) -> double"""
4671  return _IMP_atom.Chain_get_derivative(self, a0)
4672 
4673 
4674  def get_name(self):
4675  """get_name(Chain self) -> std::string"""
4676  return _IMP_atom.Chain_get_name(self)
4677 
4678 
4679  def clear_caches(self):
4680  """clear_caches(Chain self)"""
4681  return _IMP_atom.Chain_clear_caches(self)
4682 
4683 
4684  def set_name(self, a0):
4685  """set_name(Chain self, std::string a0)"""
4686  return _IMP_atom.Chain_set_name(self, a0)
4687 
4688 
4689  def set_check_level(self, a0):
4690  """set_check_level(Chain self, IMP::CheckLevel a0)"""
4691  return _IMP_atom.Chain_set_check_level(self, a0)
4692 
4693 
4694  def add_to_derivative(self, a0, a1, a2):
4695  """add_to_derivative(Chain self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4696  return _IMP_atom.Chain_add_to_derivative(self, a0, a1, a2)
4697 
4698 
4699  def set_is_optimized(self, a0, a1):
4700  """set_is_optimized(Chain self, FloatKey a0, bool a1)"""
4701  return _IMP_atom.Chain_set_is_optimized(self, a0, a1)
4702 
4703 
4704  def get_is_optimized(self, a0):
4705  """get_is_optimized(Chain self, FloatKey a0) -> bool"""
4706  return _IMP_atom.Chain_get_is_optimized(self, a0)
4707 
4708 
4709  def get_check_level(self):
4710  """get_check_level(Chain self) -> IMP::CheckLevel"""
4711  return _IMP_atom.Chain_get_check_level(self)
4712 
4713 
4714  def __eq__(self, *args):
4715  """
4716  __eq__(Chain self, Chain o) -> bool
4717  __eq__(Chain self, Particle d) -> bool
4718  """
4719  return _IMP_atom.Chain___eq__(self, *args)
4720 
4721 
4722  def __ne__(self, *args):
4723  """
4724  __ne__(Chain self, Chain o) -> bool
4725  __ne__(Chain self, Particle d) -> bool
4726  """
4727  return _IMP_atom.Chain___ne__(self, *args)
4728 
4729 
4730  def __le__(self, *args):
4731  """
4732  __le__(Chain self, Chain o) -> bool
4733  __le__(Chain self, Particle d) -> bool
4734  """
4735  return _IMP_atom.Chain___le__(self, *args)
4736 
4737 
4738  def __lt__(self, *args):
4739  """
4740  __lt__(Chain self, Chain o) -> bool
4741  __lt__(Chain self, Particle d) -> bool
4742  """
4743  return _IMP_atom.Chain___lt__(self, *args)
4744 
4745 
4746  def __ge__(self, *args):
4747  """
4748  __ge__(Chain self, Chain o) -> bool
4749  __ge__(Chain self, Particle d) -> bool
4750  """
4751  return _IMP_atom.Chain___ge__(self, *args)
4752 
4753 
4754  def __gt__(self, *args):
4755  """
4756  __gt__(Chain self, Chain o) -> bool
4757  __gt__(Chain self, Particle d) -> bool
4758  """
4759  return _IMP_atom.Chain___gt__(self, *args)
4760 
4761 
4762  def __hash__(self):
4763  """__hash__(Chain self) -> std::size_t"""
4764  return _IMP_atom.Chain___hash__(self)
4765 
4766 
4767  def __str__(self):
4768  """__str__(Chain self) -> std::string"""
4769  return _IMP_atom.Chain___str__(self)
4770 
4771 
4772  def __repr__(self):
4773  """__repr__(Chain self) -> std::string"""
4774  return _IMP_atom.Chain___repr__(self)
4775 
4776  __swig_destroy__ = _IMP_atom.delete_Chain
4777  __del__ = lambda self: None
4778 Chain_swigregister = _IMP_atom.Chain_swigregister
4779 Chain_swigregister(Chain)
4780 cvar = _IMP_atom.cvar
4781 UnknownChainType = cvar.UnknownChainType
4782 DPolypeptide = cvar.DPolypeptide
4783 LPolypeptide = cvar.LPolypeptide
4784 Polydeoxyribonucleotide = cvar.Polydeoxyribonucleotide
4785 Polyribonucleotide = cvar.Polyribonucleotide
4786 DPolysaccharide = cvar.DPolysaccharide
4787 LPolysaccharide = cvar.LPolysaccharide
4788 Protein = cvar.Protein
4789 DNA = cvar.DNA
4790 RNA = cvar.RNA
4791 
4792 def Chain_setup_particle(*args):
4793  """
4794  setup_particle(Model m, ParticleIndex pi, std::string id) -> Chain
4795  setup_particle(_ParticleAdaptor decorator, std::string id) -> Chain
4796  setup_particle(Model m, ParticleIndex pi, char id) -> Chain
4797  setup_particle(_ParticleAdaptor decorator, char id) -> Chain
4798  setup_particle(Model m, ParticleIndex pi, Chain other) -> Chain
4799  Chain_setup_particle(_ParticleAdaptor decorator, Chain other) -> Chain
4800  """
4801  return _IMP_atom.Chain_setup_particle(*args)
4802 
4803 def Chain_get_is_setup(*args):
4804  """
4805  get_is_setup(_ParticleAdaptor p) -> bool
4806  Chain_get_is_setup(Model m, ParticleIndex pi) -> bool
4807  """
4808  return _IMP_atom.Chain_get_is_setup(*args)
4809 
4810 def Chain_get_id_key():
4811  """Chain_get_id_key() -> StringKey"""
4812  return _IMP_atom.Chain_get_id_key()
4813 
4814 def Chain_get_sequence_key():
4815  """Chain_get_sequence_key() -> StringKey"""
4816  return _IMP_atom.Chain_get_sequence_key()
4817 
4818 def Chain_get_chain_type_key():
4819  """Chain_get_chain_type_key() -> IntKey"""
4820  return _IMP_atom.Chain_get_chain_type_key()
4821 
4822 
4823 def get_chain(h):
4824  """get_chain(Hierarchy h) -> Chain"""
4825  return _IMP_atom.get_chain(h)
4826 
4827 def get_chain_id(h):
4828  """get_chain_id(Hierarchy h) -> std::string"""
4829  return _IMP_atom.get_chain_id(h)
4830 class Charged(IMP.core.XYZ):
4831  """Proxy of C++ IMP::atom::Charged class."""
4832 
4833  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
4834 
4835  def __init__(self, *args):
4836  """
4837  __init__(IMP::atom::Charged self) -> Charged
4838  __init__(IMP::atom::Charged self, Model m, ParticleIndex id) -> Charged
4839  __init__(IMP::atom::Charged self, _ParticleAdaptor d) -> Charged
4840  """
4841  this = _IMP_atom.new_Charged(*args)
4842  try:
4843  self.this.append(this)
4844  except __builtin__.Exception:
4845  self.this = this
4846 
4847  def show(self, *args):
4848  """
4849  show(Charged self, _ostream out)
4850  show(Charged self)
4851  """
4852  return _IMP_atom.Charged_show(self, *args)
4853 
4854 
4855  def setup_particle(*args):
4856  """
4857  setup_particle(Model m, ParticleIndex pi, IMP::Float charge) -> Charged
4858  setup_particle(_ParticleAdaptor decorator, IMP::Float charge) -> Charged
4859  setup_particle(Model m, ParticleIndex pi, Vector3D v, IMP::Float charge) -> Charged
4860  setup_particle(_ParticleAdaptor decorator, Vector3D v, IMP::Float charge) -> Charged
4861  """
4862  return _IMP_atom.Charged_setup_particle(*args)
4863 
4864  setup_particle = staticmethod(setup_particle)
4865 
4866  def get_charge(self):
4867  """get_charge(Charged self) -> IMP::Float"""
4868  return _IMP_atom.Charged_get_charge(self)
4869 
4870 
4871  def set_charge(self, t):
4872  """set_charge(Charged self, IMP::Float t)"""
4873  return _IMP_atom.Charged_set_charge(self, t)
4874 
4875 
4876  def get_is_setup(*args):
4877  """
4878  get_is_setup(_ParticleAdaptor p) -> bool
4879  get_is_setup(Model m, ParticleIndex pi) -> bool
4880  """
4881  return _IMP_atom.Charged_get_is_setup(*args)
4882 
4883  get_is_setup = staticmethod(get_is_setup)
4884 
4885  def get_charge_key():
4886  """get_charge_key() -> FloatKey"""
4887  return _IMP_atom.Charged_get_charge_key()
4888 
4889  get_charge_key = staticmethod(get_charge_key)
4890 
4891  def add_attribute(self, *args):
4892  """
4893  add_attribute(Charged self, FloatKey k, IMP::Float v, bool opt)
4894  add_attribute(Charged self, FloatKey a0, IMP::Float a1)
4895  add_attribute(Charged self, IntKey a0, IMP::Int a1)
4896  add_attribute(Charged self, StringKey a0, IMP::String a1)
4897  add_attribute(Charged self, ParticleIndexKey a0, Particle a1)
4898  add_attribute(Charged self, ObjectKey a0, Object a1)
4899  """
4900  return _IMP_atom.Charged_add_attribute(self, *args)
4901 
4902 
4903  def get_value(self, *args):
4904  """
4905  get_value(Charged self, FloatKey a0) -> IMP::Float
4906  get_value(Charged self, IntKey a0) -> IMP::Int
4907  get_value(Charged self, StringKey a0) -> IMP::String
4908  get_value(Charged self, ParticleIndexKey a0) -> Particle
4909  get_value(Charged self, ObjectKey a0) -> Object
4910  """
4911  return _IMP_atom.Charged_get_value(self, *args)
4912 
4913 
4914  def set_value(self, *args):
4915  """
4916  set_value(Charged self, FloatKey a0, IMP::Float a1)
4917  set_value(Charged self, IntKey a0, IMP::Int a1)
4918  set_value(Charged self, StringKey a0, IMP::String a1)
4919  set_value(Charged self, ParticleIndexKey a0, Particle a1)
4920  set_value(Charged self, ObjectKey a0, Object a1)
4921  """
4922  return _IMP_atom.Charged_set_value(self, *args)
4923 
4924 
4925  def remove_attribute(self, *args):
4926  """
4927  remove_attribute(Charged self, FloatKey a0)
4928  remove_attribute(Charged self, IntKey a0)
4929  remove_attribute(Charged self, StringKey a0)
4930  remove_attribute(Charged self, ParticleIndexKey a0)
4931  remove_attribute(Charged self, ObjectKey a0)
4932  """
4933  return _IMP_atom.Charged_remove_attribute(self, *args)
4934 
4935 
4936  def has_attribute(self, *args):
4937  """
4938  has_attribute(Charged self, FloatKey a0) -> bool
4939  has_attribute(Charged self, IntKey a0) -> bool
4940  has_attribute(Charged self, StringKey a0) -> bool
4941  has_attribute(Charged self, ParticleIndexKey a0) -> bool
4942  has_attribute(Charged self, ObjectKey a0) -> bool
4943  """
4944  return _IMP_atom.Charged_has_attribute(self, *args)
4945 
4946 
4947  def get_derivative(self, a0):
4948  """get_derivative(Charged self, FloatKey a0) -> double"""
4949  return _IMP_atom.Charged_get_derivative(self, a0)
4950 
4951 
4952  def get_name(self):
4953  """get_name(Charged self) -> std::string"""
4954  return _IMP_atom.Charged_get_name(self)
4955 
4956 
4957  def clear_caches(self):
4958  """clear_caches(Charged self)"""
4959  return _IMP_atom.Charged_clear_caches(self)
4960 
4961 
4962  def set_name(self, a0):
4963  """set_name(Charged self, std::string a0)"""
4964  return _IMP_atom.Charged_set_name(self, a0)
4965 
4966 
4967  def set_check_level(self, a0):
4968  """set_check_level(Charged self, IMP::CheckLevel a0)"""
4969  return _IMP_atom.Charged_set_check_level(self, a0)
4970 
4971 
4972  def add_to_derivative(self, a0, a1, a2):
4973  """add_to_derivative(Charged self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4974  return _IMP_atom.Charged_add_to_derivative(self, a0, a1, a2)
4975 
4976 
4977  def set_is_optimized(self, a0, a1):
4978  """set_is_optimized(Charged self, FloatKey a0, bool a1)"""
4979  return _IMP_atom.Charged_set_is_optimized(self, a0, a1)
4980 
4981 
4982  def get_is_optimized(self, a0):
4983  """get_is_optimized(Charged self, FloatKey a0) -> bool"""
4984  return _IMP_atom.Charged_get_is_optimized(self, a0)
4985 
4986 
4987  def get_check_level(self):
4988  """get_check_level(Charged self) -> IMP::CheckLevel"""
4989  return _IMP_atom.Charged_get_check_level(self)
4990 
4991 
4992  def __eq__(self, *args):
4993  """
4994  __eq__(Charged self, Charged o) -> bool
4995  __eq__(Charged self, Particle d) -> bool
4996  """
4997  return _IMP_atom.Charged___eq__(self, *args)
4998 
4999 
5000  def __ne__(self, *args):
5001  """
5002  __ne__(Charged self, Charged o) -> bool
5003  __ne__(Charged self, Particle d) -> bool
5004  """
5005  return _IMP_atom.Charged___ne__(self, *args)
5006 
5007 
5008  def __le__(self, *args):
5009  """
5010  __le__(Charged self, Charged o) -> bool
5011  __le__(Charged self, Particle d) -> bool
5012  """
5013  return _IMP_atom.Charged___le__(self, *args)
5014 
5015 
5016  def __lt__(self, *args):
5017  """
5018  __lt__(Charged self, Charged o) -> bool
5019  __lt__(Charged self, Particle d) -> bool
5020  """
5021  return _IMP_atom.Charged___lt__(self, *args)
5022 
5023 
5024  def __ge__(self, *args):
5025  """
5026  __ge__(Charged self, Charged o) -> bool
5027  __ge__(Charged self, Particle d) -> bool
5028  """
5029  return _IMP_atom.Charged___ge__(self, *args)
5030 
5031 
5032  def __gt__(self, *args):
5033  """
5034  __gt__(Charged self, Charged o) -> bool
5035  __gt__(Charged self, Particle d) -> bool
5036  """
5037  return _IMP_atom.Charged___gt__(self, *args)
5038 
5039 
5040  def __hash__(self):
5041  """__hash__(Charged self) -> std::size_t"""
5042  return _IMP_atom.Charged___hash__(self)
5043 
5044 
5045  def __str__(self):
5046  """__str__(Charged self) -> std::string"""
5047  return _IMP_atom.Charged___str__(self)
5048 
5049 
5050  def __repr__(self):
5051  """__repr__(Charged self) -> std::string"""
5052  return _IMP_atom.Charged___repr__(self)
5053 
5054  __swig_destroy__ = _IMP_atom.delete_Charged
5055  __del__ = lambda self: None
5056 Charged_swigregister = _IMP_atom.Charged_swigregister
5057 Charged_swigregister(Charged)
5058 
5059 def Charged_setup_particle(*args):
5060  """
5061  setup_particle(Model m, ParticleIndex pi, IMP::Float charge) -> Charged
5062  setup_particle(_ParticleAdaptor decorator, IMP::Float charge) -> Charged
5063  setup_particle(Model m, ParticleIndex pi, Vector3D v, IMP::Float charge) -> Charged
5064  Charged_setup_particle(_ParticleAdaptor decorator, Vector3D v, IMP::Float charge) -> Charged
5065  """
5066  return _IMP_atom.Charged_setup_particle(*args)
5067 
5068 def Charged_get_is_setup(*args):
5069  """
5070  get_is_setup(_ParticleAdaptor p) -> bool
5071  Charged_get_is_setup(Model m, ParticleIndex pi) -> bool
5072  """
5073  return _IMP_atom.Charged_get_is_setup(*args)
5074 
5075 def Charged_get_charge_key():
5076  """Charged_get_charge_key() -> FloatKey"""
5077  return _IMP_atom.Charged_get_charge_key()
5078 
5079 class CoulombPairScore(IMP.PairScore):
5080  """Proxy of C++ IMP::atom::CoulombPairScore class."""
5081 
5082  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5083 
5084  def __init__(self, f):
5085  """__init__(IMP::atom::CoulombPairScore self, SmoothingFunction f) -> CoulombPairScore"""
5086  this = _IMP_atom.new_CoulombPairScore(f)
5087  try:
5088  self.this.append(this)
5089  except __builtin__.Exception:
5090  self.this = this
5091 
5092  def set_relative_dielectric(self, relative_dielectric):
5093  """set_relative_dielectric(CoulombPairScore self, double relative_dielectric)"""
5094  return _IMP_atom.CoulombPairScore_set_relative_dielectric(self, relative_dielectric)
5095 
5096 
5097  def get_relative_dielectric(self):
5098  """get_relative_dielectric(CoulombPairScore self) -> double"""
5099  return _IMP_atom.CoulombPairScore_get_relative_dielectric(self)
5100 
5101 
5102  def do_get_inputs(self, m, pis):
5103  """do_get_inputs(CoulombPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5104  return _IMP_atom.CoulombPairScore_do_get_inputs(self, m, pis)
5105 
5106 
5107  def get_version_info(self):
5108  """get_version_info(CoulombPairScore self) -> VersionInfo"""
5109  return _IMP_atom.CoulombPairScore_get_version_info(self)
5110 
5111 
5112  def __str__(self):
5113  """__str__(CoulombPairScore self) -> std::string"""
5114  return _IMP_atom.CoulombPairScore___str__(self)
5115 
5116 
5117  def __repr__(self):
5118  """__repr__(CoulombPairScore self) -> std::string"""
5119  return _IMP_atom.CoulombPairScore___repr__(self)
5120 
5121 
5122  @staticmethod
5123  def get_from(o):
5124  return _object_cast_to_CoulombPairScore(o)
5125 
5126 CoulombPairScore_swigregister = _IMP_atom.CoulombPairScore_swigregister
5127 CoulombPairScore_swigregister(CoulombPairScore)
5128 
5129 class Domain(Hierarchy):
5130  """Proxy of C++ IMP::atom::Domain class."""
5131 
5132  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5133 
5134  def set_index_range(self, ir):
5135  """set_index_range(Domain self, IMP::IntRange ir)"""
5136  return _IMP_atom.Domain_set_index_range(self, ir)
5137 
5138 
5139  def get_index_range(self):
5140  """get_index_range(Domain self) -> IMP::IntRange"""
5141  return _IMP_atom.Domain_get_index_range(self)
5142 
5143 
5144  def __init__(self, *args):
5145  """
5146  __init__(IMP::atom::Domain self) -> Domain
5147  __init__(IMP::atom::Domain self, Model m, ParticleIndex id) -> Domain
5148  __init__(IMP::atom::Domain self, _ParticleAdaptor d) -> Domain
5149  """
5150  this = _IMP_atom.new_Domain(*args)
5151  try:
5152  self.this.append(this)
5153  except __builtin__.Exception:
5154  self.this = this
5155 
5156  def get_is_setup(*args):
5157  """
5158  get_is_setup(Model m, ParticleIndex pi) -> bool
5159  get_is_setup(_ParticleAdaptor p) -> bool
5160  """
5161  return _IMP_atom.Domain_get_is_setup(*args)
5162 
5163  get_is_setup = staticmethod(get_is_setup)
5164 
5165  def show(self, *args):
5166  """
5167  show(Domain self, _ostream out)
5168  show(Domain self)
5169  """
5170  return _IMP_atom.Domain_show(self, *args)
5171 
5172 
5173  def setup_particle(*args):
5174  """
5175  setup_particle(Model m, ParticleIndex pi, Domain other) -> Domain
5176  setup_particle(_ParticleAdaptor decorator, Domain other) -> Domain
5177  setup_particle(Model m, ParticleIndex pi, IMP::IntRange residues) -> Domain
5178  setup_particle(_ParticleAdaptor decorator, IMP::IntRange residues) -> Domain
5179  """
5180  return _IMP_atom.Domain_setup_particle(*args)
5181 
5182  setup_particle = staticmethod(setup_particle)
5183 
5184  def add_attribute(self, *args):
5185  """
5186  add_attribute(Domain self, FloatKey k, IMP::Float v, bool opt)
5187  add_attribute(Domain self, FloatKey a0, IMP::Float a1)
5188  add_attribute(Domain self, IntKey a0, IMP::Int a1)
5189  add_attribute(Domain self, StringKey a0, IMP::String a1)
5190  add_attribute(Domain self, ParticleIndexKey a0, Particle a1)
5191  add_attribute(Domain self, ObjectKey a0, Object a1)
5192  """
5193  return _IMP_atom.Domain_add_attribute(self, *args)
5194 
5195 
5196  def get_value(self, *args):
5197  """
5198  get_value(Domain self, FloatKey a0) -> IMP::Float
5199  get_value(Domain self, IntKey a0) -> IMP::Int
5200  get_value(Domain self, StringKey a0) -> IMP::String
5201  get_value(Domain self, ParticleIndexKey a0) -> Particle
5202  get_value(Domain self, ObjectKey a0) -> Object
5203  """
5204  return _IMP_atom.Domain_get_value(self, *args)
5205 
5206 
5207  def set_value(self, *args):
5208  """
5209  set_value(Domain self, FloatKey a0, IMP::Float a1)
5210  set_value(Domain self, IntKey a0, IMP::Int a1)
5211  set_value(Domain self, StringKey a0, IMP::String a1)
5212  set_value(Domain self, ParticleIndexKey a0, Particle a1)
5213  set_value(Domain self, ObjectKey a0, Object a1)
5214  """
5215  return _IMP_atom.Domain_set_value(self, *args)
5216 
5217 
5218  def remove_attribute(self, *args):
5219  """
5220  remove_attribute(Domain self, FloatKey a0)
5221  remove_attribute(Domain self, IntKey a0)
5222  remove_attribute(Domain self, StringKey a0)
5223  remove_attribute(Domain self, ParticleIndexKey a0)
5224  remove_attribute(Domain self, ObjectKey a0)
5225  """
5226  return _IMP_atom.Domain_remove_attribute(self, *args)
5227 
5228 
5229  def has_attribute(self, *args):
5230  """
5231  has_attribute(Domain self, FloatKey a0) -> bool
5232  has_attribute(Domain self, IntKey a0) -> bool
5233  has_attribute(Domain self, StringKey a0) -> bool
5234  has_attribute(Domain self, ParticleIndexKey a0) -> bool
5235  has_attribute(Domain self, ObjectKey a0) -> bool
5236  """
5237  return _IMP_atom.Domain_has_attribute(self, *args)
5238 
5239 
5240  def get_derivative(self, a0):
5241  """get_derivative(Domain self, FloatKey a0) -> double"""
5242  return _IMP_atom.Domain_get_derivative(self, a0)
5243 
5244 
5245  def get_name(self):
5246  """get_name(Domain self) -> std::string"""
5247  return _IMP_atom.Domain_get_name(self)
5248 
5249 
5250  def clear_caches(self):
5251  """clear_caches(Domain self)"""
5252  return _IMP_atom.Domain_clear_caches(self)
5253 
5254 
5255  def set_name(self, a0):
5256  """set_name(Domain self, std::string a0)"""
5257  return _IMP_atom.Domain_set_name(self, a0)
5258 
5259 
5260  def set_check_level(self, a0):
5261  """set_check_level(Domain self, IMP::CheckLevel a0)"""
5262  return _IMP_atom.Domain_set_check_level(self, a0)
5263 
5264 
5265  def add_to_derivative(self, a0, a1, a2):
5266  """add_to_derivative(Domain self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5267  return _IMP_atom.Domain_add_to_derivative(self, a0, a1, a2)
5268 
5269 
5270  def set_is_optimized(self, a0, a1):
5271  """set_is_optimized(Domain self, FloatKey a0, bool a1)"""
5272  return _IMP_atom.Domain_set_is_optimized(self, a0, a1)
5273 
5274 
5275  def get_is_optimized(self, a0):
5276  """get_is_optimized(Domain self, FloatKey a0) -> bool"""
5277  return _IMP_atom.Domain_get_is_optimized(self, a0)
5278 
5279 
5280  def get_check_level(self):
5281  """get_check_level(Domain self) -> IMP::CheckLevel"""
5282  return _IMP_atom.Domain_get_check_level(self)
5283 
5284 
5285  def __eq__(self, *args):
5286  """
5287  __eq__(Domain self, Domain o) -> bool
5288  __eq__(Domain self, Particle d) -> bool
5289  """
5290  return _IMP_atom.Domain___eq__(self, *args)
5291 
5292 
5293  def __ne__(self, *args):
5294  """
5295  __ne__(Domain self, Domain o) -> bool
5296  __ne__(Domain self, Particle d) -> bool
5297  """
5298  return _IMP_atom.Domain___ne__(self, *args)
5299 
5300 
5301  def __le__(self, *args):
5302  """
5303  __le__(Domain self, Domain o) -> bool
5304  __le__(Domain self, Particle d) -> bool
5305  """
5306  return _IMP_atom.Domain___le__(self, *args)
5307 
5308 
5309  def __lt__(self, *args):
5310  """
5311  __lt__(Domain self, Domain o) -> bool
5312  __lt__(Domain self, Particle d) -> bool
5313  """
5314  return _IMP_atom.Domain___lt__(self, *args)
5315 
5316 
5317  def __ge__(self, *args):
5318  """
5319  __ge__(Domain self, Domain o) -> bool
5320  __ge__(Domain self, Particle d) -> bool
5321  """
5322  return _IMP_atom.Domain___ge__(self, *args)
5323 
5324 
5325  def __gt__(self, *args):
5326  """
5327  __gt__(Domain self, Domain o) -> bool
5328  __gt__(Domain self, Particle d) -> bool
5329  """
5330  return _IMP_atom.Domain___gt__(self, *args)
5331 
5332 
5333  def __hash__(self):
5334  """__hash__(Domain self) -> std::size_t"""
5335  return _IMP_atom.Domain___hash__(self)
5336 
5337 
5338  def __str__(self):
5339  """__str__(Domain self) -> std::string"""
5340  return _IMP_atom.Domain___str__(self)
5341 
5342 
5343  def __repr__(self):
5344  """__repr__(Domain self) -> std::string"""
5345  return _IMP_atom.Domain___repr__(self)
5346 
5347  __swig_destroy__ = _IMP_atom.delete_Domain
5348  __del__ = lambda self: None
5349 Domain_swigregister = _IMP_atom.Domain_swigregister
5350 Domain_swigregister(Domain)
5351 
5352 def Domain_get_is_setup(*args):
5353  """
5354  get_is_setup(Model m, ParticleIndex pi) -> bool
5355  Domain_get_is_setup(_ParticleAdaptor p) -> bool
5356  """
5357  return _IMP_atom.Domain_get_is_setup(*args)
5358 
5359 def Domain_setup_particle(*args):
5360  """
5361  setup_particle(Model m, ParticleIndex pi, Domain other) -> Domain
5362  setup_particle(_ParticleAdaptor decorator, Domain other) -> Domain
5363  setup_particle(Model m, ParticleIndex pi, IMP::IntRange residues) -> Domain
5364  Domain_setup_particle(_ParticleAdaptor decorator, IMP::IntRange residues) -> Domain
5365  """
5366  return _IMP_atom.Domain_setup_particle(*args)
5367 
5368 class LennardJones(IMP.core.XYZR):
5369  """Proxy of C++ IMP::atom::LennardJones class."""
5370 
5371  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5372 
5373  def __init__(self, *args):
5374  """
5375  __init__(IMP::atom::LennardJones self) -> LennardJones
5376  __init__(IMP::atom::LennardJones self, Model m, ParticleIndex id) -> LennardJones
5377  __init__(IMP::atom::LennardJones self, _ParticleAdaptor d) -> LennardJones
5378  """
5379  this = _IMP_atom.new_LennardJones(*args)
5380  try:
5381  self.this.append(this)
5382  except __builtin__.Exception:
5383  self.this = this
5384 
5385  def show(self, *args):
5386  """
5387  show(LennardJones self, _ostream out)
5388  show(LennardJones self)
5389  """
5390  return _IMP_atom.LennardJones_show(self, *args)
5391 
5392 
5393  def setup_particle(*args):
5394  """
5395  setup_particle(Model m, ParticleIndex pi) -> LennardJones
5396  setup_particle(_ParticleAdaptor decorator) -> LennardJones
5397  setup_particle(Model m, ParticleIndex pi, IMP::Float well_depth) -> LennardJones
5398  setup_particle(_ParticleAdaptor decorator, IMP::Float well_depth) -> LennardJones
5399  """
5400  return _IMP_atom.LennardJones_setup_particle(*args)
5401 
5402  setup_particle = staticmethod(setup_particle)
5403 
5404  def get_well_depth(self):
5405  """get_well_depth(LennardJones self) -> IMP::Float"""
5406  return _IMP_atom.LennardJones_get_well_depth(self)
5407 
5408 
5409  def set_well_depth(self, well_depth):
5410  """set_well_depth(LennardJones self, IMP::Float well_depth)"""
5411  return _IMP_atom.LennardJones_set_well_depth(self, well_depth)
5412 
5413 
5414  def get_is_setup(*args):
5415  """
5416  get_is_setup(_ParticleAdaptor p) -> bool
5417  get_is_setup(Model m, ParticleIndex pi) -> bool
5418  """
5419  return _IMP_atom.LennardJones_get_is_setup(*args)
5420 
5421  get_is_setup = staticmethod(get_is_setup)
5422 
5423  def get_well_depth_key():
5424  """get_well_depth_key() -> FloatKey"""
5425  return _IMP_atom.LennardJones_get_well_depth_key()
5426 
5427  get_well_depth_key = staticmethod(get_well_depth_key)
5428 
5429  def add_attribute(self, *args):
5430  """
5431  add_attribute(LennardJones self, FloatKey k, IMP::Float v, bool opt)
5432  add_attribute(LennardJones self, FloatKey a0, IMP::Float a1)
5433  add_attribute(LennardJones self, IntKey a0, IMP::Int a1)
5434  add_attribute(LennardJones self, StringKey a0, IMP::String a1)
5435  add_attribute(LennardJones self, ParticleIndexKey a0, Particle a1)
5436  add_attribute(LennardJones self, ObjectKey a0, Object a1)
5437  """
5438  return _IMP_atom.LennardJones_add_attribute(self, *args)
5439 
5440 
5441  def get_value(self, *args):
5442  """
5443  get_value(LennardJones self, FloatKey a0) -> IMP::Float
5444  get_value(LennardJones self, IntKey a0) -> IMP::Int
5445  get_value(LennardJones self, StringKey a0) -> IMP::String
5446  get_value(LennardJones self, ParticleIndexKey a0) -> Particle
5447  get_value(LennardJones self, ObjectKey a0) -> Object
5448  """
5449  return _IMP_atom.LennardJones_get_value(self, *args)
5450 
5451 
5452  def set_value(self, *args):
5453  """
5454  set_value(LennardJones self, FloatKey a0, IMP::Float a1)
5455  set_value(LennardJones self, IntKey a0, IMP::Int a1)
5456  set_value(LennardJones self, StringKey a0, IMP::String a1)
5457  set_value(LennardJones self, ParticleIndexKey a0, Particle a1)
5458  set_value(LennardJones self, ObjectKey a0, Object a1)
5459  """
5460  return _IMP_atom.LennardJones_set_value(self, *args)
5461 
5462 
5463  def remove_attribute(self, *args):
5464  """
5465  remove_attribute(LennardJones self, FloatKey a0)
5466  remove_attribute(LennardJones self, IntKey a0)
5467  remove_attribute(LennardJones self, StringKey a0)
5468  remove_attribute(LennardJones self, ParticleIndexKey a0)
5469  remove_attribute(LennardJones self, ObjectKey a0)
5470  """
5471  return _IMP_atom.LennardJones_remove_attribute(self, *args)
5472 
5473 
5474  def has_attribute(self, *args):
5475  """
5476  has_attribute(LennardJones self, FloatKey a0) -> bool
5477  has_attribute(LennardJones self, IntKey a0) -> bool
5478  has_attribute(LennardJones self, StringKey a0) -> bool
5479  has_attribute(LennardJones self, ParticleIndexKey a0) -> bool
5480  has_attribute(LennardJones self, ObjectKey a0) -> bool
5481  """
5482  return _IMP_atom.LennardJones_has_attribute(self, *args)
5483 
5484 
5485  def get_derivative(self, a0):
5486  """get_derivative(LennardJones self, FloatKey a0) -> double"""
5487  return _IMP_atom.LennardJones_get_derivative(self, a0)
5488 
5489 
5490  def get_name(self):
5491  """get_name(LennardJones self) -> std::string"""
5492  return _IMP_atom.LennardJones_get_name(self)
5493 
5494 
5495  def clear_caches(self):
5496  """clear_caches(LennardJones self)"""
5497  return _IMP_atom.LennardJones_clear_caches(self)
5498 
5499 
5500  def set_name(self, a0):
5501  """set_name(LennardJones self, std::string a0)"""
5502  return _IMP_atom.LennardJones_set_name(self, a0)
5503 
5504 
5505  def set_check_level(self, a0):
5506  """set_check_level(LennardJones self, IMP::CheckLevel a0)"""
5507  return _IMP_atom.LennardJones_set_check_level(self, a0)
5508 
5509 
5510  def add_to_derivative(self, a0, a1, a2):
5511  """add_to_derivative(LennardJones self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5512  return _IMP_atom.LennardJones_add_to_derivative(self, a0, a1, a2)
5513 
5514 
5515  def set_is_optimized(self, a0, a1):
5516  """set_is_optimized(LennardJones self, FloatKey a0, bool a1)"""
5517  return _IMP_atom.LennardJones_set_is_optimized(self, a0, a1)
5518 
5519 
5520  def get_is_optimized(self, a0):
5521  """get_is_optimized(LennardJones self, FloatKey a0) -> bool"""
5522  return _IMP_atom.LennardJones_get_is_optimized(self, a0)
5523 
5524 
5525  def get_check_level(self):
5526  """get_check_level(LennardJones self) -> IMP::CheckLevel"""
5527  return _IMP_atom.LennardJones_get_check_level(self)
5528 
5529 
5530  def __eq__(self, *args):
5531  """
5532  __eq__(LennardJones self, LennardJones o) -> bool
5533  __eq__(LennardJones self, Particle d) -> bool
5534  """
5535  return _IMP_atom.LennardJones___eq__(self, *args)
5536 
5537 
5538  def __ne__(self, *args):
5539  """
5540  __ne__(LennardJones self, LennardJones o) -> bool
5541  __ne__(LennardJones self, Particle d) -> bool
5542  """
5543  return _IMP_atom.LennardJones___ne__(self, *args)
5544 
5545 
5546  def __le__(self, *args):
5547  """
5548  __le__(LennardJones self, LennardJones o) -> bool
5549  __le__(LennardJones self, Particle d) -> bool
5550  """
5551  return _IMP_atom.LennardJones___le__(self, *args)
5552 
5553 
5554  def __lt__(self, *args):
5555  """
5556  __lt__(LennardJones self, LennardJones o) -> bool
5557  __lt__(LennardJones self, Particle d) -> bool
5558  """
5559  return _IMP_atom.LennardJones___lt__(self, *args)
5560 
5561 
5562  def __ge__(self, *args):
5563  """
5564  __ge__(LennardJones self, LennardJones o) -> bool
5565  __ge__(LennardJones self, Particle d) -> bool
5566  """
5567  return _IMP_atom.LennardJones___ge__(self, *args)
5568 
5569 
5570  def __gt__(self, *args):
5571  """
5572  __gt__(LennardJones self, LennardJones o) -> bool
5573  __gt__(LennardJones self, Particle d) -> bool
5574  """
5575  return _IMP_atom.LennardJones___gt__(self, *args)
5576 
5577 
5578  def __hash__(self):
5579  """__hash__(LennardJones self) -> std::size_t"""
5580  return _IMP_atom.LennardJones___hash__(self)
5581 
5582 
5583  def __str__(self):
5584  """__str__(LennardJones self) -> std::string"""
5585  return _IMP_atom.LennardJones___str__(self)
5586 
5587 
5588  def __repr__(self):
5589  """__repr__(LennardJones self) -> std::string"""
5590  return _IMP_atom.LennardJones___repr__(self)
5591 
5592  __swig_destroy__ = _IMP_atom.delete_LennardJones
5593  __del__ = lambda self: None
5594 LennardJones_swigregister = _IMP_atom.LennardJones_swigregister
5595 LennardJones_swigregister(LennardJones)
5596 
5597 def LennardJones_setup_particle(*args):
5598  """
5599  setup_particle(Model m, ParticleIndex pi) -> LennardJones
5600  setup_particle(_ParticleAdaptor decorator) -> LennardJones
5601  setup_particle(Model m, ParticleIndex pi, IMP::Float well_depth) -> LennardJones
5602  LennardJones_setup_particle(_ParticleAdaptor decorator, IMP::Float well_depth) -> LennardJones
5603  """
5604  return _IMP_atom.LennardJones_setup_particle(*args)
5605 
5606 def LennardJones_get_is_setup(*args):
5607  """
5608  get_is_setup(_ParticleAdaptor p) -> bool
5609  LennardJones_get_is_setup(Model m, ParticleIndex pi) -> bool
5610  """
5611  return _IMP_atom.LennardJones_get_is_setup(*args)
5612 
5613 def LennardJones_get_well_depth_key():
5614  """LennardJones_get_well_depth_key() -> FloatKey"""
5615  return _IMP_atom.LennardJones_get_well_depth_key()
5616 
5617 class LennardJonesPairScore(IMP.PairScore):
5618  """Proxy of C++ IMP::atom::LennardJonesPairScore class."""
5619 
5620  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5621 
5622  def __init__(self, f):
5623  """__init__(IMP::atom::LennardJonesPairScore self, SmoothingFunction f) -> LennardJonesPairScore"""
5624  this = _IMP_atom.new_LennardJonesPairScore(f)
5625  try:
5626  self.this.append(this)
5627  except __builtin__.Exception:
5628  self.this = this
5629 
5630  def set_repulsive_weight(self, repulsive_weight):
5631  """set_repulsive_weight(LennardJonesPairScore self, double repulsive_weight)"""
5632  return _IMP_atom.LennardJonesPairScore_set_repulsive_weight(self, repulsive_weight)
5633 
5634 
5635  def get_repulsive_weight(self):
5636  """get_repulsive_weight(LennardJonesPairScore self) -> double"""
5637  return _IMP_atom.LennardJonesPairScore_get_repulsive_weight(self)
5638 
5639 
5640  def set_attractive_weight(self, attractive_weight):
5641  """set_attractive_weight(LennardJonesPairScore self, double attractive_weight)"""
5642  return _IMP_atom.LennardJonesPairScore_set_attractive_weight(self, attractive_weight)
5643 
5644 
5645  def get_attractive_weight(self):
5646  """get_attractive_weight(LennardJonesPairScore self) -> double"""
5647  return _IMP_atom.LennardJonesPairScore_get_attractive_weight(self)
5648 
5649 
5650  def do_get_inputs(self, m, pis):
5651  """do_get_inputs(LennardJonesPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5652  return _IMP_atom.LennardJonesPairScore_do_get_inputs(self, m, pis)
5653 
5654 
5655  def get_version_info(self):
5656  """get_version_info(LennardJonesPairScore self) -> VersionInfo"""
5657  return _IMP_atom.LennardJonesPairScore_get_version_info(self)
5658 
5659 
5660  def __str__(self):
5661  """__str__(LennardJonesPairScore self) -> std::string"""
5662  return _IMP_atom.LennardJonesPairScore___str__(self)
5663 
5664 
5665  def __repr__(self):
5666  """__repr__(LennardJonesPairScore self) -> std::string"""
5667  return _IMP_atom.LennardJonesPairScore___repr__(self)
5668 
5669 
5670  @staticmethod
5671  def get_from(o):
5672  return _object_cast_to_LennardJonesPairScore(o)
5673 
5674 LennardJonesPairScore_swigregister = _IMP_atom.LennardJonesPairScore_swigregister
5675 LennardJonesPairScore_swigregister(LennardJonesPairScore)
5676 
5677 class LinearVelocity(IMP.Decorator):
5678  """Proxy of C++ IMP::atom::LinearVelocity class."""
5679 
5680  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5681 
5682  def get_velocity_key(i):
5683  """get_velocity_key(unsigned int i) -> FloatKey"""
5684  return _IMP_atom.LinearVelocity_get_velocity_key(i)
5685 
5686  get_velocity_key = staticmethod(get_velocity_key)
5687 
5688  def __init__(self, *args):
5689  """
5690  __init__(IMP::atom::LinearVelocity self) -> LinearVelocity
5691  __init__(IMP::atom::LinearVelocity self, Model m, ParticleIndex id) -> LinearVelocity
5692  __init__(IMP::atom::LinearVelocity self, _ParticleAdaptor d) -> LinearVelocity
5693  """
5694  this = _IMP_atom.new_LinearVelocity(*args)
5695  try:
5696  self.this.append(this)
5697  except __builtin__.Exception:
5698  self.this = this
5699 
5700  def get_is_setup(*args):
5701  """
5702  get_is_setup(Model m, ParticleIndex pi) -> bool
5703  get_is_setup(_ParticleAdaptor p) -> bool
5704  """
5705  return _IMP_atom.LinearVelocity_get_is_setup(*args)
5706 
5707  get_is_setup = staticmethod(get_is_setup)
5708 
5709  def show(self, *args):
5710  """
5711  show(LinearVelocity self, _ostream out)
5712  show(LinearVelocity self)
5713  """
5714  return _IMP_atom.LinearVelocity_show(self, *args)
5715 
5716 
5717  def setup_particle(*args):
5718  """
5719  setup_particle(Model m, ParticleIndex pi) -> LinearVelocity
5720  setup_particle(_ParticleAdaptor decorator) -> LinearVelocity
5721  setup_particle(Model m, ParticleIndex pi, Vector3D v) -> LinearVelocity
5722  setup_particle(_ParticleAdaptor decorator, Vector3D v) -> LinearVelocity
5723  """
5724  return _IMP_atom.LinearVelocity_setup_particle(*args)
5725 
5726  setup_particle = staticmethod(setup_particle)
5727 
5728  def set_velocity(self, v):
5729  """set_velocity(LinearVelocity self, Vector3D v)"""
5730  return _IMP_atom.LinearVelocity_set_velocity(self, v)
5731 
5732 
5733  def get_velocity(self):
5734  """get_velocity(LinearVelocity self) -> Vector3D"""
5735  return _IMP_atom.LinearVelocity_get_velocity(self)
5736 
5737 
5738  def add_attribute(self, *args):
5739  """
5740  add_attribute(LinearVelocity self, FloatKey k, IMP::Float v, bool opt)
5741  add_attribute(LinearVelocity self, FloatKey a0, IMP::Float a1)
5742  add_attribute(LinearVelocity self, IntKey a0, IMP::Int a1)
5743  add_attribute(LinearVelocity self, StringKey a0, IMP::String a1)
5744  add_attribute(LinearVelocity self, ParticleIndexKey a0, Particle a1)
5745  add_attribute(LinearVelocity self, ObjectKey a0, Object a1)
5746  """
5747  return _IMP_atom.LinearVelocity_add_attribute(self, *args)
5748 
5749 
5750  def get_value(self, *args):
5751  """
5752  get_value(LinearVelocity self, FloatKey a0) -> IMP::Float
5753  get_value(LinearVelocity self, IntKey a0) -> IMP::Int
5754  get_value(LinearVelocity self, StringKey a0) -> IMP::String
5755  get_value(LinearVelocity self, ParticleIndexKey a0) -> Particle
5756  get_value(LinearVelocity self, ObjectKey a0) -> Object
5757  """
5758  return _IMP_atom.LinearVelocity_get_value(self, *args)
5759 
5760 
5761  def set_value(self, *args):
5762  """
5763  set_value(LinearVelocity self, FloatKey a0, IMP::Float a1)
5764  set_value(LinearVelocity self, IntKey a0, IMP::Int a1)
5765  set_value(LinearVelocity self, StringKey a0, IMP::String a1)
5766  set_value(LinearVelocity self, ParticleIndexKey a0, Particle a1)
5767  set_value(LinearVelocity self, ObjectKey a0, Object a1)
5768  """
5769  return _IMP_atom.LinearVelocity_set_value(self, *args)
5770 
5771 
5772  def remove_attribute(self, *args):
5773  """
5774  remove_attribute(LinearVelocity self, FloatKey a0)
5775  remove_attribute(LinearVelocity self, IntKey a0)
5776  remove_attribute(LinearVelocity self, StringKey a0)
5777  remove_attribute(LinearVelocity self, ParticleIndexKey a0)
5778  remove_attribute(LinearVelocity self, ObjectKey a0)
5779  """
5780  return _IMP_atom.LinearVelocity_remove_attribute(self, *args)
5781 
5782 
5783  def has_attribute(self, *args):
5784  """
5785  has_attribute(LinearVelocity self, FloatKey a0) -> bool
5786  has_attribute(LinearVelocity self, IntKey a0) -> bool
5787  has_attribute(LinearVelocity self, StringKey a0) -> bool
5788  has_attribute(LinearVelocity self, ParticleIndexKey a0) -> bool
5789  has_attribute(LinearVelocity self, ObjectKey a0) -> bool
5790  """
5791  return _IMP_atom.LinearVelocity_has_attribute(self, *args)
5792 
5793 
5794  def get_derivative(self, a0):
5795  """get_derivative(LinearVelocity self, FloatKey a0) -> double"""
5796  return _IMP_atom.LinearVelocity_get_derivative(self, a0)
5797 
5798 
5799  def get_name(self):
5800  """get_name(LinearVelocity self) -> std::string"""
5801  return _IMP_atom.LinearVelocity_get_name(self)
5802 
5803 
5804  def clear_caches(self):
5805  """clear_caches(LinearVelocity self)"""
5806  return _IMP_atom.LinearVelocity_clear_caches(self)
5807 
5808 
5809  def set_name(self, a0):
5810  """set_name(LinearVelocity self, std::string a0)"""
5811  return _IMP_atom.LinearVelocity_set_name(self, a0)
5812 
5813 
5814  def set_check_level(self, a0):
5815  """set_check_level(LinearVelocity self, IMP::CheckLevel a0)"""
5816  return _IMP_atom.LinearVelocity_set_check_level(self, a0)
5817 
5818 
5819  def add_to_derivative(self, a0, a1, a2):
5820  """add_to_derivative(LinearVelocity self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5821  return _IMP_atom.LinearVelocity_add_to_derivative(self, a0, a1, a2)
5822 
5823 
5824  def set_is_optimized(self, a0, a1):
5825  """set_is_optimized(LinearVelocity self, FloatKey a0, bool a1)"""
5826  return _IMP_atom.LinearVelocity_set_is_optimized(self, a0, a1)
5827 
5828 
5829  def get_is_optimized(self, a0):
5830  """get_is_optimized(LinearVelocity self, FloatKey a0) -> bool"""
5831  return _IMP_atom.LinearVelocity_get_is_optimized(self, a0)
5832 
5833 
5834  def get_check_level(self):
5835  """get_check_level(LinearVelocity self) -> IMP::CheckLevel"""
5836  return _IMP_atom.LinearVelocity_get_check_level(self)
5837 
5838 
5839  def __eq__(self, *args):
5840  """
5841  __eq__(LinearVelocity self, LinearVelocity o) -> bool
5842  __eq__(LinearVelocity self, Particle d) -> bool
5843  """
5844  return _IMP_atom.LinearVelocity___eq__(self, *args)
5845 
5846 
5847  def __ne__(self, *args):
5848  """
5849  __ne__(LinearVelocity self, LinearVelocity o) -> bool
5850  __ne__(LinearVelocity self, Particle d) -> bool
5851  """
5852  return _IMP_atom.LinearVelocity___ne__(self, *args)
5853 
5854 
5855  def __le__(self, *args):
5856  """
5857  __le__(LinearVelocity self, LinearVelocity o) -> bool
5858  __le__(LinearVelocity self, Particle d) -> bool
5859  """
5860  return _IMP_atom.LinearVelocity___le__(self, *args)
5861 
5862 
5863  def __lt__(self, *args):
5864  """
5865  __lt__(LinearVelocity self, LinearVelocity o) -> bool
5866  __lt__(LinearVelocity self, Particle d) -> bool
5867  """
5868  return _IMP_atom.LinearVelocity___lt__(self, *args)
5869 
5870 
5871  def __ge__(self, *args):
5872  """
5873  __ge__(LinearVelocity self, LinearVelocity o) -> bool
5874  __ge__(LinearVelocity self, Particle d) -> bool
5875  """
5876  return _IMP_atom.LinearVelocity___ge__(self, *args)
5877 
5878 
5879  def __gt__(self, *args):
5880  """
5881  __gt__(LinearVelocity self, LinearVelocity o) -> bool
5882  __gt__(LinearVelocity self, Particle d) -> bool
5883  """
5884  return _IMP_atom.LinearVelocity___gt__(self, *args)
5885 
5886 
5887  def __hash__(self):
5888  """__hash__(LinearVelocity self) -> std::size_t"""
5889  return _IMP_atom.LinearVelocity___hash__(self)
5890 
5891 
5892  def __str__(self):
5893  """__str__(LinearVelocity self) -> std::string"""
5894  return _IMP_atom.LinearVelocity___str__(self)
5895 
5896 
5897  def __repr__(self):
5898  """__repr__(LinearVelocity self) -> std::string"""
5899  return _IMP_atom.LinearVelocity___repr__(self)
5900 
5901  __swig_destroy__ = _IMP_atom.delete_LinearVelocity
5902  __del__ = lambda self: None
5903 LinearVelocity_swigregister = _IMP_atom.LinearVelocity_swigregister
5904 LinearVelocity_swigregister(LinearVelocity)
5905 
5906 def LinearVelocity_get_velocity_key(i):
5907  """LinearVelocity_get_velocity_key(unsigned int i) -> FloatKey"""
5908  return _IMP_atom.LinearVelocity_get_velocity_key(i)
5909 
5910 def LinearVelocity_get_is_setup(*args):
5911  """
5912  get_is_setup(Model m, ParticleIndex pi) -> bool
5913  LinearVelocity_get_is_setup(_ParticleAdaptor p) -> bool
5914  """
5915  return _IMP_atom.LinearVelocity_get_is_setup(*args)
5916 
5917 def LinearVelocity_setup_particle(*args):
5918  """
5919  setup_particle(Model m, ParticleIndex pi) -> LinearVelocity
5920  setup_particle(_ParticleAdaptor decorator) -> LinearVelocity
5921  setup_particle(Model m, ParticleIndex pi, Vector3D v) -> LinearVelocity
5922  LinearVelocity_setup_particle(_ParticleAdaptor decorator, Vector3D v) -> LinearVelocity
5923  """
5924  return _IMP_atom.LinearVelocity_setup_particle(*args)
5925 
5926 class AngularVelocity(IMP.Decorator):
5927  """Proxy of C++ IMP::atom::AngularVelocity class."""
5928 
5929  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5930 
5931  def get_velocity_key(i):
5932  """get_velocity_key(unsigned int i) -> FloatKey"""
5933  return _IMP_atom.AngularVelocity_get_velocity_key(i)
5934 
5935  get_velocity_key = staticmethod(get_velocity_key)
5936 
5937  def __init__(self, *args):
5938  """
5939  __init__(IMP::atom::AngularVelocity self) -> AngularVelocity
5940  __init__(IMP::atom::AngularVelocity self, Model m, ParticleIndex id) -> AngularVelocity
5941  __init__(IMP::atom::AngularVelocity self, _ParticleAdaptor d) -> AngularVelocity
5942  """
5943  this = _IMP_atom.new_AngularVelocity(*args)
5944  try:
5945  self.this.append(this)
5946  except __builtin__.Exception:
5947  self.this = this
5948 
5949  def get_is_setup(*args):
5950  """
5951  get_is_setup(Model m, ParticleIndex pi) -> bool
5952  get_is_setup(_ParticleAdaptor p) -> bool
5953  """
5954  return _IMP_atom.AngularVelocity_get_is_setup(*args)
5955 
5956  get_is_setup = staticmethod(get_is_setup)
5957 
5958  def show(self, *args):
5959  """
5960  show(AngularVelocity self, _ostream out)
5961  show(AngularVelocity self)
5962  """
5963  return _IMP_atom.AngularVelocity_show(self, *args)
5964 
5965 
5966  def setup_particle(*args):
5967  """
5968  setup_particle(Model m, ParticleIndex pi) -> AngularVelocity
5969  setup_particle(_ParticleAdaptor decorator) -> AngularVelocity
5970  setup_particle(Model m, ParticleIndex pi, Vector4D v) -> AngularVelocity
5971  setup_particle(_ParticleAdaptor decorator, Vector4D v) -> AngularVelocity
5972  """
5973  return _IMP_atom.AngularVelocity_setup_particle(*args)
5974 
5975  setup_particle = staticmethod(setup_particle)
5976 
5977  def set_velocity(self, v):
5978  """set_velocity(AngularVelocity self, Vector4D v)"""
5979  return _IMP_atom.AngularVelocity_set_velocity(self, v)
5980 
5981 
5982  def get_velocity(self):
5983  """get_velocity(AngularVelocity self) -> Vector4D"""
5984  return _IMP_atom.AngularVelocity_get_velocity(self)
5985 
5986 
5987  def add_attribute(self, *args):
5988  """
5989  add_attribute(AngularVelocity self, FloatKey k, IMP::Float v, bool opt)
5990  add_attribute(AngularVelocity self, FloatKey a0, IMP::Float a1)
5991  add_attribute(AngularVelocity self, IntKey a0, IMP::Int a1)
5992  add_attribute(AngularVelocity self, StringKey a0, IMP::String a1)
5993  add_attribute(AngularVelocity self, ParticleIndexKey a0, Particle a1)
5994  add_attribute(AngularVelocity self, ObjectKey a0, Object a1)
5995  """
5996  return _IMP_atom.AngularVelocity_add_attribute(self, *args)
5997 
5998 
5999  def get_value(self, *args):
6000  """
6001  get_value(AngularVelocity self, FloatKey a0) -> IMP::Float
6002  get_value(AngularVelocity self, IntKey a0) -> IMP::Int
6003  get_value(AngularVelocity self, StringKey a0) -> IMP::String
6004  get_value(AngularVelocity self, ParticleIndexKey a0) -> Particle
6005  get_value(AngularVelocity self, ObjectKey a0) -> Object
6006  """
6007  return _IMP_atom.AngularVelocity_get_value(self, *args)
6008 
6009 
6010  def set_value(self, *args):
6011  """
6012  set_value(AngularVelocity self, FloatKey a0, IMP::Float a1)
6013  set_value(AngularVelocity self, IntKey a0, IMP::Int a1)
6014  set_value(AngularVelocity self, StringKey a0, IMP::String a1)
6015  set_value(AngularVelocity self, ParticleIndexKey a0, Particle a1)
6016  set_value(AngularVelocity self, ObjectKey a0, Object a1)
6017  """
6018  return _IMP_atom.AngularVelocity_set_value(self, *args)
6019 
6020 
6021  def remove_attribute(self, *args):
6022  """
6023  remove_attribute(AngularVelocity self, FloatKey a0)
6024  remove_attribute(AngularVelocity self, IntKey a0)
6025  remove_attribute(AngularVelocity self, StringKey a0)
6026  remove_attribute(AngularVelocity self, ParticleIndexKey a0)
6027  remove_attribute(AngularVelocity self, ObjectKey a0)
6028  """
6029  return _IMP_atom.AngularVelocity_remove_attribute(self, *args)
6030 
6031 
6032  def has_attribute(self, *args):
6033  """
6034  has_attribute(AngularVelocity self, FloatKey a0) -> bool
6035  has_attribute(AngularVelocity self, IntKey a0) -> bool
6036  has_attribute(AngularVelocity self, StringKey a0) -> bool
6037  has_attribute(AngularVelocity self, ParticleIndexKey a0) -> bool
6038  has_attribute(AngularVelocity self, ObjectKey a0) -> bool
6039  """
6040  return _IMP_atom.AngularVelocity_has_attribute(self, *args)
6041 
6042 
6043  def get_derivative(self, a0):
6044  """get_derivative(AngularVelocity self, FloatKey a0) -> double"""
6045  return _IMP_atom.AngularVelocity_get_derivative(self, a0)
6046 
6047 
6048  def get_name(self):
6049  """get_name(AngularVelocity self) -> std::string"""
6050  return _IMP_atom.AngularVelocity_get_name(self)
6051 
6052 
6053  def clear_caches(self):
6054  """clear_caches(AngularVelocity self)"""
6055  return _IMP_atom.AngularVelocity_clear_caches(self)
6056 
6057 
6058  def set_name(self, a0):
6059  """set_name(AngularVelocity self, std::string a0)"""
6060  return _IMP_atom.AngularVelocity_set_name(self, a0)
6061 
6062 
6063  def set_check_level(self, a0):
6064  """set_check_level(AngularVelocity self, IMP::CheckLevel a0)"""
6065  return _IMP_atom.AngularVelocity_set_check_level(self, a0)
6066 
6067 
6068  def add_to_derivative(self, a0, a1, a2):
6069  """add_to_derivative(AngularVelocity self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
6070  return _IMP_atom.AngularVelocity_add_to_derivative(self, a0, a1, a2)
6071 
6072 
6073  def set_is_optimized(self, a0, a1):
6074  """set_is_optimized(AngularVelocity self, FloatKey a0, bool a1)"""
6075  return _IMP_atom.AngularVelocity_set_is_optimized(self, a0, a1)
6076 
6077 
6078  def get_is_optimized(self, a0):
6079  """get_is_optimized(AngularVelocity self, FloatKey a0) -> bool"""
6080  return _IMP_atom.AngularVelocity_get_is_optimized(self, a0)
6081 
6082 
6083  def get_check_level(self):
6084  """get_check_level(AngularVelocity self) -> IMP::CheckLevel"""
6085  return _IMP_atom.AngularVelocity_get_check_level(self)
6086 
6087 
6088  def __eq__(self, *args):
6089  """
6090  __eq__(AngularVelocity self, AngularVelocity o) -> bool
6091  __eq__(AngularVelocity self, Particle d) -> bool
6092  """
6093  return _IMP_atom.AngularVelocity___eq__(self, *args)
6094 
6095 
6096  def __ne__(self, *args):
6097  """
6098  __ne__(AngularVelocity self, AngularVelocity o) -> bool
6099  __ne__(AngularVelocity self, Particle d) -> bool
6100  """
6101  return _IMP_atom.AngularVelocity___ne__(self, *args)
6102 
6103 
6104  def __le__(self, *args):
6105  """
6106  __le__(AngularVelocity self, AngularVelocity o) -> bool
6107  __le__(AngularVelocity self, Particle d) -> bool
6108  """
6109  return _IMP_atom.AngularVelocity___le__(self, *args)
6110 
6111 
6112  def __lt__(self, *args):
6113  """
6114  __lt__(AngularVelocity self, AngularVelocity o) -> bool
6115  __lt__(AngularVelocity self, Particle d) -> bool
6116  """
6117  return _IMP_atom.AngularVelocity___lt__(self, *args)
6118 
6119 
6120  def __ge__(self, *args):
6121  """
6122  __ge__(AngularVelocity self, AngularVelocity o) -> bool
6123  __ge__(AngularVelocity self, Particle d) -> bool
6124  """
6125  return _IMP_atom.AngularVelocity___ge__(self, *args)
6126 
6127 
6128  def __gt__(self, *args):
6129  """
6130  __gt__(AngularVelocity self, AngularVelocity o) -> bool
6131  __gt__(AngularVelocity self, Particle d) -> bool
6132  """
6133  return _IMP_atom.AngularVelocity___gt__(self, *args)
6134 
6135 
6136  def __hash__(self):
6137  """__hash__(AngularVelocity self) -> std::size_t"""
6138  return _IMP_atom.AngularVelocity___hash__(self)
6139 
6140 
6141  def __str__(self):
6142  """__str__(AngularVelocity self) -> std::string"""
6143  return _IMP_atom.AngularVelocity___str__(self)
6144 
6145 
6146  def __repr__(self):
6147  """__repr__(AngularVelocity self) -> std::string"""
6148  return _IMP_atom.AngularVelocity___repr__(self)
6149 
6150  __swig_destroy__ = _IMP_atom.delete_AngularVelocity
6151  __del__ = lambda self: None
6152 AngularVelocity_swigregister = _IMP_atom.AngularVelocity_swigregister
6153 AngularVelocity_swigregister(AngularVelocity)
6154 
6155 def AngularVelocity_get_velocity_key(i):
6156  """AngularVelocity_get_velocity_key(unsigned int i) -> FloatKey"""
6157  return _IMP_atom.AngularVelocity_get_velocity_key(i)
6158 
6159 def AngularVelocity_get_is_setup(*args):
6160  """
6161  get_is_setup(Model m, ParticleIndex pi) -> bool
6162  AngularVelocity_get_is_setup(_ParticleAdaptor p) -> bool
6163  """
6164  return _IMP_atom.AngularVelocity_get_is_setup(*args)
6165 
6166 def AngularVelocity_setup_particle(*args):
6167  """
6168  setup_particle(Model m, ParticleIndex pi) -> AngularVelocity
6169  setup_particle(_ParticleAdaptor decorator) -> AngularVelocity
6170  setup_particle(Model m, ParticleIndex pi, Vector4D v) -> AngularVelocity
6171  AngularVelocity_setup_particle(_ParticleAdaptor decorator, Vector4D v) -> AngularVelocity
6172  """
6173  return _IMP_atom.AngularVelocity_setup_particle(*args)
6174 
6175 class MolecularDynamics(Simulator):
6176  """Proxy of C++ IMP::atom::MolecularDynamics class."""
6177 
6178  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6179 
6180  def __init__(self, m):
6181  """__init__(IMP::atom::MolecularDynamics self, Model m) -> MolecularDynamics"""
6182  this = _IMP_atom.new_MolecularDynamics(m)
6183  try:
6184  self.this.append(this)
6185  except __builtin__.Exception:
6186  self.this = this
6187 
6188  def get_kinetic_energy(self):
6189  """get_kinetic_energy(MolecularDynamics self) -> IMP::Float"""
6190  return _IMP_atom.MolecularDynamics_get_kinetic_energy(self)
6191 
6192 
6193  def get_kinetic_temperature(self, ekinetic):
6194  """get_kinetic_temperature(MolecularDynamics self, IMP::Float ekinetic) -> IMP::Float"""
6195  return _IMP_atom.MolecularDynamics_get_kinetic_temperature(self, ekinetic)
6196 
6197 
6198  def set_velocity_cap(self, velocity_cap):
6199  """set_velocity_cap(MolecularDynamics self, IMP::Float velocity_cap)"""
6200  return _IMP_atom.MolecularDynamics_set_velocity_cap(self, velocity_cap)
6201 
6202 
6203  def assign_velocities(self, temperature):
6204  """assign_velocities(MolecularDynamics self, IMP::Float temperature)"""
6205  return _IMP_atom.MolecularDynamics_assign_velocities(self, temperature)
6206 
6207 
6208  def setup(self, ps):
6209  """setup(MolecularDynamics self, IMP::ParticleIndexes const & ps)"""
6210  return _IMP_atom.MolecularDynamics_setup(self, ps)
6211 
6212 
6213  def do_step(self, sc, dt):
6214  """do_step(MolecularDynamics self, IMP::ParticleIndexes const & sc, double dt) -> double"""
6215  return _IMP_atom.MolecularDynamics_do_step(self, sc, dt)
6216 
6217 
6218  def get_is_simulation_particle(self, p):
6219  """get_is_simulation_particle(MolecularDynamics self, ParticleIndex p) -> bool"""
6220  return _IMP_atom.MolecularDynamics_get_is_simulation_particle(self, p)
6221 
6222 
6223  def get_version_info(self):
6224  """get_version_info(MolecularDynamics self) -> VersionInfo"""
6225  return _IMP_atom.MolecularDynamics_get_version_info(self)
6226 
6227 
6228  def __str__(self):
6229  """__str__(MolecularDynamics self) -> std::string"""
6230  return _IMP_atom.MolecularDynamics___str__(self)
6231 
6232 
6233  def __repr__(self):
6234  """__repr__(MolecularDynamics self) -> std::string"""
6235  return _IMP_atom.MolecularDynamics___repr__(self)
6236 
6237 
6238  @staticmethod
6239  def get_from(o):
6240  return _object_cast_to_MolecularDynamics(o)
6241 
6242 MolecularDynamics_swigregister = _IMP_atom.MolecularDynamics_swigregister
6243 MolecularDynamics_swigregister(MolecularDynamics)
6244 
6245 class VelocityScalingOptimizerState(IMP.OptimizerState):
6246  """Proxy of C++ IMP::atom::VelocityScalingOptimizerState class."""
6247 
6248  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6249 
6250  def __init__(self, m, pis, temperature):
6251  """__init__(IMP::atom::VelocityScalingOptimizerState self, Model m, _ParticleIndexesAdaptor pis, double temperature) -> VelocityScalingOptimizerState"""
6252  this = _IMP_atom.new_VelocityScalingOptimizerState(m, pis, temperature)
6253  try:
6254  self.this.append(this)
6255  except __builtin__.Exception:
6256  self.this = this
6257 
6258  def set_particles(self, pis):
6259  """set_particles(VelocityScalingOptimizerState self, IMP::Particles const & pis)"""
6260  return _IMP_atom.VelocityScalingOptimizerState_set_particles(self, pis)
6261 
6262 
6263  def set_temperature(self, temperature):
6264  """set_temperature(VelocityScalingOptimizerState self, IMP::Float temperature)"""
6265  return _IMP_atom.VelocityScalingOptimizerState_set_temperature(self, temperature)
6266 
6267 
6268  def rescale_velocities(self):
6269  """rescale_velocities(VelocityScalingOptimizerState self)"""
6270  return _IMP_atom.VelocityScalingOptimizerState_rescale_velocities(self)
6271 
6272 
6273  def get_version_info(self):
6274  """get_version_info(VelocityScalingOptimizerState self) -> VersionInfo"""
6275  return _IMP_atom.VelocityScalingOptimizerState_get_version_info(self)
6276 
6277 
6278  def __str__(self):
6279  """__str__(VelocityScalingOptimizerState self) -> std::string"""
6280  return _IMP_atom.VelocityScalingOptimizerState___str__(self)
6281 
6282 
6283  def __repr__(self):
6284  """__repr__(VelocityScalingOptimizerState self) -> std::string"""
6285  return _IMP_atom.VelocityScalingOptimizerState___repr__(self)
6286 
6287 
6288  @staticmethod
6289  def get_from(o):
6290  return _object_cast_to_VelocityScalingOptimizerState(o)
6291 
6292 VelocityScalingOptimizerState_swigregister = _IMP_atom.VelocityScalingOptimizerState_swigregister
6293 VelocityScalingOptimizerState_swigregister(VelocityScalingOptimizerState)
6294 
6295 class Fragment(Hierarchy):
6296  """Proxy of C++ IMP::atom::Fragment class."""
6297 
6298  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6299 
6300  def set_residue_indexes(self, o):
6301  """set_residue_indexes(Fragment self, IMP::Ints o)"""
6302  return _IMP_atom.Fragment_set_residue_indexes(self, o)
6303 
6304 
6305  def get_residue_indexes(self):
6306  """get_residue_indexes(Fragment self) -> IMP::Ints"""
6307  return _IMP_atom.Fragment_get_residue_indexes(self)
6308 
6309 
6310  def get_contains_residue(self, rindex):
6311  """get_contains_residue(Fragment self, int rindex) -> bool"""
6312  return _IMP_atom.Fragment_get_contains_residue(self, rindex)
6313 
6314 
6315  def __init__(self, *args):
6316  """
6317  __init__(IMP::atom::Fragment self) -> Fragment
6318  __init__(IMP::atom::Fragment self, Model m, ParticleIndex id) -> Fragment
6319  __init__(IMP::atom::Fragment self, _ParticleAdaptor d) -> Fragment
6320  """
6321  this = _IMP_atom.new_Fragment(*args)
6322  try:
6323  self.this.append(this)
6324  except __builtin__.Exception:
6325  self.this = this
6326 
6327  def get_is_setup(*args):
6328  """
6329  get_is_setup(Model m, ParticleIndex pi) -> bool
6330  get_is_setup(_ParticleAdaptor p) -> bool
6331  """
6332  return _IMP_atom.Fragment_get_is_setup(*args)
6333 
6334  get_is_setup = staticmethod(get_is_setup)
6335 
6336  def show(self, *args):
6337  """
6338  show(Fragment self, _ostream out)
6339  show(Fragment self)
6340  """
6341  return _IMP_atom.Fragment_show(self, *args)
6342 
6343 
6344  def setup_particle(*args):
6345  """
6346  setup_particle(Model m, ParticleIndex pi) -> Fragment
6347  setup_particle(_ParticleAdaptor decorator) -> Fragment
6348  setup_particle(Model m, ParticleIndex pi, Fragment other) -> Fragment
6349  setup_particle(_ParticleAdaptor decorator, Fragment other) -> Fragment
6350  setup_particle(Model m, ParticleIndex pi, IMP::Ints residue_indexes) -> Fragment
6351  setup_particle(_ParticleAdaptor decorator, IMP::Ints residue_indexes) -> Fragment
6352  """
6353  return _IMP_atom.Fragment_setup_particle(*args)
6354 
6355  setup_particle = staticmethod(setup_particle)
6356 
6357  def add_attribute(self, *args):
6358  """
6359  add_attribute(Fragment self, FloatKey k, IMP::Float v, bool opt)
6360  add_attribute(Fragment self, FloatKey a0, IMP::Float a1)
6361  add_attribute(Fragment self, IntKey a0, IMP::Int a1)
6362  add_attribute(Fragment self, StringKey a0, IMP::String a1)
6363  add_attribute(Fragment self, ParticleIndexKey a0, Particle a1)
6364  add_attribute(Fragment self, ObjectKey a0, Object a1)
6365  """
6366  return _IMP_atom.Fragment_add_attribute(self, *args)
6367 
6368 
6369  def get_value(self, *args):
6370  """
6371  get_value(Fragment self, FloatKey a0) -> IMP::Float
6372  get_value(Fragment self, IntKey a0) -> IMP::Int
6373  get_value(Fragment self, StringKey a0) -> IMP::String
6374  get_value(Fragment self, ParticleIndexKey a0) -> Particle
6375  get_value(Fragment self, ObjectKey a0) -> Object
6376  """
6377  return _IMP_atom.Fragment_get_value(self, *args)
6378 
6379 
6380  def set_value(self, *args):
6381  """
6382  set_value(Fragment self, FloatKey a0, IMP::Float a1)
6383  set_value(Fragment self, IntKey a0, IMP::Int a1)
6384  set_value(Fragment self, StringKey a0, IMP::String a1)
6385  set_value(Fragment self, ParticleIndexKey a0, Particle a1)
6386  set_value(Fragment self, ObjectKey a0, Object a1)
6387  """
6388  return _IMP_atom.Fragment_set_value(self, *args)
6389 
6390 
6391  def remove_attribute(self, *args):
6392  """
6393  remove_attribute(Fragment self, FloatKey a0)
6394  remove_attribute(Fragment self, IntKey a0)
6395  remove_attribute(Fragment self, StringKey a0)
6396  remove_attribute(Fragment self, ParticleIndexKey a0)
6397  remove_attribute(Fragment self, ObjectKey a0)
6398  """
6399  return _IMP_atom.Fragment_remove_attribute(self, *args)
6400 
6401 
6402  def has_attribute(self, *args):
6403  """
6404  has_attribute(Fragment self, FloatKey a0) -> bool
6405  has_attribute(Fragment self, IntKey a0) -> bool
6406  has_attribute(Fragment self, StringKey a0) -> bool
6407  has_attribute(Fragment self, ParticleIndexKey a0) -> bool
6408  has_attribute(Fragment self, ObjectKey a0) -> bool
6409  """
6410  return _IMP_atom.Fragment_has_attribute(self, *args)
6411 
6412 
6413  def get_derivative(self, a0):
6414  """get_derivative(Fragment self, FloatKey a0) -> double"""
6415  return _IMP_atom.Fragment_get_derivative(self, a0)
6416 
6417 
6418  def get_name(self):
6419  """get_name(Fragment self) -> std::string"""
6420  return _IMP_atom.Fragment_get_name(self)
6421 
6422 
6423  def clear_caches(self):
6424  """clear_caches(Fragment self)"""
6425  return _IMP_atom.Fragment_clear_caches(self)
6426 
6427 
6428  def set_name(self, a0):
6429  """set_name(Fragment self, std::string a0)"""
6430  return _IMP_atom.Fragment_set_name(self, a0)
6431 
6432 
6433  def set_check_level(self, a0):
6434  """set_check_level(Fragment self, IMP::CheckLevel a0)"""
6435  return _IMP_atom.Fragment_set_check_level(self, a0)
6436 
6437 
6438  def add_to_derivative(self, a0, a1, a2):
6439  """add_to_derivative(Fragment self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
6440  return _IMP_atom.Fragment_add_to_derivative(self, a0, a1, a2)
6441 
6442 
6443  def set_is_optimized(self, a0, a1):
6444  """set_is_optimized(Fragment self, FloatKey a0, bool a1)"""
6445  return _IMP_atom.Fragment_set_is_optimized(self, a0, a1)
6446 
6447 
6448  def get_is_optimized(self, a0):
6449  """get_is_optimized(Fragment self, FloatKey a0) -> bool"""
6450  return _IMP_atom.Fragment_get_is_optimized(self, a0)
6451 
6452 
6453  def get_check_level(self):
6454  """get_check_level(Fragment self) -> IMP::CheckLevel"""
6455  return _IMP_atom.Fragment_get_check_level(self)
6456 
6457 
6458  def __eq__(self, *args):
6459  """
6460  __eq__(Fragment self, Fragment o) -> bool
6461  __eq__(Fragment self, Particle d) -> bool
6462  """
6463  return _IMP_atom.Fragment___eq__(self, *args)
6464 
6465 
6466  def __ne__(self, *args):
6467  """
6468  __ne__(Fragment self, Fragment o) -> bool
6469  __ne__(Fragment self, Particle d) -> bool
6470  """
6471  return _IMP_atom.Fragment___ne__(self, *args)
6472 
6473 
6474  def __le__(self, *args):
6475  """
6476  __le__(Fragment self, Fragment o) -> bool
6477  __le__(Fragment self, Particle d) -> bool
6478  """
6479  return _IMP_atom.Fragment___le__(self, *args)
6480 
6481 
6482  def __lt__(self, *args):
6483  """
6484  __lt__(Fragment self, Fragment o) -> bool
6485  __lt__(Fragment self, Particle d) -> bool
6486  """
6487  return _IMP_atom.Fragment___lt__(self, *args)
6488 
6489 
6490  def __ge__(self, *args):
6491  """
6492  __ge__(Fragment self, Fragment o) -> bool
6493  __ge__(Fragment self, Particle d) -> bool
6494  """
6495  return _IMP_atom.Fragment___ge__(self, *args)
6496 
6497 
6498  def __gt__(self, *args):
6499  """
6500  __gt__(Fragment self, Fragment o) -> bool
6501  __gt__(Fragment self, Particle d) -> bool
6502  """
6503  return _IMP_atom.Fragment___gt__(self, *args)
6504 
6505 
6506  def __hash__(self):
6507  """__hash__(Fragment self) -> std::size_t"""
6508  return _IMP_atom.Fragment___hash__(self)
6509 
6510 
6511  def __str__(self):
6512  """__str__(Fragment self) -> std::string"""
6513  return _IMP_atom.Fragment___str__(self)
6514 
6515 
6516  def __repr__(self):
6517  """__repr__(Fragment self) -> std::string"""
6518  return _IMP_atom.Fragment___repr__(self)
6519 
6520  __swig_destroy__ = _IMP_atom.delete_Fragment
6521  __del__ = lambda self: None
6522 Fragment_swigregister = _IMP_atom.Fragment_swigregister
6523 Fragment_swigregister(Fragment)
6524 
6525 def Fragment_get_is_setup(*args):
6526  """
6527  get_is_setup(Model m, ParticleIndex pi) -> bool
6528  Fragment_get_is_setup(_ParticleAdaptor p) -> bool
6529  """
6530  return _IMP_atom.Fragment_get_is_setup(*args)
6531 
6532 def Fragment_setup_particle(*args):
6533  """
6534  setup_particle(Model m, ParticleIndex pi) -> Fragment
6535  setup_particle(_ParticleAdaptor decorator) -> Fragment
6536  setup_particle(Model m, ParticleIndex pi, Fragment other) -> Fragment
6537  setup_particle(_ParticleAdaptor decorator, Fragment other) -> Fragment
6538  setup_particle(Model m, ParticleIndex pi, IMP::Ints residue_indexes) -> Fragment
6539  Fragment_setup_particle(_ParticleAdaptor decorator, IMP::Ints residue_indexes) -> Fragment
6540  """
6541  return _IMP_atom.Fragment_setup_particle(*args)
6542 
6543 class StereochemistryPairFilter(IMP.PairPredicate):
6544  """Proxy of C++ IMP::atom::StereochemistryPairFilter class."""
6545 
6546  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6547 
6548  def __init__(self):
6549  """__init__(IMP::atom::StereochemistryPairFilter self) -> StereochemistryPairFilter"""
6550  this = _IMP_atom.new_StereochemistryPairFilter()
6551  try:
6552  self.this.append(this)
6553  except __builtin__.Exception:
6554  self.this = this
6555 
6556  def set_bonds(self, bonds):
6557  """set_bonds(StereochemistryPairFilter self, IMP::Particles const & bonds)"""
6558  return _IMP_atom.StereochemistryPairFilter_set_bonds(self, bonds)
6559 
6560 
6561  def set_angles(self, angles):
6562  """set_angles(StereochemistryPairFilter self, IMP::Particles const & angles)"""
6563  return _IMP_atom.StereochemistryPairFilter_set_angles(self, angles)
6564 
6565 
6566  def set_dihedrals(self, dihedrals):
6567  """set_dihedrals(StereochemistryPairFilter self, IMP::Particles const & dihedrals)"""
6568  return _IMP_atom.StereochemistryPairFilter_set_dihedrals(self, dihedrals)
6569 
6570 
6571  def do_get_inputs(self, m, pis):
6572  """do_get_inputs(StereochemistryPairFilter self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6573  return _IMP_atom.StereochemistryPairFilter_do_get_inputs(self, m, pis)
6574 
6575 
6576  def get_value(self, *args):
6577  """
6578  get_value(StereochemistryPairFilter self, IMP::ParticlePair const & a) -> int
6579  get_value(StereochemistryPairFilter self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
6580  """
6581  return _IMP_atom.StereochemistryPairFilter_get_value(self, *args)
6582 
6583 
6584  def get_value_index(self, *args):
6585  """
6586  get_value_index(StereochemistryPairFilter self, Model m, IMP::ParticleIndexPair const & p) -> int
6587  get_value_index(StereochemistryPairFilter self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
6588  """
6589  return _IMP_atom.StereochemistryPairFilter_get_value_index(self, *args)
6590 
6591 
6592  def get_version_info(self):
6593  """get_version_info(StereochemistryPairFilter self) -> VersionInfo"""
6594  return _IMP_atom.StereochemistryPairFilter_get_version_info(self)
6595 
6596 
6597  def __str__(self):
6598  """__str__(StereochemistryPairFilter self) -> std::string"""
6599  return _IMP_atom.StereochemistryPairFilter___str__(self)
6600 
6601 
6602  def __repr__(self):
6603  """__repr__(StereochemistryPairFilter self) -> std::string"""
6604  return _IMP_atom.StereochemistryPairFilter___repr__(self)
6605 
6606 
6607  @staticmethod
6608  def get_from(o):
6609  return _object_cast_to_StereochemistryPairFilter(o)
6610 
6611 StereochemistryPairFilter_swigregister = _IMP_atom.StereochemistryPairFilter_swigregister
6612 StereochemistryPairFilter_swigregister(StereochemistryPairFilter)
6613 
6614 class SoapPairFilter(IMP.PairPredicate):
6615  """Proxy of C++ IMP::atom::SoapPairFilter class."""
6616 
6617  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6618 
6619  def __init__(self, library):
6620  """__init__(IMP::atom::SoapPairFilter self, std::string library) -> SoapPairFilter"""
6621  this = _IMP_atom.new_SoapPairFilter(library)
6622  try:
6623  self.this.append(this)
6624  except __builtin__.Exception:
6625  self.this = this
6626 
6627  def do_get_inputs(self, m, pis):
6628  """do_get_inputs(SoapPairFilter self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6629  return _IMP_atom.SoapPairFilter_do_get_inputs(self, m, pis)
6630 
6631 
6632  def get_value(self, *args):
6633  """
6634  get_value(SoapPairFilter self, IMP::ParticlePair const & a) -> int
6635  get_value(SoapPairFilter self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
6636  """
6637  return _IMP_atom.SoapPairFilter_get_value(self, *args)
6638 
6639 
6640  def get_value_index(self, *args):
6641  """
6642  get_value_index(SoapPairFilter self, Model m, IMP::ParticleIndexPair const & p) -> int
6643  get_value_index(SoapPairFilter self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
6644  """
6645  return _IMP_atom.SoapPairFilter_get_value_index(self, *args)
6646 
6647 
6648  def get_version_info(self):
6649  """get_version_info(SoapPairFilter self) -> VersionInfo"""
6650  return _IMP_atom.SoapPairFilter_get_version_info(self)
6651 
6652 
6653  def __str__(self):
6654  """__str__(SoapPairFilter self) -> std::string"""
6655  return _IMP_atom.SoapPairFilter___str__(self)
6656 
6657 
6658  def __repr__(self):
6659  """__repr__(SoapPairFilter self) -> std::string"""
6660  return _IMP_atom.SoapPairFilter___repr__(self)
6661 
6662 
6663  @staticmethod
6664  def get_from(o):
6665  return _object_cast_to_SoapPairFilter(o)
6666 
6667 SoapPairFilter_swigregister = _IMP_atom.SoapPairFilter_swigregister
6668 SoapPairFilter_swigregister(SoapPairFilter)
6669 
6670 class Mass(IMP.Decorator):
6671  """Proxy of C++ IMP::atom::Mass class."""
6672 
6673  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6674 
6675  def get_mass(self):
6676  """get_mass(Mass self) -> IMP::Float"""
6677  return _IMP_atom.Mass_get_mass(self)
6678 
6679 
6680  def set_mass(self, d):
6681  """set_mass(Mass self, IMP::Float d)"""
6682  return _IMP_atom.Mass_set_mass(self, d)
6683 
6684 
6685  def __init__(self, *args):
6686  """
6687  __init__(IMP::atom::Mass self) -> Mass
6688  __init__(IMP::atom::Mass self, Model m, ParticleIndex id) -> Mass
6689  __init__(IMP::atom::Mass self, _ParticleAdaptor d) -> Mass
6690  """
6691  this = _IMP_atom.new_Mass(*args)
6692  try:
6693  self.this.append(this)
6694  except __builtin__.Exception:
6695  self.this = this
6696 
6697  def get_is_setup(*args):
6698  """
6699  get_is_setup(Model m, ParticleIndex pi) -> bool
6700  get_is_setup(_ParticleAdaptor p) -> bool
6701  """
6702  return _IMP_atom.Mass_get_is_setup(*args)
6703 
6704  get_is_setup = staticmethod(get_is_setup)
6705 
6706  def show(self, *args):
6707  """
6708  show(Mass self, _ostream out)
6709  show(Mass self)
6710  """
6711  return _IMP_atom.Mass_show(self, *args)
6712 
6713 
6714  def setup_particle(*args):
6715  """
6716  setup_particle(Model m, ParticleIndex pi, IMP::Float mass) -> Mass
6717  setup_particle(_ParticleAdaptor decorator, IMP::Float mass) -> Mass
6718  setup_particle(Model m, ParticleIndex pi, Mass other) -> Mass
6719  setup_particle(_ParticleAdaptor decorator, Mass other) -> Mass
6720  """
6721  return _IMP_atom.Mass_setup_particle(*args)
6722 
6723  setup_particle = staticmethod(setup_particle)
6724 
6725  def get_mass_key():
6726  """get_mass_key() -> FloatKey"""
6727  return _IMP_atom.Mass_get_mass_key()
6728 
6729  get_mass_key = staticmethod(get_mass_key)
6730 
6731  def add_attribute(self, *args):
6732  """
6733  add_attribute(Mass self, FloatKey k, IMP::Float v, bool opt)
6734  add_attribute(Mass self, FloatKey a0, IMP::Float a1)
6735  add_attribute(Mass self, IntKey a0, IMP::Int a1)
6736  add_attribute(Mass self, StringKey a0, IMP::String a1)
6737  add_attribute(Mass self, ParticleIndexKey a0, Particle a1)
6738  add_attribute(Mass self, ObjectKey a0, Object a1)
6739  """
6740  return _IMP_atom.Mass_add_attribute(self, *args)
6741 
6742 
6743  def get_value(self, *args):
6744  """
6745  get_value(Mass self, FloatKey a0) -> IMP::Float
6746  get_value(Mass self, IntKey a0) -> IMP::Int
6747  get_value(Mass self, StringKey a0) -> IMP::String
6748  get_value(Mass self, ParticleIndexKey a0) -> Particle
6749  get_value(Mass self, ObjectKey a0) -> Object
6750  """
6751  return _IMP_atom.Mass_get_value(self, *args)
6752 
6753 
6754  def set_value(self, *args):
6755  """
6756  set_value(Mass self, FloatKey a0, IMP::Float a1)
6757  set_value(Mass self, IntKey a0, IMP::Int a1)
6758  set_value(Mass self, StringKey a0, IMP::String a1)
6759  set_value(Mass self, ParticleIndexKey a0, Particle a1)
6760  set_value(Mass self, ObjectKey a0, Object a1)
6761  """
6762  return _IMP_atom.Mass_set_value(self, *args)
6763 
6764 
6765  def remove_attribute(self, *args):
6766  """
6767  remove_attribute(Mass self, FloatKey a0)
6768  remove_attribute(Mass self, IntKey a0)
6769  remove_attribute(Mass self, StringKey a0)
6770  remove_attribute(Mass self, ParticleIndexKey a0)
6771  remove_attribute(Mass self, ObjectKey a0)
6772  """
6773  return _IMP_atom.Mass_remove_attribute(self, *args)
6774 
6775 
6776  def has_attribute(self, *args):
6777  """
6778  has_attribute(Mass self, FloatKey a0) -> bool
6779  has_attribute(Mass self, IntKey a0) -> bool
6780  has_attribute(Mass self, StringKey a0) -> bool
6781  has_attribute(Mass self, ParticleIndexKey a0) -> bool
6782  has_attribute(Mass self, ObjectKey a0) -> bool
6783  """
6784  return _IMP_atom.Mass_has_attribute(self, *args)
6785 
6786 
6787  def get_derivative(self, a0):
6788  """get_derivative(Mass self, FloatKey a0) -> double"""
6789  return _IMP_atom.Mass_get_derivative(self, a0)
6790 
6791 
6792  def get_name(self):
6793  """get_name(Mass self) -> std::string"""
6794  return _IMP_atom.Mass_get_name(self)
6795 
6796 
6797  def clear_caches(self):
6798  """clear_caches(Mass self)"""
6799  return _IMP_atom.Mass_clear_caches(self)
6800 
6801 
6802  def set_name(self, a0):
6803  """set_name(Mass self, std::string a0)"""
6804  return _IMP_atom.Mass_set_name(self, a0)
6805 
6806 
6807  def set_check_level(self, a0):
6808  """set_check_level(Mass self, IMP::CheckLevel a0)"""
6809  return _IMP_atom.Mass_set_check_level(self, a0)
6810 
6811 
6812  def add_to_derivative(self, a0, a1, a2):
6813  """add_to_derivative(Mass self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
6814  return _IMP_atom.Mass_add_to_derivative(self, a0, a1, a2)
6815 
6816 
6817  def set_is_optimized(self, a0, a1):
6818  """set_is_optimized(Mass self, FloatKey a0, bool a1)"""
6819  return _IMP_atom.Mass_set_is_optimized(self, a0, a1)
6820 
6821 
6822  def get_is_optimized(self, a0):
6823  """get_is_optimized(Mass self, FloatKey a0) -> bool"""
6824  return _IMP_atom.Mass_get_is_optimized(self, a0)
6825 
6826 
6827  def get_check_level(self):
6828  """get_check_level(Mass self) -> IMP::CheckLevel"""
6829  return _IMP_atom.Mass_get_check_level(self)
6830 
6831 
6832  def __eq__(self, *args):
6833  """
6834  __eq__(Mass self, Mass o) -> bool
6835  __eq__(Mass self, Particle d) -> bool
6836  """
6837  return _IMP_atom.Mass___eq__(self, *args)
6838 
6839 
6840  def __ne__(self, *args):
6841  """
6842  __ne__(Mass self, Mass o) -> bool
6843  __ne__(Mass self, Particle d) -> bool
6844  """
6845  return _IMP_atom.Mass___ne__(self, *args)
6846 
6847 
6848  def __le__(self, *args):
6849  """
6850  __le__(Mass self, Mass o) -> bool
6851  __le__(Mass self, Particle d) -> bool
6852  """
6853  return _IMP_atom.Mass___le__(self, *args)
6854 
6855 
6856  def __lt__(self, *args):
6857  """
6858  __lt__(Mass self, Mass o) -> bool
6859  __lt__(Mass self, Particle d) -> bool
6860  """
6861  return _IMP_atom.Mass___lt__(self, *args)
6862 
6863 
6864  def __ge__(self, *args):
6865  """
6866  __ge__(Mass self, Mass o) -> bool
6867  __ge__(Mass self, Particle d) -> bool
6868  """
6869  return _IMP_atom.Mass___ge__(self, *args)
6870 
6871 
6872  def __gt__(self, *args):
6873  """
6874  __gt__(Mass self, Mass o) -> bool
6875  __gt__(Mass self, Particle d) -> bool
6876  """
6877  return _IMP_atom.Mass___gt__(self, *args)
6878 
6879 
6880  def __hash__(self):
6881  """__hash__(Mass self) -> std::size_t"""
6882  return _IMP_atom.Mass___hash__(self)
6883 
6884 
6885  def __str__(self):
6886  """__str__(Mass self) -> std::string"""
6887  return _IMP_atom.Mass___str__(self)
6888 
6889 
6890  def __repr__(self):
6891  """__repr__(Mass self) -> std::string"""
6892  return _IMP_atom.Mass___repr__(self)
6893 
6894  __swig_destroy__ = _IMP_atom.delete_Mass
6895  __del__ = lambda self: None
6896 Mass_swigregister = _IMP_atom.Mass_swigregister
6897 Mass_swigregister(Mass)
6898 
6899 def Mass_get_is_setup(*args):
6900  """
6901  get_is_setup(Model m, ParticleIndex pi) -> bool
6902  Mass_get_is_setup(_ParticleAdaptor p) -> bool
6903  """
6904  return _IMP_atom.Mass_get_is_setup(*args)
6905 
6906 def Mass_setup_particle(*args):
6907  """
6908  setup_particle(Model m, ParticleIndex pi, IMP::Float mass) -> Mass
6909  setup_particle(_ParticleAdaptor decorator, IMP::Float mass) -> Mass
6910  setup_particle(Model m, ParticleIndex pi, Mass other) -> Mass
6911  Mass_setup_particle(_ParticleAdaptor decorator, Mass other) -> Mass
6912  """
6913  return _IMP_atom.Mass_setup_particle(*args)
6914 
6915 def Mass_get_mass_key():
6916  """Mass_get_mass_key() -> FloatKey"""
6917  return _IMP_atom.Mass_get_mass_key()
6918 
6919 class BondedPairFilter(IMP.PairPredicate):
6920  """Proxy of C++ IMP::atom::BondedPairFilter class."""
6921 
6922  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6923 
6924  def __init__(self):
6925  """__init__(IMP::atom::BondedPairFilter self) -> BondedPairFilter"""
6926  this = _IMP_atom.new_BondedPairFilter()
6927  try:
6928  self.this.append(this)
6929  except __builtin__.Exception:
6930  self.this = this
6931 
6932  def do_get_inputs(self, m, pis):
6933  """do_get_inputs(BondedPairFilter self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6934  return _IMP_atom.BondedPairFilter_do_get_inputs(self, m, pis)
6935 
6936 
6937  def get_value(self, *args):
6938  """
6939  get_value(BondedPairFilter self, IMP::ParticlePair const & a) -> int
6940  get_value(BondedPairFilter self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
6941  """
6942  return _IMP_atom.BondedPairFilter_get_value(self, *args)
6943 
6944 
6945  def get_value_index(self, *args):
6946  """
6947  get_value_index(BondedPairFilter self, Model m, IMP::ParticleIndexPair const & p) -> int
6948  get_value_index(BondedPairFilter self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
6949  """
6950  return _IMP_atom.BondedPairFilter_get_value_index(self, *args)
6951 
6952 
6953  def get_version_info(self):
6954  """get_version_info(BondedPairFilter self) -> VersionInfo"""
6955  return _IMP_atom.BondedPairFilter_get_version_info(self)
6956 
6957 
6958  def __str__(self):
6959  """__str__(BondedPairFilter self) -> std::string"""
6960  return _IMP_atom.BondedPairFilter___str__(self)
6961 
6962 
6963  def __repr__(self):
6964  """__repr__(BondedPairFilter self) -> std::string"""
6965  return _IMP_atom.BondedPairFilter___repr__(self)
6966 
6967 
6968  @staticmethod
6969  def get_from(o):
6970  return _object_cast_to_BondedPairFilter(o)
6971 
6972 BondedPairFilter_swigregister = _IMP_atom.BondedPairFilter_swigregister
6973 BondedPairFilter_swigregister(BondedPairFilter)
6974 
6975 class Mol2Selector(IMP.Object):
6976  """Proxy of C++ IMP::atom::Mol2Selector class."""
6977 
6978  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6979 
6980  def __init__(self, *args, **kwargs):
6981  raise AttributeError("No constructor defined - class is abstract")
6982 
6983  def get_is_selected(self, atom_line):
6984  """get_is_selected(Mol2Selector self, std::string const & atom_line) -> bool"""
6985  return _IMP_atom.Mol2Selector_get_is_selected(self, atom_line)
6986 
6987  __swig_destroy__ = _IMP_atom.delete_Mol2Selector
6988  __del__ = lambda self: None
6989 
6990  def __str__(self):
6991  """__str__(Mol2Selector self) -> std::string"""
6992  return _IMP_atom.Mol2Selector___str__(self)
6993 
6994 
6995  def __repr__(self):
6996  """__repr__(Mol2Selector self) -> std::string"""
6997  return _IMP_atom.Mol2Selector___repr__(self)
6998 
6999 
7000  @staticmethod
7001  def get_from(o):
7002  return _object_cast_to_Mol2Selector(o)
7003 
7004 Mol2Selector_swigregister = _IMP_atom.Mol2Selector_swigregister
7005 Mol2Selector_swigregister(Mol2Selector)
7006 
7007 class AllMol2Selector(Mol2Selector):
7008  """Proxy of C++ IMP::atom::AllMol2Selector class."""
7009 
7010  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7011 
7012  def __str__(self):
7013  """__str__(AllMol2Selector self) -> std::string"""
7014  return _IMP_atom.AllMol2Selector___str__(self)
7015 
7016 
7017  def __repr__(self):
7018  """__repr__(AllMol2Selector self) -> std::string"""
7019  return _IMP_atom.AllMol2Selector___repr__(self)
7020 
7021 
7022  @staticmethod
7023  def get_from(o):
7024  return _object_cast_to_AllMol2Selector(o)
7025 
7026 
7027  def __init__(self):
7028  """__init__(IMP::atom::AllMol2Selector self) -> AllMol2Selector"""
7029  this = _IMP_atom.new_AllMol2Selector()
7030  try:
7031  self.this.append(this)
7032  except __builtin__.Exception:
7033  self.this = this
7034  __swig_destroy__ = _IMP_atom.delete_AllMol2Selector
7035  __del__ = lambda self: None
7036 AllMol2Selector_swigregister = _IMP_atom.AllMol2Selector_swigregister
7037 AllMol2Selector_swigregister(AllMol2Selector)
7038 
7039 class NonHydrogenMol2Selector(Mol2Selector):
7040  """Proxy of C++ IMP::atom::NonHydrogenMol2Selector class."""
7041 
7042  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7043 
7044  def __str__(self):
7045  """__str__(NonHydrogenMol2Selector self) -> std::string"""
7046  return _IMP_atom.NonHydrogenMol2Selector___str__(self)
7047 
7048 
7049  def __repr__(self):
7050  """__repr__(NonHydrogenMol2Selector self) -> std::string"""
7051  return _IMP_atom.NonHydrogenMol2Selector___repr__(self)
7052 
7053 
7054  @staticmethod
7055  def get_from(o):
7056  return _object_cast_to_NonHydrogenMol2Selector(o)
7057 
7058 
7059  def __init__(self):
7060  """__init__(IMP::atom::NonHydrogenMol2Selector self) -> NonHydrogenMol2Selector"""
7061  this = _IMP_atom.new_NonHydrogenMol2Selector()
7062  try:
7063  self.this.append(this)
7064  except __builtin__.Exception:
7065  self.this = this
7066  __swig_destroy__ = _IMP_atom.delete_NonHydrogenMol2Selector
7067  __del__ = lambda self: None
7068 NonHydrogenMol2Selector_swigregister = _IMP_atom.NonHydrogenMol2Selector_swigregister
7069 NonHydrogenMol2Selector_swigregister(NonHydrogenMol2Selector)
7070 
7071 
7072 def read_mol2(mol2_file, model, mol2sel=None):
7073  """
7074  read_mol2(TextInput mol2_file, Model model, Mol2Selector mol2sel=None) -> Hierarchy
7075  read_mol2(TextInput mol2_file, Model model) -> Hierarchy
7076  """
7077  return _IMP_atom.read_mol2(mol2_file, model, mol2sel)
7078 
7079 def write_mol2(rhd, file_name):
7080  """write_mol2(Hierarchy rhd, TextOutput file_name)"""
7081  return _IMP_atom.write_mol2(rhd, file_name)
7082 class SecondaryStructureResidue(IMP.Decorator):
7083  """Proxy of C++ IMP::atom::SecondaryStructureResidue class."""
7084 
7085  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7086 
7087  def __init__(self, *args):
7088  """
7089  __init__(IMP::atom::SecondaryStructureResidue self) -> SecondaryStructureResidue
7090  __init__(IMP::atom::SecondaryStructureResidue self, Model m, ParticleIndex id) -> SecondaryStructureResidue
7091  __init__(IMP::atom::SecondaryStructureResidue self, _ParticleAdaptor d) -> SecondaryStructureResidue
7092  """
7093  this = _IMP_atom.new_SecondaryStructureResidue(*args)
7094  try:
7095  self.this.append(this)
7096  except __builtin__.Exception:
7097  self.this = this
7098 
7099  def show(self, *args):
7100  """
7101  show(SecondaryStructureResidue self, _ostream out)
7102  show(SecondaryStructureResidue self)
7103  """
7104  return _IMP_atom.SecondaryStructureResidue_show(self, *args)
7105 
7106 
7107  def setup_particle(*args):
7108  """
7109  setup_particle(Model m, ParticleIndex pi, IMP::Float prob_helix, IMP::Float prob_strand, IMP::Float prob_coil) -> SecondaryStructureResidue
7110  setup_particle(_ParticleAdaptor decorator, IMP::Float prob_helix, IMP::Float prob_strand, IMP::Float prob_coil) -> SecondaryStructureResidue
7111  setup_particle(Particle res_p) -> SecondaryStructureResidue
7112  """
7113  return _IMP_atom.SecondaryStructureResidue_setup_particle(*args)
7114 
7115  setup_particle = staticmethod(setup_particle)
7116 
7117  def get_is_setup(*args):
7118  """
7119  get_is_setup(_ParticleAdaptor p) -> bool
7120  get_is_setup(Model m, ParticleIndex pi) -> bool
7121  """
7122  return _IMP_atom.SecondaryStructureResidue_get_is_setup(*args)
7123 
7124  get_is_setup = staticmethod(get_is_setup)
7125 
7126  def get_particle(self):
7127  """get_particle(SecondaryStructureResidue self) -> Particle"""
7128  return _IMP_atom.SecondaryStructureResidue_get_particle(self)
7129 
7130 
7131  def get_all_probabilities(self):
7132  """get_all_probabilities(SecondaryStructureResidue self) -> IMP::Floats"""
7133  return _IMP_atom.SecondaryStructureResidue_get_all_probabilities(self)
7134 
7135 
7136  def get_prob_helix(self):
7137  """get_prob_helix(SecondaryStructureResidue self) -> IMP::Float"""
7138  return _IMP_atom.SecondaryStructureResidue_get_prob_helix(self)
7139 
7140 
7141  def set_prob_helix(self, t):
7142  """set_prob_helix(SecondaryStructureResidue self, IMP::Float t)"""
7143  return _IMP_atom.SecondaryStructureResidue_set_prob_helix(self, t)
7144 
7145 
7146  def get_prob_strand(self):
7147  """get_prob_strand(SecondaryStructureResidue self) -> IMP::Float"""
7148  return _IMP_atom.SecondaryStructureResidue_get_prob_strand(self)
7149 
7150 
7151  def set_prob_strand(self, t):
7152  """set_prob_strand(SecondaryStructureResidue self, IMP::Float t)"""
7153  return _IMP_atom.SecondaryStructureResidue_set_prob_strand(self, t)
7154 
7155 
7156  def get_prob_coil(self):
7157  """get_prob_coil(SecondaryStructureResidue self) -> IMP::Float"""
7158  return _IMP_atom.SecondaryStructureResidue_get_prob_coil(self)
7159 
7160 
7161  def set_prob_coil(self, t):
7162  """set_prob_coil(SecondaryStructureResidue self, IMP::Float t)"""
7163  return _IMP_atom.SecondaryStructureResidue_set_prob_coil(self, t)
7164 
7165 
7166  def get_prob_helix_key():
7167  """get_prob_helix_key() -> FloatKey"""
7168  return _IMP_atom.SecondaryStructureResidue_get_prob_helix_key()
7169 
7170  get_prob_helix_key = staticmethod(get_prob_helix_key)
7171 
7172  def get_prob_strand_key():
7173  """get_prob_strand_key() -> FloatKey"""
7174  return _IMP_atom.SecondaryStructureResidue_get_prob_strand_key()
7175 
7176  get_prob_strand_key = staticmethod(get_prob_strand_key)
7177 
7178  def get_prob_coil_key():
7179  """get_prob_coil_key() -> FloatKey"""
7180  return _IMP_atom.SecondaryStructureResidue_get_prob_coil_key()
7181 
7182  get_prob_coil_key = staticmethod(get_prob_coil_key)
7183 
7184  def add_attribute(self, *args):
7185  """
7186  add_attribute(SecondaryStructureResidue self, FloatKey k, IMP::Float v, bool opt)
7187  add_attribute(SecondaryStructureResidue self, FloatKey a0, IMP::Float a1)
7188  add_attribute(SecondaryStructureResidue self, IntKey a0, IMP::Int a1)
7189  add_attribute(SecondaryStructureResidue self, StringKey a0, IMP::String a1)
7190  add_attribute(SecondaryStructureResidue self, ParticleIndexKey a0, Particle a1)
7191  add_attribute(SecondaryStructureResidue self, ObjectKey a0, Object a1)
7192  """
7193  return _IMP_atom.SecondaryStructureResidue_add_attribute(self, *args)
7194 
7195 
7196  def get_value(self, *args):
7197  """
7198  get_value(SecondaryStructureResidue self, FloatKey a0) -> IMP::Float
7199  get_value(SecondaryStructureResidue self, IntKey a0) -> IMP::Int
7200  get_value(SecondaryStructureResidue self, StringKey a0) -> IMP::String
7201  get_value(SecondaryStructureResidue self, ParticleIndexKey a0) -> Particle
7202  get_value(SecondaryStructureResidue self, ObjectKey a0) -> Object
7203  """
7204  return _IMP_atom.SecondaryStructureResidue_get_value(self, *args)
7205 
7206 
7207  def set_value(self, *args):
7208  """
7209  set_value(SecondaryStructureResidue self, FloatKey a0, IMP::Float a1)
7210  set_value(SecondaryStructureResidue self, IntKey a0, IMP::Int a1)
7211  set_value(SecondaryStructureResidue self, StringKey a0, IMP::String a1)
7212  set_value(SecondaryStructureResidue self, ParticleIndexKey a0, Particle a1)
7213  set_value(SecondaryStructureResidue self, ObjectKey a0, Object a1)
7214  """
7215  return _IMP_atom.SecondaryStructureResidue_set_value(self, *args)
7216 
7217 
7218  def remove_attribute(self, *args):
7219  """
7220  remove_attribute(SecondaryStructureResidue self, FloatKey a0)
7221  remove_attribute(SecondaryStructureResidue self, IntKey a0)
7222  remove_attribute(SecondaryStructureResidue self, StringKey a0)
7223  remove_attribute(SecondaryStructureResidue self, ParticleIndexKey a0)
7224  remove_attribute(SecondaryStructureResidue self, ObjectKey a0)
7225  """
7226  return _IMP_atom.SecondaryStructureResidue_remove_attribute(self, *args)
7227 
7228 
7229  def has_attribute(self, *args):
7230  """
7231  has_attribute(SecondaryStructureResidue self, FloatKey a0) -> bool
7232  has_attribute(SecondaryStructureResidue self, IntKey a0) -> bool
7233  has_attribute(SecondaryStructureResidue self, StringKey a0) -> bool
7234  has_attribute(SecondaryStructureResidue self, ParticleIndexKey a0) -> bool
7235  has_attribute(SecondaryStructureResidue self, ObjectKey a0) -> bool
7236  """
7237  return _IMP_atom.SecondaryStructureResidue_has_attribute(self, *args)
7238 
7239 
7240  def get_derivative(self, a0):
7241  """get_derivative(SecondaryStructureResidue self, FloatKey a0) -> double"""
7242  return _IMP_atom.SecondaryStructureResidue_get_derivative(self, a0)
7243 
7244 
7245  def get_name(self):
7246  """get_name(SecondaryStructureResidue self) -> std::string"""
7247  return _IMP_atom.SecondaryStructureResidue_get_name(self)
7248 
7249 
7250  def clear_caches(self):
7251  """clear_caches(SecondaryStructureResidue self)"""
7252  return _IMP_atom.SecondaryStructureResidue_clear_caches(self)
7253 
7254 
7255  def set_name(self, a0):
7256  """set_name(SecondaryStructureResidue self, std::string a0)"""
7257  return _IMP_atom.SecondaryStructureResidue_set_name(self, a0)
7258 
7259 
7260  def set_check_level(self, a0):
7261  """set_check_level(SecondaryStructureResidue self, IMP::CheckLevel a0)"""
7262  return _IMP_atom.SecondaryStructureResidue_set_check_level(self, a0)
7263 
7264 
7265  def add_to_derivative(self, a0, a1, a2):
7266  """add_to_derivative(SecondaryStructureResidue self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7267  return _IMP_atom.SecondaryStructureResidue_add_to_derivative(self, a0, a1, a2)
7268 
7269 
7270  def set_is_optimized(self, a0, a1):
7271  """set_is_optimized(SecondaryStructureResidue self, FloatKey a0, bool a1)"""
7272  return _IMP_atom.SecondaryStructureResidue_set_is_optimized(self, a0, a1)
7273 
7274 
7275  def get_is_optimized(self, a0):
7276  """get_is_optimized(SecondaryStructureResidue self, FloatKey a0) -> bool"""
7277  return _IMP_atom.SecondaryStructureResidue_get_is_optimized(self, a0)
7278 
7279 
7280  def get_check_level(self):
7281  """get_check_level(SecondaryStructureResidue self) -> IMP::CheckLevel"""
7282  return _IMP_atom.SecondaryStructureResidue_get_check_level(self)
7283 
7284 
7285  def __eq__(self, *args):
7286  """
7287  __eq__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
7288  __eq__(SecondaryStructureResidue self, Particle d) -> bool
7289  """
7290  return _IMP_atom.SecondaryStructureResidue___eq__(self, *args)
7291 
7292 
7293  def __ne__(self, *args):
7294  """
7295  __ne__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
7296  __ne__(SecondaryStructureResidue self, Particle d) -> bool
7297  """
7298  return _IMP_atom.SecondaryStructureResidue___ne__(self, *args)
7299 
7300 
7301  def __le__(self, *args):
7302  """
7303  __le__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
7304  __le__(SecondaryStructureResidue self, Particle d) -> bool
7305  """
7306  return _IMP_atom.SecondaryStructureResidue___le__(self, *args)
7307 
7308 
7309  def __lt__(self, *args):
7310  """
7311  __lt__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
7312  __lt__(SecondaryStructureResidue self, Particle d) -> bool
7313  """
7314  return _IMP_atom.SecondaryStructureResidue___lt__(self, *args)
7315 
7316 
7317  def __ge__(self, *args):
7318  """
7319  __ge__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
7320  __ge__(SecondaryStructureResidue self, Particle d) -> bool
7321  """
7322  return _IMP_atom.SecondaryStructureResidue___ge__(self, *args)
7323 
7324 
7325  def __gt__(self, *args):
7326  """
7327  __gt__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
7328  __gt__(SecondaryStructureResidue self, Particle d) -> bool
7329  """
7330  return _IMP_atom.SecondaryStructureResidue___gt__(self, *args)
7331 
7332 
7333  def __hash__(self):
7334  """__hash__(SecondaryStructureResidue self) -> std::size_t"""
7335  return _IMP_atom.SecondaryStructureResidue___hash__(self)
7336 
7337 
7338  def __str__(self):
7339  """__str__(SecondaryStructureResidue self) -> std::string"""
7340  return _IMP_atom.SecondaryStructureResidue___str__(self)
7341 
7342 
7343  def __repr__(self):
7344  """__repr__(SecondaryStructureResidue self) -> std::string"""
7345  return _IMP_atom.SecondaryStructureResidue___repr__(self)
7346 
7347  __swig_destroy__ = _IMP_atom.delete_SecondaryStructureResidue
7348  __del__ = lambda self: None
7349 SecondaryStructureResidue_swigregister = _IMP_atom.SecondaryStructureResidue_swigregister
7350 SecondaryStructureResidue_swigregister(SecondaryStructureResidue)
7351 
7352 def SecondaryStructureResidue_setup_particle(*args):
7353  """
7354  setup_particle(Model m, ParticleIndex pi, IMP::Float prob_helix, IMP::Float prob_strand, IMP::Float prob_coil) -> SecondaryStructureResidue
7355  setup_particle(_ParticleAdaptor decorator, IMP::Float prob_helix, IMP::Float prob_strand, IMP::Float prob_coil) -> SecondaryStructureResidue
7356  SecondaryStructureResidue_setup_particle(Particle res_p) -> SecondaryStructureResidue
7357  """
7358  return _IMP_atom.SecondaryStructureResidue_setup_particle(*args)
7359 
7360 def SecondaryStructureResidue_get_is_setup(*args):
7361  """
7362  get_is_setup(_ParticleAdaptor p) -> bool
7363  SecondaryStructureResidue_get_is_setup(Model m, ParticleIndex pi) -> bool
7364  """
7365  return _IMP_atom.SecondaryStructureResidue_get_is_setup(*args)
7366 
7367 def SecondaryStructureResidue_get_prob_helix_key():
7368  """SecondaryStructureResidue_get_prob_helix_key() -> FloatKey"""
7369  return _IMP_atom.SecondaryStructureResidue_get_prob_helix_key()
7370 
7371 def SecondaryStructureResidue_get_prob_strand_key():
7372  """SecondaryStructureResidue_get_prob_strand_key() -> FloatKey"""
7373  return _IMP_atom.SecondaryStructureResidue_get_prob_strand_key()
7374 
7375 def SecondaryStructureResidue_get_prob_coil_key():
7376  """SecondaryStructureResidue_get_prob_coil_key() -> FloatKey"""
7377  return _IMP_atom.SecondaryStructureResidue_get_prob_coil_key()
7378 
7379 
7380 def setup_coarse_secondary_structure_residue(ssr_ps, mdl, winner_takes_all_per_res=False):
7381  """
7382  setup_coarse_secondary_structure_residue(IMP::Particles const & ssr_ps, Model mdl, bool winner_takes_all_per_res=False) -> SecondaryStructureResidue
7383  setup_coarse_secondary_structure_residue(IMP::Particles const & ssr_ps, Model mdl) -> SecondaryStructureResidue
7384  """
7385  return _IMP_atom.setup_coarse_secondary_structure_residue(ssr_ps, mdl, winner_takes_all_per_res)
7386 
7387 def setup_coarse_secondary_structure_residues(ssr_ps, mdl, coarse_factor, start_res_num, winner_takes_all_per_res=False):
7388  """
7389  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
7390  setup_coarse_secondary_structure_residues(IMP::Particles const & ssr_ps, Model mdl, int coarse_factor, int start_res_num) -> IMP::atom::SecondaryStructureResidues
7391  """
7392  return _IMP_atom.setup_coarse_secondary_structure_residues(ssr_ps, mdl, coarse_factor, start_res_num, winner_takes_all_per_res)
7393 
7394 def get_secondary_structure_match_score(ssr1, ssr2):
7395  """get_secondary_structure_match_score(SecondaryStructureResidue ssr1, SecondaryStructureResidue ssr2) -> IMP::Float"""
7396  return _IMP_atom.get_secondary_structure_match_score(ssr1, ssr2)
7397 
7398 def read_psipred(*args):
7399  """
7400  read_psipred(TextInput inf, Model mdl) -> IMP::atom::SecondaryStructureResidues
7401  read_psipred(TextInput inf, IMP::Particles ps) -> IMP::atom::SecondaryStructureResidues
7402  """
7403  return _IMP_atom.read_psipred(*args)
7404 class _ADopeBase(IMP.PairScore):
7405  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::Dope)> class."""
7406 
7407  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7408  __repr__ = _swig_repr
7409 
7410  def __init__(self, *args):
7411  """
7412  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::Dope)> self, Dope t0, std::string name) -> _ADopeBase
7413  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::Dope)> self, Dope t0) -> _ADopeBase
7414  """
7415  this = _IMP_atom.new__ADopeBase(*args)
7416  try:
7417  self.this.append(this)
7418  except __builtin__.Exception:
7419  self.this = this
7420 
7421  def do_get_inputs(self, m, pis):
7422  """do_get_inputs(_ADopeBase self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7423  return _IMP_atom._ADopeBase_do_get_inputs(self, m, pis)
7424 
7425 
7426  def get_score_functor(self):
7427  """get_score_functor(_ADopeBase self) -> Dope"""
7428  return _IMP_atom._ADopeBase_get_score_functor(self)
7429 
7430 
7431  def get_version_info(self):
7432  """get_version_info(_ADopeBase self) -> VersionInfo"""
7433  return _IMP_atom._ADopeBase_get_version_info(self)
7434 
7435 _ADopeBase_swigregister = _IMP_atom._ADopeBase_swigregister
7436 _ADopeBase_swigregister(_ADopeBase)
7437 
7438 class _BDopeBase(IMP.PairScore):
7439  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::Statistical<(IMP::atom::DopeType,false,true,false)>)> class."""
7440 
7441  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7442  __repr__ = _swig_repr
7443 
7444  def __init__(self, *args):
7445  """
7446  __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
7447  __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
7448  """
7449  this = _IMP_atom.new__BDopeBase(*args)
7450  try:
7451  self.this.append(this)
7452  except __builtin__.Exception:
7453  self.this = this
7454 
7455  def do_get_inputs(self, m, pis):
7456  """do_get_inputs(_BDopeBase self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7457  return _IMP_atom._BDopeBase_do_get_inputs(self, m, pis)
7458 
7459 
7460  def get_score_functor(self):
7461  """get_score_functor(_BDopeBase self) -> _DopeBase"""
7462  return _IMP_atom._BDopeBase_get_score_functor(self)
7463 
7464 
7465  def get_version_info(self):
7466  """get_version_info(_BDopeBase self) -> VersionInfo"""
7467  return _IMP_atom._BDopeBase_get_version_info(self)
7468 
7469 _BDopeBase_swigregister = _IMP_atom._BDopeBase_swigregister
7470 _BDopeBase_swigregister(_BDopeBase)
7471 
7472 class _OrientedSoapBase(IMP.PairScore):
7473  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::OrientedSoap)> class."""
7474 
7475  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7476  __repr__ = _swig_repr
7477 
7478  def __init__(self, *args):
7479  """
7480  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::OrientedSoap)> self, IMP::score_functor::DistancePairScore< IMP::score_functor::OrientedSoap >::DistanceScore const & t0, std::string name) -> _OrientedSoapBase
7481  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::OrientedSoap)> self, IMP::score_functor::DistancePairScore< IMP::score_functor::OrientedSoap >::DistanceScore const & t0) -> _OrientedSoapBase
7482  """
7483  this = _IMP_atom.new__OrientedSoapBase(*args)
7484  try:
7485  self.this.append(this)
7486  except __builtin__.Exception:
7487  self.this = this
7488 
7489  def do_get_inputs(self, m, pis):
7490  """do_get_inputs(_OrientedSoapBase self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7491  return _IMP_atom._OrientedSoapBase_do_get_inputs(self, m, pis)
7492 
7493 
7494  def get_score_functor(self):
7495  """get_score_functor(_OrientedSoapBase self) -> IMP::score_functor::OrientedSoap &"""
7496  return _IMP_atom._OrientedSoapBase_get_score_functor(self)
7497 
7498 
7499  def get_version_info(self):
7500  """get_version_info(_OrientedSoapBase self) -> VersionInfo"""
7501  return _IMP_atom._OrientedSoapBase_get_version_info(self)
7502 
7503 _OrientedSoapBase_swigregister = _IMP_atom._OrientedSoapBase_swigregister
7504 _OrientedSoapBase_swigregister(_OrientedSoapBase)
7505 
7506 class _SPSFTB(IMP.PairScore):
7507  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::Statistical<(IMP::atom::ProteinLigandType,true,false)>)> class."""
7508 
7509  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7510  __repr__ = _swig_repr
7511 
7512  def __init__(self, *args):
7513  """
7514  __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
7515  __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
7516  """
7517  this = _IMP_atom.new__SPSFTB(*args)
7518  try:
7519  self.this.append(this)
7520  except __builtin__.Exception:
7521  self.this = this
7522 
7523  def do_get_inputs(self, m, pis):
7524  """do_get_inputs(_SPSFTB self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7525  return _IMP_atom._SPSFTB_do_get_inputs(self, m, pis)
7526 
7527 
7528  def get_score_functor(self):
7529  """get_score_functor(_SPSFTB self) -> IMP::score_functor::Statistical< IMP::atom::ProteinLigandType,true,false,false > &"""
7530  return _IMP_atom._SPSFTB_get_score_functor(self)
7531 
7532 
7533  def get_version_info(self):
7534  """get_version_info(_SPSFTB self) -> VersionInfo"""
7535  return _IMP_atom._SPSFTB_get_version_info(self)
7536 
7537 _SPSFTB_swigregister = _IMP_atom._SPSFTB_swigregister
7538 _SPSFTB_swigregister(_SPSFTB)
7539 
7540 class _SPSTF(_SPSFTB):
7541  """Proxy of C++ IMP::core::StatisticalPairScore<(IMP::atom::ProteinLigandType,true,false)> class."""
7542 
7543  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7544  __repr__ = _swig_repr
7545 
7546  def __init__(self, *args):
7547  """
7548  __init__(IMP::core::StatisticalPairScore<(IMP::atom::ProteinLigandType,true,false)> self, IntKey k, double threshold, TextInput data_file) -> _SPSTF
7549  __init__(IMP::core::StatisticalPairScore<(IMP::atom::ProteinLigandType,true,false)> self, IntKey k, double threshold, TextInput data_file, unsigned int shift) -> _SPSTF
7550  """
7551  this = _IMP_atom.new__SPSTF(*args)
7552  try:
7553  self.this.append(this)
7554  except __builtin__.Exception:
7555  self.this = this
7556  __swig_destroy__ = _IMP_atom.delete__SPSTF
7557  __del__ = lambda self: None
7558 _SPSTF_swigregister = _IMP_atom._SPSTF_swigregister
7559 _SPSTF_swigregister(_SPSTF)
7560 
7561 class _SPSFT(_BDopeBase):
7562  """Proxy of C++ IMP::core::StatisticalPairScore<(IMP::atom::DopeType,false,true)> class."""
7563 
7564  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7565  __repr__ = _swig_repr
7566 
7567  def __init__(self, *args):
7568  """
7569  __init__(IMP::core::StatisticalPairScore<(IMP::atom::DopeType,false,true)> self, IntKey k, double threshold, TextInput data_file) -> _SPSFT
7570  __init__(IMP::core::StatisticalPairScore<(IMP::atom::DopeType,false,true)> self, IntKey k, double threshold, TextInput data_file, unsigned int shift) -> _SPSFT
7571  """
7572  this = _IMP_atom.new__SPSFT(*args)
7573  try:
7574  self.this.append(this)
7575  except __builtin__.Exception:
7576  self.this = this
7577  __swig_destroy__ = _IMP_atom.delete__SPSFT
7578  __del__ = lambda self: None
7579 _SPSFT_swigregister = _IMP_atom._SPSFT_swigregister
7580 _SPSFT_swigregister(_SPSFT)
7581 
7582 class ProteinLigandAtomPairScore(_SPSTF):
7583  """Proxy of C++ IMP::atom::ProteinLigandAtomPairScore class."""
7584 
7585  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7586 
7587  def __init__(self, *args):
7588  """
7589  __init__(IMP::atom::ProteinLigandAtomPairScore self, double threshold) -> ProteinLigandAtomPairScore
7590  __init__(IMP::atom::ProteinLigandAtomPairScore self) -> ProteinLigandAtomPairScore
7591  __init__(IMP::atom::ProteinLigandAtomPairScore self, double threshold, TextInput data_file) -> ProteinLigandAtomPairScore
7592  """
7593  this = _IMP_atom.new_ProteinLigandAtomPairScore(*args)
7594  try:
7595  self.this.append(this)
7596  except __builtin__.Exception:
7597  self.this = this
7598 
7599  def get_maximum_distance(self):
7600  """get_maximum_distance(ProteinLigandAtomPairScore self) -> double"""
7601  return _IMP_atom.ProteinLigandAtomPairScore_get_maximum_distance(self)
7602 
7603 
7604  def __str__(self):
7605  """__str__(ProteinLigandAtomPairScore self) -> std::string"""
7606  return _IMP_atom.ProteinLigandAtomPairScore___str__(self)
7607 
7608 
7609  def __repr__(self):
7610  """__repr__(ProteinLigandAtomPairScore self) -> std::string"""
7611  return _IMP_atom.ProteinLigandAtomPairScore___repr__(self)
7612 
7613 
7614  @staticmethod
7615  def get_from(o):
7616  return _object_cast_to_ProteinLigandAtomPairScore(o)
7617 
7618  __swig_destroy__ = _IMP_atom.delete_ProteinLigandAtomPairScore
7619  __del__ = lambda self: None
7620 ProteinLigandAtomPairScore_swigregister = _IMP_atom.ProteinLigandAtomPairScore_swigregister
7621 ProteinLigandAtomPairScore_swigregister(ProteinLigandAtomPairScore)
7622 
7623 class ProteinLigandRestraint(IMP.container.PairsRestraint):
7624  """Proxy of C++ IMP::atom::ProteinLigandRestraint class."""
7625 
7626  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7627 
7628  def __init__(self, *args):
7629  """
7630  __init__(IMP::atom::ProteinLigandRestraint self, Hierarchy protein, Hierarchy ligand, double threshold) -> ProteinLigandRestraint
7631  __init__(IMP::atom::ProteinLigandRestraint self, Hierarchy protein, Hierarchy ligand) -> ProteinLigandRestraint
7632  __init__(IMP::atom::ProteinLigandRestraint self, Hierarchy protein, Hierarchy ligand, double threshold, TextInput data_file) -> ProteinLigandRestraint
7633  """
7634  this = _IMP_atom.new_ProteinLigandRestraint(*args)
7635  try:
7636  self.this.append(this)
7637  except __builtin__.Exception:
7638  self.this = this
7639 
7640  def __str__(self):
7641  """__str__(ProteinLigandRestraint self) -> std::string"""
7642  return _IMP_atom.ProteinLigandRestraint___str__(self)
7643 
7644 
7645  def __repr__(self):
7646  """__repr__(ProteinLigandRestraint self) -> std::string"""
7647  return _IMP_atom.ProteinLigandRestraint___repr__(self)
7648 
7649 
7650  @staticmethod
7651  def get_from(o):
7652  return _object_cast_to_ProteinLigandRestraint(o)
7653 
7654  __swig_destroy__ = _IMP_atom.delete_ProteinLigandRestraint
7655  __del__ = lambda self: None
7656 ProteinLigandRestraint_swigregister = _IMP_atom.ProteinLigandRestraint_swigregister
7657 ProteinLigandRestraint_swigregister(ProteinLigandRestraint)
7658 
7659 
7661  """add_protein_ligand_score_data(Hierarchy h)"""
7662  return _IMP_atom.add_protein_ligand_score_data(h)
7663 class AtomType(IMP._Value):
7664  """Proxy of C++ IMP::Key<(8974343)> class."""
7665 
7666  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7667 
7668  def __init__(self, *args):
7669  """
7670  __init__(IMP::Key<(8974343)> self) -> AtomType
7671  __init__(IMP::Key<(8974343)> self, std::string const & c, bool is_implicit_add_permitted=True) -> AtomType
7672  __init__(IMP::Key<(8974343)> self, std::string const & c) -> AtomType
7673  __init__(IMP::Key<(8974343)> self, unsigned int i) -> AtomType
7674  """
7675  this = _IMP_atom.new_AtomType(*args)
7676  try:
7677  self.this.append(this)
7678  except __builtin__.Exception:
7679  self.this = this
7680 
7681  def add_key(sc):
7682  """add_key(std::string sc) -> unsigned int"""
7683  return _IMP_atom.AtomType_add_key(sc)
7684 
7685  add_key = staticmethod(add_key)
7686 
7687  def get_key_exists(sc):
7688  """get_key_exists(std::string sc) -> bool"""
7689  return _IMP_atom.AtomType_get_key_exists(sc)
7690 
7691  get_key_exists = staticmethod(get_key_exists)
7692 
7693  def get_string(self):
7694  """get_string(AtomType self) -> std::string const"""
7695  return _IMP_atom.AtomType_get_string(self)
7696 
7697 
7698  def __cmp__(self, o):
7699  """__cmp__(AtomType self, AtomType o) -> int"""
7700  return _IMP_atom.AtomType___cmp__(self, o)
7701 
7702 
7703  def __eq__(self, o):
7704  """__eq__(AtomType self, AtomType o) -> bool"""
7705  return _IMP_atom.AtomType___eq__(self, o)
7706 
7707 
7708  def __ne__(self, o):
7709  """__ne__(AtomType self, AtomType o) -> bool"""
7710  return _IMP_atom.AtomType___ne__(self, o)
7711 
7712 
7713  def __lt__(self, o):
7714  """__lt__(AtomType self, AtomType o) -> bool"""
7715  return _IMP_atom.AtomType___lt__(self, o)
7716 
7717 
7718  def __gt__(self, o):
7719  """__gt__(AtomType self, AtomType o) -> bool"""
7720  return _IMP_atom.AtomType___gt__(self, o)
7721 
7722 
7723  def __ge__(self, o):
7724  """__ge__(AtomType self, AtomType o) -> bool"""
7725  return _IMP_atom.AtomType___ge__(self, o)
7726 
7727 
7728  def __le__(self, o):
7729  """__le__(AtomType self, AtomType o) -> bool"""
7730  return _IMP_atom.AtomType___le__(self, o)
7731 
7732 
7733  def __hash__(self):
7734  """__hash__(AtomType self) -> std::size_t"""
7735  return _IMP_atom.AtomType___hash__(self)
7736 
7737 
7738  def show(self, *args):
7739  """
7740  show(AtomType self, _ostream out)
7741  show(AtomType self)
7742  """
7743  return _IMP_atom.AtomType_show(self, *args)
7744 
7745 
7746  def add_alias(old_key, new_name):
7747  """add_alias(AtomType old_key, std::string new_name) -> AtomType"""
7748  return _IMP_atom.AtomType_add_alias(old_key, new_name)
7749 
7750  add_alias = staticmethod(add_alias)
7751 
7752  def get_number_of_keys():
7753  """get_number_of_keys() -> unsigned int"""
7754  return _IMP_atom.AtomType_get_number_of_keys()
7755 
7756  get_number_of_keys = staticmethod(get_number_of_keys)
7757 
7758  def get_index(self):
7759  """get_index(AtomType self) -> unsigned int"""
7760  return _IMP_atom.AtomType_get_index(self)
7761 
7762 
7763  def show_all(out):
7764  """show_all(_ostream out)"""
7765  return _IMP_atom.AtomType_show_all(out)
7766 
7767  show_all = staticmethod(show_all)
7768 
7769  def get_all_strings():
7770  """get_all_strings() -> IMP::Vector< std::string >"""
7771  return _IMP_atom.AtomType_get_all_strings()
7772 
7773  get_all_strings = staticmethod(get_all_strings)
7774 
7775  def get_number_unique():
7776  """get_number_unique() -> unsigned int"""
7777  return _IMP_atom.AtomType_get_number_unique()
7778 
7779  get_number_unique = staticmethod(get_number_unique)
7780 
7781  def __str__(self):
7782  """__str__(AtomType self) -> std::string"""
7783  return _IMP_atom.AtomType___str__(self)
7784 
7785 
7786  def __repr__(self):
7787  """__repr__(AtomType self) -> std::string"""
7788  return _IMP_atom.AtomType___repr__(self)
7789 
7790  __swig_destroy__ = _IMP_atom.delete_AtomType
7791  __del__ = lambda self: None
7792 AtomType_swigregister = _IMP_atom.AtomType_swigregister
7793 AtomType_swigregister(AtomType)
7794 
7795 def AtomType_add_key(sc):
7796  """AtomType_add_key(std::string sc) -> unsigned int"""
7797  return _IMP_atom.AtomType_add_key(sc)
7798 
7799 def AtomType_get_key_exists(sc):
7800  """AtomType_get_key_exists(std::string sc) -> bool"""
7801  return _IMP_atom.AtomType_get_key_exists(sc)
7802 
7803 def AtomType_add_alias(old_key, new_name):
7804  """AtomType_add_alias(AtomType old_key, std::string new_name) -> AtomType"""
7805  return _IMP_atom.AtomType_add_alias(old_key, new_name)
7806 
7807 def AtomType_get_number_of_keys():
7808  """AtomType_get_number_of_keys() -> unsigned int"""
7809  return _IMP_atom.AtomType_get_number_of_keys()
7810 
7811 def AtomType_show_all(out):
7812  """AtomType_show_all(_ostream out)"""
7813  return _IMP_atom.AtomType_show_all(out)
7814 
7815 def AtomType_get_all_strings():
7816  """AtomType_get_all_strings() -> IMP::Vector< std::string >"""
7817  return _IMP_atom.AtomType_get_all_strings()
7818 
7819 def AtomType_get_number_unique():
7820  """AtomType_get_number_unique() -> unsigned int"""
7821  return _IMP_atom.AtomType_get_number_unique()
7822 
7823 class ResidueType(IMP._Value):
7824  """Proxy of C++ IMP::Key<(90784334)> class."""
7825 
7826  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7827 
7828  def __init__(self, *args):
7829  """
7830  __init__(IMP::Key<(90784334)> self) -> ResidueType
7831  __init__(IMP::Key<(90784334)> self, std::string const & c, bool is_implicit_add_permitted=True) -> ResidueType
7832  __init__(IMP::Key<(90784334)> self, std::string const & c) -> ResidueType
7833  __init__(IMP::Key<(90784334)> self, unsigned int i) -> ResidueType
7834  """
7835  this = _IMP_atom.new_ResidueType(*args)
7836  try:
7837  self.this.append(this)
7838  except __builtin__.Exception:
7839  self.this = this
7840 
7841  def add_key(sc):
7842  """add_key(std::string sc) -> unsigned int"""
7843  return _IMP_atom.ResidueType_add_key(sc)
7844 
7845  add_key = staticmethod(add_key)
7846 
7847  def get_key_exists(sc):
7848  """get_key_exists(std::string sc) -> bool"""
7849  return _IMP_atom.ResidueType_get_key_exists(sc)
7850 
7851  get_key_exists = staticmethod(get_key_exists)
7852 
7853  def get_string(self):
7854  """get_string(ResidueType self) -> std::string const"""
7855  return _IMP_atom.ResidueType_get_string(self)
7856 
7857 
7858  def __cmp__(self, o):
7859  """__cmp__(ResidueType self, ResidueType o) -> int"""
7860  return _IMP_atom.ResidueType___cmp__(self, o)
7861 
7862 
7863  def __eq__(self, o):
7864  """__eq__(ResidueType self, ResidueType o) -> bool"""
7865  return _IMP_atom.ResidueType___eq__(self, o)
7866 
7867 
7868  def __ne__(self, o):
7869  """__ne__(ResidueType self, ResidueType o) -> bool"""
7870  return _IMP_atom.ResidueType___ne__(self, o)
7871 
7872 
7873  def __lt__(self, o):
7874  """__lt__(ResidueType self, ResidueType o) -> bool"""
7875  return _IMP_atom.ResidueType___lt__(self, o)
7876 
7877 
7878  def __gt__(self, o):
7879  """__gt__(ResidueType self, ResidueType o) -> bool"""
7880  return _IMP_atom.ResidueType___gt__(self, o)
7881 
7882 
7883  def __ge__(self, o):
7884  """__ge__(ResidueType self, ResidueType o) -> bool"""
7885  return _IMP_atom.ResidueType___ge__(self, o)
7886 
7887 
7888  def __le__(self, o):
7889  """__le__(ResidueType self, ResidueType o) -> bool"""
7890  return _IMP_atom.ResidueType___le__(self, o)
7891 
7892 
7893  def __hash__(self):
7894  """__hash__(ResidueType self) -> std::size_t"""
7895  return _IMP_atom.ResidueType___hash__(self)
7896 
7897 
7898  def show(self, *args):
7899  """
7900  show(ResidueType self, _ostream out)
7901  show(ResidueType self)
7902  """
7903  return _IMP_atom.ResidueType_show(self, *args)
7904 
7905 
7906  def add_alias(old_key, new_name):
7907  """add_alias(ResidueType old_key, std::string new_name) -> ResidueType"""
7908  return _IMP_atom.ResidueType_add_alias(old_key, new_name)
7909 
7910  add_alias = staticmethod(add_alias)
7911 
7912  def get_number_of_keys():
7913  """get_number_of_keys() -> unsigned int"""
7914  return _IMP_atom.ResidueType_get_number_of_keys()
7915 
7916  get_number_of_keys = staticmethod(get_number_of_keys)
7917 
7918  def get_index(self):
7919  """get_index(ResidueType self) -> unsigned int"""
7920  return _IMP_atom.ResidueType_get_index(self)
7921 
7922 
7923  def show_all(out):
7924  """show_all(_ostream out)"""
7925  return _IMP_atom.ResidueType_show_all(out)
7926 
7927  show_all = staticmethod(show_all)
7928 
7929  def get_all_strings():
7930  """get_all_strings() -> IMP::Vector< std::string >"""
7931  return _IMP_atom.ResidueType_get_all_strings()
7932 
7933  get_all_strings = staticmethod(get_all_strings)
7934 
7935  def get_number_unique():
7936  """get_number_unique() -> unsigned int"""
7937  return _IMP_atom.ResidueType_get_number_unique()
7938 
7939  get_number_unique = staticmethod(get_number_unique)
7940 
7941  def __str__(self):
7942  """__str__(ResidueType self) -> std::string"""
7943  return _IMP_atom.ResidueType___str__(self)
7944 
7945 
7946  def __repr__(self):
7947  """__repr__(ResidueType self) -> std::string"""
7948  return _IMP_atom.ResidueType___repr__(self)
7949 
7950  __swig_destroy__ = _IMP_atom.delete_ResidueType
7951  __del__ = lambda self: None
7952 ResidueType_swigregister = _IMP_atom.ResidueType_swigregister
7953 ResidueType_swigregister(ResidueType)
7954 
7955 def ResidueType_add_key(sc):
7956  """ResidueType_add_key(std::string sc) -> unsigned int"""
7957  return _IMP_atom.ResidueType_add_key(sc)
7958 
7959 def ResidueType_get_key_exists(sc):
7960  """ResidueType_get_key_exists(std::string sc) -> bool"""
7961  return _IMP_atom.ResidueType_get_key_exists(sc)
7962 
7963 def ResidueType_add_alias(old_key, new_name):
7964  """ResidueType_add_alias(ResidueType old_key, std::string new_name) -> ResidueType"""
7965  return _IMP_atom.ResidueType_add_alias(old_key, new_name)
7966 
7967 def ResidueType_get_number_of_keys():
7968  """ResidueType_get_number_of_keys() -> unsigned int"""
7969  return _IMP_atom.ResidueType_get_number_of_keys()
7970 
7971 def ResidueType_show_all(out):
7972  """ResidueType_show_all(_ostream out)"""
7973  return _IMP_atom.ResidueType_show_all(out)
7974 
7975 def ResidueType_get_all_strings():
7976  """ResidueType_get_all_strings() -> IMP::Vector< std::string >"""
7977  return _IMP_atom.ResidueType_get_all_strings()
7978 
7979 def ResidueType_get_number_unique():
7980  """ResidueType_get_number_unique() -> unsigned int"""
7981  return _IMP_atom.ResidueType_get_number_unique()
7982 
7983 class ChainType(IMP._Value):
7984  """Proxy of C++ IMP::Key<(90784336)> class."""
7985 
7986  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7987 
7988  def __init__(self, *args):
7989  """
7990  __init__(IMP::Key<(90784336)> self) -> ChainType
7991  __init__(IMP::Key<(90784336)> self, std::string const & c, bool is_implicit_add_permitted=True) -> ChainType
7992  __init__(IMP::Key<(90784336)> self, std::string const & c) -> ChainType
7993  __init__(IMP::Key<(90784336)> self, unsigned int i) -> ChainType
7994  """
7995  this = _IMP_atom.new_ChainType(*args)
7996  try:
7997  self.this.append(this)
7998  except __builtin__.Exception:
7999  self.this = this
8000 
8001  def add_key(sc):
8002  """add_key(std::string sc) -> unsigned int"""
8003  return _IMP_atom.ChainType_add_key(sc)
8004 
8005  add_key = staticmethod(add_key)
8006 
8007  def get_key_exists(sc):
8008  """get_key_exists(std::string sc) -> bool"""
8009  return _IMP_atom.ChainType_get_key_exists(sc)
8010 
8011  get_key_exists = staticmethod(get_key_exists)
8012 
8013  def get_string(self):
8014  """get_string(ChainType self) -> std::string const"""
8015  return _IMP_atom.ChainType_get_string(self)
8016 
8017 
8018  def __cmp__(self, o):
8019  """__cmp__(ChainType self, ChainType o) -> int"""
8020  return _IMP_atom.ChainType___cmp__(self, o)
8021 
8022 
8023  def __eq__(self, o):
8024  """__eq__(ChainType self, ChainType o) -> bool"""
8025  return _IMP_atom.ChainType___eq__(self, o)
8026 
8027 
8028  def __ne__(self, o):
8029  """__ne__(ChainType self, ChainType o) -> bool"""
8030  return _IMP_atom.ChainType___ne__(self, o)
8031 
8032 
8033  def __lt__(self, o):
8034  """__lt__(ChainType self, ChainType o) -> bool"""
8035  return _IMP_atom.ChainType___lt__(self, o)
8036 
8037 
8038  def __gt__(self, o):
8039  """__gt__(ChainType self, ChainType o) -> bool"""
8040  return _IMP_atom.ChainType___gt__(self, o)
8041 
8042 
8043  def __ge__(self, o):
8044  """__ge__(ChainType self, ChainType o) -> bool"""
8045  return _IMP_atom.ChainType___ge__(self, o)
8046 
8047 
8048  def __le__(self, o):
8049  """__le__(ChainType self, ChainType o) -> bool"""
8050  return _IMP_atom.ChainType___le__(self, o)
8051 
8052 
8053  def __hash__(self):
8054  """__hash__(ChainType self) -> std::size_t"""
8055  return _IMP_atom.ChainType___hash__(self)
8056 
8057 
8058  def show(self, *args):
8059  """
8060  show(ChainType self, _ostream out)
8061  show(ChainType self)
8062  """
8063  return _IMP_atom.ChainType_show(self, *args)
8064 
8065 
8066  def add_alias(old_key, new_name):
8067  """add_alias(ChainType old_key, std::string new_name) -> ChainType"""
8068  return _IMP_atom.ChainType_add_alias(old_key, new_name)
8069 
8070  add_alias = staticmethod(add_alias)
8071 
8072  def get_number_of_keys():
8073  """get_number_of_keys() -> unsigned int"""
8074  return _IMP_atom.ChainType_get_number_of_keys()
8075 
8076  get_number_of_keys = staticmethod(get_number_of_keys)
8077 
8078  def get_index(self):
8079  """get_index(ChainType self) -> unsigned int"""
8080  return _IMP_atom.ChainType_get_index(self)
8081 
8082 
8083  def show_all(out):
8084  """show_all(_ostream out)"""
8085  return _IMP_atom.ChainType_show_all(out)
8086 
8087  show_all = staticmethod(show_all)
8088 
8089  def get_all_strings():
8090  """get_all_strings() -> IMP::Vector< std::string >"""
8091  return _IMP_atom.ChainType_get_all_strings()
8092 
8093  get_all_strings = staticmethod(get_all_strings)
8094 
8095  def get_number_unique():
8096  """get_number_unique() -> unsigned int"""
8097  return _IMP_atom.ChainType_get_number_unique()
8098 
8099  get_number_unique = staticmethod(get_number_unique)
8100 
8101  def __str__(self):
8102  """__str__(ChainType self) -> std::string"""
8103  return _IMP_atom.ChainType___str__(self)
8104 
8105 
8106  def __repr__(self):
8107  """__repr__(ChainType self) -> std::string"""
8108  return _IMP_atom.ChainType___repr__(self)
8109 
8110  __swig_destroy__ = _IMP_atom.delete_ChainType
8111  __del__ = lambda self: None
8112 ChainType_swigregister = _IMP_atom.ChainType_swigregister
8113 ChainType_swigregister(ChainType)
8114 
8115 def ChainType_add_key(sc):
8116  """ChainType_add_key(std::string sc) -> unsigned int"""
8117  return _IMP_atom.ChainType_add_key(sc)
8118 
8119 def ChainType_get_key_exists(sc):
8120  """ChainType_get_key_exists(std::string sc) -> bool"""
8121  return _IMP_atom.ChainType_get_key_exists(sc)
8122 
8123 def ChainType_add_alias(old_key, new_name):
8124  """ChainType_add_alias(ChainType old_key, std::string new_name) -> ChainType"""
8125  return _IMP_atom.ChainType_add_alias(old_key, new_name)
8126 
8127 def ChainType_get_number_of_keys():
8128  """ChainType_get_number_of_keys() -> unsigned int"""
8129  return _IMP_atom.ChainType_get_number_of_keys()
8130 
8131 def ChainType_show_all(out):
8132  """ChainType_show_all(_ostream out)"""
8133  return _IMP_atom.ChainType_show_all(out)
8134 
8135 def ChainType_get_all_strings():
8136  """ChainType_get_all_strings() -> IMP::Vector< std::string >"""
8137  return _IMP_atom.ChainType_get_all_strings()
8138 
8139 def ChainType_get_number_unique():
8140  """ChainType_get_number_unique() -> unsigned int"""
8141  return _IMP_atom.ChainType_get_number_unique()
8142 
8143 UNKNOWN_ELEMENT = _IMP_atom.UNKNOWN_ELEMENT
8144 OH = _IMP_atom.OH
8145 H2O = _IMP_atom.H2O
8146 H = _IMP_atom.H
8147 He = _IMP_atom.He
8148 Li = _IMP_atom.Li
8149 Be = _IMP_atom.Be
8150 B = _IMP_atom.B
8151 C = _IMP_atom.C
8152 N = _IMP_atom.N
8153 O = _IMP_atom.O
8154 F = _IMP_atom.F
8155 Ne = _IMP_atom.Ne
8156 Na = _IMP_atom.Na
8157 Mg = _IMP_atom.Mg
8158 Al = _IMP_atom.Al
8159 Si = _IMP_atom.Si
8160 P = _IMP_atom.P
8161 S = _IMP_atom.S
8162 Cl = _IMP_atom.Cl
8163 Ar = _IMP_atom.Ar
8164 K = _IMP_atom.K
8165 Ca = _IMP_atom.Ca
8166 Sc = _IMP_atom.Sc
8167 Ti = _IMP_atom.Ti
8168 V = _IMP_atom.V
8169 Cr = _IMP_atom.Cr
8170 Mn = _IMP_atom.Mn
8171 Fe = _IMP_atom.Fe
8172 Co = _IMP_atom.Co
8173 Ni = _IMP_atom.Ni
8174 Cu = _IMP_atom.Cu
8175 Zn = _IMP_atom.Zn
8176 Ga = _IMP_atom.Ga
8177 Ge = _IMP_atom.Ge
8178 As = _IMP_atom.As
8179 Se = _IMP_atom.Se
8180 Br = _IMP_atom.Br
8181 Kr = _IMP_atom.Kr
8182 Rb = _IMP_atom.Rb
8183 Sr = _IMP_atom.Sr
8184 Y = _IMP_atom.Y
8185 Zr = _IMP_atom.Zr
8186 Nb = _IMP_atom.Nb
8187 Mo = _IMP_atom.Mo
8188 Tc = _IMP_atom.Tc
8189 Ru = _IMP_atom.Ru
8190 Rh = _IMP_atom.Rh
8191 Pd = _IMP_atom.Pd
8192 Ag = _IMP_atom.Ag
8193 Cd = _IMP_atom.Cd
8194 In = _IMP_atom.In
8195 Sn = _IMP_atom.Sn
8196 Sb = _IMP_atom.Sb
8197 Te = _IMP_atom.Te
8198 I = _IMP_atom.I
8199 Xe = _IMP_atom.Xe
8200 Cs = _IMP_atom.Cs
8201 Ba = _IMP_atom.Ba
8202 La = _IMP_atom.La
8203 Ce = _IMP_atom.Ce
8204 Pr = _IMP_atom.Pr
8205 Nd = _IMP_atom.Nd
8206 Pm = _IMP_atom.Pm
8207 Sm = _IMP_atom.Sm
8208 Eu = _IMP_atom.Eu
8209 Gd = _IMP_atom.Gd
8210 Tb = _IMP_atom.Tb
8211 Dy = _IMP_atom.Dy
8212 Ho = _IMP_atom.Ho
8213 Er = _IMP_atom.Er
8214 Tm = _IMP_atom.Tm
8215 Yb = _IMP_atom.Yb
8216 Lu = _IMP_atom.Lu
8217 Hf = _IMP_atom.Hf
8218 Ta = _IMP_atom.Ta
8219 W = _IMP_atom.W
8220 Re = _IMP_atom.Re
8221 Os = _IMP_atom.Os
8222 Ir = _IMP_atom.Ir
8223 Pt = _IMP_atom.Pt
8224 Au = _IMP_atom.Au
8225 Hg = _IMP_atom.Hg
8226 Tl = _IMP_atom.Tl
8227 Pb = _IMP_atom.Pb
8228 Bi = _IMP_atom.Bi
8229 Po = _IMP_atom.Po
8230 At = _IMP_atom.At
8231 Rn = _IMP_atom.Rn
8232 Fr = _IMP_atom.Fr
8233 Ra = _IMP_atom.Ra
8234 Ac = _IMP_atom.Ac
8235 Th = _IMP_atom.Th
8236 Pa = _IMP_atom.Pa
8237 U = _IMP_atom.U
8238 Np = _IMP_atom.Np
8239 Pu = _IMP_atom.Pu
8240 Am = _IMP_atom.Am
8241 Cm = _IMP_atom.Cm
8242 Bk = _IMP_atom.Bk
8243 Cf = _IMP_atom.Cf
8244 Es = _IMP_atom.Es
8245 Fm = _IMP_atom.Fm
8246 Md = _IMP_atom.Md
8247 No = _IMP_atom.No
8248 Lr = _IMP_atom.Lr
8249 Db = _IMP_atom.Db
8250 Jl = _IMP_atom.Jl
8251 Rf = _IMP_atom.Rf
8252 NUMBER_OF_ELEMENTS = _IMP_atom.NUMBER_OF_ELEMENTS
8253 
8254 def hash_value(e):
8255  """hash_value(IMP::atom::Element e) -> size_t"""
8256  return _IMP_atom.hash_value(e)
8257 class ElementTable(object):
8258  """Proxy of C++ IMP::atom::ElementTable class."""
8259 
8260  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8261  __repr__ = _swig_repr
8262 
8263  def __init__(self):
8264  """__init__(IMP::atom::ElementTable self) -> ElementTable"""
8265  this = _IMP_atom.new_ElementTable()
8266  try:
8267  self.this.append(this)
8268  except __builtin__.Exception:
8269  self.this = this
8270 
8271  def get_element(self, s):
8272  """get_element(ElementTable self, std::string const & s) -> IMP::atom::Element"""
8273  return _IMP_atom.ElementTable_get_element(self, s)
8274 
8275 
8276  def get_name(self, e):
8277  """get_name(ElementTable self, IMP::atom::Element e) -> std::string"""
8278  return _IMP_atom.ElementTable_get_name(self, e)
8279 
8280 
8281  def get_mass(self, e):
8282  """get_mass(ElementTable self, IMP::atom::Element e) -> IMP::Float"""
8283  return _IMP_atom.ElementTable_get_mass(self, e)
8284 
8285  __swig_destroy__ = _IMP_atom.delete_ElementTable
8286  __del__ = lambda self: None
8287 ElementTable_swigregister = _IMP_atom.ElementTable_swigregister
8288 ElementTable_swigregister(ElementTable)
8289 
8290 
8291 def get_element_table():
8292  """get_element_table() -> ElementTable"""
8293  return _IMP_atom.get_element_table()
8294 class Atom(Hierarchy):
8295  """Proxy of C++ IMP::atom::Atom class."""
8296 
8297  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8298 
8299  def __init__(self, *args):
8300  """
8301  __init__(IMP::atom::Atom self) -> Atom
8302  __init__(IMP::atom::Atom self, Model m, ParticleIndex id) -> Atom
8303  __init__(IMP::atom::Atom self, _ParticleAdaptor d) -> Atom
8304  """
8305  this = _IMP_atom.new_Atom(*args)
8306  try:
8307  self.this.append(this)
8308  except __builtin__.Exception:
8309  self.this = this
8310 
8311  def show(self, *args):
8312  """
8313  show(Atom self, _ostream out)
8314  show(Atom self)
8315  """
8316  return _IMP_atom.Atom_show(self, *args)
8317 
8318 
8319  def setup_particle(*args):
8320  """
8321  setup_particle(Model m, ParticleIndex pi, Atom other) -> Atom
8322  setup_particle(_ParticleAdaptor decorator, Atom other) -> Atom
8323  setup_particle(Model m, ParticleIndex pi, AtomType atom_type) -> Atom
8324  setup_particle(_ParticleAdaptor decorator, AtomType atom_type) -> Atom
8325  """
8326  return _IMP_atom.Atom_setup_particle(*args)
8327 
8328  setup_particle = staticmethod(setup_particle)
8329 
8330  def get_is_setup(*args):
8331  """
8332  get_is_setup(_ParticleAdaptor p) -> bool
8333  get_is_setup(Model m, ParticleIndex pi) -> bool
8334  """
8335  return _IMP_atom.Atom_get_is_setup(*args)
8336 
8337  get_is_setup = staticmethod(get_is_setup)
8338 
8339  def get_atom_type(self):
8340  """get_atom_type(Atom self) -> AtomType"""
8341  return _IMP_atom.Atom_get_atom_type(self)
8342 
8343 
8344  def set_atom_type(self, t):
8345  """set_atom_type(Atom self, AtomType t)"""
8346  return _IMP_atom.Atom_set_atom_type(self, t)
8347 
8348 
8349  def get_element(self):
8350  """get_element(Atom self) -> IMP::atom::Element"""
8351  return _IMP_atom.Atom_get_element(self)
8352 
8353 
8354  def set_element(self, e):
8355  """set_element(Atom self, IMP::atom::Element e)"""
8356  return _IMP_atom.Atom_set_element(self, e)
8357 
8358 
8359  def get_occupancy(self):
8360  """get_occupancy(Atom self) -> double"""
8361  return _IMP_atom.Atom_get_occupancy(self)
8362 
8363 
8364  def set_occupancy(self, occupancy):
8365  """set_occupancy(Atom self, double occupancy)"""
8366  return _IMP_atom.Atom_set_occupancy(self, occupancy)
8367 
8368 
8369  def get_temperature_factor(self):
8370  """get_temperature_factor(Atom self) -> double"""
8371  return _IMP_atom.Atom_get_temperature_factor(self)
8372 
8373 
8374  def set_temperature_factor(self, tempFactor):
8375  """set_temperature_factor(Atom self, double tempFactor)"""
8376  return _IMP_atom.Atom_set_temperature_factor(self, tempFactor)
8377 
8378 
8379  def get_input_index(self):
8380  """get_input_index(Atom self) -> IMP::Int"""
8381  return _IMP_atom.Atom_get_input_index(self)
8382 
8383 
8384  def set_input_index(self, t):
8385  """set_input_index(Atom self, IMP::Int t)"""
8386  return _IMP_atom.Atom_set_input_index(self, t)
8387 
8388 
8389  def get_atom_type_key():
8390  """get_atom_type_key() -> IntKey"""
8391  return _IMP_atom.Atom_get_atom_type_key()
8392 
8393  get_atom_type_key = staticmethod(get_atom_type_key)
8394 
8395  def get_element_key():
8396  """get_element_key() -> IntKey"""
8397  return _IMP_atom.Atom_get_element_key()
8398 
8399  get_element_key = staticmethod(get_element_key)
8400 
8401  def get_input_index_key():
8402  """get_input_index_key() -> IntKey"""
8403  return _IMP_atom.Atom_get_input_index_key()
8404 
8405  get_input_index_key = staticmethod(get_input_index_key)
8406 
8407  def get_occupancy_key():
8408  """get_occupancy_key() -> FloatKey"""
8409  return _IMP_atom.Atom_get_occupancy_key()
8410 
8411  get_occupancy_key = staticmethod(get_occupancy_key)
8412 
8413  def get_temperature_factor_key():
8414  """get_temperature_factor_key() -> FloatKey"""
8415  return _IMP_atom.Atom_get_temperature_factor_key()
8416 
8417  get_temperature_factor_key = staticmethod(get_temperature_factor_key)
8418 
8419  def add_attribute(self, *args):
8420  """
8421  add_attribute(Atom self, FloatKey k, IMP::Float v, bool opt)
8422  add_attribute(Atom self, FloatKey a0, IMP::Float a1)
8423  add_attribute(Atom self, IntKey a0, IMP::Int a1)
8424  add_attribute(Atom self, StringKey a0, IMP::String a1)
8425  add_attribute(Atom self, ParticleIndexKey a0, Particle a1)
8426  add_attribute(Atom self, ObjectKey a0, Object a1)
8427  """
8428  return _IMP_atom.Atom_add_attribute(self, *args)
8429 
8430 
8431  def get_value(self, *args):
8432  """
8433  get_value(Atom self, FloatKey a0) -> IMP::Float
8434  get_value(Atom self, IntKey a0) -> IMP::Int
8435  get_value(Atom self, StringKey a0) -> IMP::String
8436  get_value(Atom self, ParticleIndexKey a0) -> Particle
8437  get_value(Atom self, ObjectKey a0) -> Object
8438  """
8439  return _IMP_atom.Atom_get_value(self, *args)
8440 
8441 
8442  def set_value(self, *args):
8443  """
8444  set_value(Atom self, FloatKey a0, IMP::Float a1)
8445  set_value(Atom self, IntKey a0, IMP::Int a1)
8446  set_value(Atom self, StringKey a0, IMP::String a1)
8447  set_value(Atom self, ParticleIndexKey a0, Particle a1)
8448  set_value(Atom self, ObjectKey a0, Object a1)
8449  """
8450  return _IMP_atom.Atom_set_value(self, *args)
8451 
8452 
8453  def remove_attribute(self, *args):
8454  """
8455  remove_attribute(Atom self, FloatKey a0)
8456  remove_attribute(Atom self, IntKey a0)
8457  remove_attribute(Atom self, StringKey a0)
8458  remove_attribute(Atom self, ParticleIndexKey a0)
8459  remove_attribute(Atom self, ObjectKey a0)
8460  """
8461  return _IMP_atom.Atom_remove_attribute(self, *args)
8462 
8463 
8464  def has_attribute(self, *args):
8465  """
8466  has_attribute(Atom self, FloatKey a0) -> bool
8467  has_attribute(Atom self, IntKey a0) -> bool
8468  has_attribute(Atom self, StringKey a0) -> bool
8469  has_attribute(Atom self, ParticleIndexKey a0) -> bool
8470  has_attribute(Atom self, ObjectKey a0) -> bool
8471  """
8472  return _IMP_atom.Atom_has_attribute(self, *args)
8473 
8474 
8475  def get_derivative(self, a0):
8476  """get_derivative(Atom self, FloatKey a0) -> double"""
8477  return _IMP_atom.Atom_get_derivative(self, a0)
8478 
8479 
8480  def get_name(self):
8481  """get_name(Atom self) -> std::string"""
8482  return _IMP_atom.Atom_get_name(self)
8483 
8484 
8485  def clear_caches(self):
8486  """clear_caches(Atom self)"""
8487  return _IMP_atom.Atom_clear_caches(self)
8488 
8489 
8490  def set_name(self, a0):
8491  """set_name(Atom self, std::string a0)"""
8492  return _IMP_atom.Atom_set_name(self, a0)
8493 
8494 
8495  def set_check_level(self, a0):
8496  """set_check_level(Atom self, IMP::CheckLevel a0)"""
8497  return _IMP_atom.Atom_set_check_level(self, a0)
8498 
8499 
8500  def add_to_derivative(self, a0, a1, a2):
8501  """add_to_derivative(Atom self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8502  return _IMP_atom.Atom_add_to_derivative(self, a0, a1, a2)
8503 
8504 
8505  def set_is_optimized(self, a0, a1):
8506  """set_is_optimized(Atom self, FloatKey a0, bool a1)"""
8507  return _IMP_atom.Atom_set_is_optimized(self, a0, a1)
8508 
8509 
8510  def get_is_optimized(self, a0):
8511  """get_is_optimized(Atom self, FloatKey a0) -> bool"""
8512  return _IMP_atom.Atom_get_is_optimized(self, a0)
8513 
8514 
8515  def get_check_level(self):
8516  """get_check_level(Atom self) -> IMP::CheckLevel"""
8517  return _IMP_atom.Atom_get_check_level(self)
8518 
8519 
8520  def __eq__(self, *args):
8521  """
8522  __eq__(Atom self, Atom o) -> bool
8523  __eq__(Atom self, Particle d) -> bool
8524  """
8525  return _IMP_atom.Atom___eq__(self, *args)
8526 
8527 
8528  def __ne__(self, *args):
8529  """
8530  __ne__(Atom self, Atom o) -> bool
8531  __ne__(Atom self, Particle d) -> bool
8532  """
8533  return _IMP_atom.Atom___ne__(self, *args)
8534 
8535 
8536  def __le__(self, *args):
8537  """
8538  __le__(Atom self, Atom o) -> bool
8539  __le__(Atom self, Particle d) -> bool
8540  """
8541  return _IMP_atom.Atom___le__(self, *args)
8542 
8543 
8544  def __lt__(self, *args):
8545  """
8546  __lt__(Atom self, Atom o) -> bool
8547  __lt__(Atom self, Particle d) -> bool
8548  """
8549  return _IMP_atom.Atom___lt__(self, *args)
8550 
8551 
8552  def __ge__(self, *args):
8553  """
8554  __ge__(Atom self, Atom o) -> bool
8555  __ge__(Atom self, Particle d) -> bool
8556  """
8557  return _IMP_atom.Atom___ge__(self, *args)
8558 
8559 
8560  def __gt__(self, *args):
8561  """
8562  __gt__(Atom self, Atom o) -> bool
8563  __gt__(Atom self, Particle d) -> bool
8564  """
8565  return _IMP_atom.Atom___gt__(self, *args)
8566 
8567 
8568  def __hash__(self):
8569  """__hash__(Atom self) -> std::size_t"""
8570  return _IMP_atom.Atom___hash__(self)
8571 
8572 
8573  def __str__(self):
8574  """__str__(Atom self) -> std::string"""
8575  return _IMP_atom.Atom___str__(self)
8576 
8577 
8578  def __repr__(self):
8579  """__repr__(Atom self) -> std::string"""
8580  return _IMP_atom.Atom___repr__(self)
8581 
8582  __swig_destroy__ = _IMP_atom.delete_Atom
8583  __del__ = lambda self: None
8584 Atom_swigregister = _IMP_atom.Atom_swigregister
8585 Atom_swigregister(Atom)
8586 AT_UNKNOWN = cvar.AT_UNKNOWN
8587 AT_N = cvar.AT_N
8588 AT_CA = cvar.AT_CA
8589 AT_C = cvar.AT_C
8590 AT_O = cvar.AT_O
8591 AT_H = cvar.AT_H
8592 AT_H1 = cvar.AT_H1
8593 AT_H2 = cvar.AT_H2
8594 AT_H3 = cvar.AT_H3
8595 AT_HA = cvar.AT_HA
8596 AT_HA1 = cvar.AT_HA1
8597 AT_HA2 = cvar.AT_HA2
8598 AT_HA3 = cvar.AT_HA3
8599 AT_CB = cvar.AT_CB
8600 AT_HB = cvar.AT_HB
8601 AT_HB1 = cvar.AT_HB1
8602 AT_HB2 = cvar.AT_HB2
8603 AT_HB3 = cvar.AT_HB3
8604 AT_OXT = cvar.AT_OXT
8605 AT_CH3 = cvar.AT_CH3
8606 AT_CH = cvar.AT_CH
8607 AT_CG = cvar.AT_CG
8608 AT_CG1 = cvar.AT_CG1
8609 AT_CG2 = cvar.AT_CG2
8610 AT_HG = cvar.AT_HG
8611 AT_HG1 = cvar.AT_HG1
8612 AT_HG2 = cvar.AT_HG2
8613 AT_HG3 = cvar.AT_HG3
8614 AT_HG11 = cvar.AT_HG11
8615 AT_HG21 = cvar.AT_HG21
8616 AT_HG31 = cvar.AT_HG31
8617 AT_HG12 = cvar.AT_HG12
8618 AT_HG13 = cvar.AT_HG13
8619 AT_HG22 = cvar.AT_HG22
8620 AT_HG23 = cvar.AT_HG23
8621 AT_HG32 = cvar.AT_HG32
8622 AT_OG = cvar.AT_OG
8623 AT_OG1 = cvar.AT_OG1
8624 AT_SG = cvar.AT_SG
8625 AT_CD = cvar.AT_CD
8626 AT_CD1 = cvar.AT_CD1
8627 AT_CD2 = cvar.AT_CD2
8628 AT_HD = cvar.AT_HD
8629 AT_HD1 = cvar.AT_HD1
8630 AT_HD2 = cvar.AT_HD2
8631 AT_HD3 = cvar.AT_HD3
8632 AT_HD11 = cvar.AT_HD11
8633 AT_HD21 = cvar.AT_HD21
8634 AT_HD31 = cvar.AT_HD31
8635 AT_HD12 = cvar.AT_HD12
8636 AT_HD13 = cvar.AT_HD13
8637 AT_HD22 = cvar.AT_HD22
8638 AT_HD23 = cvar.AT_HD23
8639 AT_HD32 = cvar.AT_HD32
8640 AT_SD = cvar.AT_SD
8641 AT_OD1 = cvar.AT_OD1
8642 AT_OD2 = cvar.AT_OD2
8643 AT_ND1 = cvar.AT_ND1
8644 AT_ND2 = cvar.AT_ND2
8645 AT_CE = cvar.AT_CE
8646 AT_CE1 = cvar.AT_CE1
8647 AT_CE2 = cvar.AT_CE2
8648 AT_CE3 = cvar.AT_CE3
8649 AT_HE = cvar.AT_HE
8650 AT_HE1 = cvar.AT_HE1
8651 AT_HE2 = cvar.AT_HE2
8652 AT_HE3 = cvar.AT_HE3
8653 AT_HE21 = cvar.AT_HE21
8654 AT_HE22 = cvar.AT_HE22
8655 AT_OE1 = cvar.AT_OE1
8656 AT_OE2 = cvar.AT_OE2
8657 AT_NE = cvar.AT_NE
8658 AT_NE1 = cvar.AT_NE1
8659 AT_NE2 = cvar.AT_NE2
8660 AT_CZ = cvar.AT_CZ
8661 AT_CZ2 = cvar.AT_CZ2
8662 AT_CZ3 = cvar.AT_CZ3
8663 AT_NZ = cvar.AT_NZ
8664 AT_HZ = cvar.AT_HZ
8665 AT_HZ1 = cvar.AT_HZ1
8666 AT_HZ2 = cvar.AT_HZ2
8667 AT_HZ3 = cvar.AT_HZ3
8668 AT_CH2 = cvar.AT_CH2
8669 AT_NH1 = cvar.AT_NH1
8670 AT_NH2 = cvar.AT_NH2
8671 AT_OH = cvar.AT_OH
8672 AT_HH = cvar.AT_HH
8673 AT_HH11 = cvar.AT_HH11
8674 AT_HH21 = cvar.AT_HH21
8675 AT_HH2 = cvar.AT_HH2
8676 AT_HH12 = cvar.AT_HH12
8677 AT_HH22 = cvar.AT_HH22
8678 AT_HH13 = cvar.AT_HH13
8679 AT_HH23 = cvar.AT_HH23
8680 AT_HH33 = cvar.AT_HH33
8681 AT_P = cvar.AT_P
8682 AT_OP1 = cvar.AT_OP1
8683 AT_OP2 = cvar.AT_OP2
8684 AT_OP3 = cvar.AT_OP3
8685 AT_O5p = cvar.AT_O5p
8686 AT_C5p = cvar.AT_C5p
8687 AT_H5p = cvar.AT_H5p
8688 AT_H5pp = cvar.AT_H5pp
8689 AT_C4p = cvar.AT_C4p
8690 AT_H4p = cvar.AT_H4p
8691 AT_O4p = cvar.AT_O4p
8692 AT_C1p = cvar.AT_C1p
8693 AT_H1p = cvar.AT_H1p
8694 AT_C3p = cvar.AT_C3p
8695 AT_H3p = cvar.AT_H3p
8696 AT_O3p = cvar.AT_O3p
8697 AT_C2p = cvar.AT_C2p
8698 AT_H2p = cvar.AT_H2p
8699 AT_H2pp = cvar.AT_H2pp
8700 AT_O2p = cvar.AT_O2p
8701 AT_HO2p = cvar.AT_HO2p
8702 AT_N9 = cvar.AT_N9
8703 AT_C8 = cvar.AT_C8
8704 AT_H8 = cvar.AT_H8
8705 AT_N7 = cvar.AT_N7
8706 AT_C5 = cvar.AT_C5
8707 AT_C4 = cvar.AT_C4
8708 AT_N3 = cvar.AT_N3
8709 AT_C2 = cvar.AT_C2
8710 AT_N1 = cvar.AT_N1
8711 AT_C6 = cvar.AT_C6
8712 AT_N6 = cvar.AT_N6
8713 AT_H61 = cvar.AT_H61
8714 AT_H62 = cvar.AT_H62
8715 AT_O6 = cvar.AT_O6
8716 AT_N2 = cvar.AT_N2
8717 AT_NT = cvar.AT_NT
8718 AT_H21 = cvar.AT_H21
8719 AT_H22 = cvar.AT_H22
8720 AT_H6 = cvar.AT_H6
8721 AT_H5 = cvar.AT_H5
8722 AT_O2 = cvar.AT_O2
8723 AT_N4 = cvar.AT_N4
8724 AT_H41 = cvar.AT_H41
8725 AT_H42 = cvar.AT_H42
8726 AT_O4 = cvar.AT_O4
8727 AT_C7 = cvar.AT_C7
8728 AT_H71 = cvar.AT_H71
8729 AT_H72 = cvar.AT_H72
8730 AT_H73 = cvar.AT_H73
8731 AT_O1A = cvar.AT_O1A
8732 AT_O2A = cvar.AT_O2A
8733 AT_O3A = cvar.AT_O3A
8734 AT_O1B = cvar.AT_O1B
8735 AT_O2B = cvar.AT_O2B
8736 AT_O3B = cvar.AT_O3B
8737 
8738 def Atom_setup_particle(*args):
8739  """
8740  setup_particle(Model m, ParticleIndex pi, Atom other) -> Atom
8741  setup_particle(_ParticleAdaptor decorator, Atom other) -> Atom
8742  setup_particle(Model m, ParticleIndex pi, AtomType atom_type) -> Atom
8743  Atom_setup_particle(_ParticleAdaptor decorator, AtomType atom_type) -> Atom
8744  """
8745  return _IMP_atom.Atom_setup_particle(*args)
8746 
8747 def Atom_get_is_setup(*args):
8748  """
8749  get_is_setup(_ParticleAdaptor p) -> bool
8750  Atom_get_is_setup(Model m, ParticleIndex pi) -> bool
8751  """
8752  return _IMP_atom.Atom_get_is_setup(*args)
8753 
8754 def Atom_get_atom_type_key():
8755  """Atom_get_atom_type_key() -> IntKey"""
8756  return _IMP_atom.Atom_get_atom_type_key()
8757 
8758 def Atom_get_element_key():
8759  """Atom_get_element_key() -> IntKey"""
8760  return _IMP_atom.Atom_get_element_key()
8761 
8762 def Atom_get_input_index_key():
8763  """Atom_get_input_index_key() -> IntKey"""
8764  return _IMP_atom.Atom_get_input_index_key()
8765 
8766 def Atom_get_occupancy_key():
8767  """Atom_get_occupancy_key() -> FloatKey"""
8768  return _IMP_atom.Atom_get_occupancy_key()
8769 
8770 def Atom_get_temperature_factor_key():
8771  """Atom_get_temperature_factor_key() -> FloatKey"""
8772  return _IMP_atom.Atom_get_temperature_factor_key()
8773 
8774 
8775 def get_residue(*args):
8776  """
8777  get_residue(Hierarchy mhd, unsigned int index) -> Hierarchy
8778  get_residue(Atom d, bool nothrow=False) -> Residue
8779  get_residue(Atom d) -> Residue
8780  """
8781  return _IMP_atom.get_residue(*args)
8782 
8783 def get_atom(rd, at):
8784  """get_atom(Residue rd, AtomType at) -> Atom"""
8785  return _IMP_atom.get_atom(rd, at)
8786 
8787 def add_atom_type(name, e):
8788  """add_atom_type(std::string name, IMP::atom::Element e) -> AtomType"""
8789  return _IMP_atom.add_atom_type(name, e)
8790 
8791 def get_element_for_atom_type(at):
8792  """get_element_for_atom_type(AtomType at) -> IMP::atom::Element"""
8793  return _IMP_atom.get_element_for_atom_type(at)
8794 
8795 def get_atom_type_exists(name):
8796  """get_atom_type_exists(std::string name) -> bool"""
8797  return _IMP_atom.get_atom_type_exists(name)
8798 class Residue(Hierarchy):
8799  """Proxy of C++ IMP::atom::Residue class."""
8800 
8801  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8802 
8803  def __init__(self, *args):
8804  """
8805  __init__(IMP::atom::Residue self) -> Residue
8806  __init__(IMP::atom::Residue self, Model m, ParticleIndex id) -> Residue
8807  __init__(IMP::atom::Residue self, _ParticleAdaptor d) -> Residue
8808  """
8809  this = _IMP_atom.new_Residue(*args)
8810  try:
8811  self.this.append(this)
8812  except __builtin__.Exception:
8813  self.this = this
8814 
8815  def show(self, *args):
8816  """
8817  show(Residue self, _ostream out)
8818  show(Residue self)
8819  """
8820  return _IMP_atom.Residue_show(self, *args)
8821 
8822 
8823  def setup_particle(*args):
8824  """
8825  setup_particle(Model m, ParticleIndex pi, ResidueType t, int index, int insertion_code) -> Residue
8826  setup_particle(_ParticleAdaptor decorator, ResidueType t, int index, int insertion_code) -> Residue
8827  setup_particle(Model m, ParticleIndex pi, ResidueType t, int index) -> Residue
8828  setup_particle(_ParticleAdaptor decorator, ResidueType t, int index) -> Residue
8829  setup_particle(Model m, ParticleIndex pi, ResidueType t) -> Residue
8830  setup_particle(_ParticleAdaptor decorator, ResidueType t) -> Residue
8831  setup_particle(Model m, ParticleIndex pi, Residue other) -> Residue
8832  setup_particle(_ParticleAdaptor decorator, Residue other) -> Residue
8833  """
8834  return _IMP_atom.Residue_setup_particle(*args)
8835 
8836  setup_particle = staticmethod(setup_particle)
8837 
8838  def get_is_setup(*args):
8839  """
8840  get_is_setup(_ParticleAdaptor p) -> bool
8841  get_is_setup(Model m, ParticleIndex pi) -> bool
8842  """
8843  return _IMP_atom.Residue_get_is_setup(*args)
8844 
8845  get_is_setup = staticmethod(get_is_setup)
8846 
8847  def get_residue_type(self):
8848  """get_residue_type(Residue self) -> ResidueType"""
8849  return _IMP_atom.Residue_get_residue_type(self)
8850 
8851 
8852  def set_residue_type(self, t):
8853  """set_residue_type(Residue self, ResidueType t)"""
8854  return _IMP_atom.Residue_set_residue_type(self, t)
8855 
8856 
8857  def get_is_protein(self):
8858  """get_is_protein(Residue self) -> bool"""
8859  return _IMP_atom.Residue_get_is_protein(self)
8860 
8861 
8862  def get_is_dna(self):
8863  """get_is_dna(Residue self) -> bool"""
8864  return _IMP_atom.Residue_get_is_dna(self)
8865 
8866 
8867  def get_is_rna(self):
8868  """get_is_rna(Residue self) -> bool"""
8869  return _IMP_atom.Residue_get_is_rna(self)
8870 
8871 
8872  def get_index(self):
8873  """get_index(Residue self) -> IMP::Int"""
8874  return _IMP_atom.Residue_get_index(self)
8875 
8876 
8877  def set_index(self, t):
8878  """set_index(Residue self, IMP::Int t)"""
8879  return _IMP_atom.Residue_set_index(self, t)
8880 
8881 
8882  def get_insertion_code(self):
8883  """get_insertion_code(Residue self) -> char"""
8884  return _IMP_atom.Residue_get_insertion_code(self)
8885 
8886 
8887  def set_insertion_code(self, insertion_code):
8888  """set_insertion_code(Residue self, char insertion_code)"""
8889  return _IMP_atom.Residue_set_insertion_code(self, insertion_code)
8890 
8891 
8892  def get_index_key():
8893  """get_index_key() -> IntKey"""
8894  return _IMP_atom.Residue_get_index_key()
8895 
8896  get_index_key = staticmethod(get_index_key)
8897 
8898  def get_residue_type_key():
8899  """get_residue_type_key() -> IntKey"""
8900  return _IMP_atom.Residue_get_residue_type_key()
8901 
8902  get_residue_type_key = staticmethod(get_residue_type_key)
8903 
8904  def get_insertion_code_key():
8905  """get_insertion_code_key() -> IntKey"""
8906  return _IMP_atom.Residue_get_insertion_code_key()
8907 
8908  get_insertion_code_key = staticmethod(get_insertion_code_key)
8909 
8910  def add_attribute(self, *args):
8911  """
8912  add_attribute(Residue self, FloatKey k, IMP::Float v, bool opt)
8913  add_attribute(Residue self, FloatKey a0, IMP::Float a1)
8914  add_attribute(Residue self, IntKey a0, IMP::Int a1)
8915  add_attribute(Residue self, StringKey a0, IMP::String a1)
8916  add_attribute(Residue self, ParticleIndexKey a0, Particle a1)
8917  add_attribute(Residue self, ObjectKey a0, Object a1)
8918  """
8919  return _IMP_atom.Residue_add_attribute(self, *args)
8920 
8921 
8922  def get_value(self, *args):
8923  """
8924  get_value(Residue self, FloatKey a0) -> IMP::Float
8925  get_value(Residue self, IntKey a0) -> IMP::Int
8926  get_value(Residue self, StringKey a0) -> IMP::String
8927  get_value(Residue self, ParticleIndexKey a0) -> Particle
8928  get_value(Residue self, ObjectKey a0) -> Object
8929  """
8930  return _IMP_atom.Residue_get_value(self, *args)
8931 
8932 
8933  def set_value(self, *args):
8934  """
8935  set_value(Residue self, FloatKey a0, IMP::Float a1)
8936  set_value(Residue self, IntKey a0, IMP::Int a1)
8937  set_value(Residue self, StringKey a0, IMP::String a1)
8938  set_value(Residue self, ParticleIndexKey a0, Particle a1)
8939  set_value(Residue self, ObjectKey a0, Object a1)
8940  """
8941  return _IMP_atom.Residue_set_value(self, *args)
8942 
8943 
8944  def remove_attribute(self, *args):
8945  """
8946  remove_attribute(Residue self, FloatKey a0)
8947  remove_attribute(Residue self, IntKey a0)
8948  remove_attribute(Residue self, StringKey a0)
8949  remove_attribute(Residue self, ParticleIndexKey a0)
8950  remove_attribute(Residue self, ObjectKey a0)
8951  """
8952  return _IMP_atom.Residue_remove_attribute(self, *args)
8953 
8954 
8955  def has_attribute(self, *args):
8956  """
8957  has_attribute(Residue self, FloatKey a0) -> bool
8958  has_attribute(Residue self, IntKey a0) -> bool
8959  has_attribute(Residue self, StringKey a0) -> bool
8960  has_attribute(Residue self, ParticleIndexKey a0) -> bool
8961  has_attribute(Residue self, ObjectKey a0) -> bool
8962  """
8963  return _IMP_atom.Residue_has_attribute(self, *args)
8964 
8965 
8966  def get_derivative(self, a0):
8967  """get_derivative(Residue self, FloatKey a0) -> double"""
8968  return _IMP_atom.Residue_get_derivative(self, a0)
8969 
8970 
8971  def get_name(self):
8972  """get_name(Residue self) -> std::string"""
8973  return _IMP_atom.Residue_get_name(self)
8974 
8975 
8976  def clear_caches(self):
8977  """clear_caches(Residue self)"""
8978  return _IMP_atom.Residue_clear_caches(self)
8979 
8980 
8981  def set_name(self, a0):
8982  """set_name(Residue self, std::string a0)"""
8983  return _IMP_atom.Residue_set_name(self, a0)
8984 
8985 
8986  def set_check_level(self, a0):
8987  """set_check_level(Residue self, IMP::CheckLevel a0)"""
8988  return _IMP_atom.Residue_set_check_level(self, a0)
8989 
8990 
8991  def add_to_derivative(self, a0, a1, a2):
8992  """add_to_derivative(Residue self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8993  return _IMP_atom.Residue_add_to_derivative(self, a0, a1, a2)
8994 
8995 
8996  def set_is_optimized(self, a0, a1):
8997  """set_is_optimized(Residue self, FloatKey a0, bool a1)"""
8998  return _IMP_atom.Residue_set_is_optimized(self, a0, a1)
8999 
9000 
9001  def get_is_optimized(self, a0):
9002  """get_is_optimized(Residue self, FloatKey a0) -> bool"""
9003  return _IMP_atom.Residue_get_is_optimized(self, a0)
9004 
9005 
9006  def get_check_level(self):
9007  """get_check_level(Residue self) -> IMP::CheckLevel"""
9008  return _IMP_atom.Residue_get_check_level(self)
9009 
9010 
9011  def __eq__(self, *args):
9012  """
9013  __eq__(Residue self, Residue o) -> bool
9014  __eq__(Residue self, Particle d) -> bool
9015  """
9016  return _IMP_atom.Residue___eq__(self, *args)
9017 
9018 
9019  def __ne__(self, *args):
9020  """
9021  __ne__(Residue self, Residue o) -> bool
9022  __ne__(Residue self, Particle d) -> bool
9023  """
9024  return _IMP_atom.Residue___ne__(self, *args)
9025 
9026 
9027  def __le__(self, *args):
9028  """
9029  __le__(Residue self, Residue o) -> bool
9030  __le__(Residue self, Particle d) -> bool
9031  """
9032  return _IMP_atom.Residue___le__(self, *args)
9033 
9034 
9035  def __lt__(self, *args):
9036  """
9037  __lt__(Residue self, Residue o) -> bool
9038  __lt__(Residue self, Particle d) -> bool
9039  """
9040  return _IMP_atom.Residue___lt__(self, *args)
9041 
9042 
9043  def __ge__(self, *args):
9044  """
9045  __ge__(Residue self, Residue o) -> bool
9046  __ge__(Residue self, Particle d) -> bool
9047  """
9048  return _IMP_atom.Residue___ge__(self, *args)
9049 
9050 
9051  def __gt__(self, *args):
9052  """
9053  __gt__(Residue self, Residue o) -> bool
9054  __gt__(Residue self, Particle d) -> bool
9055  """
9056  return _IMP_atom.Residue___gt__(self, *args)
9057 
9058 
9059  def __hash__(self):
9060  """__hash__(Residue self) -> std::size_t"""
9061  return _IMP_atom.Residue___hash__(self)
9062 
9063 
9064  def __str__(self):
9065  """__str__(Residue self) -> std::string"""
9066  return _IMP_atom.Residue___str__(self)
9067 
9068 
9069  def __repr__(self):
9070  """__repr__(Residue self) -> std::string"""
9071  return _IMP_atom.Residue___repr__(self)
9072 
9073  __swig_destroy__ = _IMP_atom.delete_Residue
9074  __del__ = lambda self: None
9075 Residue_swigregister = _IMP_atom.Residue_swigregister
9076 Residue_swigregister(Residue)
9077 UNK = cvar.UNK
9078 GLY = cvar.GLY
9079 ALA = cvar.ALA
9080 VAL = cvar.VAL
9081 LEU = cvar.LEU
9082 ILE = cvar.ILE
9083 SER = cvar.SER
9084 THR = cvar.THR
9085 CYS = cvar.CYS
9086 MET = cvar.MET
9087 PRO = cvar.PRO
9088 ASP = cvar.ASP
9089 ASN = cvar.ASN
9090 GLU = cvar.GLU
9091 GLN = cvar.GLN
9092 LYS = cvar.LYS
9093 ARG = cvar.ARG
9094 HIS = cvar.HIS
9095 PHE = cvar.PHE
9096 TYR = cvar.TYR
9097 TRP = cvar.TRP
9098 ACE = cvar.ACE
9099 NH2 = cvar.NH2
9100 ADE = cvar.ADE
9101 URA = cvar.URA
9102 CYT = cvar.CYT
9103 GUA = cvar.GUA
9104 THY = cvar.THY
9105 DADE = cvar.DADE
9106 DURA = cvar.DURA
9107 DCYT = cvar.DCYT
9108 DGUA = cvar.DGUA
9109 DTHY = cvar.DTHY
9110 HOH = cvar.HOH
9111 HEME = cvar.HEME
9112 POP = cvar.POP
9113 
9114 def Residue_setup_particle(*args):
9115  """
9116  setup_particle(Model m, ParticleIndex pi, ResidueType t, int index, int insertion_code) -> Residue
9117  setup_particle(_ParticleAdaptor decorator, ResidueType t, int index, int insertion_code) -> Residue
9118  setup_particle(Model m, ParticleIndex pi, ResidueType t, int index) -> Residue
9119  setup_particle(_ParticleAdaptor decorator, ResidueType t, int index) -> Residue
9120  setup_particle(Model m, ParticleIndex pi, ResidueType t) -> Residue
9121  setup_particle(_ParticleAdaptor decorator, ResidueType t) -> Residue
9122  setup_particle(Model m, ParticleIndex pi, Residue other) -> Residue
9123  Residue_setup_particle(_ParticleAdaptor decorator, Residue other) -> Residue
9124  """
9125  return _IMP_atom.Residue_setup_particle(*args)
9126 
9127 def Residue_get_is_setup(*args):
9128  """
9129  get_is_setup(_ParticleAdaptor p) -> bool
9130  Residue_get_is_setup(Model m, ParticleIndex pi) -> bool
9131  """
9132  return _IMP_atom.Residue_get_is_setup(*args)
9133 
9134 def Residue_get_index_key():
9135  """Residue_get_index_key() -> IntKey"""
9136  return _IMP_atom.Residue_get_index_key()
9137 
9138 def Residue_get_residue_type_key():
9139  """Residue_get_residue_type_key() -> IntKey"""
9140  return _IMP_atom.Residue_get_residue_type_key()
9141 
9142 def Residue_get_insertion_code_key():
9143  """Residue_get_insertion_code_key() -> IntKey"""
9144  return _IMP_atom.Residue_get_insertion_code_key()
9145 
9146 
9147 def get_next_residue(rd):
9148  """get_next_residue(Residue rd) -> Hierarchy"""
9149  return _IMP_atom.get_next_residue(rd)
9150 
9151 def get_previous_residue(rd):
9152  """get_previous_residue(Residue rd) -> Hierarchy"""
9153  return _IMP_atom.get_previous_residue(rd)
9154 
9155 def get_one_letter_code(c):
9156  """get_one_letter_code(ResidueType c) -> char"""
9157  return _IMP_atom.get_one_letter_code(c)
9158 BALLS = _IMP_atom.BALLS
9159 DENSITIES = _IMP_atom.DENSITIES
9160 class Representation(Hierarchy):
9161  """Proxy of C++ IMP::atom::Representation class."""
9162 
9163  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
9164 
9165  def setup_particle(*args):
9166  """
9167  setup_particle(Model m, ParticleIndex pi) -> Representation
9168  setup_particle(_ParticleAdaptor decorator) -> Representation
9169  setup_particle(Model m, ParticleIndex pi, double resolution) -> Representation
9170  setup_particle(_ParticleAdaptor decorator, double resolution) -> Representation
9171  setup_particle(Model m, ParticleIndex pi, Representation other) -> Representation
9172  setup_particle(_ParticleAdaptor decorator, Representation other) -> Representation
9173  """
9174  return _IMP_atom.Representation_setup_particle(*args)
9175 
9176  setup_particle = staticmethod(setup_particle)
9177 
9178  def __init__(self, *args):
9179  """
9180  __init__(IMP::atom::Representation self) -> Representation
9181  __init__(IMP::atom::Representation self, Model m, ParticleIndex id) -> Representation
9182  __init__(IMP::atom::Representation self, _ParticleAdaptor d) -> Representation
9183  """
9184  this = _IMP_atom.new_Representation(*args)
9185  try:
9186  self.this.append(this)
9187  except __builtin__.Exception:
9188  self.this = this
9189 
9190  def show(self, *args):
9191  """
9192  show(Representation self, _ostream out)
9193  show(Representation self)
9194  """
9195  return _IMP_atom.Representation_show(self, *args)
9196 
9197 
9198  def get_is_setup(*args):
9199  """
9200  get_is_setup(_ParticleAdaptor p) -> bool
9201  get_is_setup(Model m, ParticleIndex pi) -> bool
9202  """
9203  return _IMP_atom.Representation_get_is_setup(*args)
9204 
9205  get_is_setup = staticmethod(get_is_setup)
9206 
9207  def get_representation(self, *args):
9208  """
9209  get_representation(Representation self, double resolution, IMP::atom::RepresentationType type) -> Hierarchy
9210  get_representation(Representation self, double resolution) -> Hierarchy
9211  """
9212  return _IMP_atom.Representation_get_representation(self, *args)
9213 
9214 
9215  def get_representations(self, *args):
9216  """
9217  get_representations(Representation self, IMP::atom::RepresentationType type) -> IMP::atom::Hierarchies
9218  get_representations(Representation self) -> IMP::atom::Hierarchies
9219  """
9220  return _IMP_atom.Representation_get_representations(self, *args)
9221 
9222 
9223  def add_representation(self, *args):
9224  """
9225  add_representation(Representation self, _ParticleIndexAdaptor rep, IMP::atom::RepresentationType type, double resolution=-1)
9226  add_representation(Representation self, _ParticleIndexAdaptor rep, IMP::atom::RepresentationType type)
9227  add_representation(Representation self, _ParticleIndexAdaptor rep)
9228  """
9229  return _IMP_atom.Representation_add_representation(self, *args)
9230 
9231 
9232  def get_resolutions(self, *args):
9233  """
9234  get_resolutions(Representation self, IMP::atom::RepresentationType type) -> IMP::Floats
9235  get_resolutions(Representation self) -> IMP::Floats
9236  """
9237  return _IMP_atom.Representation_get_resolutions(self, *args)
9238 
9239 
9240  def update_parents(self):
9241  """update_parents(Representation self)"""
9242  return _IMP_atom.Representation_update_parents(self)
9243 
9244 
9245  def add_attribute(self, *args):
9246  """
9247  add_attribute(Representation self, FloatKey k, IMP::Float v, bool opt)
9248  add_attribute(Representation self, FloatKey a0, IMP::Float a1)
9249  add_attribute(Representation self, IntKey a0, IMP::Int a1)
9250  add_attribute(Representation self, StringKey a0, IMP::String a1)
9251  add_attribute(Representation self, ParticleIndexKey a0, Particle a1)
9252  add_attribute(Representation self, ObjectKey a0, Object a1)
9253  """
9254  return _IMP_atom.Representation_add_attribute(self, *args)
9255 
9256 
9257  def get_value(self, *args):
9258  """
9259  get_value(Representation self, FloatKey a0) -> IMP::Float
9260  get_value(Representation self, IntKey a0) -> IMP::Int
9261  get_value(Representation self, StringKey a0) -> IMP::String
9262  get_value(Representation self, ParticleIndexKey a0) -> Particle
9263  get_value(Representation self, ObjectKey a0) -> Object
9264  """
9265  return _IMP_atom.Representation_get_value(self, *args)
9266 
9267 
9268  def set_value(self, *args):
9269  """
9270  set_value(Representation self, FloatKey a0, IMP::Float a1)
9271  set_value(Representation self, IntKey a0, IMP::Int a1)
9272  set_value(Representation self, StringKey a0, IMP::String a1)
9273  set_value(Representation self, ParticleIndexKey a0, Particle a1)
9274  set_value(Representation self, ObjectKey a0, Object a1)
9275  """
9276  return _IMP_atom.Representation_set_value(self, *args)
9277 
9278 
9279  def remove_attribute(self, *args):
9280  """
9281  remove_attribute(Representation self, FloatKey a0)
9282  remove_attribute(Representation self, IntKey a0)
9283  remove_attribute(Representation self, StringKey a0)
9284  remove_attribute(Representation self, ParticleIndexKey a0)
9285  remove_attribute(Representation self, ObjectKey a0)
9286  """
9287  return _IMP_atom.Representation_remove_attribute(self, *args)
9288 
9289 
9290  def has_attribute(self, *args):
9291  """
9292  has_attribute(Representation self, FloatKey a0) -> bool
9293  has_attribute(Representation self, IntKey a0) -> bool
9294  has_attribute(Representation self, StringKey a0) -> bool
9295  has_attribute(Representation self, ParticleIndexKey a0) -> bool
9296  has_attribute(Representation self, ObjectKey a0) -> bool
9297  """
9298  return _IMP_atom.Representation_has_attribute(self, *args)
9299 
9300 
9301  def get_derivative(self, a0):
9302  """get_derivative(Representation self, FloatKey a0) -> double"""
9303  return _IMP_atom.Representation_get_derivative(self, a0)
9304 
9305 
9306  def get_name(self):
9307  """get_name(Representation self) -> std::string"""
9308  return _IMP_atom.Representation_get_name(self)
9309 
9310 
9311  def clear_caches(self):
9312  """clear_caches(Representation self)"""
9313  return _IMP_atom.Representation_clear_caches(self)
9314 
9315 
9316  def set_name(self, a0):
9317  """set_name(Representation self, std::string a0)"""
9318  return _IMP_atom.Representation_set_name(self, a0)
9319 
9320 
9321  def set_check_level(self, a0):
9322  """set_check_level(Representation self, IMP::CheckLevel a0)"""
9323  return _IMP_atom.Representation_set_check_level(self, a0)
9324 
9325 
9326  def add_to_derivative(self, a0, a1, a2):
9327  """add_to_derivative(Representation self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9328  return _IMP_atom.Representation_add_to_derivative(self, a0, a1, a2)
9329 
9330 
9331  def set_is_optimized(self, a0, a1):
9332  """set_is_optimized(Representation self, FloatKey a0, bool a1)"""
9333  return _IMP_atom.Representation_set_is_optimized(self, a0, a1)
9334 
9335 
9336  def get_is_optimized(self, a0):
9337  """get_is_optimized(Representation self, FloatKey a0) -> bool"""
9338  return _IMP_atom.Representation_get_is_optimized(self, a0)
9339 
9340 
9341  def get_check_level(self):
9342  """get_check_level(Representation self) -> IMP::CheckLevel"""
9343  return _IMP_atom.Representation_get_check_level(self)
9344 
9345 
9346  def __eq__(self, *args):
9347  """
9348  __eq__(Representation self, Representation o) -> bool
9349  __eq__(Representation self, Particle d) -> bool
9350  """
9351  return _IMP_atom.Representation___eq__(self, *args)
9352 
9353 
9354  def __ne__(self, *args):
9355  """
9356  __ne__(Representation self, Representation o) -> bool
9357  __ne__(Representation self, Particle d) -> bool
9358  """
9359  return _IMP_atom.Representation___ne__(self, *args)
9360 
9361 
9362  def __le__(self, *args):
9363  """
9364  __le__(Representation self, Representation o) -> bool
9365  __le__(Representation self, Particle d) -> bool
9366  """
9367  return _IMP_atom.Representation___le__(self, *args)
9368 
9369 
9370  def __lt__(self, *args):
9371  """
9372  __lt__(Representation self, Representation o) -> bool
9373  __lt__(Representation self, Particle d) -> bool
9374  """
9375  return _IMP_atom.Representation___lt__(self, *args)
9376 
9377 
9378  def __ge__(self, *args):
9379  """
9380  __ge__(Representation self, Representation o) -> bool
9381  __ge__(Representation self, Particle d) -> bool
9382  """
9383  return _IMP_atom.Representation___ge__(self, *args)
9384 
9385 
9386  def __gt__(self, *args):
9387  """
9388  __gt__(Representation self, Representation o) -> bool
9389  __gt__(Representation self, Particle d) -> bool
9390  """
9391  return _IMP_atom.Representation___gt__(self, *args)
9392 
9393 
9394  def __hash__(self):
9395  """__hash__(Representation self) -> std::size_t"""
9396  return _IMP_atom.Representation___hash__(self)
9397 
9398 
9399  def __str__(self):
9400  """__str__(Representation self) -> std::string"""
9401  return _IMP_atom.Representation___str__(self)
9402 
9403 
9404  def __repr__(self):
9405  """__repr__(Representation self) -> std::string"""
9406  return _IMP_atom.Representation___repr__(self)
9407 
9408  __swig_destroy__ = _IMP_atom.delete_Representation
9409  __del__ = lambda self: None
9410 Representation_swigregister = _IMP_atom.Representation_swigregister
9411 Representation_swigregister(Representation)
9412 ALL_RESOLUTIONS = cvar.ALL_RESOLUTIONS
9413 
9414 def Representation_setup_particle(*args):
9415  """
9416  setup_particle(Model m, ParticleIndex pi) -> Representation
9417  setup_particle(_ParticleAdaptor decorator) -> Representation
9418  setup_particle(Model m, ParticleIndex pi, double resolution) -> Representation
9419  setup_particle(_ParticleAdaptor decorator, double resolution) -> Representation
9420  setup_particle(Model m, ParticleIndex pi, Representation other) -> Representation
9421  Representation_setup_particle(_ParticleAdaptor decorator, Representation other) -> Representation
9422  """
9423  return _IMP_atom.Representation_setup_particle(*args)
9424 
9425 def Representation_get_is_setup(*args):
9426  """
9427  get_is_setup(_ParticleAdaptor p) -> bool
9428  Representation_get_is_setup(Model m, ParticleIndex pi) -> bool
9429  """
9430  return _IMP_atom.Representation_get_is_setup(*args)
9431 
9432 
9433 def get_resolution(*args):
9434  """
9435  get_resolution(Model m, ParticleIndex pi) -> double
9436  get_resolution(Hierarchy h) -> double
9437  """
9438  return _IMP_atom.get_resolution(*args)
9439 
9440 def get_representation(h, nothrow=False):
9441  """
9442  get_representation(Hierarchy h, bool nothrow=False) -> Representation
9443  get_representation(Hierarchy h) -> Representation
9444  """
9445  return _IMP_atom.get_representation(h, nothrow)
9446 
9447 def show_with_representations(*args):
9448  """
9449  show_with_representations(Hierarchy h, _ostream out)
9450  show_with_representations(Hierarchy h)
9451  """
9452  return _IMP_atom.show_with_representations(*args)
9453 class State(Hierarchy):
9454  """Proxy of C++ IMP::atom::State class."""
9455 
9456  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
9457 
9458  def setup_particle(*args):
9459  """
9460  setup_particle(Model m, ParticleIndex pi, unsigned int index) -> State
9461  setup_particle(_ParticleAdaptor decorator, unsigned int index) -> State
9462  setup_particle(Model m, ParticleIndex pi, State other) -> State
9463  setup_particle(_ParticleAdaptor decorator, State other) -> State
9464  """
9465  return _IMP_atom.State_setup_particle(*args)
9466 
9467  setup_particle = staticmethod(setup_particle)
9468 
9469  def __init__(self, *args):
9470  """
9471  __init__(IMP::atom::State self) -> State
9472  __init__(IMP::atom::State self, Model m, ParticleIndex id) -> State
9473  __init__(IMP::atom::State self, _ParticleAdaptor d) -> State
9474  """
9475  this = _IMP_atom.new_State(*args)
9476  try:
9477  self.this.append(this)
9478  except __builtin__.Exception:
9479  self.this = this
9480 
9481  def show(self, *args):
9482  """
9483  show(State self, _ostream out)
9484  show(State self)
9485  """
9486  return _IMP_atom.State_show(self, *args)
9487 
9488 
9489  def get_is_setup(*args):
9490  """
9491  get_is_setup(_ParticleAdaptor p) -> bool
9492  get_is_setup(Model m, ParticleIndex pi) -> bool
9493  """
9494  return _IMP_atom.State_get_is_setup(*args)
9495 
9496  get_is_setup = staticmethod(get_is_setup)
9497 
9498  def get_state_index(self):
9499  """get_state_index(State self) -> unsigned int"""
9500  return _IMP_atom.State_get_state_index(self)
9501 
9502 
9503  def add_attribute(self, *args):
9504  """
9505  add_attribute(State self, FloatKey k, IMP::Float v, bool opt)
9506  add_attribute(State self, FloatKey a0, IMP::Float a1)
9507  add_attribute(State self, IntKey a0, IMP::Int a1)
9508  add_attribute(State self, StringKey a0, IMP::String a1)
9509  add_attribute(State self, ParticleIndexKey a0, Particle a1)
9510  add_attribute(State self, ObjectKey a0, Object a1)
9511  """
9512  return _IMP_atom.State_add_attribute(self, *args)
9513 
9514 
9515  def get_value(self, *args):
9516  """
9517  get_value(State self, FloatKey a0) -> IMP::Float
9518  get_value(State self, IntKey a0) -> IMP::Int
9519  get_value(State self, StringKey a0) -> IMP::String
9520  get_value(State self, ParticleIndexKey a0) -> Particle
9521  get_value(State self, ObjectKey a0) -> Object
9522  """
9523  return _IMP_atom.State_get_value(self, *args)
9524 
9525 
9526  def set_value(self, *args):
9527  """
9528  set_value(State self, FloatKey a0, IMP::Float a1)
9529  set_value(State self, IntKey a0, IMP::Int a1)
9530  set_value(State self, StringKey a0, IMP::String a1)
9531  set_value(State self, ParticleIndexKey a0, Particle a1)
9532  set_value(State self, ObjectKey a0, Object a1)
9533  """
9534  return _IMP_atom.State_set_value(self, *args)
9535 
9536 
9537  def remove_attribute(self, *args):
9538  """
9539  remove_attribute(State self, FloatKey a0)
9540  remove_attribute(State self, IntKey a0)
9541  remove_attribute(State self, StringKey a0)
9542  remove_attribute(State self, ParticleIndexKey a0)
9543  remove_attribute(State self, ObjectKey a0)
9544  """
9545  return _IMP_atom.State_remove_attribute(self, *args)
9546 
9547 
9548  def has_attribute(self, *args):
9549  """
9550  has_attribute(State self, FloatKey a0) -> bool
9551  has_attribute(State self, IntKey a0) -> bool
9552  has_attribute(State self, StringKey a0) -> bool
9553  has_attribute(State self, ParticleIndexKey a0) -> bool
9554  has_attribute(State self, ObjectKey a0) -> bool
9555  """
9556  return _IMP_atom.State_has_attribute(self, *args)
9557 
9558 
9559  def get_derivative(self, a0):
9560  """get_derivative(State self, FloatKey a0) -> double"""
9561  return _IMP_atom.State_get_derivative(self, a0)
9562 
9563 
9564  def get_name(self):
9565  """get_name(State self) -> std::string"""
9566  return _IMP_atom.State_get_name(self)
9567 
9568 
9569  def clear_caches(self):
9570  """clear_caches(State self)"""
9571  return _IMP_atom.State_clear_caches(self)
9572 
9573 
9574  def set_name(self, a0):
9575  """set_name(State self, std::string a0)"""
9576  return _IMP_atom.State_set_name(self, a0)
9577 
9578 
9579  def set_check_level(self, a0):
9580  """set_check_level(State self, IMP::CheckLevel a0)"""
9581  return _IMP_atom.State_set_check_level(self, a0)
9582 
9583 
9584  def add_to_derivative(self, a0, a1, a2):
9585  """add_to_derivative(State self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9586  return _IMP_atom.State_add_to_derivative(self, a0, a1, a2)
9587 
9588 
9589  def set_is_optimized(self, a0, a1):
9590  """set_is_optimized(State self, FloatKey a0, bool a1)"""
9591  return _IMP_atom.State_set_is_optimized(self, a0, a1)
9592 
9593 
9594  def get_is_optimized(self, a0):
9595  """get_is_optimized(State self, FloatKey a0) -> bool"""
9596  return _IMP_atom.State_get_is_optimized(self, a0)
9597 
9598 
9599  def get_check_level(self):
9600  """get_check_level(State self) -> IMP::CheckLevel"""
9601  return _IMP_atom.State_get_check_level(self)
9602 
9603 
9604  def __eq__(self, *args):
9605  """
9606  __eq__(State self, State o) -> bool
9607  __eq__(State self, Particle d) -> bool
9608  """
9609  return _IMP_atom.State___eq__(self, *args)
9610 
9611 
9612  def __ne__(self, *args):
9613  """
9614  __ne__(State self, State o) -> bool
9615  __ne__(State self, Particle d) -> bool
9616  """
9617  return _IMP_atom.State___ne__(self, *args)
9618 
9619 
9620  def __le__(self, *args):
9621  """
9622  __le__(State self, State o) -> bool
9623  __le__(State self, Particle d) -> bool
9624  """
9625  return _IMP_atom.State___le__(self, *args)
9626 
9627 
9628  def __lt__(self, *args):
9629  """
9630  __lt__(State self, State o) -> bool
9631  __lt__(State self, Particle d) -> bool
9632  """
9633  return _IMP_atom.State___lt__(self, *args)
9634 
9635 
9636  def __ge__(self, *args):
9637  """
9638  __ge__(State self, State o) -> bool
9639  __ge__(State self, Particle d) -> bool
9640  """
9641  return _IMP_atom.State___ge__(self, *args)
9642 
9643 
9644  def __gt__(self, *args):
9645  """
9646  __gt__(State self, State o) -> bool
9647  __gt__(State self, Particle d) -> bool
9648  """
9649  return _IMP_atom.State___gt__(self, *args)
9650 
9651 
9652  def __hash__(self):
9653  """__hash__(State self) -> std::size_t"""
9654  return _IMP_atom.State___hash__(self)
9655 
9656 
9657  def __str__(self):
9658  """__str__(State self) -> std::string"""
9659  return _IMP_atom.State___str__(self)
9660 
9661 
9662  def __repr__(self):
9663  """__repr__(State self) -> std::string"""
9664  return _IMP_atom.State___repr__(self)
9665 
9666  __swig_destroy__ = _IMP_atom.delete_State
9667  __del__ = lambda self: None
9668 State_swigregister = _IMP_atom.State_swigregister
9669 State_swigregister(State)
9670 
9671 def State_setup_particle(*args):
9672  """
9673  setup_particle(Model m, ParticleIndex pi, unsigned int index) -> State
9674  setup_particle(_ParticleAdaptor decorator, unsigned int index) -> State
9675  setup_particle(Model m, ParticleIndex pi, State other) -> State
9676  State_setup_particle(_ParticleAdaptor decorator, State other) -> State
9677  """
9678  return _IMP_atom.State_setup_particle(*args)
9679 
9680 def State_get_is_setup(*args):
9681  """
9682  get_is_setup(_ParticleAdaptor p) -> bool
9683  State_get_is_setup(Model m, ParticleIndex pi) -> bool
9684  """
9685  return _IMP_atom.State_get_is_setup(*args)
9686 
9687 
9688 def get_state_index(h):
9689  """get_state_index(Hierarchy h) -> int"""
9690  return _IMP_atom.get_state_index(h)
9691 
9692 def get_phi_dihedral_atoms(rd):
9693  """get_phi_dihedral_atoms(Residue rd) -> IMP::atom::Atoms"""
9694  return _IMP_atom.get_phi_dihedral_atoms(rd)
9695 
9696 def get_psi_dihedral_atoms(rd):
9697  """get_psi_dihedral_atoms(Residue rd) -> IMP::atom::Atoms"""
9698  return _IMP_atom.get_psi_dihedral_atoms(rd)
9699 class Molecule(Hierarchy):
9700  """Proxy of C++ IMP::atom::Molecule class."""
9701 
9702  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
9703 
9704  def __init__(self, *args):
9705  """
9706  __init__(IMP::atom::Molecule self) -> Molecule
9707  __init__(IMP::atom::Molecule self, Model m, ParticleIndex id) -> Molecule
9708  __init__(IMP::atom::Molecule self, _ParticleAdaptor d) -> Molecule
9709  """
9710  this = _IMP_atom.new_Molecule(*args)
9711  try:
9712  self.this.append(this)
9713  except __builtin__.Exception:
9714  self.this = this
9715 
9716  def show(self, *args):
9717  """
9718  show(Molecule self, _ostream out)
9719  show(Molecule self)
9720  """
9721  return _IMP_atom.Molecule_show(self, *args)
9722 
9723 
9724  def setup_particle(*args):
9725  """
9726  setup_particle(Model m, ParticleIndex pi) -> Molecule
9727  setup_particle(_ParticleAdaptor decorator) -> Molecule
9728  setup_particle(Model m, ParticleIndex pi, Molecule other) -> Molecule
9729  setup_particle(_ParticleAdaptor decorator, Molecule other) -> Molecule
9730  """
9731  return _IMP_atom.Molecule_setup_particle(*args)
9732 
9733  setup_particle = staticmethod(setup_particle)
9734 
9735  def get_is_setup(*args):
9736  """
9737  get_is_setup(_ParticleAdaptor p) -> bool
9738  get_is_setup(Model m, ParticleIndex pi) -> bool
9739  """
9740  return _IMP_atom.Molecule_get_is_setup(*args)
9741 
9742  get_is_setup = staticmethod(get_is_setup)
9743 
9744  def add_attribute(self, *args):
9745  """
9746  add_attribute(Molecule self, FloatKey k, IMP::Float v, bool opt)
9747  add_attribute(Molecule self, FloatKey a0, IMP::Float a1)
9748  add_attribute(Molecule self, IntKey a0, IMP::Int a1)
9749  add_attribute(Molecule self, StringKey a0, IMP::String a1)
9750  add_attribute(Molecule self, ParticleIndexKey a0, Particle a1)
9751  add_attribute(Molecule self, ObjectKey a0, Object a1)
9752  """
9753  return _IMP_atom.Molecule_add_attribute(self, *args)
9754 
9755 
9756  def get_value(self, *args):
9757  """
9758  get_value(Molecule self, FloatKey a0) -> IMP::Float
9759  get_value(Molecule self, IntKey a0) -> IMP::Int
9760  get_value(Molecule self, StringKey a0) -> IMP::String
9761  get_value(Molecule self, ParticleIndexKey a0) -> Particle
9762  get_value(Molecule self, ObjectKey a0) -> Object
9763  """
9764  return _IMP_atom.Molecule_get_value(self, *args)
9765 
9766 
9767  def set_value(self, *args):
9768  """
9769  set_value(Molecule self, FloatKey a0, IMP::Float a1)
9770  set_value(Molecule self, IntKey a0, IMP::Int a1)
9771  set_value(Molecule self, StringKey a0, IMP::String a1)
9772  set_value(Molecule self, ParticleIndexKey a0, Particle a1)
9773  set_value(Molecule self, ObjectKey a0, Object a1)
9774  """
9775  return _IMP_atom.Molecule_set_value(self, *args)
9776 
9777 
9778  def remove_attribute(self, *args):
9779  """
9780  remove_attribute(Molecule self, FloatKey a0)
9781  remove_attribute(Molecule self, IntKey a0)
9782  remove_attribute(Molecule self, StringKey a0)
9783  remove_attribute(Molecule self, ParticleIndexKey a0)
9784  remove_attribute(Molecule self, ObjectKey a0)
9785  """
9786  return _IMP_atom.Molecule_remove_attribute(self, *args)
9787 
9788 
9789  def has_attribute(self, *args):
9790  """
9791  has_attribute(Molecule self, FloatKey a0) -> bool
9792  has_attribute(Molecule self, IntKey a0) -> bool
9793  has_attribute(Molecule self, StringKey a0) -> bool
9794  has_attribute(Molecule self, ParticleIndexKey a0) -> bool
9795  has_attribute(Molecule self, ObjectKey a0) -> bool
9796  """
9797  return _IMP_atom.Molecule_has_attribute(self, *args)
9798 
9799 
9800  def get_derivative(self, a0):
9801  """get_derivative(Molecule self, FloatKey a0) -> double"""
9802  return _IMP_atom.Molecule_get_derivative(self, a0)
9803 
9804 
9805  def get_name(self):
9806  """get_name(Molecule self) -> std::string"""
9807  return _IMP_atom.Molecule_get_name(self)
9808 
9809 
9810  def clear_caches(self):
9811  """clear_caches(Molecule self)"""
9812  return _IMP_atom.Molecule_clear_caches(self)
9813 
9814 
9815  def set_name(self, a0):
9816  """set_name(Molecule self, std::string a0)"""
9817  return _IMP_atom.Molecule_set_name(self, a0)
9818 
9819 
9820  def set_check_level(self, a0):
9821  """set_check_level(Molecule self, IMP::CheckLevel a0)"""
9822  return _IMP_atom.Molecule_set_check_level(self, a0)
9823 
9824 
9825  def add_to_derivative(self, a0, a1, a2):
9826  """add_to_derivative(Molecule self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9827  return _IMP_atom.Molecule_add_to_derivative(self, a0, a1, a2)
9828 
9829 
9830  def set_is_optimized(self, a0, a1):
9831  """set_is_optimized(Molecule self, FloatKey a0, bool a1)"""
9832  return _IMP_atom.Molecule_set_is_optimized(self, a0, a1)
9833 
9834 
9835  def get_is_optimized(self, a0):
9836  """get_is_optimized(Molecule self, FloatKey a0) -> bool"""
9837  return _IMP_atom.Molecule_get_is_optimized(self, a0)
9838 
9839 
9840  def get_check_level(self):
9841  """get_check_level(Molecule self) -> IMP::CheckLevel"""
9842  return _IMP_atom.Molecule_get_check_level(self)
9843 
9844 
9845  def __eq__(self, *args):
9846  """
9847  __eq__(Molecule self, Molecule o) -> bool
9848  __eq__(Molecule self, Particle d) -> bool
9849  """
9850  return _IMP_atom.Molecule___eq__(self, *args)
9851 
9852 
9853  def __ne__(self, *args):
9854  """
9855  __ne__(Molecule self, Molecule o) -> bool
9856  __ne__(Molecule self, Particle d) -> bool
9857  """
9858  return _IMP_atom.Molecule___ne__(self, *args)
9859 
9860 
9861  def __le__(self, *args):
9862  """
9863  __le__(Molecule self, Molecule o) -> bool
9864  __le__(Molecule self, Particle d) -> bool
9865  """
9866  return _IMP_atom.Molecule___le__(self, *args)
9867 
9868 
9869  def __lt__(self, *args):
9870  """
9871  __lt__(Molecule self, Molecule o) -> bool
9872  __lt__(Molecule self, Particle d) -> bool
9873  """
9874  return _IMP_atom.Molecule___lt__(self, *args)
9875 
9876 
9877  def __ge__(self, *args):
9878  """
9879  __ge__(Molecule self, Molecule o) -> bool
9880  __ge__(Molecule self, Particle d) -> bool
9881  """
9882  return _IMP_atom.Molecule___ge__(self, *args)
9883 
9884 
9885  def __gt__(self, *args):
9886  """
9887  __gt__(Molecule self, Molecule o) -> bool
9888  __gt__(Molecule self, Particle d) -> bool
9889  """
9890  return _IMP_atom.Molecule___gt__(self, *args)
9891 
9892 
9893  def __hash__(self):
9894  """__hash__(Molecule self) -> std::size_t"""
9895  return _IMP_atom.Molecule___hash__(self)
9896 
9897 
9898  def __str__(self):
9899  """__str__(Molecule self) -> std::string"""
9900  return _IMP_atom.Molecule___str__(self)
9901 
9902 
9903  def __repr__(self):
9904  """__repr__(Molecule self) -> std::string"""
9905  return _IMP_atom.Molecule___repr__(self)
9906 
9907  __swig_destroy__ = _IMP_atom.delete_Molecule
9908  __del__ = lambda self: None
9909 Molecule_swigregister = _IMP_atom.Molecule_swigregister
9910 Molecule_swigregister(Molecule)
9911 
9912 def Molecule_setup_particle(*args):
9913  """
9914  setup_particle(Model m, ParticleIndex pi) -> Molecule
9915  setup_particle(_ParticleAdaptor decorator) -> Molecule
9916  setup_particle(Model m, ParticleIndex pi, Molecule other) -> Molecule
9917  Molecule_setup_particle(_ParticleAdaptor decorator, Molecule other) -> Molecule
9918  """
9919  return _IMP_atom.Molecule_setup_particle(*args)
9920 
9921 def Molecule_get_is_setup(*args):
9922  """
9923  get_is_setup(_ParticleAdaptor p) -> bool
9924  Molecule_get_is_setup(Model m, ParticleIndex pi) -> bool
9925  """
9926  return _IMP_atom.Molecule_get_is_setup(*args)
9927 
9928 
9929 def get_molecule_name(h):
9930  """get_molecule_name(Hierarchy h) -> std::string"""
9931  return _IMP_atom.get_molecule_name(h)
9932 class Copy(Molecule):
9933  """Proxy of C++ IMP::atom::Copy class."""
9934 
9935  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
9936 
9937  def get_copy_index_key():
9938  """get_copy_index_key() -> IntKey"""
9939  return _IMP_atom.Copy_get_copy_index_key()
9940 
9941  get_copy_index_key = staticmethod(get_copy_index_key)
9942 
9943  def __init__(self, *args):
9944  """
9945  __init__(IMP::atom::Copy self) -> Copy
9946  __init__(IMP::atom::Copy self, Model m, ParticleIndex id) -> Copy
9947  __init__(IMP::atom::Copy self, _ParticleAdaptor d) -> Copy
9948  """
9949  this = _IMP_atom.new_Copy(*args)
9950  try:
9951  self.this.append(this)
9952  except __builtin__.Exception:
9953  self.this = this
9954 
9955  def show(self, *args):
9956  """
9957  show(Copy self, _ostream out)
9958  show(Copy self)
9959  """
9960  return _IMP_atom.Copy_show(self, *args)
9961 
9962 
9963  def setup_particle(*args):
9964  """
9965  setup_particle(Model m, ParticleIndex pi, IMP::Int number) -> Copy
9966  setup_particle(_ParticleAdaptor decorator, IMP::Int number) -> Copy
9967  """
9968  return _IMP_atom.Copy_setup_particle(*args)
9969 
9970  setup_particle = staticmethod(setup_particle)
9971 
9972  def get_is_setup(*args):
9973  """
9974  get_is_setup(_ParticleAdaptor p) -> bool
9975  get_is_setup(Model m, ParticleIndex pi) -> bool
9976  """
9977  return _IMP_atom.Copy_get_is_setup(*args)
9978 
9979  get_is_setup = staticmethod(get_is_setup)
9980 
9981  def get_copy_index(self):
9982  """get_copy_index(Copy self) -> int"""
9983  return _IMP_atom.Copy_get_copy_index(self)
9984 
9985 
9986  def add_attribute(self, *args):
9987  """
9988  add_attribute(Copy self, FloatKey k, IMP::Float v, bool opt)
9989  add_attribute(Copy self, FloatKey a0, IMP::Float a1)
9990  add_attribute(Copy self, IntKey a0, IMP::Int a1)
9991  add_attribute(Copy self, StringKey a0, IMP::String a1)
9992  add_attribute(Copy self, ParticleIndexKey a0, Particle a1)
9993  add_attribute(Copy self, ObjectKey a0, Object a1)
9994  """
9995  return _IMP_atom.Copy_add_attribute(self, *args)
9996 
9997 
9998  def get_value(self, *args):
9999  """
10000  get_value(Copy self, FloatKey a0) -> IMP::Float
10001  get_value(Copy self, IntKey a0) -> IMP::Int
10002  get_value(Copy self, StringKey a0) -> IMP::String
10003  get_value(Copy self, ParticleIndexKey a0) -> Particle
10004  get_value(Copy self, ObjectKey a0) -> Object
10005  """
10006  return _IMP_atom.Copy_get_value(self, *args)
10007 
10008 
10009  def set_value(self, *args):
10010  """
10011  set_value(Copy self, FloatKey a0, IMP::Float a1)
10012  set_value(Copy self, IntKey a0, IMP::Int a1)
10013  set_value(Copy self, StringKey a0, IMP::String a1)
10014  set_value(Copy self, ParticleIndexKey a0, Particle a1)
10015  set_value(Copy self, ObjectKey a0, Object a1)
10016  """
10017  return _IMP_atom.Copy_set_value(self, *args)
10018 
10019 
10020  def remove_attribute(self, *args):
10021  """
10022  remove_attribute(Copy self, FloatKey a0)
10023  remove_attribute(Copy self, IntKey a0)
10024  remove_attribute(Copy self, StringKey a0)
10025  remove_attribute(Copy self, ParticleIndexKey a0)
10026  remove_attribute(Copy self, ObjectKey a0)
10027  """
10028  return _IMP_atom.Copy_remove_attribute(self, *args)
10029 
10030 
10031  def has_attribute(self, *args):
10032  """
10033  has_attribute(Copy self, FloatKey a0) -> bool
10034  has_attribute(Copy self, IntKey a0) -> bool
10035  has_attribute(Copy self, StringKey a0) -> bool
10036  has_attribute(Copy self, ParticleIndexKey a0) -> bool
10037  has_attribute(Copy self, ObjectKey a0) -> bool
10038  """
10039  return _IMP_atom.Copy_has_attribute(self, *args)
10040 
10041 
10042  def get_derivative(self, a0):
10043  """get_derivative(Copy self, FloatKey a0) -> double"""
10044  return _IMP_atom.Copy_get_derivative(self, a0)
10045 
10046 
10047  def get_name(self):
10048  """get_name(Copy self) -> std::string"""
10049  return _IMP_atom.Copy_get_name(self)
10050 
10051 
10052  def clear_caches(self):
10053  """clear_caches(Copy self)"""
10054  return _IMP_atom.Copy_clear_caches(self)
10055 
10056 
10057  def set_name(self, a0):
10058  """set_name(Copy self, std::string a0)"""
10059  return _IMP_atom.Copy_set_name(self, a0)
10060 
10061 
10062  def set_check_level(self, a0):
10063  """set_check_level(Copy self, IMP::CheckLevel a0)"""
10064  return _IMP_atom.Copy_set_check_level(self, a0)
10065 
10066 
10067  def add_to_derivative(self, a0, a1, a2):
10068  """add_to_derivative(Copy self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
10069  return _IMP_atom.Copy_add_to_derivative(self, a0, a1, a2)
10070 
10071 
10072  def set_is_optimized(self, a0, a1):
10073  """set_is_optimized(Copy self, FloatKey a0, bool a1)"""
10074  return _IMP_atom.Copy_set_is_optimized(self, a0, a1)
10075 
10076 
10077  def get_is_optimized(self, a0):
10078  """get_is_optimized(Copy self, FloatKey a0) -> bool"""
10079  return _IMP_atom.Copy_get_is_optimized(self, a0)
10080 
10081 
10082  def get_check_level(self):
10083  """get_check_level(Copy self) -> IMP::CheckLevel"""
10084  return _IMP_atom.Copy_get_check_level(self)
10085 
10086 
10087  def __eq__(self, *args):
10088  """
10089  __eq__(Copy self, Copy o) -> bool
10090  __eq__(Copy self, Particle d) -> bool
10091  """
10092  return _IMP_atom.Copy___eq__(self, *args)
10093 
10094 
10095  def __ne__(self, *args):
10096  """
10097  __ne__(Copy self, Copy o) -> bool
10098  __ne__(Copy self, Particle d) -> bool
10099  """
10100  return _IMP_atom.Copy___ne__(self, *args)
10101 
10102 
10103  def __le__(self, *args):
10104  """
10105  __le__(Copy self, Copy o) -> bool
10106  __le__(Copy self, Particle d) -> bool
10107  """
10108  return _IMP_atom.Copy___le__(self, *args)
10109 
10110 
10111  def __lt__(self, *args):
10112  """
10113  __lt__(Copy self, Copy o) -> bool
10114  __lt__(Copy self, Particle d) -> bool
10115  """
10116  return _IMP_atom.Copy___lt__(self, *args)
10117 
10118 
10119  def __ge__(self, *args):
10120  """
10121  __ge__(Copy self, Copy o) -> bool
10122  __ge__(Copy self, Particle d) -> bool
10123  """
10124  return _IMP_atom.Copy___ge__(self, *args)
10125 
10126 
10127  def __gt__(self, *args):
10128  """
10129  __gt__(Copy self, Copy o) -> bool
10130  __gt__(Copy self, Particle d) -> bool
10131  """
10132  return _IMP_atom.Copy___gt__(self, *args)
10133 
10134 
10135  def __hash__(self):
10136  """__hash__(Copy self) -> std::size_t"""
10137  return _IMP_atom.Copy___hash__(self)
10138 
10139 
10140  def __str__(self):
10141  """__str__(Copy self) -> std::string"""
10142  return _IMP_atom.Copy___str__(self)
10143 
10144 
10145  def __repr__(self):
10146  """__repr__(Copy self) -> std::string"""
10147  return _IMP_atom.Copy___repr__(self)
10148 
10149  __swig_destroy__ = _IMP_atom.delete_Copy
10150  __del__ = lambda self: None
10151 Copy_swigregister = _IMP_atom.Copy_swigregister
10152 Copy_swigregister(Copy)
10153 
10154 def Copy_get_copy_index_key():
10155  """Copy_get_copy_index_key() -> IntKey"""
10156  return _IMP_atom.Copy_get_copy_index_key()
10157 
10158 def Copy_setup_particle(*args):
10159  """
10160  setup_particle(Model m, ParticleIndex pi, IMP::Int number) -> Copy
10161  Copy_setup_particle(_ParticleAdaptor decorator, IMP::Int number) -> Copy
10162  """
10163  return _IMP_atom.Copy_setup_particle(*args)
10164 
10165 def Copy_get_is_setup(*args):
10166  """
10167  get_is_setup(_ParticleAdaptor p) -> bool
10168  Copy_get_is_setup(Model m, ParticleIndex pi) -> bool
10169  """
10170  return _IMP_atom.Copy_get_is_setup(*args)
10171 
10172 
10173 def get_copy_index(h):
10174  """get_copy_index(Hierarchy h) -> int"""
10175  return _IMP_atom.get_copy_index(h)
10176 class Selection(IMP._ParticleIndexesAdaptor):
10177  """Proxy of C++ IMP::atom::Selection class."""
10178 
10179  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10180  NONE = _IMP_atom.Selection_NONE
10181  C = _IMP_atom.Selection_C
10182  N = _IMP_atom.Selection_N
10183 
10184  def __init__(self, *args):
10185  """
10186  __init__(IMP::atom::Selection self) -> Selection
10187  __init__(IMP::atom::Selection self, Hierarchy h) -> Selection
10188  __init__(IMP::atom::Selection self, Particle h) -> Selection
10189  __init__(IMP::atom::Selection self, Model m, IMP::ParticleIndexes const & pis) -> Selection
10190  __init__(IMP::atom::Selection self, IMP::ParticlesTemp const & h) -> Selection
10191  """
10192  this = _IMP_atom.new_Selection(*args)
10193  try:
10194  self.this.append(this)
10195  except __builtin__.Exception:
10196  self.this = this
10197 
10198  def create_clone(self):
10199  """create_clone(Selection self) -> Selection"""
10200  return _IMP_atom.Selection_create_clone(self)
10201 
10202 
10203  def get_hierarchies(self):
10204  """get_hierarchies(Selection self) -> IMP::atom::Hierarchies"""
10205  return _IMP_atom.Selection_get_hierarchies(self)
10206 
10207 
10208  def set_molecules(self, mols):
10209  """set_molecules(Selection self, IMP::Strings mols)"""
10210  return _IMP_atom.Selection_set_molecules(self, mols)
10211 
10212 
10213  def set_resolution(self, r):
10214  """set_resolution(Selection self, double r)"""
10215  return _IMP_atom.Selection_set_resolution(self, r)
10216 
10217 
10218  def set_representation_type(self, t):
10219  """set_representation_type(Selection self, IMP::atom::RepresentationType t)"""
10220  return _IMP_atom.Selection_set_representation_type(self, t)
10221 
10222 
10223  def set_state_index(self, state):
10224  """set_state_index(Selection self, int state)"""
10225  return _IMP_atom.Selection_set_state_index(self, state)
10226 
10227 
10228  def set_state_indexes(self, states):
10229  """set_state_indexes(Selection self, IMP::Ints states)"""
10230  return _IMP_atom.Selection_set_state_indexes(self, states)
10231 
10232 
10233  def set_terminus(self, t):
10234  """set_terminus(Selection self, IMP::atom::Selection::Terminus t)"""
10235  return _IMP_atom.Selection_set_terminus(self, t)
10236 
10237 
10238  def set_element(self, e):
10239  """set_element(Selection self, IMP::atom::Element e)"""
10240  return _IMP_atom.Selection_set_element(self, e)
10241 
10242 
10243  def set_chain_ids(self, chains):
10244  """set_chain_ids(Selection self, IMP::Strings chains)"""
10245  return _IMP_atom.Selection_set_chain_ids(self, chains)
10246 
10247 
10248  def set_chains(self, chains):
10249  """set_chains(Selection self, IMP::Strings chains)"""
10250  return _IMP_atom.Selection_set_chains(self, chains)
10251 
10252 
10253  def set_residue_indexes(self, indexes):
10254  """set_residue_indexes(Selection self, IMP::Ints indexes)"""
10255  return _IMP_atom.Selection_set_residue_indexes(self, indexes)
10256 
10257 
10258  def set_atom_types(self, types):
10259  """set_atom_types(Selection self, IMP::atom::AtomTypes types)"""
10260  return _IMP_atom.Selection_set_atom_types(self, types)
10261 
10262 
10263  def set_residue_types(self, types):
10264  """set_residue_types(Selection self, IMP::atom::ResidueTypes types)"""
10265  return _IMP_atom.Selection_set_residue_types(self, types)
10266 
10267 
10268  def set_domains(self, names):
10269  """set_domains(Selection self, IMP::Strings names)"""
10270  return _IMP_atom.Selection_set_domains(self, names)
10271 
10272 
10273  def set_molecule(self, mol):
10274  """set_molecule(Selection self, std::string mol)"""
10275  return _IMP_atom.Selection_set_molecule(self, mol)
10276 
10277 
10278  def set_chain_id(self, c):
10279  """set_chain_id(Selection self, std::string c)"""
10280  return _IMP_atom.Selection_set_chain_id(self, c)
10281 
10282 
10283  def set_chain(self, c):
10284  """set_chain(Selection self, std::string c)"""
10285  return _IMP_atom.Selection_set_chain(self, c)
10286 
10287 
10288  def set_residue_index(self, i):
10289  """set_residue_index(Selection self, int i)"""
10290  return _IMP_atom.Selection_set_residue_index(self, i)
10291 
10292 
10293  def set_atom_type(self, types):
10294  """set_atom_type(Selection self, AtomType types)"""
10295  return _IMP_atom.Selection_set_atom_type(self, types)
10296 
10297 
10298  def set_residue_type(self, type):
10299  """set_residue_type(Selection self, ResidueType type)"""
10300  return _IMP_atom.Selection_set_residue_type(self, type)
10301 
10302 
10303  def set_domain(self, name):
10304  """set_domain(Selection self, std::string name)"""
10305  return _IMP_atom.Selection_set_domain(self, name)
10306 
10307 
10308  def set_copy_index(self, copy):
10309  """set_copy_index(Selection self, unsigned int copy)"""
10310  return _IMP_atom.Selection_set_copy_index(self, copy)
10311 
10312 
10313  def set_copy_indexes(self, copies):
10314  """set_copy_indexes(Selection self, IMP::Ints copies)"""
10315  return _IMP_atom.Selection_set_copy_indexes(self, copies)
10316 
10317 
10318  def set_particle_type(self, t):
10319  """set_particle_type(Selection self, ParticleType t)"""
10320  return _IMP_atom.Selection_set_particle_type(self, t)
10321 
10322 
10323  def set_particle_types(self, t):
10324  """set_particle_types(Selection self, IMP::core::ParticleTypes t)"""
10325  return _IMP_atom.Selection_set_particle_types(self, t)
10326 
10327 
10328  def set_hierarchy_types(self, types):
10329  """set_hierarchy_types(Selection self, IMP::Ints types)"""
10330  return _IMP_atom.Selection_set_hierarchy_types(self, types)
10331 
10332 
10333  def set_intersection(self, s):
10334  """set_intersection(Selection self, Selection s)"""
10335  return _IMP_atom.Selection_set_intersection(self, s)
10336 
10337 
10338  def set_union(self, s):
10339  """set_union(Selection self, Selection s)"""
10340  return _IMP_atom.Selection_set_union(self, s)
10341 
10342 
10343  def set_symmetric_difference(self, s):
10344  """set_symmetric_difference(Selection self, Selection s)"""
10345  return _IMP_atom.Selection_set_symmetric_difference(self, s)
10346 
10347 
10348  def set_difference(self, s):
10349  """set_difference(Selection self, Selection s)"""
10350  return _IMP_atom.Selection_set_difference(self, s)
10351 
10352 
10353  def get_selected_particles(self, with_representation=True):
10354  """
10355  get_selected_particles(Selection self, bool with_representation=True) -> IMP::ParticlesTemp
10356  get_selected_particles(Selection self) -> IMP::ParticlesTemp
10357  """
10358  return _IMP_atom.Selection_get_selected_particles(self, with_representation)
10359 
10360 
10361  def get_selected_particle_indexes(self, with_representation=True):
10362  """
10363  get_selected_particle_indexes(Selection self, bool with_representation=True) -> IMP::ParticleIndexes
10364  get_selected_particle_indexes(Selection self) -> IMP::ParticleIndexes
10365  """
10366  return _IMP_atom.Selection_get_selected_particle_indexes(self, with_representation)
10367 
10368 
10369  def show(self, *args):
10370  """
10371  show(Selection self, _ostream out)
10372  show(Selection self)
10373  """
10374  return _IMP_atom.Selection_show(self, *args)
10375 
10376 
10377  def __str__(self):
10378  """__str__(Selection self) -> std::string"""
10379  return _IMP_atom.Selection___str__(self)
10380 
10381 
10382  def __repr__(self):
10383  """__repr__(Selection self) -> std::string"""
10384  return _IMP_atom.Selection___repr__(self)
10385 
10386 
10387  def __init__(self, hierarchy=None,
10388  hierarchies=None, **params):
10389  if hierarchy and hierarchies:
10390  raise RuntimeError("You can't pass both hierarchy and hierarchies to Selection")
10391  if hierarchy:
10392  this = _IMP_atom.new_Selection(hierarchy)
10393  try: self.this.append(this)
10394  except: self.this = this
10395  elif hierarchies:
10396  this = _IMP_atom.new_Selection(hierarchies)
10397  try: self.this.append(this)
10398  except: self.this = this
10399  else:
10400  raise ValueError("Either hierarchy or hierarchies must be provided.")
10401  for k in params.keys():
10402  eval("self.set_%s(params[k])"%k)
10403 
10404  def union(self, s):
10405  news = self.create_clone()
10406  news.union_update(s)
10407  return news
10408  def intersection(self, s):
10409  news = self.create_clone()
10410  news.intersection_update(s)
10411  return news
10412  def symmetric_difference(self, s):
10413  news = self.create_clone()
10414  news.symmetric_difference_update(s)
10415  return news
10416  def difference(self, s):
10417  news = self.create_clone()
10418  news.difference_update(s)
10419  return news
10420  def union_update(self, s):
10421  self.set_union(s)
10422  return self
10423  def intersection_update(self, s):
10424  self.set_intersection(s)
10425  return self
10426  def symmetric_difference_update(self, s):
10427  self.set_symmetric_difference(s)
10428  return self
10429  def difference_update(self, s):
10430  self.set_difference(s)
10431  return self
10432  __or__ = union
10433  __and__ = intersection
10434  __xor__ = symmetric_difference
10435  __sub__ = difference
10436  __ior__ = union_update
10437  __iand__ = intersection_update
10438  __ixor__ = symmetric_difference_update
10439  __isub__ = difference_update
10440 
10441  __swig_destroy__ = _IMP_atom.delete_Selection
10442  __del__ = lambda self: None
10443 Selection_swigregister = _IMP_atom.Selection_swigregister
10444 Selection_swigregister(Selection)
10445 
10446 
10447 def create_distance_restraint(*args):
10448  """
10449  create_distance_restraint(Selection n0, Selection n1, double x0, double k, std::string name) -> Restraint
10450  create_distance_restraint(Selection n0, Selection n1, double x0, double k) -> Restraint
10451  """
10452  return _IMP_atom.create_distance_restraint(*args)
10453 
10455  """
10456  create_connectivity_restraint(IMP::atom::Selections const & s, double k, std::string name) -> Restraint
10457  create_connectivity_restraint(IMP::atom::Selections const & s, double k) -> Restraint
10458  create_connectivity_restraint(IMP::atom::Selections const & s, double x0, double k, std::string name) -> Restraint
10459  create_connectivity_restraint(IMP::atom::Selections const & s, double x0, double k) -> Restraint
10460  """
10461  return _IMP_atom.create_connectivity_restraint(*args)
10462 
10464  """
10465  create_internal_connectivity_restraint(Selection s, double k, std::string name) -> Restraint
10466  create_internal_connectivity_restraint(Selection s, double k) -> Restraint
10467  create_internal_connectivity_restraint(Selection s, double x0, double k, std::string name) -> Restraint
10468  create_internal_connectivity_restraint(Selection s, double x0, double k) -> Restraint
10469  """
10470  return _IMP_atom.create_internal_connectivity_restraint(*args)
10471 
10472 def create_cover(*args):
10473  """
10474  create_cover(Selection s, std::string name) -> XYZR
10475  create_cover(Selection s) -> XYZR
10476  """
10477  return _IMP_atom.create_cover(*args)
10478 
10479 def get_mass(*args):
10480  """
10481  get_mass(ResidueType c) -> double
10482  get_mass(Selection s) -> double
10483  """
10484  return _IMP_atom.get_mass(*args)
10485 
10486 def get_volume(s):
10487  """get_volume(Selection s) -> double"""
10488  return _IMP_atom.get_volume(s)
10489 
10490 def get_surface_area(s):
10491  """get_surface_area(Selection s) -> double"""
10492  return _IMP_atom.get_surface_area(s)
10493 
10494 def get_leaves(*args):
10495  """
10496  get_leaves(Hierarchy h) -> IMP::atom::Hierarchies
10497  get_leaves(IMP::atom::Hierarchies const & h) -> IMP::atom::Hierarchies
10498  get_leaves(Selection h) -> IMP::atom::Hierarchies
10499  """
10500  return _IMP_atom.get_leaves(*args)
10501 class SelectionGeometry(IMP.display.Geometry):
10502  """Proxy of C++ IMP::atom::SelectionGeometry class."""
10503 
10504  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10505 
10506  def __init__(self, *args):
10507  """
10508  __init__(IMP::atom::SelectionGeometry self, Selection d, std::string name) -> SelectionGeometry
10509  __init__(IMP::atom::SelectionGeometry self, Selection d) -> SelectionGeometry
10510  """
10511  this = _IMP_atom.new_SelectionGeometry(*args)
10512  try:
10513  self.this.append(this)
10514  except __builtin__.Exception:
10515  self.this = this
10516 
10517  def get_version_info(self):
10518  """get_version_info(SelectionGeometry self) -> VersionInfo"""
10519  return _IMP_atom.SelectionGeometry_get_version_info(self)
10520 
10521 
10522  def __str__(self):
10523  """__str__(SelectionGeometry self) -> std::string"""
10524  return _IMP_atom.SelectionGeometry___str__(self)
10525 
10526 
10527  def __repr__(self):
10528  """__repr__(SelectionGeometry self) -> std::string"""
10529  return _IMP_atom.SelectionGeometry___repr__(self)
10530 
10531 
10532  @staticmethod
10533  def get_from(o):
10534  return _object_cast_to_SelectionGeometry(o)
10535 
10536 SelectionGeometry_swigregister = _IMP_atom.SelectionGeometry_swigregister
10537 SelectionGeometry_swigregister(SelectionGeometry)
10538 
10539 
10540 def get_rmsd(*args):
10541  """
10542  get_rmsd(IMP::core::XYZs const & s0, IMP::core::XYZs const & s1) -> double
10543  get_rmsd(Selection s0, Selection s1) -> double
10544  """
10545  return _IMP_atom.get_rmsd(*args)
10546 
10547 def get_rmsd_transforming_first(*args):
10548  """
10549  get_rmsd_transforming_first(Transformation3D tr, IMP::core::XYZs const & s0, IMP::core::XYZs const & s1) -> double
10550  get_rmsd_transforming_first(Transformation3D tr, Selection s0, Selection s1) -> double
10551  """
10552  return _IMP_atom.get_rmsd_transforming_first(*args)
10553 
10554 def get_placement_score(source, target):
10555  """get_placement_score(IMP::core::XYZs const & source, IMP::core::XYZs const & target) -> IMP::FloatPair"""
10556  return _IMP_atom.get_placement_score(source, target)
10557 
10558 def get_component_placement_score(ref1, ref2, mdl1, mdl2):
10559  """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"""
10560  return _IMP_atom.get_component_placement_score(ref1, ref2, mdl1, mdl2)
10561 
10562 def get_pairwise_rmsd_score(ref1, ref2, mdl1, mdl2):
10563  """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"""
10564  return _IMP_atom.get_pairwise_rmsd_score(ref1, ref2, mdl1, mdl2)
10565 
10566 def get_radius_of_gyration(*args):
10567  """
10568  get_radius_of_gyration(Selection s) -> double
10569  get_radius_of_gyration(IMP::ParticlesTemp const & ps, bool weighted=True) -> double
10570  get_radius_of_gyration(IMP::ParticlesTemp const & ps) -> double
10571  """
10572  return _IMP_atom.get_radius_of_gyration(*args)
10573 class ForceFieldParameters(IMP.Object):
10574  """Proxy of C++ IMP::atom::ForceFieldParameters class."""
10575 
10576  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10577 
10578  def __init__(self):
10579  """__init__(IMP::atom::ForceFieldParameters self) -> ForceFieldParameters"""
10580  this = _IMP_atom.new_ForceFieldParameters()
10581  try:
10582  self.this.append(this)
10583  except __builtin__.Exception:
10584  self.this = this
10585 
10586  def get_radius(self, atom):
10587  """get_radius(ForceFieldParameters self, Atom atom) -> IMP::Float"""
10588  return _IMP_atom.ForceFieldParameters_get_radius(self, atom)
10589 
10590 
10591  def get_epsilon(self, atom):
10592  """get_epsilon(ForceFieldParameters self, Atom atom) -> IMP::Float"""
10593  return _IMP_atom.ForceFieldParameters_get_epsilon(self, atom)
10594 
10595 
10596  def add_radii(self, *args):
10597  """
10598  add_radii(ForceFieldParameters self, Hierarchy mhd, double scale=1.0, FloatKey radius_key)
10599  add_radii(ForceFieldParameters self, Hierarchy mhd, double scale=1.0)
10600  add_radii(ForceFieldParameters self, Hierarchy mhd)
10601  """
10602  return _IMP_atom.ForceFieldParameters_add_radii(self, *args)
10603 
10604 
10605  def add_well_depths(self, mhd):
10606  """add_well_depths(ForceFieldParameters self, Hierarchy mhd)"""
10607  return _IMP_atom.ForceFieldParameters_add_well_depths(self, mhd)
10608 
10609 
10610  def add_bonds(self, mhd):
10611  """add_bonds(ForceFieldParameters self, Hierarchy mhd)"""
10612  return _IMP_atom.ForceFieldParameters_add_bonds(self, mhd)
10613 
10614  __swig_destroy__ = _IMP_atom.delete_ForceFieldParameters
10615  __del__ = lambda self: None
10616 
10617  def __str__(self):
10618  """__str__(ForceFieldParameters self) -> std::string"""
10619  return _IMP_atom.ForceFieldParameters___str__(self)
10620 
10621 
10622  def __repr__(self):
10623  """__repr__(ForceFieldParameters self) -> std::string"""
10624  return _IMP_atom.ForceFieldParameters___repr__(self)
10625 
10626 
10627  @staticmethod
10628  def get_from(o):
10629  return _object_cast_to_ForceFieldParameters(o)
10630 
10631 ForceFieldParameters_swigregister = _IMP_atom.ForceFieldParameters_swigregister
10632 ForceFieldParameters_swigregister(ForceFieldParameters)
10633 
10634 class CHARMMAtomTopology(object):
10635  """Proxy of C++ IMP::atom::CHARMMAtomTopology class."""
10636 
10637  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10638 
10639  def __init__(self, *args):
10640  """
10641  __init__(IMP::atom::CHARMMAtomTopology self, std::string name) -> CHARMMAtomTopology
10642  __init__(IMP::atom::CHARMMAtomTopology self, std::string name, CHARMMAtomTopology other) -> CHARMMAtomTopology
10643  """
10644  this = _IMP_atom.new_CHARMMAtomTopology(*args)
10645  try:
10646  self.this.append(this)
10647  except __builtin__.Exception:
10648  self.this = this
10649 
10650  def get_name(self):
10651  """get_name(CHARMMAtomTopology self) -> std::string"""
10652  return _IMP_atom.CHARMMAtomTopology_get_name(self)
10653 
10654 
10655  def get_charmm_type(self):
10656  """get_charmm_type(CHARMMAtomTopology self) -> std::string"""
10657  return _IMP_atom.CHARMMAtomTopology_get_charmm_type(self)
10658 
10659 
10660  def get_charge(self):
10661  """get_charge(CHARMMAtomTopology self) -> double"""
10662  return _IMP_atom.CHARMMAtomTopology_get_charge(self)
10663 
10664 
10665  def set_charmm_type(self, charmm_type):
10666  """set_charmm_type(CHARMMAtomTopology self, std::string charmm_type)"""
10667  return _IMP_atom.CHARMMAtomTopology_set_charmm_type(self, charmm_type)
10668 
10669 
10670  def set_charge(self, charge):
10671  """set_charge(CHARMMAtomTopology self, double charge)"""
10672  return _IMP_atom.CHARMMAtomTopology_set_charge(self, charge)
10673 
10674 
10675  def show(self, *args):
10676  """
10677  show(CHARMMAtomTopology self, _ostream out)
10678  show(CHARMMAtomTopology self)
10679  """
10680  return _IMP_atom.CHARMMAtomTopology_show(self, *args)
10681 
10682 
10683  def __str__(self):
10684  """__str__(CHARMMAtomTopology self) -> std::string"""
10685  return _IMP_atom.CHARMMAtomTopology___str__(self)
10686 
10687 
10688  def __repr__(self):
10689  """__repr__(CHARMMAtomTopology self) -> std::string"""
10690  return _IMP_atom.CHARMMAtomTopology___repr__(self)
10691 
10692  __swig_destroy__ = _IMP_atom.delete_CHARMMAtomTopology
10693  __del__ = lambda self: None
10694 CHARMMAtomTopology_swigregister = _IMP_atom.CHARMMAtomTopology_swigregister
10695 CHARMMAtomTopology_swigregister(CHARMMAtomTopology)
10696 
10697 class CHARMMBondEndpoint(object):
10698  """Proxy of C++ IMP::atom::CHARMMBondEndpoint class."""
10699 
10700  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10701 
10702  def __init__(self, atom_name, residue=None):
10703  """
10704  __init__(IMP::atom::CHARMMBondEndpoint self, std::string atom_name, CHARMMResidueTopology residue=None) -> CHARMMBondEndpoint
10705  __init__(IMP::atom::CHARMMBondEndpoint self, std::string atom_name) -> CHARMMBondEndpoint
10706  """
10707  this = _IMP_atom.new_CHARMMBondEndpoint(atom_name, residue)
10708  try:
10709  self.this.append(this)
10710  except __builtin__.Exception:
10711  self.this = this
10712 
10713  def get_atom_name(self):
10714  """get_atom_name(CHARMMBondEndpoint self) -> std::string"""
10715  return _IMP_atom.CHARMMBondEndpoint_get_atom_name(self)
10716 
10717 
10718  def get_atom(self, current_residue, previous_residue, next_residue, resmap):
10719  """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"""
10720  return _IMP_atom.CHARMMBondEndpoint_get_atom(self, current_residue, previous_residue, next_residue, resmap)
10721 
10722 
10723  def show(self, *args):
10724  """
10725  show(CHARMMBondEndpoint self, _ostream out)
10726  show(CHARMMBondEndpoint self)
10727  """
10728  return _IMP_atom.CHARMMBondEndpoint_show(self, *args)
10729 
10730 
10731  def __str__(self):
10732  """__str__(CHARMMBondEndpoint self) -> std::string"""
10733  return _IMP_atom.CHARMMBondEndpoint___str__(self)
10734 
10735 
10736  def __repr__(self):
10737  """__repr__(CHARMMBondEndpoint self) -> std::string"""
10738  return _IMP_atom.CHARMMBondEndpoint___repr__(self)
10739 
10740  __swig_destroy__ = _IMP_atom.delete_CHARMMBondEndpoint
10741  __del__ = lambda self: None
10742 CHARMMBondEndpoint_swigregister = _IMP_atom.CHARMMBondEndpoint_swigregister
10743 CHARMMBondEndpoint_swigregister(CHARMMBondEndpoint)
10744 
10745 class CHARMMDihedral(object):
10746  """Proxy of C++ IMP::atom::CHARMMConnection<(4)> class."""
10747 
10748  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10749  __repr__ = _swig_repr
10750 
10751  def __init__(self, atoms):
10752  """__init__(IMP::atom::CHARMMConnection<(4)> self, IMP::Strings const & atoms) -> CHARMMDihedral"""
10753  this = _IMP_atom.new_CHARMMDihedral(atoms)
10754  try:
10755  self.this.append(this)
10756  except __builtin__.Exception:
10757  self.this = this
10758 
10759  def get_endpoint(self, i):
10760  """get_endpoint(CHARMMDihedral self, unsigned int i) -> CHARMMBondEndpoint"""
10761  return _IMP_atom.CHARMMDihedral_get_endpoint(self, i)
10762 
10763 
10764  def get_contains_atom(self, name):
10765  """get_contains_atom(CHARMMDihedral self, std::string name) -> bool"""
10766  return _IMP_atom.CHARMMDihedral_get_contains_atom(self, name)
10767 
10768 
10769  def show(self, *args):
10770  """
10771  show(CHARMMDihedral self, _ostream out)
10772  show(CHARMMDihedral self)
10773  """
10774  return _IMP_atom.CHARMMDihedral_show(self, *args)
10775 
10776  __swig_destroy__ = _IMP_atom.delete_CHARMMDihedral
10777  __del__ = lambda self: None
10778 CHARMMDihedral_swigregister = _IMP_atom.CHARMMDihedral_swigregister
10779 CHARMMDihedral_swigregister(CHARMMDihedral)
10780 
10781 class CHARMMInternalCoordinate(CHARMMDihedral):
10782  """Proxy of C++ IMP::atom::CHARMMInternalCoordinate class."""
10783 
10784  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10785 
10786  def __init__(self, *args):
10787  """
10788  __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
10789  __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
10790  """
10791  this = _IMP_atom.new_CHARMMInternalCoordinate(*args)
10792  try:
10793  self.this.append(this)
10794  except __builtin__.Exception:
10795  self.this = this
10796 
10797  def get_first_distance(self):
10798  """get_first_distance(CHARMMInternalCoordinate self) -> float"""
10799  return _IMP_atom.CHARMMInternalCoordinate_get_first_distance(self)
10800 
10801 
10802  def get_second_distance(self):
10803  """get_second_distance(CHARMMInternalCoordinate self) -> float"""
10804  return _IMP_atom.CHARMMInternalCoordinate_get_second_distance(self)
10805 
10806 
10807  def get_first_angle(self):
10808  """get_first_angle(CHARMMInternalCoordinate self) -> float"""
10809  return _IMP_atom.CHARMMInternalCoordinate_get_first_angle(self)
10810 
10811 
10812  def get_second_angle(self):
10813  """get_second_angle(CHARMMInternalCoordinate self) -> float"""
10814  return _IMP_atom.CHARMMInternalCoordinate_get_second_angle(self)
10815 
10816 
10817  def get_dihedral(self):
10818  """get_dihedral(CHARMMInternalCoordinate self) -> float"""
10819  return _IMP_atom.CHARMMInternalCoordinate_get_dihedral(self)
10820 
10821 
10822  def get_improper(self):
10823  """get_improper(CHARMMInternalCoordinate self) -> bool"""
10824  return _IMP_atom.CHARMMInternalCoordinate_get_improper(self)
10825 
10826 
10827  def show(self, *args):
10828  """
10829  show(CHARMMInternalCoordinate self, _ostream out)
10830  show(CHARMMInternalCoordinate self)
10831  """
10832  return _IMP_atom.CHARMMInternalCoordinate_show(self, *args)
10833 
10834 
10835  def __str__(self):
10836  """__str__(CHARMMInternalCoordinate self) -> std::string"""
10837  return _IMP_atom.CHARMMInternalCoordinate___str__(self)
10838 
10839 
10840  def __repr__(self):
10841  """__repr__(CHARMMInternalCoordinate self) -> std::string"""
10842  return _IMP_atom.CHARMMInternalCoordinate___repr__(self)
10843 
10844  __swig_destroy__ = _IMP_atom.delete_CHARMMInternalCoordinate
10845  __del__ = lambda self: None
10846 CHARMMInternalCoordinate_swigregister = _IMP_atom.CHARMMInternalCoordinate_swigregister
10847 CHARMMInternalCoordinate_swigregister(CHARMMInternalCoordinate)
10848 
10849 class CHARMMResidueTopologyBase(IMP.Object):
10850  """Proxy of C++ IMP::atom::CHARMMResidueTopologyBase class."""
10851 
10852  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10853 
10854  def __init__(self, *args, **kwargs):
10855  raise AttributeError("No constructor defined")
10856 
10857  def get_type(self):
10858  """get_type(CHARMMResidueTopologyBase self) -> std::string"""
10859  return _IMP_atom.CHARMMResidueTopologyBase_get_type(self)
10860 
10861 
10862  def get_number_of_atoms(self):
10863  """get_number_of_atoms(CHARMMResidueTopologyBase self) -> unsigned int"""
10864  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_atoms(self)
10865 
10866 
10867  def add_atom(self, atom):
10868  """add_atom(CHARMMResidueTopologyBase self, CHARMMAtomTopology atom)"""
10869  return _IMP_atom.CHARMMResidueTopologyBase_add_atom(self, atom)
10870 
10871 
10872  def get_atom(self, *args):
10873  """
10874  get_atom(CHARMMResidueTopologyBase self, unsigned int i) -> CHARMMAtomTopology
10875  get_atom(CHARMMResidueTopologyBase self, AtomType type) -> CHARMMAtomTopology
10876  get_atom(CHARMMResidueTopologyBase self, std::string name) -> CHARMMAtomTopology
10877  """
10878  return _IMP_atom.CHARMMResidueTopologyBase_get_atom(self, *args)
10879 
10880 
10881  def get_number_of_bonds(self):
10882  """get_number_of_bonds(CHARMMResidueTopologyBase self) -> unsigned int"""
10883  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_bonds(self)
10884 
10885 
10886  def add_bond(self, bond):
10887  """add_bond(CHARMMResidueTopologyBase self, CHARMMBond bond)"""
10888  return _IMP_atom.CHARMMResidueTopologyBase_add_bond(self, bond)
10889 
10890 
10891  def get_number_of_angles(self):
10892  """get_number_of_angles(CHARMMResidueTopologyBase self) -> unsigned int"""
10893  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_angles(self)
10894 
10895 
10896  def add_angle(self, bond):
10897  """add_angle(CHARMMResidueTopologyBase self, CHARMMAngle bond)"""
10898  return _IMP_atom.CHARMMResidueTopologyBase_add_angle(self, bond)
10899 
10900 
10901  def get_number_of_dihedrals(self):
10902  """get_number_of_dihedrals(CHARMMResidueTopologyBase self) -> unsigned int"""
10903  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_dihedrals(self)
10904 
10905 
10906  def add_dihedral(self, bond):
10907  """add_dihedral(CHARMMResidueTopologyBase self, CHARMMDihedral bond)"""
10908  return _IMP_atom.CHARMMResidueTopologyBase_add_dihedral(self, bond)
10909 
10910 
10911  def get_number_of_impropers(self):
10912  """get_number_of_impropers(CHARMMResidueTopologyBase self) -> unsigned int"""
10913  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_impropers(self)
10914 
10915 
10916  def add_improper(self, bond):
10917  """add_improper(CHARMMResidueTopologyBase self, CHARMMDihedral bond)"""
10918  return _IMP_atom.CHARMMResidueTopologyBase_add_improper(self, bond)
10919 
10920 
10921  def get_number_of_internal_coordinates(self):
10922  """get_number_of_internal_coordinates(CHARMMResidueTopologyBase self) -> unsigned int"""
10923  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_internal_coordinates(self)
10924 
10925 
10926  def add_internal_coordinate(self, ic):
10927  """add_internal_coordinate(CHARMMResidueTopologyBase self, CHARMMInternalCoordinate ic)"""
10928  return _IMP_atom.CHARMMResidueTopologyBase_add_internal_coordinate(self, ic)
10929 
10930 
10931  def get_internal_coordinate(self, index):
10932  """get_internal_coordinate(CHARMMResidueTopologyBase self, unsigned int index) -> CHARMMInternalCoordinate"""
10933  return _IMP_atom.CHARMMResidueTopologyBase_get_internal_coordinate(self, index)
10934 
10935 
10936  def get_bond(self, index):
10937  """get_bond(CHARMMResidueTopologyBase self, unsigned int index) -> CHARMMBond"""
10938  return _IMP_atom.CHARMMResidueTopologyBase_get_bond(self, index)
10939 
10940 
10941  def get_angle(self, index):
10942  """get_angle(CHARMMResidueTopologyBase self, unsigned int index) -> CHARMMAngle"""
10943  return _IMP_atom.CHARMMResidueTopologyBase_get_angle(self, index)
10944 
10945 
10946  def get_dihedral(self, index):
10947  """get_dihedral(CHARMMResidueTopologyBase self, unsigned int index) -> CHARMMDihedral"""
10948  return _IMP_atom.CHARMMResidueTopologyBase_get_dihedral(self, index)
10949 
10950 
10951  def get_improper(self, index):
10952  """get_improper(CHARMMResidueTopologyBase self, unsigned int index) -> CHARMMDihedral"""
10953  return _IMP_atom.CHARMMResidueTopologyBase_get_improper(self, index)
10954 
10955 
10956  def get_version_info(self):
10957  """get_version_info(CHARMMResidueTopologyBase self) -> VersionInfo"""
10958  return _IMP_atom.CHARMMResidueTopologyBase_get_version_info(self)
10959 
10960 
10961  def __str__(self):
10962  """__str__(CHARMMResidueTopologyBase self) -> std::string"""
10963  return _IMP_atom.CHARMMResidueTopologyBase___str__(self)
10964 
10965 
10966  def __repr__(self):
10967  """__repr__(CHARMMResidueTopologyBase self) -> std::string"""
10968  return _IMP_atom.CHARMMResidueTopologyBase___repr__(self)
10969 
10970 
10971  @staticmethod
10972  def get_from(o):
10973  return _object_cast_to_CHARMMResidueTopologyBase(o)
10974 
10975 CHARMMResidueTopologyBase_swigregister = _IMP_atom.CHARMMResidueTopologyBase_swigregister
10976 CHARMMResidueTopologyBase_swigregister(CHARMMResidueTopologyBase)
10977 
10978 class CHARMMIdealResidueTopology(CHARMMResidueTopologyBase):
10979  """Proxy of C++ IMP::atom::CHARMMIdealResidueTopology class."""
10980 
10981  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10982 
10983  def __init__(self, *args):
10984  """
10985  __init__(IMP::atom::CHARMMIdealResidueTopology self, std::string type) -> CHARMMIdealResidueTopology
10986  __init__(IMP::atom::CHARMMIdealResidueTopology self, ResidueType type) -> CHARMMIdealResidueTopology
10987  """
10988  this = _IMP_atom.new_CHARMMIdealResidueTopology(*args)
10989  try:
10990  self.this.append(this)
10991  except __builtin__.Exception:
10992  self.this = this
10993 
10994  def remove_atom(self, name):
10995  """remove_atom(CHARMMIdealResidueTopology self, std::string name)"""
10996  return _IMP_atom.CHARMMIdealResidueTopology_remove_atom(self, name)
10997 
10998 
10999  def set_default_first_patch(self, patch):
11000  """set_default_first_patch(CHARMMIdealResidueTopology self, std::string patch)"""
11001  return _IMP_atom.CHARMMIdealResidueTopology_set_default_first_patch(self, patch)
11002 
11003 
11004  def set_default_last_patch(self, patch):
11005  """set_default_last_patch(CHARMMIdealResidueTopology self, std::string patch)"""
11006  return _IMP_atom.CHARMMIdealResidueTopology_set_default_last_patch(self, patch)
11007 
11008 
11009  def get_default_first_patch(self):
11010  """get_default_first_patch(CHARMMIdealResidueTopology self) -> std::string"""
11011  return _IMP_atom.CHARMMIdealResidueTopology_get_default_first_patch(self)
11012 
11013 
11014  def get_default_last_patch(self):
11015  """get_default_last_patch(CHARMMIdealResidueTopology self) -> std::string"""
11016  return _IMP_atom.CHARMMIdealResidueTopology_get_default_last_patch(self)
11017 
11018 
11019  def __str__(self):
11020  """__str__(CHARMMIdealResidueTopology self) -> std::string"""
11021  return _IMP_atom.CHARMMIdealResidueTopology___str__(self)
11022 
11023 
11024  def __repr__(self):
11025  """__repr__(CHARMMIdealResidueTopology self) -> std::string"""
11026  return _IMP_atom.CHARMMIdealResidueTopology___repr__(self)
11027 
11028 
11029  @staticmethod
11030  def get_from(o):
11031  return _object_cast_to_CHARMMIdealResidueTopology(o)
11032 
11033 CHARMMIdealResidueTopology_swigregister = _IMP_atom.CHARMMIdealResidueTopology_swigregister
11034 CHARMMIdealResidueTopology_swigregister(CHARMMIdealResidueTopology)
11035 
11036 class CHARMMPatch(CHARMMResidueTopologyBase):
11037  """Proxy of C++ IMP::atom::CHARMMPatch class."""
11038 
11039  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11040 
11041  def __init__(self, type):
11042  """__init__(IMP::atom::CHARMMPatch self, std::string type) -> CHARMMPatch"""
11043  this = _IMP_atom.new_CHARMMPatch(type)
11044  try:
11045  self.this.append(this)
11046  except __builtin__.Exception:
11047  self.this = this
11048 
11049  def add_removed_atom(self, name):
11050  """add_removed_atom(CHARMMPatch self, std::string name)"""
11051  return _IMP_atom.CHARMMPatch_add_removed_atom(self, name)
11052 
11053 
11054  def get_number_of_removed_atoms(self):
11055  """get_number_of_removed_atoms(CHARMMPatch self) -> unsigned int"""
11056  return _IMP_atom.CHARMMPatch_get_number_of_removed_atoms(self)
11057 
11058 
11059  def get_removed_atom(self, i):
11060  """get_removed_atom(CHARMMPatch self, unsigned int i) -> std::string"""
11061  return _IMP_atom.CHARMMPatch_get_removed_atom(self, i)
11062 
11063 
11064  def apply(self, *args):
11065  """
11066  apply(CHARMMPatch self, CHARMMResidueTopology res)
11067  apply(CHARMMPatch self, CHARMMResidueTopology res1, CHARMMResidueTopology res2)
11068  """
11069  return _IMP_atom.CHARMMPatch_apply(self, *args)
11070 
11071 
11072  def __str__(self):
11073  """__str__(CHARMMPatch self) -> std::string"""
11074  return _IMP_atom.CHARMMPatch___str__(self)
11075 
11076 
11077  def __repr__(self):
11078  """__repr__(CHARMMPatch self) -> std::string"""
11079  return _IMP_atom.CHARMMPatch___repr__(self)
11080 
11081 
11082  @staticmethod
11083  def get_from(o):
11084  return _object_cast_to_CHARMMPatch(o)
11085 
11086 CHARMMPatch_swigregister = _IMP_atom.CHARMMPatch_swigregister
11087 CHARMMPatch_swigregister(CHARMMPatch)
11088 
11089 class CHARMMResidueTopology(CHARMMIdealResidueTopology):
11090  """Proxy of C++ IMP::atom::CHARMMResidueTopology class."""
11091 
11092  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11093 
11094  def __init__(self, *args):
11095  """
11096  __init__(IMP::atom::CHARMMResidueTopology self, ResidueType type) -> CHARMMResidueTopology
11097  __init__(IMP::atom::CHARMMResidueTopology self, CHARMMIdealResidueTopology ideal) -> CHARMMResidueTopology
11098  """
11099  this = _IMP_atom.new_CHARMMResidueTopology(*args)
11100  try:
11101  self.this.append(this)
11102  except __builtin__.Exception:
11103  self.this = this
11104 
11105  def get_patched(self):
11106  """get_patched(CHARMMResidueTopology self) -> bool"""
11107  return _IMP_atom.CHARMMResidueTopology_get_patched(self)
11108 
11109 
11110  def set_patched(self, patched):
11111  """set_patched(CHARMMResidueTopology self, bool patched)"""
11112  return _IMP_atom.CHARMMResidueTopology_set_patched(self, patched)
11113 
11114 
11115  def __str__(self):
11116  """__str__(CHARMMResidueTopology self) -> std::string"""
11117  return _IMP_atom.CHARMMResidueTopology___str__(self)
11118 
11119 
11120  def __repr__(self):
11121  """__repr__(CHARMMResidueTopology self) -> std::string"""
11122  return _IMP_atom.CHARMMResidueTopology___repr__(self)
11123 
11124 
11125  @staticmethod
11126  def get_from(o):
11127  return _object_cast_to_CHARMMResidueTopology(o)
11128 
11129 CHARMMResidueTopology_swigregister = _IMP_atom.CHARMMResidueTopology_swigregister
11130 CHARMMResidueTopology_swigregister(CHARMMResidueTopology)
11131 
11132 class CHARMMAtom(Atom):
11133  """Proxy of C++ IMP::atom::CHARMMAtom class."""
11134 
11135  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11136 
11137  def __init__(self, *args):
11138  """
11139  __init__(IMP::atom::CHARMMAtom self) -> CHARMMAtom
11140  __init__(IMP::atom::CHARMMAtom self, Model m, ParticleIndex id) -> CHARMMAtom
11141  __init__(IMP::atom::CHARMMAtom self, _ParticleAdaptor d) -> CHARMMAtom
11142  """
11143  this = _IMP_atom.new_CHARMMAtom(*args)
11144  try:
11145  self.this.append(this)
11146  except __builtin__.Exception:
11147  self.this = this
11148 
11149  def show(self, *args):
11150  """
11151  show(CHARMMAtom self, _ostream out)
11152  show(CHARMMAtom self)
11153  """
11154  return _IMP_atom.CHARMMAtom_show(self, *args)
11155 
11156 
11157  def setup_particle(*args):
11158  """
11159  setup_particle(Model m, ParticleIndex pi, IMP::String charmm_type) -> CHARMMAtom
11160  setup_particle(_ParticleAdaptor decorator, IMP::String charmm_type) -> CHARMMAtom
11161  """
11162  return _IMP_atom.CHARMMAtom_setup_particle(*args)
11163 
11164  setup_particle = staticmethod(setup_particle)
11165 
11166  def get_charmm_type(self):
11167  """get_charmm_type(CHARMMAtom self) -> IMP::String"""
11168  return _IMP_atom.CHARMMAtom_get_charmm_type(self)
11169 
11170 
11171  def set_charmm_type(self, t):
11172  """set_charmm_type(CHARMMAtom self, IMP::String t)"""
11173  return _IMP_atom.CHARMMAtom_set_charmm_type(self, t)
11174 
11175 
11176  def get_is_setup(*args):
11177  """
11178  get_is_setup(_ParticleAdaptor p) -> bool
11179  get_is_setup(Model m, ParticleIndex pi) -> bool
11180  """
11181  return _IMP_atom.CHARMMAtom_get_is_setup(*args)
11182 
11183  get_is_setup = staticmethod(get_is_setup)
11184 
11185  def get_charmm_type_key():
11186  """get_charmm_type_key() -> StringKey"""
11187  return _IMP_atom.CHARMMAtom_get_charmm_type_key()
11188 
11189  get_charmm_type_key = staticmethod(get_charmm_type_key)
11190 
11191  def add_attribute(self, *args):
11192  """
11193  add_attribute(CHARMMAtom self, FloatKey k, IMP::Float v, bool opt)
11194  add_attribute(CHARMMAtom self, FloatKey a0, IMP::Float a1)
11195  add_attribute(CHARMMAtom self, IntKey a0, IMP::Int a1)
11196  add_attribute(CHARMMAtom self, StringKey a0, IMP::String a1)
11197  add_attribute(CHARMMAtom self, ParticleIndexKey a0, Particle a1)
11198  add_attribute(CHARMMAtom self, ObjectKey a0, Object a1)
11199  """
11200  return _IMP_atom.CHARMMAtom_add_attribute(self, *args)
11201 
11202 
11203  def get_value(self, *args):
11204  """
11205  get_value(CHARMMAtom self, FloatKey a0) -> IMP::Float
11206  get_value(CHARMMAtom self, IntKey a0) -> IMP::Int
11207  get_value(CHARMMAtom self, StringKey a0) -> IMP::String
11208  get_value(CHARMMAtom self, ParticleIndexKey a0) -> Particle
11209  get_value(CHARMMAtom self, ObjectKey a0) -> Object
11210  """
11211  return _IMP_atom.CHARMMAtom_get_value(self, *args)
11212 
11213 
11214  def set_value(self, *args):
11215  """
11216  set_value(CHARMMAtom self, FloatKey a0, IMP::Float a1)
11217  set_value(CHARMMAtom self, IntKey a0, IMP::Int a1)
11218  set_value(CHARMMAtom self, StringKey a0, IMP::String a1)
11219  set_value(CHARMMAtom self, ParticleIndexKey a0, Particle a1)
11220  set_value(CHARMMAtom self, ObjectKey a0, Object a1)
11221  """
11222  return _IMP_atom.CHARMMAtom_set_value(self, *args)
11223 
11224 
11225  def remove_attribute(self, *args):
11226  """
11227  remove_attribute(CHARMMAtom self, FloatKey a0)
11228  remove_attribute(CHARMMAtom self, IntKey a0)
11229  remove_attribute(CHARMMAtom self, StringKey a0)
11230  remove_attribute(CHARMMAtom self, ParticleIndexKey a0)
11231  remove_attribute(CHARMMAtom self, ObjectKey a0)
11232  """
11233  return _IMP_atom.CHARMMAtom_remove_attribute(self, *args)
11234 
11235 
11236  def has_attribute(self, *args):
11237  """
11238  has_attribute(CHARMMAtom self, FloatKey a0) -> bool
11239  has_attribute(CHARMMAtom self, IntKey a0) -> bool
11240  has_attribute(CHARMMAtom self, StringKey a0) -> bool
11241  has_attribute(CHARMMAtom self, ParticleIndexKey a0) -> bool
11242  has_attribute(CHARMMAtom self, ObjectKey a0) -> bool
11243  """
11244  return _IMP_atom.CHARMMAtom_has_attribute(self, *args)
11245 
11246 
11247  def get_derivative(self, a0):
11248  """get_derivative(CHARMMAtom self, FloatKey a0) -> double"""
11249  return _IMP_atom.CHARMMAtom_get_derivative(self, a0)
11250 
11251 
11252  def get_name(self):
11253  """get_name(CHARMMAtom self) -> std::string"""
11254  return _IMP_atom.CHARMMAtom_get_name(self)
11255 
11256 
11257  def clear_caches(self):
11258  """clear_caches(CHARMMAtom self)"""
11259  return _IMP_atom.CHARMMAtom_clear_caches(self)
11260 
11261 
11262  def set_name(self, a0):
11263  """set_name(CHARMMAtom self, std::string a0)"""
11264  return _IMP_atom.CHARMMAtom_set_name(self, a0)
11265 
11266 
11267  def set_check_level(self, a0):
11268  """set_check_level(CHARMMAtom self, IMP::CheckLevel a0)"""
11269  return _IMP_atom.CHARMMAtom_set_check_level(self, a0)
11270 
11271 
11272  def add_to_derivative(self, a0, a1, a2):
11273  """add_to_derivative(CHARMMAtom self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
11274  return _IMP_atom.CHARMMAtom_add_to_derivative(self, a0, a1, a2)
11275 
11276 
11277  def set_is_optimized(self, a0, a1):
11278  """set_is_optimized(CHARMMAtom self, FloatKey a0, bool a1)"""
11279  return _IMP_atom.CHARMMAtom_set_is_optimized(self, a0, a1)
11280 
11281 
11282  def get_is_optimized(self, a0):
11283  """get_is_optimized(CHARMMAtom self, FloatKey a0) -> bool"""
11284  return _IMP_atom.CHARMMAtom_get_is_optimized(self, a0)
11285 
11286 
11287  def get_check_level(self):
11288  """get_check_level(CHARMMAtom self) -> IMP::CheckLevel"""
11289  return _IMP_atom.CHARMMAtom_get_check_level(self)
11290 
11291 
11292  def __eq__(self, *args):
11293  """
11294  __eq__(CHARMMAtom self, CHARMMAtom o) -> bool
11295  __eq__(CHARMMAtom self, Particle d) -> bool
11296  """
11297  return _IMP_atom.CHARMMAtom___eq__(self, *args)
11298 
11299 
11300  def __ne__(self, *args):
11301  """
11302  __ne__(CHARMMAtom self, CHARMMAtom o) -> bool
11303  __ne__(CHARMMAtom self, Particle d) -> bool
11304  """
11305  return _IMP_atom.CHARMMAtom___ne__(self, *args)
11306 
11307 
11308  def __le__(self, *args):
11309  """
11310  __le__(CHARMMAtom self, CHARMMAtom o) -> bool
11311  __le__(CHARMMAtom self, Particle d) -> bool
11312  """
11313  return _IMP_atom.CHARMMAtom___le__(self, *args)
11314 
11315 
11316  def __lt__(self, *args):
11317  """
11318  __lt__(CHARMMAtom self, CHARMMAtom o) -> bool
11319  __lt__(CHARMMAtom self, Particle d) -> bool
11320  """
11321  return _IMP_atom.CHARMMAtom___lt__(self, *args)
11322 
11323 
11324  def __ge__(self, *args):
11325  """
11326  __ge__(CHARMMAtom self, CHARMMAtom o) -> bool
11327  __ge__(CHARMMAtom self, Particle d) -> bool
11328  """
11329  return _IMP_atom.CHARMMAtom___ge__(self, *args)
11330 
11331 
11332  def __gt__(self, *args):
11333  """
11334  __gt__(CHARMMAtom self, CHARMMAtom o) -> bool
11335  __gt__(CHARMMAtom self, Particle d) -> bool
11336  """
11337  return _IMP_atom.CHARMMAtom___gt__(self, *args)
11338 
11339 
11340  def __hash__(self):
11341  """__hash__(CHARMMAtom self) -> std::size_t"""
11342  return _IMP_atom.CHARMMAtom___hash__(self)
11343 
11344 
11345  def __str__(self):
11346  """__str__(CHARMMAtom self) -> std::string"""
11347  return _IMP_atom.CHARMMAtom___str__(self)
11348 
11349 
11350  def __repr__(self):
11351  """__repr__(CHARMMAtom self) -> std::string"""
11352  return _IMP_atom.CHARMMAtom___repr__(self)
11353 
11354  __swig_destroy__ = _IMP_atom.delete_CHARMMAtom
11355  __del__ = lambda self: None
11356 CHARMMAtom_swigregister = _IMP_atom.CHARMMAtom_swigregister
11357 CHARMMAtom_swigregister(CHARMMAtom)
11358 
11359 def CHARMMAtom_setup_particle(*args):
11360  """
11361  setup_particle(Model m, ParticleIndex pi, IMP::String charmm_type) -> CHARMMAtom
11362  CHARMMAtom_setup_particle(_ParticleAdaptor decorator, IMP::String charmm_type) -> CHARMMAtom
11363  """
11364  return _IMP_atom.CHARMMAtom_setup_particle(*args)
11365 
11366 def CHARMMAtom_get_is_setup(*args):
11367  """
11368  get_is_setup(_ParticleAdaptor p) -> bool
11369  CHARMMAtom_get_is_setup(Model m, ParticleIndex pi) -> bool
11370  """
11371  return _IMP_atom.CHARMMAtom_get_is_setup(*args)
11372 
11373 def CHARMMAtom_get_charmm_type_key():
11374  """CHARMMAtom_get_charmm_type_key() -> StringKey"""
11375  return _IMP_atom.CHARMMAtom_get_charmm_type_key()
11376 
11377 
11378 def get_charmm_untyped_atoms(hierarchy):
11379  """get_charmm_untyped_atoms(Hierarchy hierarchy) -> IMP::atom::Atoms"""
11380  return _IMP_atom.get_charmm_untyped_atoms(hierarchy)
11381 
11382 def remove_charmm_untyped_atoms(hierarchy):
11383  """remove_charmm_untyped_atoms(Hierarchy hierarchy)"""
11384  return _IMP_atom.remove_charmm_untyped_atoms(hierarchy)
11385 class CHARMMBondParameters(object):
11386  """Proxy of C++ IMP::atom::CHARMMBondParameters class."""
11387 
11388  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11389  force_constant = _swig_property(_IMP_atom.CHARMMBondParameters_force_constant_get, _IMP_atom.CHARMMBondParameters_force_constant_set)
11390  ideal = _swig_property(_IMP_atom.CHARMMBondParameters_ideal_get, _IMP_atom.CHARMMBondParameters_ideal_set)
11391 
11392  def __init__(self):
11393  """__init__(IMP::atom::CHARMMBondParameters self) -> CHARMMBondParameters"""
11394  this = _IMP_atom.new_CHARMMBondParameters()
11395  try:
11396  self.this.append(this)
11397  except __builtin__.Exception:
11398  self.this = this
11399 
11400  def show(self, *args):
11401  """
11402  show(CHARMMBondParameters self, _ostream out)
11403  show(CHARMMBondParameters self)
11404  """
11405  return _IMP_atom.CHARMMBondParameters_show(self, *args)
11406 
11407 
11408  def __str__(self):
11409  """__str__(CHARMMBondParameters self) -> std::string"""
11410  return _IMP_atom.CHARMMBondParameters___str__(self)
11411 
11412 
11413  def __repr__(self):
11414  """__repr__(CHARMMBondParameters self) -> std::string"""
11415  return _IMP_atom.CHARMMBondParameters___repr__(self)
11416 
11417  __swig_destroy__ = _IMP_atom.delete_CHARMMBondParameters
11418  __del__ = lambda self: None
11419 CHARMMBondParameters_swigregister = _IMP_atom.CHARMMBondParameters_swigregister
11420 CHARMMBondParameters_swigregister(CHARMMBondParameters)
11421 
11422 class CHARMMDihedralParameters(object):
11423  """Proxy of C++ IMP::atom::CHARMMDihedralParameters class."""
11424 
11425  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11426  force_constant = _swig_property(_IMP_atom.CHARMMDihedralParameters_force_constant_get, _IMP_atom.CHARMMDihedralParameters_force_constant_set)
11427  multiplicity = _swig_property(_IMP_atom.CHARMMDihedralParameters_multiplicity_get, _IMP_atom.CHARMMDihedralParameters_multiplicity_set)
11428  ideal = _swig_property(_IMP_atom.CHARMMDihedralParameters_ideal_get, _IMP_atom.CHARMMDihedralParameters_ideal_set)
11429 
11430  def __init__(self):
11431  """__init__(IMP::atom::CHARMMDihedralParameters self) -> CHARMMDihedralParameters"""
11432  this = _IMP_atom.new_CHARMMDihedralParameters()
11433  try:
11434  self.this.append(this)
11435  except __builtin__.Exception:
11436  self.this = this
11437 
11438  def show(self, *args):
11439  """
11440  show(CHARMMDihedralParameters self, _ostream out)
11441  show(CHARMMDihedralParameters self)
11442  """
11443  return _IMP_atom.CHARMMDihedralParameters_show(self, *args)
11444 
11445 
11446  def __str__(self):
11447  """__str__(CHARMMDihedralParameters self) -> std::string"""
11448  return _IMP_atom.CHARMMDihedralParameters___str__(self)
11449 
11450 
11451  def __repr__(self):
11452  """__repr__(CHARMMDihedralParameters self) -> std::string"""
11453  return _IMP_atom.CHARMMDihedralParameters___repr__(self)
11454 
11455  __swig_destroy__ = _IMP_atom.delete_CHARMMDihedralParameters
11456  __del__ = lambda self: None
11457 CHARMMDihedralParameters_swigregister = _IMP_atom.CHARMMDihedralParameters_swigregister
11458 CHARMMDihedralParameters_swigregister(CHARMMDihedralParameters)
11459 
11460 class CHARMMParameters(ForceFieldParameters):
11461  """Proxy of C++ IMP::atom::CHARMMParameters class."""
11462 
11463  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11464 
11465  def __init__(self, *args):
11466  """
11467  __init__(IMP::atom::CHARMMParameters self, TextInput topology_file_name, TextInput par_file_name, bool translate_names_to_pdb=False) -> CHARMMParameters
11468  __init__(IMP::atom::CHARMMParameters self, TextInput topology_file_name, TextInput par_file_name) -> CHARMMParameters
11469  __init__(IMP::atom::CHARMMParameters self, TextInput topology_file_name) -> CHARMMParameters
11470  """
11471  this = _IMP_atom.new_CHARMMParameters(*args)
11472  try:
11473  self.this.append(this)
11474  except __builtin__.Exception:
11475  self.this = this
11476 
11477  def add_residue_topology(self, res):
11478  """add_residue_topology(CHARMMParameters self, CHARMMIdealResidueTopology res)"""
11479  return _IMP_atom.CHARMMParameters_add_residue_topology(self, res)
11480 
11481 
11482  def get_residue_topology(self, type):
11483  """get_residue_topology(CHARMMParameters self, ResidueType type) -> CHARMMIdealResidueTopology"""
11484  return _IMP_atom.CHARMMParameters_get_residue_topology(self, type)
11485 
11486 
11487  def add_patch(self, patch):
11488  """add_patch(CHARMMParameters self, CHARMMPatch patch)"""
11489  return _IMP_atom.CHARMMParameters_add_patch(self, patch)
11490 
11491 
11492  def get_patch(self, name):
11493  """get_patch(CHARMMParameters self, std::string name) -> CHARMMPatch"""
11494  return _IMP_atom.CHARMMParameters_get_patch(self, name)
11495 
11496 
11497  def create_topology(self, hierarchy):
11498  """create_topology(CHARMMParameters self, Hierarchy hierarchy) -> CHARMMTopology"""
11499  return _IMP_atom.CHARMMParameters_create_topology(self, hierarchy)
11500 
11501 
11502  def get_bond_parameters(self, type1, type2):
11503  """get_bond_parameters(CHARMMParameters self, std::string type1, std::string type2) -> CHARMMBondParameters"""
11504  return _IMP_atom.CHARMMParameters_get_bond_parameters(self, type1, type2)
11505 
11506 
11507  def get_angle_parameters(self, type1, type2, type3):
11508  """get_angle_parameters(CHARMMParameters self, std::string type1, std::string type2, std::string type3) -> CHARMMBondParameters"""
11509  return _IMP_atom.CHARMMParameters_get_angle_parameters(self, type1, type2, type3)
11510 
11511 
11512  def get_dihedral_parameters(self, type1, type2, type3, type4):
11513  """get_dihedral_parameters(CHARMMParameters self, std::string type1, std::string type2, std::string type3, std::string type4) -> IMP::atom::CHARMMDihedralParametersList"""
11514  return _IMP_atom.CHARMMParameters_get_dihedral_parameters(self, type1, type2, type3, type4)
11515 
11516 
11517  def get_improper_parameters(self, type1, type2, type3, type4):
11518  """get_improper_parameters(CHARMMParameters self, std::string type1, std::string type2, std::string type3, std::string type4) -> CHARMMDihedralParameters"""
11519  return _IMP_atom.CHARMMParameters_get_improper_parameters(self, type1, type2, type3, type4)
11520 
11521 
11522  def create_angles(self, bonds):
11523  """create_angles(CHARMMParameters self, IMP::Particles bonds) -> IMP::Particles"""
11524  return _IMP_atom.CHARMMParameters_create_angles(self, bonds)
11525 
11526 
11527  def create_dihedrals(self, bonds):
11528  """create_dihedrals(CHARMMParameters self, IMP::Particles bonds) -> IMP::Particles"""
11529  return _IMP_atom.CHARMMParameters_create_dihedrals(self, bonds)
11530 
11531 
11532  def get_version_info(self):
11533  """get_version_info(CHARMMParameters self) -> VersionInfo"""
11534  return _IMP_atom.CHARMMParameters_get_version_info(self)
11535 
11536 
11537  def __str__(self):
11538  """__str__(CHARMMParameters self) -> std::string"""
11539  return _IMP_atom.CHARMMParameters___str__(self)
11540 
11541 
11542  def __repr__(self):
11543  """__repr__(CHARMMParameters self) -> std::string"""
11544  return _IMP_atom.CHARMMParameters___repr__(self)
11545 
11546 
11547  @staticmethod
11548  def get_from(o):
11549  return _object_cast_to_CHARMMParameters(o)
11550 
11551 CHARMMParameters_swigregister = _IMP_atom.CHARMMParameters_swigregister
11552 CHARMMParameters_swigregister(CHARMMParameters)
11553 
11554 
11556  """get_heavy_atom_CHARMM_parameters() -> CHARMMParameters"""
11557  return _IMP_atom.get_heavy_atom_CHARMM_parameters()
11558 
11560  """get_all_atom_CHARMM_parameters() -> CHARMMParameters"""
11561  return _IMP_atom.get_all_atom_CHARMM_parameters()
11562 class CHARMMSegmentTopology(IMP.Object):
11563  """Proxy of C++ IMP::atom::CHARMMSegmentTopology class."""
11564 
11565  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11566 
11567  def remove_residue(self, d):
11568  """remove_residue(CHARMMSegmentTopology self, CHARMMResidueTopology d)"""
11569  return _IMP_atom.CHARMMSegmentTopology_remove_residue(self, d)
11570 
11571 
11572  def remove_residues(self, d):
11573  """remove_residues(CHARMMSegmentTopology self, IMP::atom::CHARMMResidueTopologies const & d)"""
11574  return _IMP_atom.CHARMMSegmentTopology_remove_residues(self, d)
11575 
11576 
11577  def set_residues(self, ps):
11578  """set_residues(CHARMMSegmentTopology self, IMP::atom::CHARMMResidueTopologies const & ps)"""
11579  return _IMP_atom.CHARMMSegmentTopology_set_residues(self, ps)
11580 
11581 
11582  def set_residues_order(self, objs):
11583  """set_residues_order(CHARMMSegmentTopology self, IMP::atom::CHARMMResidueTopologies const & objs)"""
11584  return _IMP_atom.CHARMMSegmentTopology_set_residues_order(self, objs)
11585 
11586 
11587  def add_residue(self, obj):
11588  """add_residue(CHARMMSegmentTopology self, CHARMMResidueTopology obj) -> unsigned int"""
11589  return _IMP_atom.CHARMMSegmentTopology_add_residue(self, obj)
11590 
11591 
11592  def add_residues(self, objs):
11593  """add_residues(CHARMMSegmentTopology self, IMP::atom::CHARMMResidueTopologies const & objs)"""
11594  return _IMP_atom.CHARMMSegmentTopology_add_residues(self, objs)
11595 
11596 
11597  def clear_residues(self):
11598  """clear_residues(CHARMMSegmentTopology self)"""
11599  return _IMP_atom.CHARMMSegmentTopology_clear_residues(self)
11600 
11601 
11602  def get_number_of_residues(self):
11603  """get_number_of_residues(CHARMMSegmentTopology self) -> unsigned int"""
11604  return _IMP_atom.CHARMMSegmentTopology_get_number_of_residues(self)
11605 
11606 
11607  def get_has_residues(self):
11608  """get_has_residues(CHARMMSegmentTopology self) -> bool"""
11609  return _IMP_atom.CHARMMSegmentTopology_get_has_residues(self)
11610 
11611 
11612  def get_residue(self, i):
11613  """get_residue(CHARMMSegmentTopology self, unsigned int i) -> CHARMMResidueTopology"""
11614  return _IMP_atom.CHARMMSegmentTopology_get_residue(self, i)
11615 
11616 
11617  def get_residues(self):
11618  """get_residues(CHARMMSegmentTopology self) -> IMP::atom::CHARMMResidueTopologies"""
11619  return _IMP_atom.CHARMMSegmentTopology_get_residues(self)
11620 
11621 
11622  def reserve_residues(self, sz):
11623  """reserve_residues(CHARMMSegmentTopology self, unsigned int sz)"""
11624  return _IMP_atom.CHARMMSegmentTopology_reserve_residues(self, sz)
11625 
11626 
11627  def get_version_info(self):
11628  """get_version_info(CHARMMSegmentTopology self) -> VersionInfo"""
11629  return _IMP_atom.CHARMMSegmentTopology_get_version_info(self)
11630 
11631 
11632  def __init__(self, *args):
11633  """
11634  __init__(IMP::atom::CHARMMSegmentTopology self, std::string name) -> CHARMMSegmentTopology
11635  __init__(IMP::atom::CHARMMSegmentTopology self) -> CHARMMSegmentTopology
11636  """
11637  this = _IMP_atom.new_CHARMMSegmentTopology(*args)
11638  try:
11639  self.this.append(this)
11640  except __builtin__.Exception:
11641  self.this = this
11642 
11643  def apply_default_patches(self, ff):
11644  """apply_default_patches(CHARMMSegmentTopology self, CHARMMParameters ff)"""
11645  return _IMP_atom.CHARMMSegmentTopology_apply_default_patches(self, ff)
11646 
11647 
11648  def __str__(self):
11649  """__str__(CHARMMSegmentTopology self) -> std::string"""
11650  return _IMP_atom.CHARMMSegmentTopology___str__(self)
11651 
11652 
11653  def __repr__(self):
11654  """__repr__(CHARMMSegmentTopology self) -> std::string"""
11655  return _IMP_atom.CHARMMSegmentTopology___repr__(self)
11656 
11657 
11658  @staticmethod
11659  def get_from(o):
11660  return _object_cast_to_CHARMMSegmentTopology(o)
11661 
11662 CHARMMSegmentTopology_swigregister = _IMP_atom.CHARMMSegmentTopology_swigregister
11663 CHARMMSegmentTopology_swigregister(CHARMMSegmentTopology)
11664 
11665 class CHARMMTopology(IMP.Object):
11666  """Proxy of C++ IMP::atom::CHARMMTopology class."""
11667 
11668  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11669 
11670  def __init__(self, *args):
11671  """
11672  __init__(IMP::atom::CHARMMTopology self, CHARMMParameters force_field, std::string name) -> CHARMMTopology
11673  __init__(IMP::atom::CHARMMTopology self, CHARMMParameters force_field) -> CHARMMTopology
11674  """
11675  this = _IMP_atom.new_CHARMMTopology(*args)
11676  try:
11677  self.this.append(this)
11678  except __builtin__.Exception:
11679  self.this = this
11680 
11681  def get_parameters(self):
11682  """get_parameters(CHARMMTopology self) -> CHARMMParameters"""
11683  return _IMP_atom.CHARMMTopology_get_parameters(self)
11684 
11685 
11686  def add_sequence(self, sequence):
11687  """add_sequence(CHARMMTopology self, std::string sequence)"""
11688  return _IMP_atom.CHARMMTopology_add_sequence(self, sequence)
11689 
11690 
11691  def apply_default_patches(self):
11692  """apply_default_patches(CHARMMTopology self)"""
11693  return _IMP_atom.CHARMMTopology_apply_default_patches(self)
11694 
11695 
11696  def create_hierarchy(self, model):
11697  """create_hierarchy(CHARMMTopology self, Model model) -> Hierarchy"""
11698  return _IMP_atom.CHARMMTopology_create_hierarchy(self, model)
11699 
11700 
11701  def add_atom_types(self, hierarchy):
11702  """add_atom_types(CHARMMTopology self, Hierarchy hierarchy)"""
11703  return _IMP_atom.CHARMMTopology_add_atom_types(self, hierarchy)
11704 
11705 
11706  def add_coordinates(self, hierarchy):
11707  """add_coordinates(CHARMMTopology self, Hierarchy hierarchy)"""
11708  return _IMP_atom.CHARMMTopology_add_coordinates(self, hierarchy)
11709 
11710 
11711  def add_missing_atoms(self, hierarchy):
11712  """add_missing_atoms(CHARMMTopology self, Hierarchy hierarchy)"""
11713  return _IMP_atom.CHARMMTopology_add_missing_atoms(self, hierarchy)
11714 
11715 
11716  def setup_hierarchy(self, hierarchy):
11717  """setup_hierarchy(CHARMMTopology self, Hierarchy hierarchy)"""
11718  return _IMP_atom.CHARMMTopology_setup_hierarchy(self, hierarchy)
11719 
11720 
11721  def add_charges(self, hierarchy):
11722  """add_charges(CHARMMTopology self, Hierarchy hierarchy)"""
11723  return _IMP_atom.CHARMMTopology_add_charges(self, hierarchy)
11724 
11725 
11726  def add_bonds(self, hierarchy):
11727  """add_bonds(CHARMMTopology self, Hierarchy hierarchy) -> IMP::Particles"""
11728  return _IMP_atom.CHARMMTopology_add_bonds(self, hierarchy)
11729 
11730 
11731  def add_dihedrals(self, hierarchy):
11732  """add_dihedrals(CHARMMTopology self, Hierarchy hierarchy) -> IMP::Particles"""
11733  return _IMP_atom.CHARMMTopology_add_dihedrals(self, hierarchy)
11734 
11735 
11736  def add_impropers(self, hierarchy):
11737  """add_impropers(CHARMMTopology self, Hierarchy hierarchy) -> IMP::Particles"""
11738  return _IMP_atom.CHARMMTopology_add_impropers(self, hierarchy)
11739 
11740 
11741  def remove_segment(self, d):
11742  """remove_segment(CHARMMTopology self, CHARMMSegmentTopology d)"""
11743  return _IMP_atom.CHARMMTopology_remove_segment(self, d)
11744 
11745 
11746  def remove_segments(self, d):
11747  """remove_segments(CHARMMTopology self, IMP::atom::CHARMMSegmentTopologies const & d)"""
11748  return _IMP_atom.CHARMMTopology_remove_segments(self, d)
11749 
11750 
11751  def set_segments(self, ps):
11752  """set_segments(CHARMMTopology self, IMP::atom::CHARMMSegmentTopologies const & ps)"""
11753  return _IMP_atom.CHARMMTopology_set_segments(self, ps)
11754 
11755 
11756  def set_segments_order(self, objs):
11757  """set_segments_order(CHARMMTopology self, IMP::atom::CHARMMSegmentTopologies const & objs)"""
11758  return _IMP_atom.CHARMMTopology_set_segments_order(self, objs)
11759 
11760 
11761  def add_segment(self, obj):
11762  """add_segment(CHARMMTopology self, CHARMMSegmentTopology obj) -> unsigned int"""
11763  return _IMP_atom.CHARMMTopology_add_segment(self, obj)
11764 
11765 
11766  def add_segments(self, objs):
11767  """add_segments(CHARMMTopology self, IMP::atom::CHARMMSegmentTopologies const & objs)"""
11768  return _IMP_atom.CHARMMTopology_add_segments(self, objs)
11769 
11770 
11771  def clear_segments(self):
11772  """clear_segments(CHARMMTopology self)"""
11773  return _IMP_atom.CHARMMTopology_clear_segments(self)
11774 
11775 
11776  def get_number_of_segments(self):
11777  """get_number_of_segments(CHARMMTopology self) -> unsigned int"""
11778  return _IMP_atom.CHARMMTopology_get_number_of_segments(self)
11779 
11780 
11781  def get_has_segments(self):
11782  """get_has_segments(CHARMMTopology self) -> bool"""
11783  return _IMP_atom.CHARMMTopology_get_has_segments(self)
11784 
11785 
11786  def get_segment(self, i):
11787  """get_segment(CHARMMTopology self, unsigned int i) -> CHARMMSegmentTopology"""
11788  return _IMP_atom.CHARMMTopology_get_segment(self, i)
11789 
11790 
11791  def get_segments(self):
11792  """get_segments(CHARMMTopology self) -> IMP::atom::CHARMMSegmentTopologies"""
11793  return _IMP_atom.CHARMMTopology_get_segments(self)
11794 
11795 
11796  def reserve_segments(self, sz):
11797  """reserve_segments(CHARMMTopology self, unsigned int sz)"""
11798  return _IMP_atom.CHARMMTopology_reserve_segments(self, sz)
11799 
11800 
11801  def get_version_info(self):
11802  """get_version_info(CHARMMTopology self) -> VersionInfo"""
11803  return _IMP_atom.CHARMMTopology_get_version_info(self)
11804 
11805 
11806  def __str__(self):
11807  """__str__(CHARMMTopology self) -> std::string"""
11808  return _IMP_atom.CHARMMTopology___str__(self)
11809 
11810 
11811  def __repr__(self):
11812  """__repr__(CHARMMTopology self) -> std::string"""
11813  return _IMP_atom.CHARMMTopology___repr__(self)
11814 
11815 
11816  @staticmethod
11817  def get_from(o):
11818  return _object_cast_to_CHARMMTopology(o)
11819 
11820 CHARMMTopology_swigregister = _IMP_atom.CHARMMTopology_swigregister
11821 CHARMMTopology_swigregister(CHARMMTopology)
11822 
11823 class CHARMMStereochemistryRestraint(IMP.Restraint):
11824  """Proxy of C++ IMP::atom::CHARMMStereochemistryRestraint class."""
11825 
11826  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11827 
11828  def __init__(self, *args):
11829  """
11830  __init__(IMP::atom::CHARMMStereochemistryRestraint self, Hierarchy h, CHARMMTopology topology) -> CHARMMStereochemistryRestraint
11831  __init__(IMP::atom::CHARMMStereochemistryRestraint self, Hierarchy h, CHARMMTopology topology, IMP::ParticlesTemp limit_to_these_particles) -> CHARMMStereochemistryRestraint
11832  """
11833  this = _IMP_atom.new_CHARMMStereochemistryRestraint(*args)
11834  try:
11835  self.this.append(this)
11836  except __builtin__.Exception:
11837  self.this = this
11838 
11839  def get_pair_filter(self):
11840  """get_pair_filter(CHARMMStereochemistryRestraint self) -> StereochemistryPairFilter"""
11841  return _IMP_atom.CHARMMStereochemistryRestraint_get_pair_filter(self)
11842 
11843 
11844  def get_full_pair_filter(self):
11845  """get_full_pair_filter(CHARMMStereochemistryRestraint self) -> StereochemistryPairFilter"""
11846  return _IMP_atom.CHARMMStereochemistryRestraint_get_full_pair_filter(self)
11847 
11848 
11849  def do_get_inputs(self):
11850  """do_get_inputs(CHARMMStereochemistryRestraint self) -> IMP::ModelObjectsTemp"""
11851  return _IMP_atom.CHARMMStereochemistryRestraint_do_get_inputs(self)
11852 
11853 
11854  def get_version_info(self):
11855  """get_version_info(CHARMMStereochemistryRestraint self) -> VersionInfo"""
11856  return _IMP_atom.CHARMMStereochemistryRestraint_get_version_info(self)
11857 
11858 
11859  def __str__(self):
11860  """__str__(CHARMMStereochemistryRestraint self) -> std::string"""
11861  return _IMP_atom.CHARMMStereochemistryRestraint___str__(self)
11862 
11863 
11864  def __repr__(self):
11865  """__repr__(CHARMMStereochemistryRestraint self) -> std::string"""
11866  return _IMP_atom.CHARMMStereochemistryRestraint___repr__(self)
11867 
11868 
11869  @staticmethod
11870  def get_from(o):
11871  return _object_cast_to_CHARMMStereochemistryRestraint(o)
11872 
11873 CHARMMStereochemistryRestraint_swigregister = _IMP_atom.CHARMMStereochemistryRestraint_swigregister
11874 CHARMMStereochemistryRestraint_swigregister(CHARMMStereochemistryRestraint)
11875 
11876 
11877 def add_bonds(*args):
11878  """
11879  add_bonds(Hierarchy d, ForceFieldParameters ffp)
11880  add_bonds(Hierarchy d)
11881  """
11882  return _IMP_atom.add_bonds(*args)
11883 
11884 def add_radii(*args):
11885  """
11886  add_radii(Hierarchy d, ForceFieldParameters ffp, FloatKey radius_key)
11887  add_radii(Hierarchy d, ForceFieldParameters ffp)
11888  add_radii(Hierarchy d)
11889  """
11890  return _IMP_atom.add_radii(*args)
11891 ALBER = _IMP_atom.ALBER
11892 HARPAZ = _IMP_atom.HARPAZ
11893 ANDERSSON = _IMP_atom.ANDERSSON
11894 TSAI = _IMP_atom.TSAI
11895 QUILLIN = _IMP_atom.QUILLIN
11896 SQUIRE = _IMP_atom.SQUIRE
11897 
11898 def get_protein_density_from_reference(densityReference):
11899  """get_protein_density_from_reference(IMP::atom::ProteinDensityReference densityReference) -> double"""
11900  return _IMP_atom.get_protein_density_from_reference(densityReference)
11901 
11902 def get_volume_from_mass(*args):
11903  """
11904  get_volume_from_mass(double m, IMP::atom::ProteinDensityReference ref) -> double
11905  get_volume_from_mass(double m) -> double
11906  """
11907  return _IMP_atom.get_volume_from_mass(*args)
11908 
11909 def get_mass_from_volume(*args):
11910  """
11911  get_mass_from_volume(double v, IMP::atom::ProteinDensityReference ref) -> double
11912  get_mass_from_volume(double v) -> double
11913  """
11914  return _IMP_atom.get_mass_from_volume(*args)
11915 
11917  """get_mass_from_number_of_residues(unsigned int num_aa) -> double"""
11918  return _IMP_atom.get_mass_from_number_of_residues(num_aa)
11919 
11921  """get_volume_from_residue_type(ResidueType rt) -> double"""
11922  return _IMP_atom.get_volume_from_residue_type(rt)
11923 
11924 def get_molarity(n, volume):
11925  """get_molarity(double n, double volume) -> double"""
11926  return _IMP_atom.get_molarity(n, volume)
11927 
11928 def get_kd(na, nb, nab, volume):
11929  """get_kd(double na, double nb, double nab, double volume) -> double"""
11930  return _IMP_atom.get_kd(na, nb, nab, volume)
11931 
11932 def get_einstein_diffusion_coefficient(r, temp=-1):
11933  """
11934  get_einstein_diffusion_coefficient(double r, double temp=-1) -> double
11935  get_einstein_diffusion_coefficient(double r) -> double
11936  """
11937  return _IMP_atom.get_einstein_diffusion_coefficient(r, temp)
11938 
11940  """
11941  get_einstein_rotational_diffusion_coefficient(double r, double temp=-1) -> double
11942  get_einstein_rotational_diffusion_coefficient(double r) -> double
11943  """
11944  return _IMP_atom.get_einstein_rotational_diffusion_coefficient(r, temp)
11945 
11946 def get_diffusion_length(*args):
11947  """
11948  get_diffusion_length(double D, double t) -> double
11949  get_diffusion_length(double D, double force, double t, double temp=-1) -> double
11950  get_diffusion_length(double D, double force, double t) -> double
11951  """
11952  return _IMP_atom.get_diffusion_length(*args)
11953 
11954 def get_diffusion_angle(D, dtfs):
11955  """get_diffusion_angle(double D, double dtfs) -> double"""
11956  return _IMP_atom.get_diffusion_angle(D, dtfs)
11957 
11958 def get_diffusion_coefficient(*args):
11959  """
11960  get_diffusion_coefficient(IMP::algebra::Vector3Ds const & displacements, double dt) -> double
11961  get_diffusion_coefficient(IMP::algebra::Vector3Ds const & displacements, IMP::Floats const & dts) -> double
11962  """
11963  return _IMP_atom.get_diffusion_coefficient(*args)
11964 
11965 def get_rotational_diffusion_coefficient(orientations, dt):
11966  """get_rotational_diffusion_coefficient(IMP::algebra::Rotation3Ds const & orientations, double dt) -> double"""
11967  return _IMP_atom.get_rotational_diffusion_coefficient(orientations, dt)
11968 
11969 def get_energy_in_femto_joules(energy_in_kcal_per_mol):
11970  """get_energy_in_femto_joules(double energy_in_kcal_per_mol) -> double"""
11971  return _IMP_atom.get_energy_in_femto_joules(energy_in_kcal_per_mol)
11972 
11973 def get_force_in_femto_newtons(force_in_kcal_per_mol_per_angstrom):
11974  """get_force_in_femto_newtons(double force_in_kcal_per_mol_per_angstrom) -> double"""
11975  return _IMP_atom.get_force_in_femto_newtons(force_in_kcal_per_mol_per_angstrom)
11976 
11977 def get_spring_constant_in_femto_newtons_per_angstrom(k_in_kcal_per_mol_per_angstrom_square):
11978  """get_spring_constant_in_femto_newtons_per_angstrom(double k_in_kcal_per_mol_per_angstrom_square) -> double"""
11979  return _IMP_atom.get_spring_constant_in_femto_newtons_per_angstrom(k_in_kcal_per_mol_per_angstrom_square)
11980 class EzRestraint(IMP.Restraint):
11981  """Proxy of C++ IMP::atom::EzRestraint class."""
11982 
11983  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11984 
11985  def __init__(self, m, ps):
11986  """__init__(IMP::atom::EzRestraint self, Model m, _ParticleIndexesAdaptor ps) -> EzRestraint"""
11987  this = _IMP_atom.new_EzRestraint(m, ps)
11988  try:
11989  self.this.append(this)
11990  except __builtin__.Exception:
11991  self.this = this
11992 
11993  def get_version_info(self):
11994  """get_version_info(EzRestraint self) -> VersionInfo"""
11995  return _IMP_atom.EzRestraint_get_version_info(self)
11996 
11997 
11998  def __str__(self):
11999  """__str__(EzRestraint self) -> std::string"""
12000  return _IMP_atom.EzRestraint___str__(self)
12001 
12002 
12003  def __repr__(self):
12004  """__repr__(EzRestraint self) -> std::string"""
12005  return _IMP_atom.EzRestraint___repr__(self)
12006 
12007 
12008  @staticmethod
12009  def get_from(o):
12010  return _object_cast_to_EzRestraint(o)
12011 
12012 EzRestraint_swigregister = _IMP_atom.EzRestraint_swigregister
12013 EzRestraint_swigregister(EzRestraint)
12014 
12015 
12016 def create_protein(*args):
12017  """
12018  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
12019  create_protein(Model m, std::string name, double target_radius, int number_of_residues, int first_residue_index=0, double volume=-1) -> Hierarchy
12020  create_protein(Model m, std::string name, double target_radius, int number_of_residues, int first_residue_index=0) -> Hierarchy
12021  create_protein(Model m, std::string name, double target_radius, int number_of_residues) -> Hierarchy
12022  create_protein(Model m, std::string name, double target_radius, IMP::Ints const domain_boundaries) -> Hierarchy
12023  """
12024  return _IMP_atom.create_protein(*args)
12025 
12027  """
12028  create_simplified_along_backbone(Hierarchy input, int num_res, bool keep_detailed=False) -> Hierarchy
12029  create_simplified_along_backbone(Hierarchy input, int num_res) -> Hierarchy
12030  create_simplified_along_backbone(Chain input, IMP::IntRanges const & residue_segments, bool keep_detailed=False) -> Hierarchy
12031  create_simplified_along_backbone(Chain input, IMP::IntRanges const & residue_segments) -> Hierarchy
12032  """
12033  return _IMP_atom.create_simplified_along_backbone(*args)
12034 
12035 def create_simplified_from_volume(h, resolution):
12036  """create_simplified_from_volume(Hierarchy h, double resolution) -> Hierarchy"""
12037  return _IMP_atom.create_simplified_from_volume(h, resolution)
12038 
12039 def create_simplified_assembly_from_volume(h, resolution):
12040  """create_simplified_assembly_from_volume(Hierarchy h, double resolution) -> Hierarchy"""
12041  return _IMP_atom.create_simplified_assembly_from_volume(h, resolution)
12042 
12043 def get_residue_indexes(h):
12044  """get_residue_indexes(Hierarchy h) -> IMP::Ints"""
12045  return _IMP_atom.get_residue_indexes(h)
12046 
12047 def get_residue_type(*args):
12048  """
12049  get_residue_type(char c) -> ResidueType
12050  get_residue_type(Hierarchy h) -> ResidueType
12051  """
12052  return _IMP_atom.get_residue_type(*args)
12053 
12054 def get_atom_type(h):
12055  """get_atom_type(Hierarchy h) -> AtomType"""
12056  return _IMP_atom.get_atom_type(h)
12057 
12058 def get_domain_name(h):
12059  """get_domain_name(Hierarchy h) -> std::string"""
12060  return _IMP_atom.get_domain_name(h)
12061 
12063  """
12064  create_excluded_volume_restraint(IMP::atom::Selections const & s) -> Restraint
12065  create_excluded_volume_restraint(IMP::atom::Hierarchies const & hs, double resolution=-1) -> Restraint
12066  create_excluded_volume_restraint(IMP::atom::Hierarchies const & hs) -> Restraint
12067  """
12068  return _IMP_atom.create_excluded_volume_restraint(*args)
12069 
12070 def setup_as_approximation(*args):
12071  """
12072  setup_as_approximation(Particle h, IMP::ParticlesTemp const & other, double resolution=-1)
12073  setup_as_approximation(Particle h, IMP::ParticlesTemp const & other)
12074  setup_as_approximation(Hierarchy h, double resolution=-1)
12075  setup_as_approximation(Hierarchy h)
12076  """
12077  return _IMP_atom.setup_as_approximation(*args)
12078 class _HierarchyTreeVertexIndex(object):
12079  """Proxy of C++ IMP::atom::HierarchyTreeVertexIndex class."""
12080 
12081  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12082  __repr__ = _swig_repr
12083 
12084  def __init__(self):
12085  """__init__(IMP::atom::HierarchyTreeVertexIndex self) -> _HierarchyTreeVertexIndex"""
12086  this = _IMP_atom.new__HierarchyTreeVertexIndex()
12087  try:
12088  self.this.append(this)
12089  except __builtin__.Exception:
12090  self.this = this
12091  __swig_destroy__ = _IMP_atom.delete__HierarchyTreeVertexIndex
12092  __del__ = lambda self: None
12093 _HierarchyTreeVertexIndex_swigregister = _IMP_atom._HierarchyTreeVertexIndex_swigregister
12094 _HierarchyTreeVertexIndex_swigregister(_HierarchyTreeVertexIndex)
12095 
12096 
12097 def show_as_graphviz(name, out):
12098  """show_as_graphviz(IMP::atom::HierarchyTree const & name, TextOutput out)"""
12099  return _IMP_atom.show_as_graphviz(name, out)
12100 
12101 def get_vertex_index(g):
12102  """get_vertex_index(IMP::atom::HierarchyTree const & g) -> _HierarchyTreeVertexIndex"""
12103  return _IMP_atom.get_vertex_index(g)
12104 
12105 def get_hierarchy_tree(h):
12106  """get_hierarchy_tree(Hierarchy h) -> IMP::atom::HierarchyTree"""
12107  return _IMP_atom.get_hierarchy_tree(h)
12108 class HierarchyGeometry(IMP.display.SingletonGeometry):
12109  """Proxy of C++ IMP::atom::HierarchyGeometry class."""
12110 
12111  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12112 
12113  def __init__(self, d, resolution=0):
12114  """
12115  __init__(IMP::atom::HierarchyGeometry self, Hierarchy d, double resolution=0) -> HierarchyGeometry
12116  __init__(IMP::atom::HierarchyGeometry self, Hierarchy d) -> HierarchyGeometry
12117  """
12118  this = _IMP_atom.new_HierarchyGeometry(d, resolution)
12119  try:
12120  self.this.append(this)
12121  except __builtin__.Exception:
12122  self.this = this
12123 
12124  def get_version_info(self):
12125  """get_version_info(HierarchyGeometry self) -> VersionInfo"""
12126  return _IMP_atom.HierarchyGeometry_get_version_info(self)
12127 
12128 
12129  def __str__(self):
12130  """__str__(HierarchyGeometry self) -> std::string"""
12131  return _IMP_atom.HierarchyGeometry___str__(self)
12132 
12133 
12134  def __repr__(self):
12135  """__repr__(HierarchyGeometry self) -> std::string"""
12136  return _IMP_atom.HierarchyGeometry___repr__(self)
12137 
12138 
12139  @staticmethod
12140  def get_from(o):
12141  return _object_cast_to_HierarchyGeometry(o)
12142 
12143 HierarchyGeometry_swigregister = _IMP_atom.HierarchyGeometry_swigregister
12144 HierarchyGeometry_swigregister(HierarchyGeometry)
12145 
12146 class HierarchiesGeometry(IMP.display.SingletonsGeometry):
12147  """Proxy of C++ IMP::atom::HierarchiesGeometry class."""
12148 
12149  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12150 
12151  def __init__(self, sc, resolution=-1):
12152  """
12153  __init__(IMP::atom::HierarchiesGeometry self, SingletonContainer sc, double resolution=-1) -> HierarchiesGeometry
12154  __init__(IMP::atom::HierarchiesGeometry self, SingletonContainer sc) -> HierarchiesGeometry
12155  """
12156  this = _IMP_atom.new_HierarchiesGeometry(sc, resolution)
12157  try:
12158  self.this.append(this)
12159  except __builtin__.Exception:
12160  self.this = this
12161 
12162  def get_version_info(self):
12163  """get_version_info(HierarchiesGeometry self) -> VersionInfo"""
12164  return _IMP_atom.HierarchiesGeometry_get_version_info(self)
12165 
12166 
12167  def __str__(self):
12168  """__str__(HierarchiesGeometry self) -> std::string"""
12169  return _IMP_atom.HierarchiesGeometry___str__(self)
12170 
12171 
12172  def __repr__(self):
12173  """__repr__(HierarchiesGeometry self) -> std::string"""
12174  return _IMP_atom.HierarchiesGeometry___repr__(self)
12175 
12176 
12177  @staticmethod
12178  def get_from(o):
12179  return _object_cast_to_HierarchiesGeometry(o)
12180 
12181 HierarchiesGeometry_swigregister = _IMP_atom.HierarchiesGeometry_swigregister
12182 HierarchiesGeometry_swigregister(HierarchiesGeometry)
12183 
12184 
12185 def transform(*args):
12186  """
12187  transform(Hierarchy h, Transformation3D tr)
12188  transform(Hierarchy h, Transformation3D tr)
12189  """
12190  return _IMP_atom.transform(*args)
12191 class DopePairScore(_ADopeBase):
12192  """Proxy of C++ IMP::atom::DopePairScore class."""
12193 
12194  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12195 
12196  def __init__(self, *args):
12197  """
12198  __init__(IMP::atom::DopePairScore self, double threshold) -> DopePairScore
12199  __init__(IMP::atom::DopePairScore self) -> DopePairScore
12200  __init__(IMP::atom::DopePairScore self, double threshold, TextInput data_file) -> DopePairScore
12201  """
12202  this = _IMP_atom.new_DopePairScore(*args)
12203  try:
12204  self.this.append(this)
12205  except __builtin__.Exception:
12206  self.this = this
12207 
12208  def __str__(self):
12209  """__str__(DopePairScore self) -> std::string"""
12210  return _IMP_atom.DopePairScore___str__(self)
12211 
12212 
12213  def __repr__(self):
12214  """__repr__(DopePairScore self) -> std::string"""
12215  return _IMP_atom.DopePairScore___repr__(self)
12216 
12217 
12218  @staticmethod
12219  def get_from(o):
12220  return _object_cast_to_DopePairScore(o)
12221 
12222  __swig_destroy__ = _IMP_atom.delete_DopePairScore
12223  __del__ = lambda self: None
12224 DopePairScore_swigregister = _IMP_atom.DopePairScore_swigregister
12225 DopePairScore_swigregister(DopePairScore)
12226 
12227 
12228 def add_dope_score_data(h):
12229  """add_dope_score_data(Hierarchy h)"""
12230  return _IMP_atom.add_dope_score_data(h)
12231 class OrientedSoapPairScore(_OrientedSoapBase):
12232  """Proxy of C++ IMP::atom::OrientedSoapPairScore class."""
12233 
12234  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12235 
12236  def __init__(self, library):
12237  """__init__(IMP::atom::OrientedSoapPairScore self, std::string library) -> OrientedSoapPairScore"""
12238  this = _IMP_atom.new_OrientedSoapPairScore(library)
12239  try:
12240  self.this.append(this)
12241  except __builtin__.Exception:
12242  self.this = this
12243 
12244  def get_pair_filter(self):
12245  """get_pair_filter(OrientedSoapPairScore self) -> SoapPairFilter"""
12246  return _IMP_atom.OrientedSoapPairScore_get_pair_filter(self)
12247 
12248 
12249  def __str__(self):
12250  """__str__(OrientedSoapPairScore self) -> std::string"""
12251  return _IMP_atom.OrientedSoapPairScore___str__(self)
12252 
12253 
12254  def __repr__(self):
12255  """__repr__(OrientedSoapPairScore self) -> std::string"""
12256  return _IMP_atom.OrientedSoapPairScore___repr__(self)
12257 
12258 
12259  @staticmethod
12260  def get_from(o):
12261  return _object_cast_to_OrientedSoapPairScore(o)
12262 
12263  __swig_destroy__ = _IMP_atom.delete_OrientedSoapPairScore
12264  __del__ = lambda self: None
12265 OrientedSoapPairScore_swigregister = _IMP_atom.OrientedSoapPairScore_swigregister
12266 OrientedSoapPairScore_swigregister(OrientedSoapPairScore)
12267 
12268 class SameResiduePairFilter(IMP.PairPredicate):
12269  """Proxy of C++ IMP::atom::SameResiduePairFilter class."""
12270 
12271  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12272 
12273  def __init__(self):
12274  """__init__(IMP::atom::SameResiduePairFilter self) -> SameResiduePairFilter"""
12275  this = _IMP_atom.new_SameResiduePairFilter()
12276  try:
12277  self.this.append(this)
12278  except __builtin__.Exception:
12279  self.this = this
12280 
12281  def do_get_inputs(self, m, pis):
12282  """do_get_inputs(SameResiduePairFilter self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
12283  return _IMP_atom.SameResiduePairFilter_do_get_inputs(self, m, pis)
12284 
12285 
12286  def get_value(self, *args):
12287  """
12288  get_value(SameResiduePairFilter self, IMP::ParticlePair const & a) -> int
12289  get_value(SameResiduePairFilter self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
12290  """
12291  return _IMP_atom.SameResiduePairFilter_get_value(self, *args)
12292 
12293 
12294  def get_value_index(self, *args):
12295  """
12296  get_value_index(SameResiduePairFilter self, Model m, IMP::ParticleIndexPair const & p) -> int
12297  get_value_index(SameResiduePairFilter self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
12298  """
12299  return _IMP_atom.SameResiduePairFilter_get_value_index(self, *args)
12300 
12301 
12302  def get_version_info(self):
12303  """get_version_info(SameResiduePairFilter self) -> VersionInfo"""
12304  return _IMP_atom.SameResiduePairFilter_get_version_info(self)
12305 
12306 
12307  def __str__(self):
12308  """__str__(SameResiduePairFilter self) -> std::string"""
12309  return _IMP_atom.SameResiduePairFilter___str__(self)
12310 
12311 
12312  def __repr__(self):
12313  """__repr__(SameResiduePairFilter self) -> std::string"""
12314  return _IMP_atom.SameResiduePairFilter___repr__(self)
12315 
12316 
12317  @staticmethod
12318  def get_from(o):
12319  return _object_cast_to_SameResiduePairFilter(o)
12320 
12321 SameResiduePairFilter_swigregister = _IMP_atom.SameResiduePairFilter_swigregister
12322 SameResiduePairFilter_swigregister(SameResiduePairFilter)
12323 
12324 class RemoveRigidMotionOptimizerState(IMP.OptimizerState):
12325  """Proxy of C++ IMP::atom::RemoveRigidMotionOptimizerState class."""
12326 
12327  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12328 
12329  def __init__(self, m, pis):
12330  """__init__(IMP::atom::RemoveRigidMotionOptimizerState self, Model m, _ParticleIndexesAdaptor pis) -> RemoveRigidMotionOptimizerState"""
12331  this = _IMP_atom.new_RemoveRigidMotionOptimizerState(m, pis)
12332  try:
12333  self.this.append(this)
12334  except __builtin__.Exception:
12335  self.this = this
12336 
12337  def set_particles(self, pis):
12338  """set_particles(RemoveRigidMotionOptimizerState self, IMP::Particles const & pis)"""
12339  return _IMP_atom.RemoveRigidMotionOptimizerState_set_particles(self, pis)
12340 
12341 
12342  def remove_rigid_motion(self):
12343  """remove_rigid_motion(RemoveRigidMotionOptimizerState self)"""
12344  return _IMP_atom.RemoveRigidMotionOptimizerState_remove_rigid_motion(self)
12345 
12346 
12347  def get_version_info(self):
12348  """get_version_info(RemoveRigidMotionOptimizerState self) -> VersionInfo"""
12349  return _IMP_atom.RemoveRigidMotionOptimizerState_get_version_info(self)
12350 
12351 
12352  def __str__(self):
12353  """__str__(RemoveRigidMotionOptimizerState self) -> std::string"""
12354  return _IMP_atom.RemoveRigidMotionOptimizerState___str__(self)
12355 
12356 
12357  def __repr__(self):
12358  """__repr__(RemoveRigidMotionOptimizerState self) -> std::string"""
12359  return _IMP_atom.RemoveRigidMotionOptimizerState___repr__(self)
12360 
12361 
12362  @staticmethod
12363  def get_from(o):
12364  return _object_cast_to_RemoveRigidMotionOptimizerState(o)
12365 
12366 RemoveRigidMotionOptimizerState_swigregister = _IMP_atom.RemoveRigidMotionOptimizerState_swigregister
12367 RemoveRigidMotionOptimizerState_swigregister(RemoveRigidMotionOptimizerState)
12368 
12369 class BerendsenThermostatOptimizerState(IMP.OptimizerState):
12370  """Proxy of C++ IMP::atom::BerendsenThermostatOptimizerState class."""
12371 
12372  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12373 
12374  def __init__(self, pis, temperature, tau):
12375  """__init__(IMP::atom::BerendsenThermostatOptimizerState self, IMP::Particles const & pis, double temperature, double tau) -> BerendsenThermostatOptimizerState"""
12376  this = _IMP_atom.new_BerendsenThermostatOptimizerState(pis, temperature, tau)
12377  try:
12378  self.this.append(this)
12379  except __builtin__.Exception:
12380  self.this = this
12381 
12382  def set_particles(self, pis):
12383  """set_particles(BerendsenThermostatOptimizerState self, IMP::Particles const & pis)"""
12384  return _IMP_atom.BerendsenThermostatOptimizerState_set_particles(self, pis)
12385 
12386 
12387  def get_temperature(self):
12388  """get_temperature(BerendsenThermostatOptimizerState self) -> double"""
12389  return _IMP_atom.BerendsenThermostatOptimizerState_get_temperature(self)
12390 
12391 
12392  def get_tau(self):
12393  """get_tau(BerendsenThermostatOptimizerState self) -> double"""
12394  return _IMP_atom.BerendsenThermostatOptimizerState_get_tau(self)
12395 
12396 
12397  def set_temperature(self, temperature):
12398  """set_temperature(BerendsenThermostatOptimizerState self, double temperature)"""
12399  return _IMP_atom.BerendsenThermostatOptimizerState_set_temperature(self, temperature)
12400 
12401 
12402  def set_tau(self, tau):
12403  """set_tau(BerendsenThermostatOptimizerState self, double tau)"""
12404  return _IMP_atom.BerendsenThermostatOptimizerState_set_tau(self, tau)
12405 
12406 
12407  def rescale_velocities(self):
12408  """rescale_velocities(BerendsenThermostatOptimizerState self)"""
12409  return _IMP_atom.BerendsenThermostatOptimizerState_rescale_velocities(self)
12410 
12411 
12412  def get_version_info(self):
12413  """get_version_info(BerendsenThermostatOptimizerState self) -> VersionInfo"""
12414  return _IMP_atom.BerendsenThermostatOptimizerState_get_version_info(self)
12415 
12416 
12417  def __str__(self):
12418  """__str__(BerendsenThermostatOptimizerState self) -> std::string"""
12419  return _IMP_atom.BerendsenThermostatOptimizerState___str__(self)
12420 
12421 
12422  def __repr__(self):
12423  """__repr__(BerendsenThermostatOptimizerState self) -> std::string"""
12424  return _IMP_atom.BerendsenThermostatOptimizerState___repr__(self)
12425 
12426 
12427  @staticmethod
12428  def get_from(o):
12429  return _object_cast_to_BerendsenThermostatOptimizerState(o)
12430 
12431 BerendsenThermostatOptimizerState_swigregister = _IMP_atom.BerendsenThermostatOptimizerState_swigregister
12432 BerendsenThermostatOptimizerState_swigregister(BerendsenThermostatOptimizerState)
12433 
12434 class LangevinThermostatOptimizerState(IMP.OptimizerState):
12435  """Proxy of C++ IMP::atom::LangevinThermostatOptimizerState class."""
12436 
12437  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12438 
12439  def __init__(self, m, pis, temperature, gamma):
12440  """__init__(IMP::atom::LangevinThermostatOptimizerState self, Model m, _ParticleIndexesAdaptor pis, double temperature, double gamma) -> LangevinThermostatOptimizerState"""
12441  this = _IMP_atom.new_LangevinThermostatOptimizerState(m, pis, temperature, gamma)
12442  try:
12443  self.this.append(this)
12444  except __builtin__.Exception:
12445  self.this = this
12446 
12447  def set_particles(self, pis):
12448  """set_particles(LangevinThermostatOptimizerState self, IMP::Particles const & pis)"""
12449  return _IMP_atom.LangevinThermostatOptimizerState_set_particles(self, pis)
12450 
12451 
12452  def get_temperature(self):
12453  """get_temperature(LangevinThermostatOptimizerState self) -> double"""
12454  return _IMP_atom.LangevinThermostatOptimizerState_get_temperature(self)
12455 
12456 
12457  def get_gamma(self):
12458  """get_gamma(LangevinThermostatOptimizerState self) -> double"""
12459  return _IMP_atom.LangevinThermostatOptimizerState_get_gamma(self)
12460 
12461 
12462  def set_temperature(self, temperature):
12463  """set_temperature(LangevinThermostatOptimizerState self, double temperature)"""
12464  return _IMP_atom.LangevinThermostatOptimizerState_set_temperature(self, temperature)
12465 
12466 
12467  def set_gamma(self, gamma):
12468  """set_gamma(LangevinThermostatOptimizerState self, double gamma)"""
12469  return _IMP_atom.LangevinThermostatOptimizerState_set_gamma(self, gamma)
12470 
12471 
12472  def rescale_velocities(self):
12473  """rescale_velocities(LangevinThermostatOptimizerState self)"""
12474  return _IMP_atom.LangevinThermostatOptimizerState_rescale_velocities(self)
12475 
12476 
12477  def get_version_info(self):
12478  """get_version_info(LangevinThermostatOptimizerState self) -> VersionInfo"""
12479  return _IMP_atom.LangevinThermostatOptimizerState_get_version_info(self)
12480 
12481 
12482  def __str__(self):
12483  """__str__(LangevinThermostatOptimizerState self) -> std::string"""
12484  return _IMP_atom.LangevinThermostatOptimizerState___str__(self)
12485 
12486 
12487  def __repr__(self):
12488  """__repr__(LangevinThermostatOptimizerState self) -> std::string"""
12489  return _IMP_atom.LangevinThermostatOptimizerState___repr__(self)
12490 
12491 
12492  @staticmethod
12493  def get_from(o):
12494  return _object_cast_to_LangevinThermostatOptimizerState(o)
12495 
12496 LangevinThermostatOptimizerState_swigregister = _IMP_atom.LangevinThermostatOptimizerState_swigregister
12497 LangevinThermostatOptimizerState_swigregister(LangevinThermostatOptimizerState)
12498 
12499 class PDBSelector(IMP.Object):
12500  """Proxy of C++ IMP::atom::PDBSelector class."""
12501 
12502  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12503 
12504  def __init__(self, name):
12505  """__init__(IMP::atom::PDBSelector self, std::string name) -> PDBSelector"""
12506  if self.__class__ == PDBSelector:
12507  _self = None
12508  else:
12509  _self = self
12510  this = _IMP_atom.new_PDBSelector(_self, name)
12511  try:
12512  self.this.append(this)
12513  except __builtin__.Exception:
12514  self.this = this
12515 
12516  if self.__class__ != PDBSelector:
12517  _director_objects.register(self)
12518 
12519 
12520 
12521 
12522  def get_is_selected(self, pdb_line):
12523  """get_is_selected(PDBSelector self, std::string const & pdb_line) -> bool"""
12524  return _IMP_atom.PDBSelector_get_is_selected(self, pdb_line)
12525 
12526  __swig_destroy__ = _IMP_atom.delete_PDBSelector
12527  __del__ = lambda self: None
12528 
12529  def __str__(self):
12530  """__str__(PDBSelector self) -> std::string"""
12531  return _IMP_atom.PDBSelector___str__(self)
12532 
12533 
12534  def __repr__(self):
12535  """__repr__(PDBSelector self) -> std::string"""
12536  return _IMP_atom.PDBSelector___repr__(self)
12537 
12538 
12539  @staticmethod
12540  def get_from(o):
12541  return _object_cast_to_PDBSelector(o)
12542 
12543 
12544  def get_type_name(self):
12545  return self.__class__.__name__
12546  def do_show(self, out):
12547  pass
12548  def get_version_info(self):
12549  if"IMP::atom" == "IMP":
12550  return VersionInfo(self.__module__,
12551  __import__(self.__module__).get_module_version())
12552  else:
12553  return IMP.VersionInfo(self.__module__,
12554  __import__(self.__module__).get_module_version())
12555  @staticmethod
12556  def get_from(o):
12557  return _object_cast_to_PDBSelector(o)
12558 
12559 
12560  def __and__(self, s):
12561  return AndPDBSelector(self, s)
12562  def __or__(self, s):
12563  return OrPDBSelector(self, s)
12564  def __xor__(self, s):
12565  return XorPDBSelector(self, s)
12566  def __invert__(self):
12567  return NotPDBSelector(self)
12568  def __sub__(self, s):
12569  return AndPDBSelector(self, NotPDBSelector(s))
12570 
12571  def __disown__(self):
12572  self.this.disown()
12573  _IMP_atom.disown_PDBSelector(self)
12574  return weakref_proxy(self)
12575 
12576  def do_destroy(self):
12577  """do_destroy(PDBSelector self)"""
12578  return _IMP_atom.PDBSelector_do_destroy(self)
12579 
12580 PDBSelector_swigregister = _IMP_atom.PDBSelector_swigregister
12581 PDBSelector_swigregister(PDBSelector)
12582 
12583 class NonAlternativePDBSelector(PDBSelector):
12584  """Proxy of C++ IMP::atom::NonAlternativePDBSelector class."""
12585 
12586  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12587 
12588  def __init__(self, *args):
12589  """
12590  __init__(IMP::atom::NonAlternativePDBSelector self, std::string name) -> NonAlternativePDBSelector
12591  __init__(IMP::atom::NonAlternativePDBSelector self) -> NonAlternativePDBSelector
12592  """
12593  this = _IMP_atom.new_NonAlternativePDBSelector(*args)
12594  try:
12595  self.this.append(this)
12596  except __builtin__.Exception:
12597  self.this = this
12598 
12599  def get_version_info(self):
12600  """get_version_info(NonAlternativePDBSelector self) -> VersionInfo"""
12601  return _IMP_atom.NonAlternativePDBSelector_get_version_info(self)
12602 
12603 
12604  def __str__(self):
12605  """__str__(NonAlternativePDBSelector self) -> std::string"""
12606  return _IMP_atom.NonAlternativePDBSelector___str__(self)
12607 
12608 
12609  def __repr__(self):
12610  """__repr__(NonAlternativePDBSelector self) -> std::string"""
12611  return _IMP_atom.NonAlternativePDBSelector___repr__(self)
12612 
12613 
12614  @staticmethod
12615  def get_from(o):
12616  return _object_cast_to_NonAlternativePDBSelector(o)
12617 
12618 NonAlternativePDBSelector_swigregister = _IMP_atom.NonAlternativePDBSelector_swigregister
12619 NonAlternativePDBSelector_swigregister(NonAlternativePDBSelector)
12620 
12621 class ATOMPDBSelector(NonAlternativePDBSelector):
12622  """Proxy of C++ IMP::atom::ATOMPDBSelector class."""
12623 
12624  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12625 
12626  def __init__(self, *args):
12627  """
12628  __init__(IMP::atom::ATOMPDBSelector self, std::string name) -> ATOMPDBSelector
12629  __init__(IMP::atom::ATOMPDBSelector self) -> ATOMPDBSelector
12630  """
12631  this = _IMP_atom.new_ATOMPDBSelector(*args)
12632  try:
12633  self.this.append(this)
12634  except __builtin__.Exception:
12635  self.this = this
12636 
12637  def __str__(self):
12638  """__str__(ATOMPDBSelector self) -> std::string"""
12639  return _IMP_atom.ATOMPDBSelector___str__(self)
12640 
12641 
12642  def __repr__(self):
12643  """__repr__(ATOMPDBSelector self) -> std::string"""
12644  return _IMP_atom.ATOMPDBSelector___repr__(self)
12645 
12646 
12647  @staticmethod
12648  def get_from(o):
12649  return _object_cast_to_ATOMPDBSelector(o)
12650 
12651 ATOMPDBSelector_swigregister = _IMP_atom.ATOMPDBSelector_swigregister
12652 ATOMPDBSelector_swigregister(ATOMPDBSelector)
12653 
12654 class CAlphaPDBSelector(NonAlternativePDBSelector):
12655  """Proxy of C++ IMP::atom::CAlphaPDBSelector class."""
12656 
12657  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12658 
12659  def __init__(self, *args):
12660  """
12661  __init__(IMP::atom::CAlphaPDBSelector self, std::string name) -> CAlphaPDBSelector
12662  __init__(IMP::atom::CAlphaPDBSelector self) -> CAlphaPDBSelector
12663  """
12664  this = _IMP_atom.new_CAlphaPDBSelector(*args)
12665  try:
12666  self.this.append(this)
12667  except __builtin__.Exception:
12668  self.this = this
12669 
12670  def __str__(self):
12671  """__str__(CAlphaPDBSelector self) -> std::string"""
12672  return _IMP_atom.CAlphaPDBSelector___str__(self)
12673 
12674 
12675  def __repr__(self):
12676  """__repr__(CAlphaPDBSelector self) -> std::string"""
12677  return _IMP_atom.CAlphaPDBSelector___repr__(self)
12678 
12679 
12680  @staticmethod
12681  def get_from(o):
12682  return _object_cast_to_CAlphaPDBSelector(o)
12683 
12684 CAlphaPDBSelector_swigregister = _IMP_atom.CAlphaPDBSelector_swigregister
12685 CAlphaPDBSelector_swigregister(CAlphaPDBSelector)
12686 
12687 class CBetaPDBSelector(NonAlternativePDBSelector):
12688  """Proxy of C++ IMP::atom::CBetaPDBSelector class."""
12689 
12690  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12691 
12692  def __init__(self, *args):
12693  """
12694  __init__(IMP::atom::CBetaPDBSelector self, std::string name) -> CBetaPDBSelector
12695  __init__(IMP::atom::CBetaPDBSelector self) -> CBetaPDBSelector
12696  """
12697  this = _IMP_atom.new_CBetaPDBSelector(*args)
12698  try:
12699  self.this.append(this)
12700  except __builtin__.Exception:
12701  self.this = this
12702 
12703  def __str__(self):
12704  """__str__(CBetaPDBSelector self) -> std::string"""
12705  return _IMP_atom.CBetaPDBSelector___str__(self)
12706 
12707 
12708  def __repr__(self):
12709  """__repr__(CBetaPDBSelector self) -> std::string"""
12710  return _IMP_atom.CBetaPDBSelector___repr__(self)
12711 
12712 
12713  @staticmethod
12714  def get_from(o):
12715  return _object_cast_to_CBetaPDBSelector(o)
12716 
12717 CBetaPDBSelector_swigregister = _IMP_atom.CBetaPDBSelector_swigregister
12718 CBetaPDBSelector_swigregister(CBetaPDBSelector)
12719 
12720 class AtomTypePDBSelector(PDBSelector):
12721  """Proxy of C++ IMP::atom::AtomTypePDBSelector class."""
12722 
12723  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12724 
12725  def __init__(self, *args):
12726  """
12727  __init__(IMP::atom::AtomTypePDBSelector self, IMP::Strings atom_types, std::string name) -> AtomTypePDBSelector
12728  __init__(IMP::atom::AtomTypePDBSelector self, IMP::Strings atom_types) -> AtomTypePDBSelector
12729  """
12730  this = _IMP_atom.new_AtomTypePDBSelector(*args)
12731  try:
12732  self.this.append(this)
12733  except __builtin__.Exception:
12734  self.this = this
12735 
12736  def get_version_info(self):
12737  """get_version_info(AtomTypePDBSelector self) -> VersionInfo"""
12738  return _IMP_atom.AtomTypePDBSelector_get_version_info(self)
12739 
12740 
12741  def __str__(self):
12742  """__str__(AtomTypePDBSelector self) -> std::string"""
12743  return _IMP_atom.AtomTypePDBSelector___str__(self)
12744 
12745 
12746  def __repr__(self):
12747  """__repr__(AtomTypePDBSelector self) -> std::string"""
12748  return _IMP_atom.AtomTypePDBSelector___repr__(self)
12749 
12750 
12751  @staticmethod
12752  def get_from(o):
12753  return _object_cast_to_AtomTypePDBSelector(o)
12754 
12755 AtomTypePDBSelector_swigregister = _IMP_atom.AtomTypePDBSelector_swigregister
12756 AtomTypePDBSelector_swigregister(AtomTypePDBSelector)
12757 
12758 class ResidueTypePDBSelector(PDBSelector):
12759  """Proxy of C++ IMP::atom::ResidueTypePDBSelector class."""
12760 
12761  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12762 
12763  def __init__(self, *args):
12764  """
12765  __init__(IMP::atom::ResidueTypePDBSelector self, IMP::Strings residue_types, std::string name) -> ResidueTypePDBSelector
12766  __init__(IMP::atom::ResidueTypePDBSelector self, IMP::Strings residue_types) -> ResidueTypePDBSelector
12767  """
12768  this = _IMP_atom.new_ResidueTypePDBSelector(*args)
12769  try:
12770  self.this.append(this)
12771  except __builtin__.Exception:
12772  self.this = this
12773 
12774  def get_version_info(self):
12775  """get_version_info(ResidueTypePDBSelector self) -> VersionInfo"""
12776  return _IMP_atom.ResidueTypePDBSelector_get_version_info(self)
12777 
12778 
12779  def __str__(self):
12780  """__str__(ResidueTypePDBSelector self) -> std::string"""
12781  return _IMP_atom.ResidueTypePDBSelector___str__(self)
12782 
12783 
12784  def __repr__(self):
12785  """__repr__(ResidueTypePDBSelector self) -> std::string"""
12786  return _IMP_atom.ResidueTypePDBSelector___repr__(self)
12787 
12788 
12789  @staticmethod
12790  def get_from(o):
12791  return _object_cast_to_ResidueTypePDBSelector(o)
12792 
12793 ResidueTypePDBSelector_swigregister = _IMP_atom.ResidueTypePDBSelector_swigregister
12794 ResidueTypePDBSelector_swigregister(ResidueTypePDBSelector)
12795 
12796 class CPDBSelector(NonAlternativePDBSelector):
12797  """Proxy of C++ IMP::atom::CPDBSelector class."""
12798 
12799  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12800 
12801  def __init__(self, *args):
12802  """
12803  __init__(IMP::atom::CPDBSelector self, std::string name) -> CPDBSelector
12804  __init__(IMP::atom::CPDBSelector self) -> CPDBSelector
12805  """
12806  this = _IMP_atom.new_CPDBSelector(*args)
12807  try:
12808  self.this.append(this)
12809  except __builtin__.Exception:
12810  self.this = this
12811 
12812  def __str__(self):
12813  """__str__(CPDBSelector self) -> std::string"""
12814  return _IMP_atom.CPDBSelector___str__(self)
12815 
12816 
12817  def __repr__(self):
12818  """__repr__(CPDBSelector self) -> std::string"""
12819  return _IMP_atom.CPDBSelector___repr__(self)
12820 
12821 
12822  @staticmethod
12823  def get_from(o):
12824  return _object_cast_to_CPDBSelector(o)
12825 
12826 CPDBSelector_swigregister = _IMP_atom.CPDBSelector_swigregister
12827 CPDBSelector_swigregister(CPDBSelector)
12828 
12829 class NPDBSelector(NonAlternativePDBSelector):
12830  """Proxy of C++ IMP::atom::NPDBSelector class."""
12831 
12832  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12833 
12834  def __init__(self, *args):
12835  """
12836  __init__(IMP::atom::NPDBSelector self, std::string name) -> NPDBSelector
12837  __init__(IMP::atom::NPDBSelector self) -> NPDBSelector
12838  """
12839  this = _IMP_atom.new_NPDBSelector(*args)
12840  try:
12841  self.this.append(this)
12842  except __builtin__.Exception:
12843  self.this = this
12844 
12845  def __str__(self):
12846  """__str__(NPDBSelector self) -> std::string"""
12847  return _IMP_atom.NPDBSelector___str__(self)
12848 
12849 
12850  def __repr__(self):
12851  """__repr__(NPDBSelector self) -> std::string"""
12852  return _IMP_atom.NPDBSelector___repr__(self)
12853 
12854 
12855  @staticmethod
12856  def get_from(o):
12857  return _object_cast_to_NPDBSelector(o)
12858 
12859 NPDBSelector_swigregister = _IMP_atom.NPDBSelector_swigregister
12860 NPDBSelector_swigregister(NPDBSelector)
12861 
12862 class AllPDBSelector(PDBSelector):
12863  """Proxy of C++ IMP::atom::AllPDBSelector class."""
12864 
12865  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12866 
12867  def __init__(self, *args):
12868  """
12869  __init__(IMP::atom::AllPDBSelector self, std::string name) -> AllPDBSelector
12870  __init__(IMP::atom::AllPDBSelector self) -> AllPDBSelector
12871  """
12872  this = _IMP_atom.new_AllPDBSelector(*args)
12873  try:
12874  self.this.append(this)
12875  except __builtin__.Exception:
12876  self.this = this
12877 
12878  def get_version_info(self):
12879  """get_version_info(AllPDBSelector self) -> VersionInfo"""
12880  return _IMP_atom.AllPDBSelector_get_version_info(self)
12881 
12882 
12883  def __str__(self):
12884  """__str__(AllPDBSelector self) -> std::string"""
12885  return _IMP_atom.AllPDBSelector___str__(self)
12886 
12887 
12888  def __repr__(self):
12889  """__repr__(AllPDBSelector self) -> std::string"""
12890  return _IMP_atom.AllPDBSelector___repr__(self)
12891 
12892 
12893  @staticmethod
12894  def get_from(o):
12895  return _object_cast_to_AllPDBSelector(o)
12896 
12897 AllPDBSelector_swigregister = _IMP_atom.AllPDBSelector_swigregister
12898 AllPDBSelector_swigregister(AllPDBSelector)
12899 
12900 class ChainPDBSelector(NonAlternativePDBSelector):
12901  """Proxy of C++ IMP::atom::ChainPDBSelector class."""
12902 
12903  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12904 
12905  def __init__(self, *args):
12906  """
12907  __init__(IMP::atom::ChainPDBSelector self, std::string const & chains, std::string name) -> ChainPDBSelector
12908  __init__(IMP::atom::ChainPDBSelector self, std::string const & chains) -> ChainPDBSelector
12909  """
12910  this = _IMP_atom.new_ChainPDBSelector(*args)
12911  try:
12912  self.this.append(this)
12913  except __builtin__.Exception:
12914  self.this = this
12915 
12916  def __str__(self):
12917  """__str__(ChainPDBSelector self) -> std::string"""
12918  return _IMP_atom.ChainPDBSelector___str__(self)
12919 
12920 
12921  def __repr__(self):
12922  """__repr__(ChainPDBSelector self) -> std::string"""
12923  return _IMP_atom.ChainPDBSelector___repr__(self)
12924 
12925 
12926  @staticmethod
12927  def get_from(o):
12928  return _object_cast_to_ChainPDBSelector(o)
12929 
12930 ChainPDBSelector_swigregister = _IMP_atom.ChainPDBSelector_swigregister
12931 ChainPDBSelector_swigregister(ChainPDBSelector)
12932 
12933 class WaterPDBSelector(NonAlternativePDBSelector):
12934  """Proxy of C++ IMP::atom::WaterPDBSelector class."""
12935 
12936  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12937 
12938  def __init__(self, *args):
12939  """
12940  __init__(IMP::atom::WaterPDBSelector self, std::string name) -> WaterPDBSelector
12941  __init__(IMP::atom::WaterPDBSelector self) -> WaterPDBSelector
12942  """
12943  this = _IMP_atom.new_WaterPDBSelector(*args)
12944  try:
12945  self.this.append(this)
12946  except __builtin__.Exception:
12947  self.this = this
12948 
12949  def __str__(self):
12950  """__str__(WaterPDBSelector self) -> std::string"""
12951  return _IMP_atom.WaterPDBSelector___str__(self)
12952 
12953 
12954  def __repr__(self):
12955  """__repr__(WaterPDBSelector self) -> std::string"""
12956  return _IMP_atom.WaterPDBSelector___repr__(self)
12957 
12958 
12959  @staticmethod
12960  def get_from(o):
12961  return _object_cast_to_WaterPDBSelector(o)
12962 
12963 WaterPDBSelector_swigregister = _IMP_atom.WaterPDBSelector_swigregister
12964 WaterPDBSelector_swigregister(WaterPDBSelector)
12965 
12966 class HydrogenPDBSelector(NonAlternativePDBSelector):
12967  """Proxy of C++ IMP::atom::HydrogenPDBSelector class."""
12968 
12969  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12970 
12971  def __init__(self, *args):
12972  """
12973  __init__(IMP::atom::HydrogenPDBSelector self, std::string name) -> HydrogenPDBSelector
12974  __init__(IMP::atom::HydrogenPDBSelector self) -> HydrogenPDBSelector
12975  """
12976  this = _IMP_atom.new_HydrogenPDBSelector(*args)
12977  try:
12978  self.this.append(this)
12979  except __builtin__.Exception:
12980  self.this = this
12981 
12982  def __str__(self):
12983  """__str__(HydrogenPDBSelector self) -> std::string"""
12984  return _IMP_atom.HydrogenPDBSelector___str__(self)
12985 
12986 
12987  def __repr__(self):
12988  """__repr__(HydrogenPDBSelector self) -> std::string"""
12989  return _IMP_atom.HydrogenPDBSelector___repr__(self)
12990 
12991 
12992  @staticmethod
12993  def get_from(o):
12994  return _object_cast_to_HydrogenPDBSelector(o)
12995 
12996 HydrogenPDBSelector_swigregister = _IMP_atom.HydrogenPDBSelector_swigregister
12997 HydrogenPDBSelector_swigregister(HydrogenPDBSelector)
12998 
12999 class NonWaterNonHydrogenPDBSelector(NonAlternativePDBSelector):
13000  """Proxy of C++ IMP::atom::NonWaterNonHydrogenPDBSelector class."""
13001 
13002  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13003 
13004  def __init__(self, *args):
13005  """
13006  __init__(IMP::atom::NonWaterNonHydrogenPDBSelector self, std::string name) -> NonWaterNonHydrogenPDBSelector
13007  __init__(IMP::atom::NonWaterNonHydrogenPDBSelector self) -> NonWaterNonHydrogenPDBSelector
13008  """
13009  this = _IMP_atom.new_NonWaterNonHydrogenPDBSelector(*args)
13010  try:
13011  self.this.append(this)
13012  except __builtin__.Exception:
13013  self.this = this
13014 
13015  def __str__(self):
13016  """__str__(NonWaterNonHydrogenPDBSelector self) -> std::string"""
13017  return _IMP_atom.NonWaterNonHydrogenPDBSelector___str__(self)
13018 
13019 
13020  def __repr__(self):
13021  """__repr__(NonWaterNonHydrogenPDBSelector self) -> std::string"""
13022  return _IMP_atom.NonWaterNonHydrogenPDBSelector___repr__(self)
13023 
13024 
13025  @staticmethod
13026  def get_from(o):
13027  return _object_cast_to_NonWaterNonHydrogenPDBSelector(o)
13028 
13029 NonWaterNonHydrogenPDBSelector_swigregister = _IMP_atom.NonWaterNonHydrogenPDBSelector_swigregister
13030 NonWaterNonHydrogenPDBSelector_swigregister(NonWaterNonHydrogenPDBSelector)
13031 
13032 class NonHydrogenPDBSelector(NonAlternativePDBSelector):
13033  """Proxy of C++ IMP::atom::NonHydrogenPDBSelector class."""
13034 
13035  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13036 
13037  def __init__(self, *args):
13038  """
13039  __init__(IMP::atom::NonHydrogenPDBSelector self, std::string name) -> NonHydrogenPDBSelector
13040  __init__(IMP::atom::NonHydrogenPDBSelector self) -> NonHydrogenPDBSelector
13041  """
13042  this = _IMP_atom.new_NonHydrogenPDBSelector(*args)
13043  try:
13044  self.this.append(this)
13045  except __builtin__.Exception:
13046  self.this = this
13047 
13048  def __str__(self):
13049  """__str__(NonHydrogenPDBSelector self) -> std::string"""
13050  return _IMP_atom.NonHydrogenPDBSelector___str__(self)
13051 
13052 
13053  def __repr__(self):
13054  """__repr__(NonHydrogenPDBSelector self) -> std::string"""
13055  return _IMP_atom.NonHydrogenPDBSelector___repr__(self)
13056 
13057 
13058  @staticmethod
13059  def get_from(o):
13060  return _object_cast_to_NonHydrogenPDBSelector(o)
13061 
13062 NonHydrogenPDBSelector_swigregister = _IMP_atom.NonHydrogenPDBSelector_swigregister
13063 NonHydrogenPDBSelector_swigregister(NonHydrogenPDBSelector)
13064 
13065 class NonWaterPDBSelector(NonAlternativePDBSelector):
13066  """Proxy of C++ IMP::atom::NonWaterPDBSelector class."""
13067 
13068  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13069 
13070  def __init__(self, *args):
13071  """
13072  __init__(IMP::atom::NonWaterPDBSelector self, std::string name) -> NonWaterPDBSelector
13073  __init__(IMP::atom::NonWaterPDBSelector self) -> NonWaterPDBSelector
13074  """
13075  this = _IMP_atom.new_NonWaterPDBSelector(*args)
13076  try:
13077  self.this.append(this)
13078  except __builtin__.Exception:
13079  self.this = this
13080 
13081  def __str__(self):
13082  """__str__(NonWaterPDBSelector self) -> std::string"""
13083  return _IMP_atom.NonWaterPDBSelector___str__(self)
13084 
13085 
13086  def __repr__(self):
13087  """__repr__(NonWaterPDBSelector self) -> std::string"""
13088  return _IMP_atom.NonWaterPDBSelector___repr__(self)
13089 
13090 
13091  @staticmethod
13092  def get_from(o):
13093  return _object_cast_to_NonWaterPDBSelector(o)
13094 
13095 NonWaterPDBSelector_swigregister = _IMP_atom.NonWaterPDBSelector_swigregister
13096 NonWaterPDBSelector_swigregister(NonWaterPDBSelector)
13097 
13098 class BackbonePDBSelector(NonWaterNonHydrogenPDBSelector):
13099  """Proxy of C++ IMP::atom::BackbonePDBSelector class."""
13100 
13101  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13102 
13103  def __init__(self, *args):
13104  """
13105  __init__(IMP::atom::BackbonePDBSelector self, std::string name) -> BackbonePDBSelector
13106  __init__(IMP::atom::BackbonePDBSelector self) -> BackbonePDBSelector
13107  """
13108  this = _IMP_atom.new_BackbonePDBSelector(*args)
13109  try:
13110  self.this.append(this)
13111  except __builtin__.Exception:
13112  self.this = this
13113 
13114  def __str__(self):
13115  """__str__(BackbonePDBSelector self) -> std::string"""
13116  return _IMP_atom.BackbonePDBSelector___str__(self)
13117 
13118 
13119  def __repr__(self):
13120  """__repr__(BackbonePDBSelector self) -> std::string"""
13121  return _IMP_atom.BackbonePDBSelector___repr__(self)
13122 
13123 
13124  @staticmethod
13125  def get_from(o):
13126  return _object_cast_to_BackbonePDBSelector(o)
13127 
13128 BackbonePDBSelector_swigregister = _IMP_atom.BackbonePDBSelector_swigregister
13129 BackbonePDBSelector_swigregister(BackbonePDBSelector)
13130 
13131 class PPDBSelector(NonAlternativePDBSelector):
13132  """Proxy of C++ IMP::atom::PPDBSelector class."""
13133 
13134  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13135 
13136  def __init__(self, *args):
13137  """
13138  __init__(IMP::atom::PPDBSelector self, std::string name) -> PPDBSelector
13139  __init__(IMP::atom::PPDBSelector self) -> PPDBSelector
13140  """
13141  this = _IMP_atom.new_PPDBSelector(*args)
13142  try:
13143  self.this.append(this)
13144  except __builtin__.Exception:
13145  self.this = this
13146 
13147  def __str__(self):
13148  """__str__(PPDBSelector self) -> std::string"""
13149  return _IMP_atom.PPDBSelector___str__(self)
13150 
13151 
13152  def __repr__(self):
13153  """__repr__(PPDBSelector self) -> std::string"""
13154  return _IMP_atom.PPDBSelector___repr__(self)
13155 
13156 
13157  @staticmethod
13158  def get_from(o):
13159  return _object_cast_to_PPDBSelector(o)
13160 
13161 PPDBSelector_swigregister = _IMP_atom.PPDBSelector_swigregister
13162 PPDBSelector_swigregister(PPDBSelector)
13163 
13164 class AndPDBSelector(PDBSelector):
13165  """Proxy of C++ IMP::atom::AndPDBSelector class."""
13166 
13167  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13168 
13169  def get_version_info(self):
13170  """get_version_info(AndPDBSelector self) -> VersionInfo"""
13171  return _IMP_atom.AndPDBSelector_get_version_info(self)
13172 
13173 
13174  def __init__(self, a, b):
13175  """__init__(IMP::atom::AndPDBSelector self, PDBSelector a, PDBSelector b) -> AndPDBSelector"""
13176  this = _IMP_atom.new_AndPDBSelector(a, b)
13177  try:
13178  self.this.append(this)
13179  except __builtin__.Exception:
13180  self.this = this
13181 
13182  def __str__(self):
13183  """__str__(AndPDBSelector self) -> std::string"""
13184  return _IMP_atom.AndPDBSelector___str__(self)
13185 
13186 
13187  def __repr__(self):
13188  """__repr__(AndPDBSelector self) -> std::string"""
13189  return _IMP_atom.AndPDBSelector___repr__(self)
13190 
13191 
13192  @staticmethod
13193  def get_from(o):
13194  return _object_cast_to_AndPDBSelector(o)
13195 
13196 AndPDBSelector_swigregister = _IMP_atom.AndPDBSelector_swigregister
13197 AndPDBSelector_swigregister(AndPDBSelector)
13198 
13199 class OrPDBSelector(PDBSelector):
13200  """Proxy of C++ IMP::atom::OrPDBSelector class."""
13201 
13202  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13203 
13204  def get_version_info(self):
13205  """get_version_info(OrPDBSelector self) -> VersionInfo"""
13206  return _IMP_atom.OrPDBSelector_get_version_info(self)
13207 
13208 
13209  def __init__(self, a, b):
13210  """__init__(IMP::atom::OrPDBSelector self, PDBSelector a, PDBSelector b) -> OrPDBSelector"""
13211  this = _IMP_atom.new_OrPDBSelector(a, b)
13212  try:
13213  self.this.append(this)
13214  except __builtin__.Exception:
13215  self.this = this
13216 
13217  def __str__(self):
13218  """__str__(OrPDBSelector self) -> std::string"""
13219  return _IMP_atom.OrPDBSelector___str__(self)
13220 
13221 
13222  def __repr__(self):
13223  """__repr__(OrPDBSelector self) -> std::string"""
13224  return _IMP_atom.OrPDBSelector___repr__(self)
13225 
13226 
13227  @staticmethod
13228  def get_from(o):
13229  return _object_cast_to_OrPDBSelector(o)
13230 
13231 OrPDBSelector_swigregister = _IMP_atom.OrPDBSelector_swigregister
13232 OrPDBSelector_swigregister(OrPDBSelector)
13233 
13234 class XorPDBSelector(PDBSelector):
13235  """Proxy of C++ IMP::atom::XorPDBSelector class."""
13236 
13237  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13238 
13239  def get_version_info(self):
13240  """get_version_info(XorPDBSelector self) -> VersionInfo"""
13241  return _IMP_atom.XorPDBSelector_get_version_info(self)
13242 
13243 
13244  def __init__(self, a, b):
13245  """__init__(IMP::atom::XorPDBSelector self, PDBSelector a, PDBSelector b) -> XorPDBSelector"""
13246  this = _IMP_atom.new_XorPDBSelector(a, b)
13247  try:
13248  self.this.append(this)
13249  except __builtin__.Exception:
13250  self.this = this
13251 
13252  def __str__(self):
13253  """__str__(XorPDBSelector self) -> std::string"""
13254  return _IMP_atom.XorPDBSelector___str__(self)
13255 
13256 
13257  def __repr__(self):
13258  """__repr__(XorPDBSelector self) -> std::string"""
13259  return _IMP_atom.XorPDBSelector___repr__(self)
13260 
13261 
13262  @staticmethod
13263  def get_from(o):
13264  return _object_cast_to_XorPDBSelector(o)
13265 
13266 XorPDBSelector_swigregister = _IMP_atom.XorPDBSelector_swigregister
13267 XorPDBSelector_swigregister(XorPDBSelector)
13268 
13269 class NotPDBSelector(PDBSelector):
13270  """Proxy of C++ IMP::atom::NotPDBSelector class."""
13271 
13272  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13273 
13274  def get_version_info(self):
13275  """get_version_info(NotPDBSelector self) -> VersionInfo"""
13276  return _IMP_atom.NotPDBSelector_get_version_info(self)
13277 
13278 
13279  def __init__(self, a):
13280  """__init__(IMP::atom::NotPDBSelector self, PDBSelector a) -> NotPDBSelector"""
13281  this = _IMP_atom.new_NotPDBSelector(a)
13282  try:
13283  self.this.append(this)
13284  except __builtin__.Exception:
13285  self.this = this
13286 
13287  def __str__(self):
13288  """__str__(NotPDBSelector self) -> std::string"""
13289  return _IMP_atom.NotPDBSelector___str__(self)
13290 
13291 
13292  def __repr__(self):
13293  """__repr__(NotPDBSelector self) -> std::string"""
13294  return _IMP_atom.NotPDBSelector___repr__(self)
13295 
13296 
13297  @staticmethod
13298  def get_from(o):
13299  return _object_cast_to_NotPDBSelector(o)
13300 
13301 NotPDBSelector_swigregister = _IMP_atom.NotPDBSelector_swigregister
13302 NotPDBSelector_swigregister(NotPDBSelector)
13303 
13304 
13305 def get_default_pdb_selector():
13306  """get_default_pdb_selector() -> PDBSelector"""
13307  return _IMP_atom.get_default_pdb_selector()
13308 
13309 def read_pdb(*args):
13310  """
13311  read_pdb(TextInput input, Model model, PDBSelector selector, bool select_first_model=True, bool no_radii=False) -> Hierarchy
13312  read_pdb(TextInput input, Model model, PDBSelector selector, bool select_first_model=True) -> Hierarchy
13313  read_pdb(TextInput input, Model model, PDBSelector selector) -> Hierarchy
13314  read_pdb(TextInput input, Model model) -> Hierarchy
13315  read_pdb(TextInput input, int model, Hierarchy h)
13316  """
13317  return _IMP_atom.read_pdb(*args)
13318 
13319 def read_multimodel_pdb(*args):
13320  """
13321  read_multimodel_pdb(TextInput input, Model model, PDBSelector selector, bool noradii=False) -> IMP::atom::Hierarchies
13322  read_multimodel_pdb(TextInput input, Model model, PDBSelector selector) -> IMP::atom::Hierarchies
13323  read_multimodel_pdb(TextInput input, Model model) -> IMP::atom::Hierarchies
13324  """
13325  return _IMP_atom.read_multimodel_pdb(*args)
13326 
13327 def write_pdb(mhd, out, model=1):
13328  """
13329  write_pdb(Selection mhd, TextOutput out, unsigned int model=1)
13330  write_pdb(Selection mhd, TextOutput out)
13331  """
13332  return _IMP_atom.write_pdb(mhd, out, model)
13333 
13334 def write_pdb_of_c_alphas(mhd, out, model=1):
13335  """
13336  write_pdb_of_c_alphas(Selection mhd, TextOutput out, unsigned int model=1)
13337  write_pdb_of_c_alphas(Selection mhd, TextOutput out)
13338  """
13339  return _IMP_atom.write_pdb_of_c_alphas(mhd, out, model)
13340 
13341 def write_multimodel_pdb(mhd, out):
13342  """write_multimodel_pdb(IMP::atom::Hierarchies const & mhd, TextOutput out)"""
13343  return _IMP_atom.write_multimodel_pdb(mhd, out)
13344 
13345 def get_pdb_string(*args):
13346  """
13347  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
13348  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
13349  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
13350  get_pdb_string(Vector3D v, int index=-1, AtomType at, ResidueType rt, char chain, int res_index=1, char res_icode) -> std::string
13351  get_pdb_string(Vector3D v, int index=-1, AtomType at, ResidueType rt, char chain, int res_index=1) -> std::string
13352  get_pdb_string(Vector3D v, int index=-1, AtomType at, ResidueType rt, char chain) -> std::string
13353  get_pdb_string(Vector3D v, int index=-1, AtomType at, ResidueType rt) -> std::string
13354  get_pdb_string(Vector3D v, int index=-1, AtomType at) -> std::string
13355  get_pdb_string(Vector3D v, int index=-1) -> std::string
13356  get_pdb_string(Vector3D v) -> std::string
13357  """
13358  return _IMP_atom.get_pdb_string(*args)
13359 
13360 def get_pdb_conect_record_string(arg1, arg2):
13361  """get_pdb_conect_record_string(int arg1, int arg2) -> std::string"""
13362  return _IMP_atom.get_pdb_conect_record_string(arg1, arg2)
13363 class WritePDBOptimizerState(IMP.OptimizerState):
13364  """Proxy of C++ IMP::atom::WritePDBOptimizerState class."""
13365 
13366  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13367 
13368  def __init__(self, *args):
13369  """
13370  __init__(IMP::atom::WritePDBOptimizerState self, Model m, _ParticleIndexesAdaptor pis, std::string filename) -> WritePDBOptimizerState
13371  __init__(IMP::atom::WritePDBOptimizerState self, IMP::atom::Hierarchies const mh, std::string filename) -> WritePDBOptimizerState
13372  """
13373  this = _IMP_atom.new_WritePDBOptimizerState(*args)
13374  try:
13375  self.this.append(this)
13376  except __builtin__.Exception:
13377  self.this = this
13378 
13379  def get_version_info(self):
13380  """get_version_info(WritePDBOptimizerState self) -> VersionInfo"""
13381  return _IMP_atom.WritePDBOptimizerState_get_version_info(self)
13382 
13383 
13384  def __str__(self):
13385  """__str__(WritePDBOptimizerState self) -> std::string"""
13386  return _IMP_atom.WritePDBOptimizerState___str__(self)
13387 
13388 
13389  def __repr__(self):
13390  """__repr__(WritePDBOptimizerState self) -> std::string"""
13391  return _IMP_atom.WritePDBOptimizerState___repr__(self)
13392 
13393 
13394  @staticmethod
13395  def get_from(o):
13396  return _object_cast_to_WritePDBOptimizerState(o)
13397 
13398 WritePDBOptimizerState_swigregister = _IMP_atom.WritePDBOptimizerState_swigregister
13399 WritePDBOptimizerState_swigregister(WritePDBOptimizerState)
13400 
13401 
13402 def read_multimodel_mmcif(*args):
13403  """
13404  read_multimodel_mmcif(TextInput input, Model model, PDBSelector selector, bool noradii=False) -> IMP::atom::Hierarchies
13405  read_multimodel_mmcif(TextInput input, Model model, PDBSelector selector) -> IMP::atom::Hierarchies
13406  read_multimodel_mmcif(TextInput input, Model model) -> IMP::atom::Hierarchies
13407  """
13408  return _IMP_atom.read_multimodel_mmcif(*args)
13409 
13410 def read_mmcif(*args):
13411  """
13412  read_mmcif(TextInput input, Model model, PDBSelector selector, bool noradii=False) -> Hierarchy
13413  read_mmcif(TextInput input, Model model, PDBSelector selector) -> Hierarchy
13414  read_mmcif(TextInput input, Model model) -> Hierarchy
13415  """
13416  return _IMP_atom.read_mmcif(*args)
13417 
13418 def get_kt(T):
13419  """get_kt(double T) -> double"""
13420  return _IMP_atom.get_kt(T)
13421 class CAAngleRestraint(IMP.Restraint):
13422  """Proxy of C++ IMP::atom::CAAngleRestraint class."""
13423 
13424  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13425 
13426  def __init__(self, m, p1, p2, p3, phi0, score):
13427  """__init__(IMP::atom::CAAngleRestraint self, Model m, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3, IMP::Floats phi0, IMP::Floats score) -> CAAngleRestraint"""
13428  this = _IMP_atom.new_CAAngleRestraint(m, p1, p2, p3, phi0, score)
13429  try:
13430  self.this.append(this)
13431  except __builtin__.Exception:
13432  self.this = this
13433 
13434  def do_get_inputs(self):
13435  """do_get_inputs(CAAngleRestraint self) -> IMP::ModelObjectsTemp"""
13436  return _IMP_atom.CAAngleRestraint_do_get_inputs(self)
13437 
13438 
13439  def get_version_info(self):
13440  """get_version_info(CAAngleRestraint self) -> VersionInfo"""
13441  return _IMP_atom.CAAngleRestraint_get_version_info(self)
13442 
13443 
13444  def __str__(self):
13445  """__str__(CAAngleRestraint self) -> std::string"""
13446  return _IMP_atom.CAAngleRestraint___str__(self)
13447 
13448 
13449  def __repr__(self):
13450  """__repr__(CAAngleRestraint self) -> std::string"""
13451  return _IMP_atom.CAAngleRestraint___repr__(self)
13452 
13453 
13454  @staticmethod
13455  def get_from(o):
13456  return _object_cast_to_CAAngleRestraint(o)
13457 
13458 CAAngleRestraint_swigregister = _IMP_atom.CAAngleRestraint_swigregister
13459 CAAngleRestraint_swigregister(CAAngleRestraint)
13460 
13461 class CADihedralRestraint(IMP.Restraint):
13462  """Proxy of C++ IMP::atom::CADihedralRestraint class."""
13463 
13464  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13465 
13466  def __init__(self, m, p1, p2, p3, p4, p5, phi0, phi1, score):
13467  """__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"""
13468  this = _IMP_atom.new_CADihedralRestraint(m, p1, p2, p3, p4, p5, phi0, phi1, score)
13469  try:
13470  self.this.append(this)
13471  except __builtin__.Exception:
13472  self.this = this
13473 
13474  def do_get_inputs(self):
13475  """do_get_inputs(CADihedralRestraint self) -> IMP::ModelObjectsTemp"""
13476  return _IMP_atom.CADihedralRestraint_do_get_inputs(self)
13477 
13478 
13479  def get_version_info(self):
13480  """get_version_info(CADihedralRestraint self) -> VersionInfo"""
13481  return _IMP_atom.CADihedralRestraint_get_version_info(self)
13482 
13483 
13484  def __str__(self):
13485  """__str__(CADihedralRestraint self) -> std::string"""
13486  return _IMP_atom.CADihedralRestraint___str__(self)
13487 
13488 
13489  def __repr__(self):
13490  """__repr__(CADihedralRestraint self) -> std::string"""
13491  return _IMP_atom.CADihedralRestraint___repr__(self)
13492 
13493 
13494  @staticmethod
13495  def get_from(o):
13496  return _object_cast_to_CADihedralRestraint(o)
13497 
13498 CADihedralRestraint_swigregister = _IMP_atom.CADihedralRestraint_swigregister
13499 CADihedralRestraint_swigregister(CADihedralRestraint)
13500 
13501 class StructureSource(IMP.Decorator):
13502  """Proxy of C++ IMP::atom::StructureSource class."""
13503 
13504  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13505 
13506  def get_source_id(self):
13507  """get_source_id(StructureSource self) -> std::string"""
13508  return _IMP_atom.StructureSource_get_source_id(self)
13509 
13510 
13511  def get_source_chain_id(self):
13512  """get_source_chain_id(StructureSource self) -> std::string"""
13513  return _IMP_atom.StructureSource_get_source_chain_id(self)
13514 
13515 
13516  def set_source_id(self, source_id):
13517  """set_source_id(StructureSource self, std::string source_id)"""
13518  return _IMP_atom.StructureSource_set_source_id(self, source_id)
13519 
13520 
13521  def set_source_chain_id(self, source_chain_id):
13522  """set_source_chain_id(StructureSource self, std::string source_chain_id)"""
13523  return _IMP_atom.StructureSource_set_source_chain_id(self, source_chain_id)
13524 
13525 
13526  def __init__(self, *args):
13527  """
13528  __init__(IMP::atom::StructureSource self) -> StructureSource
13529  __init__(IMP::atom::StructureSource self, Model m, ParticleIndex id) -> StructureSource
13530  __init__(IMP::atom::StructureSource self, _ParticleAdaptor d) -> StructureSource
13531  """
13532  this = _IMP_atom.new_StructureSource(*args)
13533  try:
13534  self.this.append(this)
13535  except __builtin__.Exception:
13536  self.this = this
13537 
13538  def get_is_setup(*args):
13539  """
13540  get_is_setup(Model m, ParticleIndex pi) -> bool
13541  get_is_setup(_ParticleAdaptor p) -> bool
13542  """
13543  return _IMP_atom.StructureSource_get_is_setup(*args)
13544 
13545  get_is_setup = staticmethod(get_is_setup)
13546 
13547  def show(self, *args):
13548  """
13549  show(StructureSource self, _ostream out)
13550  show(StructureSource self)
13551  """
13552  return _IMP_atom.StructureSource_show(self, *args)
13553 
13554 
13555  def setup_particle(*args):
13556  """
13557  setup_particle(Model m, ParticleIndex pi, std::string source_id, std::string source_chain_id) -> StructureSource
13558  setup_particle(_ParticleAdaptor decorator, std::string source_id, std::string source_chain_id) -> StructureSource
13559  """
13560  return _IMP_atom.StructureSource_setup_particle(*args)
13561 
13562  setup_particle = staticmethod(setup_particle)
13563 
13564  def add_attribute(self, *args):
13565  """
13566  add_attribute(StructureSource self, FloatKey k, IMP::Float v, bool opt)
13567  add_attribute(StructureSource self, FloatKey a0, IMP::Float a1)
13568  add_attribute(StructureSource self, IntKey a0, IMP::Int a1)
13569  add_attribute(StructureSource self, StringKey a0, IMP::String a1)
13570  add_attribute(StructureSource self, ParticleIndexKey a0, Particle a1)
13571  add_attribute(StructureSource self, ObjectKey a0, Object a1)
13572  """
13573  return _IMP_atom.StructureSource_add_attribute(self, *args)
13574 
13575 
13576  def get_value(self, *args):
13577  """
13578  get_value(StructureSource self, FloatKey a0) -> IMP::Float
13579  get_value(StructureSource self, IntKey a0) -> IMP::Int
13580  get_value(StructureSource self, StringKey a0) -> IMP::String
13581  get_value(StructureSource self, ParticleIndexKey a0) -> Particle
13582  get_value(StructureSource self, ObjectKey a0) -> Object
13583  """
13584  return _IMP_atom.StructureSource_get_value(self, *args)
13585 
13586 
13587  def set_value(self, *args):
13588  """
13589  set_value(StructureSource self, FloatKey a0, IMP::Float a1)
13590  set_value(StructureSource self, IntKey a0, IMP::Int a1)
13591  set_value(StructureSource self, StringKey a0, IMP::String a1)
13592  set_value(StructureSource self, ParticleIndexKey a0, Particle a1)
13593  set_value(StructureSource self, ObjectKey a0, Object a1)
13594  """
13595  return _IMP_atom.StructureSource_set_value(self, *args)
13596 
13597 
13598  def remove_attribute(self, *args):
13599  """
13600  remove_attribute(StructureSource self, FloatKey a0)
13601  remove_attribute(StructureSource self, IntKey a0)
13602  remove_attribute(StructureSource self, StringKey a0)
13603  remove_attribute(StructureSource self, ParticleIndexKey a0)
13604  remove_attribute(StructureSource self, ObjectKey a0)
13605  """
13606  return _IMP_atom.StructureSource_remove_attribute(self, *args)
13607 
13608 
13609  def has_attribute(self, *args):
13610  """
13611  has_attribute(StructureSource self, FloatKey a0) -> bool
13612  has_attribute(StructureSource self, IntKey a0) -> bool
13613  has_attribute(StructureSource self, StringKey a0) -> bool
13614  has_attribute(StructureSource self, ParticleIndexKey a0) -> bool
13615  has_attribute(StructureSource self, ObjectKey a0) -> bool
13616  """
13617  return _IMP_atom.StructureSource_has_attribute(self, *args)
13618 
13619 
13620  def get_derivative(self, a0):
13621  """get_derivative(StructureSource self, FloatKey a0) -> double"""
13622  return _IMP_atom.StructureSource_get_derivative(self, a0)
13623 
13624 
13625  def get_name(self):
13626  """get_name(StructureSource self) -> std::string"""
13627  return _IMP_atom.StructureSource_get_name(self)
13628 
13629 
13630  def clear_caches(self):
13631  """clear_caches(StructureSource self)"""
13632  return _IMP_atom.StructureSource_clear_caches(self)
13633 
13634 
13635  def set_name(self, a0):
13636  """set_name(StructureSource self, std::string a0)"""
13637  return _IMP_atom.StructureSource_set_name(self, a0)
13638 
13639 
13640  def set_check_level(self, a0):
13641  """set_check_level(StructureSource self, IMP::CheckLevel a0)"""
13642  return _IMP_atom.StructureSource_set_check_level(self, a0)
13643 
13644 
13645  def add_to_derivative(self, a0, a1, a2):
13646  """add_to_derivative(StructureSource self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
13647  return _IMP_atom.StructureSource_add_to_derivative(self, a0, a1, a2)
13648 
13649 
13650  def set_is_optimized(self, a0, a1):
13651  """set_is_optimized(StructureSource self, FloatKey a0, bool a1)"""
13652  return _IMP_atom.StructureSource_set_is_optimized(self, a0, a1)
13653 
13654 
13655  def get_is_optimized(self, a0):
13656  """get_is_optimized(StructureSource self, FloatKey a0) -> bool"""
13657  return _IMP_atom.StructureSource_get_is_optimized(self, a0)
13658 
13659 
13660  def get_check_level(self):
13661  """get_check_level(StructureSource self) -> IMP::CheckLevel"""
13662  return _IMP_atom.StructureSource_get_check_level(self)
13663 
13664 
13665  def __eq__(self, *args):
13666  """
13667  __eq__(StructureSource self, StructureSource o) -> bool
13668  __eq__(StructureSource self, Particle d) -> bool
13669  """
13670  return _IMP_atom.StructureSource___eq__(self, *args)
13671 
13672 
13673  def __ne__(self, *args):
13674  """
13675  __ne__(StructureSource self, StructureSource o) -> bool
13676  __ne__(StructureSource self, Particle d) -> bool
13677  """
13678  return _IMP_atom.StructureSource___ne__(self, *args)
13679 
13680 
13681  def __le__(self, *args):
13682  """
13683  __le__(StructureSource self, StructureSource o) -> bool
13684  __le__(StructureSource self, Particle d) -> bool
13685  """
13686  return _IMP_atom.StructureSource___le__(self, *args)
13687 
13688 
13689  def __lt__(self, *args):
13690  """
13691  __lt__(StructureSource self, StructureSource o) -> bool
13692  __lt__(StructureSource self, Particle d) -> bool
13693  """
13694  return _IMP_atom.StructureSource___lt__(self, *args)
13695 
13696 
13697  def __ge__(self, *args):
13698  """
13699  __ge__(StructureSource self, StructureSource o) -> bool
13700  __ge__(StructureSource self, Particle d) -> bool
13701  """
13702  return _IMP_atom.StructureSource___ge__(self, *args)
13703 
13704 
13705  def __gt__(self, *args):
13706  """
13707  __gt__(StructureSource self, StructureSource o) -> bool
13708  __gt__(StructureSource self, Particle d) -> bool
13709  """
13710  return _IMP_atom.StructureSource___gt__(self, *args)
13711 
13712 
13713  def __hash__(self):
13714  """__hash__(StructureSource self) -> std::size_t"""
13715  return _IMP_atom.StructureSource___hash__(self)
13716 
13717 
13718  def __str__(self):
13719  """__str__(StructureSource self) -> std::string"""
13720  return _IMP_atom.StructureSource___str__(self)
13721 
13722 
13723  def __repr__(self):
13724  """__repr__(StructureSource self) -> std::string"""
13725  return _IMP_atom.StructureSource___repr__(self)
13726 
13727  __swig_destroy__ = _IMP_atom.delete_StructureSource
13728  __del__ = lambda self: None
13729 StructureSource_swigregister = _IMP_atom.StructureSource_swigregister
13730 StructureSource_swigregister(StructureSource)
13731 
13732 def StructureSource_get_is_setup(*args):
13733  """
13734  get_is_setup(Model m, ParticleIndex pi) -> bool
13735  StructureSource_get_is_setup(_ParticleAdaptor p) -> bool
13736  """
13737  return _IMP_atom.StructureSource_get_is_setup(*args)
13738 
13739 def StructureSource_setup_particle(*args):
13740  """
13741  setup_particle(Model m, ParticleIndex pi, std::string source_id, std::string source_chain_id) -> StructureSource
13742  StructureSource_setup_particle(_ParticleAdaptor decorator, std::string source_id, std::string source_chain_id) -> StructureSource
13743  """
13744  return _IMP_atom.StructureSource_setup_particle(*args)
13745 
13746 
13747 def __lshift__(*args):
13748  """
13749  __lshift__(_ostream out, Bonded n) -> _ostream
13750  __lshift__(_ostream out, Bond n) -> _ostream
13751  __lshift__(_ostream out, Hierarchy n) -> _ostream
13752  __lshift__(_ostream out, Angle n) -> _ostream
13753  __lshift__(_ostream out, Dihedral n) -> _ostream
13754  __lshift__(_ostream out, CenterOfMass n) -> _ostream
13755  __lshift__(_ostream out, Diffusion n) -> _ostream
13756  __lshift__(_ostream out, RigidBodyDiffusion n) -> _ostream
13757  __lshift__(_ostream out, TAMDParticle n) -> _ostream
13758  __lshift__(_ostream out, Chain n) -> _ostream
13759  __lshift__(_ostream out, Charged n) -> _ostream
13760  __lshift__(_ostream out, Domain n) -> _ostream
13761  __lshift__(_ostream out, LennardJones n) -> _ostream
13762  __lshift__(_ostream out, Fragment n) -> _ostream
13763  __lshift__(_ostream out, SecondaryStructureResidue n) -> _ostream
13764  __lshift__(_ostream out, Atom n) -> _ostream
13765  __lshift__(_ostream out, Residue n) -> _ostream
13766  __lshift__(_ostream out, Representation n) -> _ostream
13767  __lshift__(_ostream out, State n) -> _ostream
13768  __lshift__(_ostream out, Molecule n) -> _ostream
13769  __lshift__(_ostream out, Copy n) -> _ostream
13770  __lshift__(_ostream out, StructureSource n) -> _ostream
13771  """
13772  return _IMP_atom.__lshift__(*args)
13773 class HelixRestraint(IMP.Restraint):
13774  """Proxy of C++ IMP::atom::HelixRestraint class."""
13775 
13776  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13777 
13778  def __init__(self, rs, ideal=True):
13779  """
13780  __init__(IMP::atom::HelixRestraint self, IMP::atom::Residues rs, bool ideal=True) -> HelixRestraint
13781  __init__(IMP::atom::HelixRestraint self, IMP::atom::Residues rs) -> HelixRestraint
13782  """
13783  this = _IMP_atom.new_HelixRestraint(rs, ideal)
13784  try:
13785  self.this.append(this)
13786  except __builtin__.Exception:
13787  self.this = this
13788 
13789  def get_number_of_bonds(self):
13790  """get_number_of_bonds(HelixRestraint self) -> int"""
13791  return _IMP_atom.HelixRestraint_get_number_of_bonds(self)
13792 
13793 
13794  def get_number_of_dihedrals(self):
13795  """get_number_of_dihedrals(HelixRestraint self) -> int"""
13796  return _IMP_atom.HelixRestraint_get_number_of_dihedrals(self)
13797 
13798 
13799  def do_get_inputs(self):
13800  """do_get_inputs(HelixRestraint self) -> IMP::ModelObjectsTemp"""
13801  return _IMP_atom.HelixRestraint_do_get_inputs(self)
13802 
13803 
13804  def get_version_info(self):
13805  """get_version_info(HelixRestraint self) -> VersionInfo"""
13806  return _IMP_atom.HelixRestraint_get_version_info(self)
13807 
13808 
13809  def __str__(self):
13810  """__str__(HelixRestraint self) -> std::string"""
13811  return _IMP_atom.HelixRestraint___str__(self)
13812 
13813 
13814  def __repr__(self):
13815  """__repr__(HelixRestraint self) -> std::string"""
13816  return _IMP_atom.HelixRestraint___repr__(self)
13817 
13818 
13819  @staticmethod
13820  def get_from(o):
13821  return _object_cast_to_HelixRestraint(o)
13822 
13823 HelixRestraint_swigregister = _IMP_atom.HelixRestraint_swigregister
13824 HelixRestraint_swigregister(HelixRestraint)
13825 
13826 
13828  """get_transformation_aligning_first_to_second(Selection s1, Selection s2) -> Transformation3D"""
13829  return _IMP_atom.get_transformation_aligning_first_to_second(s1, s2)
13830 
13831 def show_molecular_hierarchy(*args):
13832  """
13833  show_molecular_hierarchy(Hierarchy h, _ostream out) -> _ostream
13834  show_molecular_hierarchy(Hierarchy h) -> _ostream
13835  """
13836  return _IMP_atom.show_molecular_hierarchy(*args)
13837 class CHARMMBond(object):
13838  """Proxy of C++ IMP::atom::CHARMMConnection<(2)> class."""
13839 
13840  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13841  __repr__ = _swig_repr
13842 
13843  def __init__(self, atoms):
13844  """__init__(IMP::atom::CHARMMConnection<(2)> self, IMP::Strings const & atoms) -> CHARMMBond"""
13845  this = _IMP_atom.new_CHARMMBond(atoms)
13846  try:
13847  self.this.append(this)
13848  except __builtin__.Exception:
13849  self.this = this
13850 
13851  def get_endpoint(self, i):
13852  """get_endpoint(CHARMMBond self, unsigned int i) -> CHARMMBondEndpoint"""
13853  return _IMP_atom.CHARMMBond_get_endpoint(self, i)
13854 
13855 
13856  def get_contains_atom(self, name):
13857  """get_contains_atom(CHARMMBond self, std::string name) -> bool"""
13858  return _IMP_atom.CHARMMBond_get_contains_atom(self, name)
13859 
13860 
13861  def show(self, *args):
13862  """
13863  show(CHARMMBond self, _ostream out)
13864  show(CHARMMBond self)
13865  """
13866  return _IMP_atom.CHARMMBond_show(self, *args)
13867 
13868  __swig_destroy__ = _IMP_atom.delete_CHARMMBond
13869  __del__ = lambda self: None
13870 CHARMMBond_swigregister = _IMP_atom.CHARMMBond_swigregister
13871 CHARMMBond_swigregister(CHARMMBond)
13872 
13873 class CHARMMAngle(object):
13874  """Proxy of C++ IMP::atom::CHARMMConnection<(3)> class."""
13875 
13876  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13877  __repr__ = _swig_repr
13878 
13879  def __init__(self, atoms):
13880  """__init__(IMP::atom::CHARMMConnection<(3)> self, IMP::Strings const & atoms) -> CHARMMAngle"""
13881  this = _IMP_atom.new_CHARMMAngle(atoms)
13882  try:
13883  self.this.append(this)
13884  except __builtin__.Exception:
13885  self.this = this
13886 
13887  def get_endpoint(self, i):
13888  """get_endpoint(CHARMMAngle self, unsigned int i) -> CHARMMBondEndpoint"""
13889  return _IMP_atom.CHARMMAngle_get_endpoint(self, i)
13890 
13891 
13892  def get_contains_atom(self, name):
13893  """get_contains_atom(CHARMMAngle self, std::string name) -> bool"""
13894  return _IMP_atom.CHARMMAngle_get_contains_atom(self, name)
13895 
13896 
13897  def show(self, *args):
13898  """
13899  show(CHARMMAngle self, _ostream out)
13900  show(CHARMMAngle self)
13901  """
13902  return _IMP_atom.CHARMMAngle_show(self, *args)
13903 
13904  __swig_destroy__ = _IMP_atom.delete_CHARMMAngle
13905  __del__ = lambda self: None
13906 CHARMMAngle_swigregister = _IMP_atom.CHARMMAngle_swigregister
13907 CHARMMAngle_swigregister(CHARMMAngle)
13908 
13909 
13910 def _get_native_overlap_cpp(m1, m2, threshold):
13911  """_get_native_overlap_cpp(IMP::Vector< IMP::algebra::VectorD< 3 > > const & m1, IMP::Vector< IMP::algebra::VectorD< 3 > > const & m2, double threshold) -> double"""
13912  return _IMP_atom._get_native_overlap_cpp(m1, m2, threshold)
13913 
13914 def _get_drmsd_cpp(m0, m1):
13915  """_get_drmsd_cpp(IMP::Vector< IMP::algebra::VectorD< 3 > > const & m0, IMP::Vector< IMP::algebra::VectorD< 3 > > const & m1) -> double"""
13916  return _IMP_atom._get_drmsd_cpp(m0, m1)
13917 
13918 def _get_drmsd_Q_cpp(m0, m1, threshold):
13919  """_get_drmsd_Q_cpp(IMP::Vector< IMP::algebra::VectorD< 3 > > const & m0, IMP::Vector< IMP::algebra::VectorD< 3 > > const & m1, double threshold) -> double"""
13920  return _IMP_atom._get_drmsd_Q_cpp(m0, m1, threshold)
13921 
13922 def _get_drms_cpp(m1, m2):
13923  """_get_drms_cpp(IMP::Vector< IMP::algebra::VectorD< 3 > > const & m1, IMP::Vector< IMP::algebra::VectorD< 3 > > const & m2) -> double"""
13924  return _IMP_atom._get_drms_cpp(m1, m2)
13925 
13926 def _get_rigid_bodies_drms_cpp(m1, m2, ranges):
13927  """_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"""
13928  return _IMP_atom._get_rigid_bodies_drms_cpp(m1, m2, ranges)
13929 
13930 def get_native_overlap(a, b, d):
13931  va= [IMP.algebra.get_vector(x) for x in a]
13932  vb= [IMP.algebra.get_vector(x) for x in b]
13933  return _get_native_overlap_cpp(va, vb, d)
13934 
13935 def get_drmsd(a, b):
13936  va= [IMP.algebra.get_vector(x) for x in a]
13937  vb= [IMP.algebra.get_vector(x) for x in b]
13938  return _get_drmsd_cpp(va, vb)
13939 
13940 def get_drms(a, b):
13941  va= [IMP.algebra.get_vector(x) for x in a]
13942  vb= [IMP.algebra.get_vector(x) for x in b]
13943  return _get_drms_cpp(va, vb)
13944 
13945 def get_drmsd_Q(a, b, t):
13946  va= [IMP.algebra.get_vector(x) for x in a]
13947  vb= [IMP.algebra.get_vector(x) for x in b]
13948  return _get_drmsd_Q_cpp(va, vb, t)
13949 
13950 def get_rigid_bodies_drms(a, b, ranges):
13951  va= [IMP.algebra.get_vector(x) for x in a]
13952  vb= [IMP.algebra.get_vector(x) for x in b]
13953 #rs = [IMP.IntRange(r[0],r[1]) for r in ranges]
13954  return _get_rigid_bodies_drms_cpp(va, vb, ranges)
13955 
13956 
13957 
13958 def get_module_version():
13959  """get_module_version() -> std::string const"""
13960  return _IMP_atom.get_module_version()
13961 
13962 def get_example_path(fname):
13963  """get_example_path(std::string fname) -> std::string"""
13964  return _IMP_atom.get_example_path(fname)
13965 
13966 def get_data_path(fname):
13967  """get_data_path(std::string fname) -> std::string"""
13968  return _IMP_atom.get_data_path(fname)
13969 
13970 from . import _version_check
13971 _version_check.check_version(get_module_version())
13972 __version__ = get_module_version()
13973 
13974 
13975 
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.
Abstract class for scoring object(s) of type ParticleIndexPair.
Definition: PairScore.h:37
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)
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:81
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:274
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"))
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)
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)
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:163
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)
Hierarchy read_mmcif(TextInput input, Model *model, PDBSelector *selector=get_default_pdb_selector())
Read all the molecules in the first model of the mmCIF file.
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:28
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
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.
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())
void set_check_level(CheckLevel tf)
Control runtime checks in the code.
Definition: exception.h:73
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:54
A decorator for a particle with x,y,z coordinates and a radius.
Definition: XYZR.h:27