IMP  2.4.0
The Integrative Modeling Platform
atom/__init__.py
1 # This file was automatically generated by SWIG (http://www.swig.org).
2 # Version 3.0.2
3 #
4 # Do not make changes to this file unless you know what you are doing--modify
5 # the SWIG interface file instead.
6 
7 
8 
9 
10 
11 from sys import version_info
12 if version_info >= (2,6,0):
13  def swig_import_helper():
14  from os.path import dirname
15  import imp
16  fp = None
17  try:
18  fp, pathname, description = imp.find_module('_IMP_atom', [dirname(__file__)])
19  except ImportError:
20  import _IMP_atom
21  return _IMP_atom
22  if fp is not None:
23  try:
24  _mod = imp.load_module('_IMP_atom', fp, pathname, description)
25  finally:
26  fp.close()
27  return _mod
28  _IMP_atom = swig_import_helper()
29  del swig_import_helper
30 else:
31  import _IMP_atom
32 del version_info
33 try:
34  _swig_property = property
35 except NameError:
36  pass # Python < 2.2 doesn't have 'property'.
37 def _swig_setattr_nondynamic(self,class_type,name,value,static=1):
38  if (name == "thisown"): return self.this.own(value)
39  if (name == "this"):
40  if type(value).__name__ == 'SwigPyObject':
41  self.__dict__[name] = value
42  return
43  method = class_type.__swig_setmethods__.get(name,None)
44  if method: return method(self,value)
45  if (not static):
46  self.__dict__[name] = value
47  else:
48  raise AttributeError("You cannot add attributes to %s" % self)
49 
50 def _swig_setattr(self,class_type,name,value):
51  return _swig_setattr_nondynamic(self,class_type,name,value,0)
52 
53 def _swig_getattr(self,class_type,name):
54  if (name == "thisown"): return self.this.own()
55  method = class_type.__swig_getmethods__.get(name,None)
56  if method: return method(self)
57  raise AttributeError(name)
58 
59 def _swig_repr(self):
60  try: strthis = "proxy of " + self.this.__repr__()
61  except: strthis = ""
62  return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
63 
64 try:
65  _object = object
66  _newclass = 1
67 except AttributeError:
68  class _object : pass
69  _newclass = 0
70 
71 
72 def _swig_setattr_nondynamic_method(set):
73  def set_attr(self,name,value):
74  if (name == "thisown"): return self.this.own(value)
75  if hasattr(self,name) or (name == "this"):
76  set(self,name,value)
77  else:
78  raise AttributeError("You cannot add attributes to %s" % self)
79  return set_attr
80 
81 
82 try:
83  import weakref
84  weakref_proxy = weakref.proxy
85 except:
86  weakref_proxy = lambda x: x
87 
88 
89 class IMP_ATOM_SwigPyIterator(object):
90  """Proxy of C++ swig::IMP_ATOM_SwigPyIterator class"""
91  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
92  def __init__(self, *args, **kwargs): raise AttributeError("No constructor defined - class is abstract")
93  __repr__ = _swig_repr
94  __swig_destroy__ = _IMP_atom.delete_IMP_ATOM_SwigPyIterator
95  __del__ = lambda self : None;
96  def value(self):
97  """value(IMP_ATOM_SwigPyIterator self) -> PyObject *"""
98  return _IMP_atom.IMP_ATOM_SwigPyIterator_value(self)
99 
100  def incr(self, n=1):
101  """
102  incr(IMP_ATOM_SwigPyIterator self, size_t n=1) -> IMP_ATOM_SwigPyIterator
103  incr(IMP_ATOM_SwigPyIterator self) -> IMP_ATOM_SwigPyIterator
104  """
105  return _IMP_atom.IMP_ATOM_SwigPyIterator_incr(self, n)
106 
107  def decr(self, n=1):
108  """
109  decr(IMP_ATOM_SwigPyIterator self, size_t n=1) -> IMP_ATOM_SwigPyIterator
110  decr(IMP_ATOM_SwigPyIterator self) -> IMP_ATOM_SwigPyIterator
111  """
112  return _IMP_atom.IMP_ATOM_SwigPyIterator_decr(self, n)
113 
114  def distance(self, *args):
115  """distance(IMP_ATOM_SwigPyIterator self, IMP_ATOM_SwigPyIterator x) -> ptrdiff_t"""
116  return _IMP_atom.IMP_ATOM_SwigPyIterator_distance(self, *args)
117 
118  def equal(self, *args):
119  """equal(IMP_ATOM_SwigPyIterator self, IMP_ATOM_SwigPyIterator x) -> bool"""
120  return _IMP_atom.IMP_ATOM_SwigPyIterator_equal(self, *args)
121 
122  def copy(self):
123  """copy(IMP_ATOM_SwigPyIterator self) -> IMP_ATOM_SwigPyIterator"""
124  return _IMP_atom.IMP_ATOM_SwigPyIterator_copy(self)
125 
126  def next(self):
127  """next(IMP_ATOM_SwigPyIterator self) -> PyObject *"""
128  return _IMP_atom.IMP_ATOM_SwigPyIterator_next(self)
129 
130  def __next__(self):
131  """__next__(IMP_ATOM_SwigPyIterator self) -> PyObject *"""
132  return _IMP_atom.IMP_ATOM_SwigPyIterator___next__(self)
133 
134  def previous(self):
135  """previous(IMP_ATOM_SwigPyIterator self) -> PyObject *"""
136  return _IMP_atom.IMP_ATOM_SwigPyIterator_previous(self)
137 
138  def advance(self, *args):
139  """advance(IMP_ATOM_SwigPyIterator self, ptrdiff_t n) -> IMP_ATOM_SwigPyIterator"""
140  return _IMP_atom.IMP_ATOM_SwigPyIterator_advance(self, *args)
141 
142  def __eq__(self, *args):
143  """__eq__(IMP_ATOM_SwigPyIterator self, IMP_ATOM_SwigPyIterator x) -> bool"""
144  return _IMP_atom.IMP_ATOM_SwigPyIterator___eq__(self, *args)
145 
146  def __ne__(self, *args):
147  """__ne__(IMP_ATOM_SwigPyIterator self, IMP_ATOM_SwigPyIterator x) -> bool"""
148  return _IMP_atom.IMP_ATOM_SwigPyIterator___ne__(self, *args)
149 
150  def __iadd__(self, *args):
151  """__iadd__(IMP_ATOM_SwigPyIterator self, ptrdiff_t n) -> IMP_ATOM_SwigPyIterator"""
152  return _IMP_atom.IMP_ATOM_SwigPyIterator___iadd__(self, *args)
153 
154  def __isub__(self, *args):
155  """__isub__(IMP_ATOM_SwigPyIterator self, ptrdiff_t n) -> IMP_ATOM_SwigPyIterator"""
156  return _IMP_atom.IMP_ATOM_SwigPyIterator___isub__(self, *args)
157 
158  def __add__(self, *args):
159  """__add__(IMP_ATOM_SwigPyIterator self, ptrdiff_t n) -> IMP_ATOM_SwigPyIterator"""
160  return _IMP_atom.IMP_ATOM_SwigPyIterator___add__(self, *args)
161 
162  def __sub__(self, *args):
163  """
164  __sub__(IMP_ATOM_SwigPyIterator self, ptrdiff_t n) -> IMP_ATOM_SwigPyIterator
165  __sub__(IMP_ATOM_SwigPyIterator self, IMP_ATOM_SwigPyIterator x) -> ptrdiff_t
166  """
167  return _IMP_atom.IMP_ATOM_SwigPyIterator___sub__(self, *args)
168 
169  def __iter__(self): return self
170 IMP_ATOM_SwigPyIterator_swigregister = _IMP_atom.IMP_ATOM_SwigPyIterator_swigregister
171 IMP_ATOM_SwigPyIterator_swigregister(IMP_ATOM_SwigPyIterator)
172 
173 _value_types=[]
174 _object_types=[]
175 _raii_types=[]
176 _plural_types=[]
177 
178 IMP_DEBUG = _IMP_atom.IMP_DEBUG
179 IMP_RELEASE = _IMP_atom.IMP_RELEASE
180 IMP_SILENT = _IMP_atom.IMP_SILENT
181 IMP_PROGRESS = _IMP_atom.IMP_PROGRESS
182 IMP_TERSE = _IMP_atom.IMP_TERSE
183 IMP_VERBOSE = _IMP_atom.IMP_VERBOSE
184 IMP_MEMORY = _IMP_atom.IMP_MEMORY
185 IMP_NONE = _IMP_atom.IMP_NONE
186 IMP_USAGE = _IMP_atom.IMP_USAGE
187 IMP_INTERNAL = _IMP_atom.IMP_INTERNAL
188 IMP_BASE_HAS_LOG4CXX = _IMP_atom.IMP_BASE_HAS_LOG4CXX
189 IMP_COMPILER_HAS_AUTO = _IMP_atom.IMP_COMPILER_HAS_AUTO
190 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_atom.IMP_COMPILER_HAS_DEBUG_VECTOR
191 IMP_BASE_HAS_BOOST_RANDOM = _IMP_atom.IMP_BASE_HAS_BOOST_RANDOM
192 IMP_BASE_HAS_GPERFTOOLS = _IMP_atom.IMP_BASE_HAS_GPERFTOOLS
193 IMP_BASE_HAS_TCMALLOC_HEAPCHECKER = _IMP_atom.IMP_BASE_HAS_TCMALLOC_HEAPCHECKER
194 IMP_BASE_HAS_TCMALLOC_HEAPPROFILER = _IMP_atom.IMP_BASE_HAS_TCMALLOC_HEAPPROFILER
195 IMPBASE_SHOW_WARNINGS = _IMP_atom.IMPBASE_SHOW_WARNINGS
196 import sys
197 class _DirectorObjects(object):
198  """@internal Simple class to keep references to director objects
199  to prevent premature deletion."""
200  def __init__(self):
201  self._objects = []
202  def register(self, obj):
203  """Take a reference to a director object; will only work for
204  refcounted C++ classes"""
205  if hasattr(obj, 'get_ref_count'):
206  self._objects.append(obj)
207  def cleanup(self):
208  """Only drop our reference and allow cleanup by Python if no other
209  Python references exist (we hold 3 references: one in self._objects,
210  one in x, and one in the argument list for getrefcount) *and* no
211  other C++ references exist (the Python object always holds one)"""
212  objs = [x for x in self._objects if sys.getrefcount(x) > 3 \
213  or x.get_ref_count() > 1]
214  # Do in two steps so the references are kept until the end of the
215  # function (deleting references may trigger a fresh call to this method)
216  self._objects = objs
217  def get_object_count(self):
218  """Get number of director objects (useful for testing only)"""
219  return len(self._objects)
220 _director_objects = _DirectorObjects()
221 
222 class _ostream(object):
223  """Proxy of C++ std::ostream class"""
224  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
225  def __init__(self, *args, **kwargs): raise AttributeError("No constructor defined")
226  __repr__ = _swig_repr
227  def write(self, *args):
228  """write(_ostream self, char const * osa_buf)"""
229  return _IMP_atom._ostream_write(self, *args)
230 
231 _ostream_swigregister = _IMP_atom._ostream_swigregister
232 _ostream_swigregister(_ostream)
233 
234 IMP_COMPILER_HAS_OVERRIDE = _IMP_atom.IMP_COMPILER_HAS_OVERRIDE
235 IMP_COMPILER_HAS_FINAL = _IMP_atom.IMP_COMPILER_HAS_FINAL
236 IMP_HAS_NOEXCEPT = _IMP_atom.IMP_HAS_NOEXCEPT
237 import IMP.base
238 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_CGAL_HAS_BOOST_FILESYSTEM
239 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
240 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_atom.IMP_CGAL_HAS_BOOST_RANDOM
241 IMP_CGAL_HAS_BOOST_SYSTEM = _IMP_atom.IMP_CGAL_HAS_BOOST_SYSTEM
242 IMPCGAL_SHOW_WARNINGS = _IMP_atom.IMPCGAL_SHOW_WARNINGS
243 import IMP.cgal
244 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_atom.IMP_ALGEBRA_HAS_IMP_CGAL
245 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
246 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
247 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_atom.IMP_ALGEBRA_HAS_BOOST_RANDOM
248 IMP_ALGEBRA_HAS_BOOST_SYSTEM = _IMP_atom.IMP_ALGEBRA_HAS_BOOST_SYSTEM
249 IMP_ALGEBRA_HAS_CGAL = _IMP_atom.IMP_ALGEBRA_HAS_CGAL
250 IMP_ALGEBRA_HAS_ANN = _IMP_atom.IMP_ALGEBRA_HAS_ANN
251 IMPALGEBRA_SHOW_WARNINGS = _IMP_atom.IMPALGEBRA_SHOW_WARNINGS
252 import IMP.algebra
253 IMP_KERNEL_HAS_IMP_CGAL = _IMP_atom.IMP_KERNEL_HAS_IMP_CGAL
254 IMP_KERNEL_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_KERNEL_HAS_BOOST_PROGRAMOPTIONS
255 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_atom.IMP_KERNEL_HAS_BOOST_RANDOM
256 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_atom.IMP_KERNEL_HAS_BOOST_SYSTEM
257 IMP_KERNEL_HAS_CGAL = _IMP_atom.IMP_KERNEL_HAS_CGAL
258 IMPKERNEL_SHOW_WARNINGS = _IMP_atom.IMPKERNEL_SHOW_WARNINGS
259 import IMP.kernel
260 IMP_DISPLAY_HAS_IMP_BASE = _IMP_atom.IMP_DISPLAY_HAS_IMP_BASE
261 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_atom.IMP_DISPLAY_HAS_IMP_CGAL
262 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
263 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
264 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_atom.IMP_DISPLAY_HAS_BOOST_RANDOM
265 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_atom.IMP_DISPLAY_HAS_BOOST_SYSTEM
266 IMP_DISPLAY_HAS_CGAL = _IMP_atom.IMP_DISPLAY_HAS_CGAL
267 IMPDISPLAY_SHOW_WARNINGS = _IMP_atom.IMPDISPLAY_SHOW_WARNINGS
268 import IMP.display
269 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
270 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
271 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
272 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
273 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
274 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_CGAL
275 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_HDF5
276 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_atom.IMPSCOREFUNCTOR_SHOW_WARNINGS
277 import IMP.score_functor
278 IMP_CORE_HAS_IMP_BASE = _IMP_atom.IMP_CORE_HAS_IMP_BASE
279 IMP_CORE_HAS_IMP_CGAL = _IMP_atom.IMP_CORE_HAS_IMP_CGAL
280 IMP_CORE_HAS_IMP_KERNEL = _IMP_atom.IMP_CORE_HAS_IMP_KERNEL
281 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_CORE_HAS_BOOST_FILESYSTEM
282 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
283 IMP_CORE_HAS_BOOST_RANDOM = _IMP_atom.IMP_CORE_HAS_BOOST_RANDOM
284 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_atom.IMP_CORE_HAS_BOOST_SYSTEM
285 IMP_CORE_HAS_CGAL = _IMP_atom.IMP_CORE_HAS_CGAL
286 IMP_CORE_HAS_HDF5 = _IMP_atom.IMP_CORE_HAS_HDF5
287 IMPCORE_SHOW_WARNINGS = _IMP_atom.IMPCORE_SHOW_WARNINGS
288 import IMP.core
289 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_atom.IMP_CONTAINER_HAS_IMP_ALGEBRA
290 IMP_CONTAINER_HAS_IMP_BASE = _IMP_atom.IMP_CONTAINER_HAS_IMP_BASE
291 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_atom.IMP_CONTAINER_HAS_IMP_CGAL
292 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_atom.IMP_CONTAINER_HAS_IMP_DISPLAY
293 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_atom.IMP_CONTAINER_HAS_IMP_KERNEL
294 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_atom.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
295 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
296 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
297 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_atom.IMP_CONTAINER_HAS_BOOST_RANDOM
298 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_atom.IMP_CONTAINER_HAS_BOOST_SYSTEM
299 IMP_CONTAINER_HAS_CGAL = _IMP_atom.IMP_CONTAINER_HAS_CGAL
300 IMP_CONTAINER_HAS_HDF5 = _IMP_atom.IMP_CONTAINER_HAS_HDF5
301 IMPCONTAINER_SHOW_WARNINGS = _IMP_atom.IMPCONTAINER_SHOW_WARNINGS
302 import IMP.container
303 IMP_ATOM_HAS_IMP_BASE = _IMP_atom.IMP_ATOM_HAS_IMP_BASE
304 IMP_ATOM_HAS_IMP_CGAL = _IMP_atom.IMP_ATOM_HAS_IMP_CGAL
305 IMP_ATOM_HAS_IMP_KERNEL = _IMP_atom.IMP_ATOM_HAS_IMP_KERNEL
306 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_atom.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
307 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
308 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_atom.IMP_ATOM_HAS_BOOST_RANDOM
309 IMP_ATOM_HAS_BOOST_REGEX = _IMP_atom.IMP_ATOM_HAS_BOOST_REGEX
310 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_atom.IMP_ATOM_HAS_BOOST_SYSTEM
311 IMP_ATOM_HAS_CGAL = _IMP_atom.IMP_ATOM_HAS_CGAL
312 IMP_ATOM_HAS_HDF5 = _IMP_atom.IMP_ATOM_HAS_HDF5
313 IMPATOM_SHOW_WARNINGS = _IMP_atom.IMPATOM_SHOW_WARNINGS
314 IMP_ATOM_TYPE_INDEX = _IMP_atom.IMP_ATOM_TYPE_INDEX
315 IMP_RESIDUE_TYPE_INDEX = _IMP_atom.IMP_RESIDUE_TYPE_INDEX
316 IMP_HIERARCHY_TYPE_INDEX = _IMP_atom.IMP_HIERARCHY_TYPE_INDEX
318  """Proxy of C++ IMP::base::internal::BoostDigraph<(IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex)> class"""
319  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
320  __repr__ = _swig_repr
321  def __init__(self):
322  """__init__(IMP::base::internal::BoostDigraph<(IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex)> self) -> HierarchyTree"""
323  this = _IMP_atom.new_HierarchyTree()
324  try: self.this.append(this)
325  except: self.this = this
326  def get_graph(self):
327  """get_graph(HierarchyTree self) -> IMP::atom::HierarchyTree const &"""
328  return _IMP_atom.HierarchyTree_get_graph(self)
329 
330  def get_vertices(self):
331  """get_vertices(HierarchyTree self) -> IMP::base::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptors"""
332  return _IMP_atom.HierarchyTree_get_vertices(self)
333 
334  def get_vertex_name(self, *args):
335  """get_vertex_name(HierarchyTree self, IMP::base::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor i) -> Hierarchy"""
336  return _IMP_atom.HierarchyTree_get_vertex_name(self, *args)
337 
338  def get_in_neighbors(self, *args):
339  """get_in_neighbors(HierarchyTree self, IMP::base::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor v) -> IMP::base::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptors"""
340  return _IMP_atom.HierarchyTree_get_in_neighbors(self, *args)
341 
342  def get_out_neighbors(self, *args):
343  """get_out_neighbors(HierarchyTree self, IMP::base::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor v) -> IMP::base::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptors"""
344  return _IMP_atom.HierarchyTree_get_out_neighbors(self, *args)
345 
346  def show_graphviz(self, *args):
347  """
348  show_graphviz(HierarchyTree self, _ostream out=std::cout)
349  show_graphviz(HierarchyTree self)
350  """
351  return _IMP_atom.HierarchyTree_show_graphviz(self, *args)
352 
353  def get_graphviz_string(self):
354  """get_graphviz_string(HierarchyTree self) -> std::string"""
355  return _IMP_atom.HierarchyTree_get_graphviz_string(self)
356 
357  def add_edge(self, *args):
358  """
359  add_edge(HierarchyTree self, IMP::base::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor v0,
360  IMP::base::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor v1)
361  """
362  return _IMP_atom.HierarchyTree_add_edge(self, *args)
363 
364  def add_vertex(self, *args):
365  """add_vertex(HierarchyTree self, Hierarchy l) -> IMP::base::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor"""
366  return _IMP_atom.HierarchyTree_add_vertex(self, *args)
367 
368  def remove_vertex(self, *args):
369  """remove_vertex(HierarchyTree self, IMP::base::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor l)"""
370  return _IMP_atom.HierarchyTree_remove_vertex(self, *args)
371 
372  __swig_destroy__ = _IMP_atom.delete_HierarchyTree
373  __del__ = lambda self : None;
374 HierarchyTree_swigregister = _IMP_atom.HierarchyTree_swigregister
375 HierarchyTree_swigregister(HierarchyTree)
376 
377 _value_types.append("HierarchyTree")
378 
379 _object_types.append("PDBSelector")
380 
381 
382 def _object_cast_to_PDBSelector(*args):
383  """_object_cast_to_PDBSelector(Object o) -> PDBSelector"""
384  return _IMP_atom._object_cast_to_PDBSelector(*args)
385 def Angles(l=[]):
386  return [Angle(x) for x in l]
387 _plural_types.append("Angles")
388 
389 _value_types.append("Angle")
390 
391 def Atoms(l=[]):
392  return [Atom(x) for x in l]
393 _plural_types.append("Atoms")
394 
395 _value_types.append("Atom")
396 
397 def Bonds(l=[]):
398  return [Bond(x) for x in l]
399 _plural_types.append("Bonds")
400 
401 _value_types.append("Bond")
402 
403 def Bondeds(l=[]):
404  return [Bonded(x) for x in l]
405 _plural_types.append("Bondeds")
406 
407 _value_types.append("Bonded")
408 
409 def CHARMMAtomList(l=[]):
410  return [CHARMMAtom(x) for x in l]
411 _plural_types.append("CHARMMAtomList")
412 
413 _value_types.append("CHARMMAtom")
414 
415 def Chains(l=[]):
416  return [Chain(x) for x in l]
417 _plural_types.append("Chains")
418 
419 _value_types.append("Chain")
420 
421 def CenterOfMasses(l=[]):
422  return [CenterOfMass(x) for x in l]
423 _plural_types.append("CenterOfMasses")
424 
425 _value_types.append("CenterOfMass")
426 
427 def Chargeds(l=[]):
428  return [Charged(x) for x in l]
429 _plural_types.append("Chargeds")
430 
431 _value_types.append("Charged")
432 
433 def Diffusions(l=[]):
434  return [Diffusion(x) for x in l]
435 _plural_types.append("Diffusions")
436 
437 _value_types.append("Diffusion")
438 
439 def RigidBodyDiffusions(l=[]):
440  return [RigidBodyDiffusion(x) for x in l]
441 _plural_types.append("RigidBodyDiffusions")
442 
443 _value_types.append("RigidBodyDiffusion")
444 
445 def Dihedrals(l=[]):
446  return [Dihedral(x) for x in l]
447 _plural_types.append("Dihedrals")
448 
449 _value_types.append("Dihedral")
450 
451 def Domains(l=[]):
452  return [Domain(x) for x in l]
453 _plural_types.append("Domains")
454 
455 _value_types.append("Domain")
456 
457 def Fragments(l=[]):
458  return [Fragment(x) for x in l]
459 _plural_types.append("Fragments")
460 
461 _value_types.append("Fragment")
462 
463 def Hierarchies(l=[]):
464  return [Hierarchy(x) for x in l]
465 _plural_types.append("Hierarchies")
466 
467 _value_types.append("Hierarchy")
468 
469 def LennardJonesList(l=[]):
470  return [LennardJones(x) for x in l]
471 _plural_types.append("LennardJonesList")
472 
473 _value_types.append("LennardJones")
474 
475 def Masses(l=[]):
476  return [Mass(x) for x in l]
477 _plural_types.append("Masses")
478 
479 _value_types.append("Mass")
480 
481 def LinearVelocities(l=[]):
482  return [LinearVelocity(x) for x in l]
483 _plural_types.append("LinearVelocities")
484 
485 _value_types.append("LinearVelocity")
486 
487 def AngularVelocities(l=[]):
488  return [AngularVelocity(x) for x in l]
489 _plural_types.append("AngularVelocities")
490 
491 _value_types.append("AngularVelocity")
492 
493 def Molecules(l=[]):
494  return [Molecule(x) for x in l]
495 _plural_types.append("Molecules")
496 
497 _value_types.append("Molecule")
498 
499 def Residues(l=[]):
500  return [Residue(x) for x in l]
501 _plural_types.append("Residues")
502 
503 _value_types.append("Residue")
504 
505 def Representations(l=[]):
506  return [Representation(x) for x in l]
507 _plural_types.append("Representations")
508 
509 _value_types.append("Representation")
510 
511 def States(l=[]):
512  return [State(x) for x in l]
513 _plural_types.append("States")
514 
515 _value_types.append("State")
516 
517 def Copies(l=[]):
518  return [Copy(x) for x in l]
519 _plural_types.append("Copies")
520 
521 _value_types.append("Copy")
522 
523 def SecondaryStructureResidues(l=[]):
524  return [SecondaryStructureResidue(x) for x in l]
525 _plural_types.append("SecondaryStructureResidues")
526 
527 _value_types.append("SecondaryStructureResidue")
528 
529 _object_types.append("Simulator")
530 
531 
532 def _object_cast_to_Simulator(*args):
533  """_object_cast_to_Simulator(Object o) -> Simulator"""
534  return _IMP_atom._object_cast_to_Simulator(*args)
535 _object_types.append("ATOMPDBSelector")
536 
537 
538 def _object_cast_to_ATOMPDBSelector(*args):
539  """_object_cast_to_ATOMPDBSelector(Object o) -> ATOMPDBSelector"""
540  return _IMP_atom._object_cast_to_ATOMPDBSelector(*args)
541 _object_types.append("AllMol2Selector")
542 
543 
544 def _object_cast_to_AllMol2Selector(*args):
545  """_object_cast_to_AllMol2Selector(Object o) -> AllMol2Selector"""
546  return _IMP_atom._object_cast_to_AllMol2Selector(*args)
547 _object_types.append("AllPDBSelector")
548 
549 
550 def _object_cast_to_AllPDBSelector(*args):
551  """_object_cast_to_AllPDBSelector(Object o) -> AllPDBSelector"""
552  return _IMP_atom._object_cast_to_AllPDBSelector(*args)
553 _object_types.append("AndPDBSelector")
554 
555 
556 def _object_cast_to_AndPDBSelector(*args):
557  """_object_cast_to_AndPDBSelector(Object o) -> AndPDBSelector"""
558  return _IMP_atom._object_cast_to_AndPDBSelector(*args)
559 _object_types.append("AngleSingletonScore")
560 
561 
562 def _object_cast_to_AngleSingletonScore(*args):
563  """_object_cast_to_AngleSingletonScore(Object o) -> AngleSingletonScore"""
564  return _IMP_atom._object_cast_to_AngleSingletonScore(*args)
565 _object_types.append("BondEndpointsRefiner")
566 
567 
568 def _object_cast_to_BondEndpointsRefiner(*args):
569  """_object_cast_to_BondEndpointsRefiner(Object o) -> BondEndpointsRefiner"""
570  return _IMP_atom._object_cast_to_BondEndpointsRefiner(*args)
571 _object_types.append("BondPairContainer")
572 
573 
574 def _object_cast_to_BondPairContainer(*args):
575  """_object_cast_to_BondPairContainer(Object o) -> BondPairContainer"""
576  return _IMP_atom._object_cast_to_BondPairContainer(*args)
577 _object_types.append("BondSingletonScore")
578 
579 
580 def _object_cast_to_BondSingletonScore(*args):
581  """_object_cast_to_BondSingletonScore(Object o) -> BondSingletonScore"""
582  return _IMP_atom._object_cast_to_BondSingletonScore(*args)
583 _object_types.append("BondedPairFilter")
584 
585 
586 def _object_cast_to_BondedPairFilter(*args):
587  """_object_cast_to_BondedPairFilter(Object o) -> BondedPairFilter"""
588  return _IMP_atom._object_cast_to_BondedPairFilter(*args)
589 _object_types.append("BrownianDynamics")
590 
591 
592 def _object_cast_to_BrownianDynamics(*args):
593  """_object_cast_to_BrownianDynamics(Object o) -> BrownianDynamics"""
594  return _IMP_atom._object_cast_to_BrownianDynamics(*args)
595 _object_types.append("CAlphaPDBSelector")
596 
597 
598 def _object_cast_to_CAlphaPDBSelector(*args):
599  """_object_cast_to_CAlphaPDBSelector(Object o) -> CAlphaPDBSelector"""
600  return _IMP_atom._object_cast_to_CAlphaPDBSelector(*args)
601 _object_types.append("CBetaPDBSelector")
602 
603 
604 def _object_cast_to_CBetaPDBSelector(*args):
605  """_object_cast_to_CBetaPDBSelector(Object o) -> CBetaPDBSelector"""
606  return _IMP_atom._object_cast_to_CBetaPDBSelector(*args)
607 _object_types.append("BackbonePDBSelector")
608 
609 
610 def _object_cast_to_BackbonePDBSelector(*args):
611  """_object_cast_to_BackbonePDBSelector(Object o) -> BackbonePDBSelector"""
612  return _IMP_atom._object_cast_to_BackbonePDBSelector(*args)
613 _object_types.append("CHARMMParameters")
614 
615 
616 def _object_cast_to_CHARMMParameters(*args):
617  """_object_cast_to_CHARMMParameters(Object o) -> CHARMMParameters"""
618  return _IMP_atom._object_cast_to_CHARMMParameters(*args)
619 _object_types.append("CHARMMResidueTopology")
620 
621 
622 def _object_cast_to_CHARMMResidueTopology(*args):
623  """_object_cast_to_CHARMMResidueTopology(Object o) -> CHARMMResidueTopology"""
624  return _IMP_atom._object_cast_to_CHARMMResidueTopology(*args)
625 _object_types.append("CHARMMSegmentTopology")
626 
627 
628 def _object_cast_to_CHARMMSegmentTopology(*args):
629  """_object_cast_to_CHARMMSegmentTopology(Object o) -> CHARMMSegmentTopology"""
630  return _IMP_atom._object_cast_to_CHARMMSegmentTopology(*args)
631 _object_types.append("CHARMMStereochemistryRestraint")
632 
633 
634 def _object_cast_to_CHARMMStereochemistryRestraint(*args):
635  """_object_cast_to_CHARMMStereochemistryRestraint(Object o) -> CHARMMStereochemistryRestraint"""
636  return _IMP_atom._object_cast_to_CHARMMStereochemistryRestraint(*args)
637 _object_types.append("CHARMMTopology")
638 
639 
640 def _object_cast_to_CHARMMTopology(*args):
641  """_object_cast_to_CHARMMTopology(Object o) -> CHARMMTopology"""
642  return _IMP_atom._object_cast_to_CHARMMTopology(*args)
643 _object_types.append("CPDBSelector")
644 
645 
646 def _object_cast_to_CPDBSelector(*args):
647  """_object_cast_to_CPDBSelector(Object o) -> CPDBSelector"""
648  return _IMP_atom._object_cast_to_CPDBSelector(*args)
649 _object_types.append("ChainPDBSelector")
650 
651 
652 def _object_cast_to_ChainPDBSelector(*args):
653  """_object_cast_to_ChainPDBSelector(Object o) -> ChainPDBSelector"""
654  return _IMP_atom._object_cast_to_ChainPDBSelector(*args)
655 _object_types.append("CoulombPairScore")
656 
657 
658 def _object_cast_to_CoulombPairScore(*args):
659  """_object_cast_to_CoulombPairScore(Object o) -> CoulombPairScore"""
660  return _IMP_atom._object_cast_to_CoulombPairScore(*args)
661 _object_types.append("CoverBond")
662 
663 
664 def _object_cast_to_CoverBond(*args):
665  """_object_cast_to_CoverBond(Object o) -> CoverBond"""
666  return _IMP_atom._object_cast_to_CoverBond(*args)
667 _object_types.append("DihedralSingletonScore")
668 
669 
670 def _object_cast_to_DihedralSingletonScore(*args):
671  """_object_cast_to_DihedralSingletonScore(Object o) -> DihedralSingletonScore"""
672  return _IMP_atom._object_cast_to_DihedralSingletonScore(*args)
673 _object_types.append("DopePairScore")
674 
675 
676 def _object_cast_to_DopePairScore(*args):
677  """_object_cast_to_DopePairScore(Object o) -> DopePairScore"""
678  return _IMP_atom._object_cast_to_DopePairScore(*args)
679 _object_types.append("OrientedSoapPairScore")
680 
681 
682 def _object_cast_to_OrientedSoapPairScore(*args):
683  """_object_cast_to_OrientedSoapPairScore(Object o) -> OrientedSoapPairScore"""
684  return _IMP_atom._object_cast_to_OrientedSoapPairScore(*args)
685 _object_types.append("EzRestraint")
686 
687 
688 def _object_cast_to_EzRestraint(*args):
689  """_object_cast_to_EzRestraint(Object o) -> EzRestraint"""
690  return _IMP_atom._object_cast_to_EzRestraint(*args)
691 _object_types.append("ForceFieldParameters")
692 
693 
694 def _object_cast_to_ForceFieldParameters(*args):
695  """_object_cast_to_ForceFieldParameters(Object o) -> ForceFieldParameters"""
696  return _IMP_atom._object_cast_to_ForceFieldParameters(*args)
697 _object_types.append("ForceSwitch")
698 
699 
700 def _object_cast_to_ForceSwitch(*args):
701  """_object_cast_to_ForceSwitch(Object o) -> ForceSwitch"""
702  return _IMP_atom._object_cast_to_ForceSwitch(*args)
703 _object_types.append("HydrogenPDBSelector")
704 
705 
706 def _object_cast_to_HydrogenPDBSelector(*args):
707  """_object_cast_to_HydrogenPDBSelector(Object o) -> HydrogenPDBSelector"""
708  return _IMP_atom._object_cast_to_HydrogenPDBSelector(*args)
709 _object_types.append("ImproperSingletonScore")
710 
711 
712 def _object_cast_to_ImproperSingletonScore(*args):
713  """_object_cast_to_ImproperSingletonScore(Object o) -> ImproperSingletonScore"""
714  return _IMP_atom._object_cast_to_ImproperSingletonScore(*args)
715 _object_types.append("LennardJonesPairScore")
716 
717 
718 def _object_cast_to_LennardJonesPairScore(*args):
719  """_object_cast_to_LennardJonesPairScore(Object o) -> LennardJonesPairScore"""
720  return _IMP_atom._object_cast_to_LennardJonesPairScore(*args)
721 _object_types.append("Mol2Selector")
722 
723 
724 def _object_cast_to_Mol2Selector(*args):
725  """_object_cast_to_Mol2Selector(Object o) -> Mol2Selector"""
726  return _IMP_atom._object_cast_to_Mol2Selector(*args)
727 _object_types.append("MolecularDynamics")
728 
729 
730 def _object_cast_to_MolecularDynamics(*args):
731  """_object_cast_to_MolecularDynamics(Object o) -> MolecularDynamics"""
732  return _IMP_atom._object_cast_to_MolecularDynamics(*args)
733 _object_types.append("NPDBSelector")
734 
735 
736 def _object_cast_to_NPDBSelector(*args):
737  """_object_cast_to_NPDBSelector(Object o) -> NPDBSelector"""
738  return _IMP_atom._object_cast_to_NPDBSelector(*args)
739 _object_types.append("NonAlternativePDBSelector")
740 
741 
742 def _object_cast_to_NonAlternativePDBSelector(*args):
743  """_object_cast_to_NonAlternativePDBSelector(Object o) -> NonAlternativePDBSelector"""
744  return _IMP_atom._object_cast_to_NonAlternativePDBSelector(*args)
745 _object_types.append("NonHydrogenMol2Selector")
746 
747 
748 def _object_cast_to_NonHydrogenMol2Selector(*args):
749  """_object_cast_to_NonHydrogenMol2Selector(Object o) -> NonHydrogenMol2Selector"""
750  return _IMP_atom._object_cast_to_NonHydrogenMol2Selector(*args)
751 _object_types.append("NonWaterNonHydrogenPDBSelector")
752 
753 
754 def _object_cast_to_NonWaterNonHydrogenPDBSelector(*args):
755  """_object_cast_to_NonWaterNonHydrogenPDBSelector(Object o) -> NonWaterNonHydrogenPDBSelector"""
756  return _IMP_atom._object_cast_to_NonWaterNonHydrogenPDBSelector(*args)
757 _object_types.append("NonWaterPDBSelector")
758 
759 
760 def _object_cast_to_NonWaterPDBSelector(*args):
761  """_object_cast_to_NonWaterPDBSelector(Object o) -> NonWaterPDBSelector"""
762  return _IMP_atom._object_cast_to_NonWaterPDBSelector(*args)
763 _object_types.append("NotPDBSelector")
764 
765 
766 def _object_cast_to_NotPDBSelector(*args):
767  """_object_cast_to_NotPDBSelector(Object o) -> NotPDBSelector"""
768  return _IMP_atom._object_cast_to_NotPDBSelector(*args)
769 _object_types.append("OrPDBSelector")
770 
771 
772 def _object_cast_to_OrPDBSelector(*args):
773  """_object_cast_to_OrPDBSelector(Object o) -> OrPDBSelector"""
774  return _IMP_atom._object_cast_to_OrPDBSelector(*args)
775 _object_types.append("PPDBSelector")
776 
777 
778 def _object_cast_to_PPDBSelector(*args):
779  """_object_cast_to_PPDBSelector(Object o) -> PPDBSelector"""
780  return _IMP_atom._object_cast_to_PPDBSelector(*args)
781 _object_types.append("ProteinLigandAtomPairScore")
782 
783 
784 def _object_cast_to_ProteinLigandAtomPairScore(*args):
785  """_object_cast_to_ProteinLigandAtomPairScore(Object o) -> ProteinLigandAtomPairScore"""
786  return _IMP_atom._object_cast_to_ProteinLigandAtomPairScore(*args)
787 _object_types.append("ProteinLigandRestraint")
788 
789 
790 def _object_cast_to_ProteinLigandRestraint(*args):
791  """_object_cast_to_ProteinLigandRestraint(Object o) -> ProteinLigandRestraint"""
792  return _IMP_atom._object_cast_to_ProteinLigandRestraint(*args)
793 _object_types.append("SameResiduePairFilter")
794 
795 
796 def _object_cast_to_SameResiduePairFilter(*args):
797  """_object_cast_to_SameResiduePairFilter(Object o) -> SameResiduePairFilter"""
798  return _IMP_atom._object_cast_to_SameResiduePairFilter(*args)
799 _object_types.append("SoapPairFilter")
800 
801 
802 def _object_cast_to_SoapPairFilter(*args):
803  """_object_cast_to_SoapPairFilter(Object o) -> SoapPairFilter"""
804  return _IMP_atom._object_cast_to_SoapPairFilter(*args)
805 _object_types.append("SmoothingFunction")
806 
807 
808 def _object_cast_to_SmoothingFunction(*args):
809  """_object_cast_to_SmoothingFunction(Object o) -> SmoothingFunction"""
810  return _IMP_atom._object_cast_to_SmoothingFunction(*args)
811 _object_types.append("StereochemistryPairFilter")
812 
813 
814 def _object_cast_to_StereochemistryPairFilter(*args):
815  """_object_cast_to_StereochemistryPairFilter(Object o) -> StereochemistryPairFilter"""
816  return _IMP_atom._object_cast_to_StereochemistryPairFilter(*args)
817 _object_types.append("VelocityScalingOptimizerState")
818 
819 
820 def _object_cast_to_VelocityScalingOptimizerState(*args):
821  """_object_cast_to_VelocityScalingOptimizerState(Object o) -> VelocityScalingOptimizerState"""
822  return _IMP_atom._object_cast_to_VelocityScalingOptimizerState(*args)
823 _object_types.append("WaterPDBSelector")
824 
825 
826 def _object_cast_to_WaterPDBSelector(*args):
827  """_object_cast_to_WaterPDBSelector(Object o) -> WaterPDBSelector"""
828  return _IMP_atom._object_cast_to_WaterPDBSelector(*args)
829 _object_types.append("WritePDBOptimizerState")
830 
831 
832 def _object_cast_to_WritePDBOptimizerState(*args):
833  """_object_cast_to_WritePDBOptimizerState(Object o) -> WritePDBOptimizerState"""
834  return _IMP_atom._object_cast_to_WritePDBOptimizerState(*args)
835 AtomTypes=list
836 _plural_types.append("AtomTypes")
837 _value_types.append("AtomType")
838 
839 CHARMMAtomTopologies=list
840 _plural_types.append("CHARMMAtomTopologies")
841 _value_types.append("CHARMMAtomTopology")
842 
843 CHARMMBondEndpoints=list
844 _plural_types.append("CHARMMBondEndpoints")
845 _value_types.append("CHARMMBondEndpoint")
846 
847 CHARMMBondParametersList=list
848 _plural_types.append("CHARMMBondParametersList")
849 _value_types.append("CHARMMBondParameters")
850 
851 CHARMMDihedralParametersList=list
852 _plural_types.append("CHARMMDihedralParametersList")
853 _value_types.append("CHARMMDihedralParameters")
854 
855 _object_types.append("CHARMMIdealResidueTopology")
856 
857 
858 def _object_cast_to_CHARMMIdealResidueTopology(*args):
859  """_object_cast_to_CHARMMIdealResidueTopology(Object o) -> CHARMMIdealResidueTopology"""
860  return _IMP_atom._object_cast_to_CHARMMIdealResidueTopology(*args)
861 CHARMMInternalCoordinates=list
862 _plural_types.append("CHARMMInternalCoordinates")
863 _value_types.append("CHARMMInternalCoordinate")
864 
865 _object_types.append("CHARMMPatch")
866 
867 
868 def _object_cast_to_CHARMMPatch(*args):
869  """_object_cast_to_CHARMMPatch(Object o) -> CHARMMPatch"""
870  return _IMP_atom._object_cast_to_CHARMMPatch(*args)
871 _object_types.append("CHARMMResidueTopologyBase")
872 
873 
874 def _object_cast_to_CHARMMResidueTopologyBase(*args):
875  """_object_cast_to_CHARMMResidueTopologyBase(Object o) -> CHARMMResidueTopologyBase"""
876  return _IMP_atom._object_cast_to_CHARMMResidueTopologyBase(*args)
877 ResidueTypes=list
878 _plural_types.append("ResidueTypes")
879 _value_types.append("ResidueType")
880 
881 Selections=list
882 _plural_types.append("Selections")
883 _value_types.append("Selection")
884 
885 _object_types.append("RemoveRigidMotionOptimizerState")
886 
887 
888 def _object_cast_to_RemoveRigidMotionOptimizerState(*args):
889  """_object_cast_to_RemoveRigidMotionOptimizerState(Object o) -> RemoveRigidMotionOptimizerState"""
890  return _IMP_atom._object_cast_to_RemoveRigidMotionOptimizerState(*args)
891 _object_types.append("BerendsenThermostatOptimizerState")
892 
893 
894 def _object_cast_to_BerendsenThermostatOptimizerState(*args):
895  """_object_cast_to_BerendsenThermostatOptimizerState(Object o) -> BerendsenThermostatOptimizerState"""
896  return _IMP_atom._object_cast_to_BerendsenThermostatOptimizerState(*args)
897 _object_types.append("LangevinThermostatOptimizerState")
898 
899 
900 def _object_cast_to_LangevinThermostatOptimizerState(*args):
901  """_object_cast_to_LangevinThermostatOptimizerState(Object o) -> LangevinThermostatOptimizerState"""
902  return _IMP_atom._object_cast_to_LangevinThermostatOptimizerState(*args)
903 _object_types.append("SelectionGeometry")
904 
905 
906 def _object_cast_to_SelectionGeometry(*args):
907  """_object_cast_to_SelectionGeometry(Object o) -> SelectionGeometry"""
908  return _IMP_atom._object_cast_to_SelectionGeometry(*args)
909 _object_types.append("HierarchyGeometry")
910 
911 
912 def _object_cast_to_HierarchyGeometry(*args):
913  """_object_cast_to_HierarchyGeometry(Object o) -> HierarchyGeometry"""
914  return _IMP_atom._object_cast_to_HierarchyGeometry(*args)
915 _object_types.append("HierarchiesGeometry")
916 
917 
918 def _object_cast_to_HierarchiesGeometry(*args):
919  """_object_cast_to_HierarchiesGeometry(Object o) -> HierarchiesGeometry"""
920  return _IMP_atom._object_cast_to_HierarchiesGeometry(*args)
921 _object_types.append("BondGeometry")
922 
923 
924 def _object_cast_to_BondGeometry(*args):
925  """_object_cast_to_BondGeometry(Object o) -> BondGeometry"""
926  return _IMP_atom._object_cast_to_BondGeometry(*args)
927 _object_types.append("BondsGeometry")
928 
929 
930 def _object_cast_to_BondsGeometry(*args):
931  """_object_cast_to_BondsGeometry(Object o) -> BondsGeometry"""
932  return _IMP_atom._object_cast_to_BondsGeometry(*args)
933 CHARMMDihedrals=list
934 _plural_types.append("CHARMMDihedrals")
935 _value_types.append("CHARMMDihedral")
936 
937 CHARMMBonds=list
938 _plural_types.append("CHARMMBonds")
939 _value_types.append("CHARMMBond")
940 
941 CHARMMAngles=list
942 _plural_types.append("CHARMMAngles")
943 _value_types.append("CHARMMAngle")
944 
945 class Bond(IMP.kernel.Decorator):
946  """Proxy of C++ IMP::atom::Bond class"""
947  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
948  def __init__(self, *args):
949  """
950  __init__(IMP::atom::Bond self) -> Bond
951  __init__(IMP::atom::Bond self, Model m, ::IMP::kernel::ParticleIndex id) -> Bond
952  __init__(IMP::atom::Bond self, _ParticleAdaptor d) -> Bond
953  """
954  this = _IMP_atom.new_Bond(*args)
955  try: self.this.append(this)
956  except: self.this = this
957  def show(self, *args):
958  """
959  show(Bond self, _ostream out=std::cout)
960  show(Bond self)
961  """
962  return _IMP_atom.Bond_show(self, *args)
963 
964  def get_is_setup(*args):
965  """
966  get_is_setup(_ParticleAdaptor p) -> bool
967  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
968  """
969  return _IMP_atom.Bond_get_is_setup(*args)
970 
971  get_is_setup = staticmethod(get_is_setup)
972  UNKNOWN = _IMP_atom.Bond_UNKNOWN
973  NONBIOLOGICAL = _IMP_atom.Bond_NONBIOLOGICAL
974  SINGLE = _IMP_atom.Bond_SINGLE
975  DOUBLE = _IMP_atom.Bond_DOUBLE
976  TRIPLE = _IMP_atom.Bond_TRIPLE
977  HYDROGEN = _IMP_atom.Bond_HYDROGEN
978  SALT = _IMP_atom.Bond_SALT
979  PEPTIDE = _IMP_atom.Bond_PEPTIDE
980  AMIDE = _IMP_atom.Bond_AMIDE
981  AROMATIC = _IMP_atom.Bond_AROMATIC
982  def get_bonded(self, *args):
983  """get_bonded(Bond self, unsigned int i) -> Bonded"""
984  return _IMP_atom.Bond_get_bonded(self, *args)
985 
986  def get_type(self):
987  """get_type(Bond self) -> IMP::Int"""
988  return _IMP_atom.Bond_get_type(self)
989 
990  def set_type(self, *args):
991  """set_type(Bond self, IMP::Int t)"""
992  return _IMP_atom.Bond_set_type(self, *args)
993 
994  def get_order(self):
995  """get_order(Bond self) -> IMP::Int"""
996  return _IMP_atom.Bond_get_order(self)
997 
998  def set_order(self, *args):
999  """set_order(Bond self, IMP::Int t)"""
1000  return _IMP_atom.Bond_set_order(self, *args)
1001 
1002  def get_length(self):
1003  """get_length(Bond self) -> IMP::Float"""
1004  return _IMP_atom.Bond_get_length(self)
1005 
1006  def set_length(self, *args):
1007  """set_length(Bond self, IMP::Float t)"""
1008  return _IMP_atom.Bond_set_length(self, *args)
1009 
1010  def get_stiffness(self):
1011  """get_stiffness(Bond self) -> IMP::Float"""
1012  return _IMP_atom.Bond_get_stiffness(self)
1013 
1014  def set_stiffness(self, *args):
1015  """set_stiffness(Bond self, IMP::Float t)"""
1016  return _IMP_atom.Bond_set_stiffness(self, *args)
1017 
1018  def get_length_key():
1019  """get_length_key() -> FloatKey"""
1020  return _IMP_atom.Bond_get_length_key()
1021 
1022  get_length_key = staticmethod(get_length_key)
1023  def add_attribute(self, *args):
1024  """
1025  add_attribute(Bond self, FloatKey k, IMP::Float v, bool opt)
1026  add_attribute(Bond self, FloatKey a0, IMP::Float a1)
1027  add_attribute(Bond self, IntKey a0, IMP::Int a1)
1028  add_attribute(Bond self, StringKey a0, IMP::String a1)
1029  add_attribute(Bond self, ParticleIndexKey a0, Particle a1)
1030  add_attribute(Bond self, ObjectKey a0, Object a1)
1031  """
1032  return _IMP_atom.Bond_add_attribute(self, *args)
1033 
1034  def get_value(self, *args):
1035  """
1036  get_value(Bond self, FloatKey a0) -> IMP::Float
1037  get_value(Bond self, IntKey a0) -> IMP::Int
1038  get_value(Bond self, StringKey a0) -> IMP::String
1039  get_value(Bond self, ParticleIndexKey a0) -> Particle
1040  get_value(Bond self, ObjectKey a0) -> Object
1041  """
1042  return _IMP_atom.Bond_get_value(self, *args)
1043 
1044  def set_value(self, *args):
1045  """
1046  set_value(Bond self, FloatKey a0, IMP::Float a1)
1047  set_value(Bond self, IntKey a0, IMP::Int a1)
1048  set_value(Bond self, StringKey a0, IMP::String a1)
1049  set_value(Bond self, ParticleIndexKey a0, Particle a1)
1050  set_value(Bond self, ObjectKey a0, Object a1)
1051  """
1052  return _IMP_atom.Bond_set_value(self, *args)
1053 
1054  def remove_attribute(self, *args):
1055  """
1056  remove_attribute(Bond self, FloatKey a0)
1057  remove_attribute(Bond self, IntKey a0)
1058  remove_attribute(Bond self, StringKey a0)
1059  remove_attribute(Bond self, ParticleIndexKey a0)
1060  remove_attribute(Bond self, ObjectKey a0)
1061  """
1062  return _IMP_atom.Bond_remove_attribute(self, *args)
1063 
1064  def has_attribute(self, *args):
1065  """
1066  has_attribute(Bond self, FloatKey a0) -> bool
1067  has_attribute(Bond self, IntKey a0) -> bool
1068  has_attribute(Bond self, StringKey a0) -> bool
1069  has_attribute(Bond self, ParticleIndexKey a0) -> bool
1070  has_attribute(Bond self, ObjectKey a0) -> bool
1071  """
1072  return _IMP_atom.Bond_has_attribute(self, *args)
1073 
1074  def get_derivative(self, *args):
1075  """get_derivative(Bond self, FloatKey a0) -> double"""
1076  return _IMP_atom.Bond_get_derivative(self, *args)
1077 
1078  def get_name(self):
1079  """get_name(Bond self) -> std::string"""
1080  return _IMP_atom.Bond_get_name(self)
1081 
1082  def clear_caches(self):
1083  """clear_caches(Bond self)"""
1084  return _IMP_atom.Bond_clear_caches(self)
1085 
1086  def set_name(self, *args):
1087  """set_name(Bond self, std::string a0)"""
1088  return _IMP_atom.Bond_set_name(self, *args)
1089 
1090  def set_check_level(self, *args):
1091  """set_check_level(Bond self, IMP::base::CheckLevel a0)"""
1092  return _IMP_atom.Bond_set_check_level(self, *args)
1093 
1094  def add_to_derivative(self, *args):
1095  """add_to_derivative(Bond self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1096  return _IMP_atom.Bond_add_to_derivative(self, *args)
1097 
1098  def set_is_optimized(self, *args):
1099  """set_is_optimized(Bond self, FloatKey a0, bool a1)"""
1100  return _IMP_atom.Bond_set_is_optimized(self, *args)
1101 
1102  def get_is_optimized(self, *args):
1103  """get_is_optimized(Bond self, FloatKey a0) -> bool"""
1104  return _IMP_atom.Bond_get_is_optimized(self, *args)
1105 
1106  def get_check_level(self):
1107  """get_check_level(Bond self) -> IMP::base::CheckLevel"""
1108  return _IMP_atom.Bond_get_check_level(self)
1109 
1110  def __eq__(self, *args):
1111  """
1112  __eq__(Bond self, Bond o) -> bool
1113  __eq__(Bond self, Particle d) -> bool
1114  """
1115  return _IMP_atom.Bond___eq__(self, *args)
1116 
1117  def __ne__(self, *args):
1118  """
1119  __ne__(Bond self, Bond o) -> bool
1120  __ne__(Bond self, Particle d) -> bool
1121  """
1122  return _IMP_atom.Bond___ne__(self, *args)
1123 
1124  def __le__(self, *args):
1125  """
1126  __le__(Bond self, Bond o) -> bool
1127  __le__(Bond self, Particle d) -> bool
1128  """
1129  return _IMP_atom.Bond___le__(self, *args)
1130 
1131  def __lt__(self, *args):
1132  """
1133  __lt__(Bond self, Bond o) -> bool
1134  __lt__(Bond self, Particle d) -> bool
1135  """
1136  return _IMP_atom.Bond___lt__(self, *args)
1137 
1138  def __ge__(self, *args):
1139  """
1140  __ge__(Bond self, Bond o) -> bool
1141  __ge__(Bond self, Particle d) -> bool
1142  """
1143  return _IMP_atom.Bond___ge__(self, *args)
1144 
1145  def __gt__(self, *args):
1146  """
1147  __gt__(Bond self, Bond o) -> bool
1148  __gt__(Bond self, Particle d) -> bool
1149  """
1150  return _IMP_atom.Bond___gt__(self, *args)
1151 
1152  def __hash__(self):
1153  """__hash__(Bond self) -> std::size_t"""
1154  return _IMP_atom.Bond___hash__(self)
1155 
1156  def __str__(self):
1157  """__str__(Bond self) -> std::string"""
1158  return _IMP_atom.Bond___str__(self)
1159 
1160  def __repr__(self):
1161  """__repr__(Bond self) -> std::string"""
1162  return _IMP_atom.Bond___repr__(self)
1163 
1164  __swig_destroy__ = _IMP_atom.delete_Bond
1165  __del__ = lambda self : None;
1166 Bond_swigregister = _IMP_atom.Bond_swigregister
1167 Bond_swigregister(Bond)
1168 
1169 def Bond_get_is_setup(*args):
1170  """
1171  get_is_setup(_ParticleAdaptor p) -> bool
1172  Bond_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
1173  """
1174  return _IMP_atom.Bond_get_is_setup(*args)
1175 
1176 def Bond_get_length_key():
1177  """Bond_get_length_key() -> FloatKey"""
1178  return _IMP_atom.Bond_get_length_key()
1179 
1180 class Bonded(IMP.kernel.Decorator):
1181  """Proxy of C++ IMP::atom::Bonded class"""
1182  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1183  def __init__(self, *args):
1184  """
1185  __init__(IMP::atom::Bonded self) -> Bonded
1186  __init__(IMP::atom::Bonded self, Model m, ::IMP::kernel::ParticleIndex id) -> Bonded
1187  __init__(IMP::atom::Bonded self, _ParticleAdaptor d) -> Bonded
1188  """
1189  this = _IMP_atom.new_Bonded(*args)
1190  try: self.this.append(this)
1191  except: self.this = this
1192  def show(self, *args):
1193  """
1194  show(Bonded self, _ostream out=std::cout)
1195  show(Bonded self)
1196  """
1197  return _IMP_atom.Bonded_show(self, *args)
1198 
1199  def setup_particle(*args):
1200  """
1201  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> Bonded
1202  setup_particle(_ParticleAdaptor decorator) -> Bonded
1203  """
1204  return _IMP_atom.Bonded_setup_particle(*args)
1205 
1206  setup_particle = staticmethod(setup_particle)
1207  def get_is_setup(*args):
1208  """
1209  get_is_setup(_ParticleAdaptor p) -> bool
1210  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
1211  """
1212  return _IMP_atom.Bonded_get_is_setup(*args)
1213 
1214  get_is_setup = staticmethod(get_is_setup)
1215  def get_number_of_bonds(self):
1216  """get_number_of_bonds(Bonded self) -> unsigned int"""
1217  return _IMP_atom.Bonded_get_number_of_bonds(self)
1218 
1219  def get_bond_indexes(self):
1220  """get_bond_indexes(Bonded self) -> IMP::kernel::ParticleIndexes"""
1221  return _IMP_atom.Bonded_get_bond_indexes(self)
1222 
1223  def get_bond(self, *args):
1224  """get_bond(Bonded self, unsigned int i) -> Bond"""
1225  return _IMP_atom.Bonded_get_bond(self, *args)
1226 
1227  def get_bonded(self, *args):
1228  """get_bonded(Bonded self, unsigned int i) -> Bonded"""
1229  return _IMP_atom.Bonded_get_bonded(self, *args)
1230 
1231  def add_attribute(self, *args):
1232  """
1233  add_attribute(Bonded self, FloatKey k, IMP::Float v, bool opt)
1234  add_attribute(Bonded self, FloatKey a0, IMP::Float a1)
1235  add_attribute(Bonded self, IntKey a0, IMP::Int a1)
1236  add_attribute(Bonded self, StringKey a0, IMP::String a1)
1237  add_attribute(Bonded self, ParticleIndexKey a0, Particle a1)
1238  add_attribute(Bonded self, ObjectKey a0, Object a1)
1239  """
1240  return _IMP_atom.Bonded_add_attribute(self, *args)
1241 
1242  def get_value(self, *args):
1243  """
1244  get_value(Bonded self, FloatKey a0) -> IMP::Float
1245  get_value(Bonded self, IntKey a0) -> IMP::Int
1246  get_value(Bonded self, StringKey a0) -> IMP::String
1247  get_value(Bonded self, ParticleIndexKey a0) -> Particle
1248  get_value(Bonded self, ObjectKey a0) -> Object
1249  """
1250  return _IMP_atom.Bonded_get_value(self, *args)
1251 
1252  def set_value(self, *args):
1253  """
1254  set_value(Bonded self, FloatKey a0, IMP::Float a1)
1255  set_value(Bonded self, IntKey a0, IMP::Int a1)
1256  set_value(Bonded self, StringKey a0, IMP::String a1)
1257  set_value(Bonded self, ParticleIndexKey a0, Particle a1)
1258  set_value(Bonded self, ObjectKey a0, Object a1)
1259  """
1260  return _IMP_atom.Bonded_set_value(self, *args)
1261 
1262  def remove_attribute(self, *args):
1263  """
1264  remove_attribute(Bonded self, FloatKey a0)
1265  remove_attribute(Bonded self, IntKey a0)
1266  remove_attribute(Bonded self, StringKey a0)
1267  remove_attribute(Bonded self, ParticleIndexKey a0)
1268  remove_attribute(Bonded self, ObjectKey a0)
1269  """
1270  return _IMP_atom.Bonded_remove_attribute(self, *args)
1271 
1272  def has_attribute(self, *args):
1273  """
1274  has_attribute(Bonded self, FloatKey a0) -> bool
1275  has_attribute(Bonded self, IntKey a0) -> bool
1276  has_attribute(Bonded self, StringKey a0) -> bool
1277  has_attribute(Bonded self, ParticleIndexKey a0) -> bool
1278  has_attribute(Bonded self, ObjectKey a0) -> bool
1279  """
1280  return _IMP_atom.Bonded_has_attribute(self, *args)
1281 
1282  def get_derivative(self, *args):
1283  """get_derivative(Bonded self, FloatKey a0) -> double"""
1284  return _IMP_atom.Bonded_get_derivative(self, *args)
1285 
1286  def get_name(self):
1287  """get_name(Bonded self) -> std::string"""
1288  return _IMP_atom.Bonded_get_name(self)
1289 
1290  def clear_caches(self):
1291  """clear_caches(Bonded self)"""
1292  return _IMP_atom.Bonded_clear_caches(self)
1293 
1294  def set_name(self, *args):
1295  """set_name(Bonded self, std::string a0)"""
1296  return _IMP_atom.Bonded_set_name(self, *args)
1297 
1298  def set_check_level(self, *args):
1299  """set_check_level(Bonded self, IMP::base::CheckLevel a0)"""
1300  return _IMP_atom.Bonded_set_check_level(self, *args)
1301 
1302  def add_to_derivative(self, *args):
1303  """add_to_derivative(Bonded self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1304  return _IMP_atom.Bonded_add_to_derivative(self, *args)
1305 
1306  def set_is_optimized(self, *args):
1307  """set_is_optimized(Bonded self, FloatKey a0, bool a1)"""
1308  return _IMP_atom.Bonded_set_is_optimized(self, *args)
1309 
1310  def get_is_optimized(self, *args):
1311  """get_is_optimized(Bonded self, FloatKey a0) -> bool"""
1312  return _IMP_atom.Bonded_get_is_optimized(self, *args)
1313 
1314  def get_check_level(self):
1315  """get_check_level(Bonded self) -> IMP::base::CheckLevel"""
1316  return _IMP_atom.Bonded_get_check_level(self)
1317 
1318  def __eq__(self, *args):
1319  """
1320  __eq__(Bonded self, Bonded o) -> bool
1321  __eq__(Bonded self, Particle d) -> bool
1322  """
1323  return _IMP_atom.Bonded___eq__(self, *args)
1324 
1325  def __ne__(self, *args):
1326  """
1327  __ne__(Bonded self, Bonded o) -> bool
1328  __ne__(Bonded self, Particle d) -> bool
1329  """
1330  return _IMP_atom.Bonded___ne__(self, *args)
1331 
1332  def __le__(self, *args):
1333  """
1334  __le__(Bonded self, Bonded o) -> bool
1335  __le__(Bonded self, Particle d) -> bool
1336  """
1337  return _IMP_atom.Bonded___le__(self, *args)
1338 
1339  def __lt__(self, *args):
1340  """
1341  __lt__(Bonded self, Bonded o) -> bool
1342  __lt__(Bonded self, Particle d) -> bool
1343  """
1344  return _IMP_atom.Bonded___lt__(self, *args)
1345 
1346  def __ge__(self, *args):
1347  """
1348  __ge__(Bonded self, Bonded o) -> bool
1349  __ge__(Bonded self, Particle d) -> bool
1350  """
1351  return _IMP_atom.Bonded___ge__(self, *args)
1352 
1353  def __gt__(self, *args):
1354  """
1355  __gt__(Bonded self, Bonded o) -> bool
1356  __gt__(Bonded self, Particle d) -> bool
1357  """
1358  return _IMP_atom.Bonded___gt__(self, *args)
1359 
1360  def __hash__(self):
1361  """__hash__(Bonded self) -> std::size_t"""
1362  return _IMP_atom.Bonded___hash__(self)
1363 
1364  def __str__(self):
1365  """__str__(Bonded self) -> std::string"""
1366  return _IMP_atom.Bonded___str__(self)
1367 
1368  def __repr__(self):
1369  """__repr__(Bonded self) -> std::string"""
1370  return _IMP_atom.Bonded___repr__(self)
1371 
1372  __swig_destroy__ = _IMP_atom.delete_Bonded
1373  __del__ = lambda self : None;
1374 Bonded_swigregister = _IMP_atom.Bonded_swigregister
1375 Bonded_swigregister(Bonded)
1376 
1377 def Bonded_setup_particle(*args):
1378  """
1379  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> Bonded
1380  Bonded_setup_particle(_ParticleAdaptor decorator) -> Bonded
1381  """
1382  return _IMP_atom.Bonded_setup_particle(*args)
1383 
1384 def Bonded_get_is_setup(*args):
1385  """
1386  get_is_setup(_ParticleAdaptor p) -> bool
1387  Bonded_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
1388  """
1389  return _IMP_atom.Bonded_get_is_setup(*args)
1390 
1391 
1392 def create_custom_bond(*args):
1393  """
1394  create_custom_bond(Bonded a, Bonded b, IMP::Float length, IMP::Float stiffness=-1) -> Bond
1395  create_custom_bond(Bonded a, Bonded b, IMP::Float length) -> Bond
1396  """
1397  return _IMP_atom.create_custom_bond(*args)
1398 
1399 def create_bond(*args):
1400  """
1401  create_bond(Bonded a, Bonded b, IMP::Int t) -> Bond
1402  create_bond(Bonded a, Bonded b, Bond o) -> Bond
1403  """
1404  return _IMP_atom.create_bond(*args)
1405 
1406 def destroy_bond(*args):
1407  """destroy_bond(Bond b)"""
1408  return _IMP_atom.destroy_bond(*args)
1409 
1410 def get_bond(*args):
1411  """get_bond(Bonded a, Bonded b) -> Bond"""
1412  return _IMP_atom.get_bond(*args)
1413 class BondGeometry(IMP.display.SingletonGeometry):
1414  """Proxy of C++ IMP::atom::BondGeometry class"""
1415  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1416  def __init__(self, *args):
1417  """
1418  __init__(IMP::atom::BondGeometry self, Particle p) -> BondGeometry
1419  __init__(IMP::atom::BondGeometry self, Bond d) -> BondGeometry
1420  """
1421  this = _IMP_atom.new_BondGeometry(*args)
1422  try: self.this.append(this)
1423  except: self.this = this
1424  def get_version_info(self):
1425  """get_version_info(BondGeometry self) -> VersionInfo"""
1426  return _IMP_atom.BondGeometry_get_version_info(self)
1427 
1428  def __str__(self):
1429  """__str__(BondGeometry self) -> std::string"""
1430  return _IMP_atom.BondGeometry___str__(self)
1431 
1432  def __repr__(self):
1433  """__repr__(BondGeometry self) -> std::string"""
1434  return _IMP_atom.BondGeometry___repr__(self)
1435 
1436  def get_from(o):
1437  return _object_cast_to_BondGeometry(o)
1438  get_from = staticmethod(get_from)
1439 
1440 BondGeometry_swigregister = _IMP_atom.BondGeometry_swigregister
1441 BondGeometry_swigregister(BondGeometry)
1442 
1443 class BondsGeometry(IMP.display.SingletonsGeometry):
1444  """Proxy of C++ IMP::atom::BondsGeometry class"""
1445  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1446  def __init__(self, *args):
1447  """__init__(IMP::atom::BondsGeometry self, SingletonContainer sc) -> BondsGeometry"""
1448  this = _IMP_atom.new_BondsGeometry(*args)
1449  try: self.this.append(this)
1450  except: self.this = this
1451  def get_version_info(self):
1452  """get_version_info(BondsGeometry self) -> VersionInfo"""
1453  return _IMP_atom.BondsGeometry_get_version_info(self)
1454 
1455  def __str__(self):
1456  """__str__(BondsGeometry self) -> std::string"""
1457  return _IMP_atom.BondsGeometry___str__(self)
1458 
1459  def __repr__(self):
1460  """__repr__(BondsGeometry self) -> std::string"""
1461  return _IMP_atom.BondsGeometry___repr__(self)
1462 
1463  def get_from(o):
1464  return _object_cast_to_BondsGeometry(o)
1465  get_from = staticmethod(get_from)
1466 
1467 BondsGeometry_swigregister = _IMP_atom.BondsGeometry_swigregister
1468 BondsGeometry_swigregister(BondsGeometry)
1469 
1470 class Hierarchy(IMP.core.Hierarchy):
1471  """Proxy of C++ IMP::atom::Hierarchy class"""
1472  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1473  def decorate_particle(*args):
1474  """decorate_particle(Particle p) -> Hierarchy"""
1475  return _IMP_atom.Hierarchy_decorate_particle(*args)
1476 
1477  decorate_particle = staticmethod(decorate_particle)
1478  def particle_is_instance(*args):
1479  """
1480  particle_is_instance(Particle p) -> bool
1481  particle_is_instance(Model m, IMP::kernel::ParticleIndex p) -> bool
1482  """
1483  return _IMP_atom.Hierarchy_particle_is_instance(*args)
1484 
1485  particle_is_instance = staticmethod(particle_is_instance)
1486  def __init__(self, *args):
1487  """
1488  __init__(IMP::atom::Hierarchy self, Model m, IMP::kernel::ParticleIndex pi) -> Hierarchy
1489  __init__(IMP::atom::Hierarchy self, _ParticleAdaptor pi) -> Hierarchy
1490  __init__(IMP::atom::Hierarchy self) -> Hierarchy
1491  __init__(IMP::atom::Hierarchy self, Hierarchy h) -> Hierarchy
1492  """
1493  this = _IMP_atom.new_Hierarchy(*args)
1494  try: self.this.append(this)
1495  except: self.this = this
1496  def setup_particle(*args):
1497  """
1498  setup_particle(Particle p, _ParticleIndexesAdaptor children) -> Hierarchy
1499  setup_particle(Particle p) -> Hierarchy
1500  setup_particle(Model m, IMP::kernel::ParticleIndex pi, _ParticleIndexesAdaptor children=IMP::kernel::ParticleIndexesAdaptor()) -> Hierarchy
1501  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> Hierarchy
1502  """
1503  return _IMP_atom.Hierarchy_setup_particle(*args)
1504 
1505  setup_particle = staticmethod(setup_particle)
1506  def get_is_setup(*args):
1507  """
1508  get_is_setup(Particle p) -> bool
1509  get_is_setup(Model m, IMP::kernel::ParticleIndex p) -> bool
1510  """
1511  return _IMP_atom.Hierarchy_get_is_setup(*args)
1512 
1513  get_is_setup = staticmethod(get_is_setup)
1514  def get_is_valid(self, *args):
1515  """get_is_valid(Hierarchy self, bool print_info) -> bool"""
1516  return _IMP_atom.Hierarchy_get_is_valid(self, *args)
1517 
1518  def add_child(self, *args):
1519  """add_child(Hierarchy self, Hierarchy o)"""
1520  return _IMP_atom.Hierarchy_add_child(self, *args)
1521 
1522  def get_child(self, *args):
1523  """get_child(Hierarchy self, unsigned int i) -> Hierarchy"""
1524  return _IMP_atom.Hierarchy_get_child(self, *args)
1525 
1526  def get_children(self):
1527  """get_children(Hierarchy self) -> IMP::atom::Hierarchies"""
1528  return _IMP_atom.Hierarchy_get_children(self)
1529 
1530  def get_parent(self):
1531  """get_parent(Hierarchy self) -> Hierarchy"""
1532  return _IMP_atom.Hierarchy_get_parent(self)
1533 
1534  def get_as_atom(self):
1535  """get_as_atom(Hierarchy self) -> Atom"""
1536  return _IMP_atom.Hierarchy_get_as_atom(self)
1537 
1538  def get_as_residue(self):
1539  """get_as_residue(Hierarchy self) -> Residue"""
1540  return _IMP_atom.Hierarchy_get_as_residue(self)
1541 
1542  def get_as_chain(self):
1543  """get_as_chain(Hierarchy self) -> Chain"""
1544  return _IMP_atom.Hierarchy_get_as_chain(self)
1545 
1546  def get_as_molecule(self):
1547  """get_as_molecule(Hierarchy self) -> Molecule"""
1548  return _IMP_atom.Hierarchy_get_as_molecule(self)
1549 
1550  def get_as_domain(self):
1551  """get_as_domain(Hierarchy self) -> Domain"""
1552  return _IMP_atom.Hierarchy_get_as_domain(self)
1553 
1554  def get_as_fragment(self):
1555  """get_as_fragment(Hierarchy self) -> Fragment"""
1556  return _IMP_atom.Hierarchy_get_as_fragment(self)
1557 
1558  def get_as_xyz(self):
1559  """get_as_xyz(Hierarchy self) -> XYZ"""
1560  return _IMP_atom.Hierarchy_get_as_xyz(self)
1561 
1562  def get_as_xyzr(self):
1563  """get_as_xyzr(Hierarchy self) -> XYZR"""
1564  return _IMP_atom.Hierarchy_get_as_xyzr(self)
1565 
1566  def get_as_mass(self):
1567  """get_as_mass(Hierarchy self) -> Mass"""
1568  return _IMP_atom.Hierarchy_get_as_mass(self)
1569 
1570  def get_as_state(self):
1571  """get_as_state(Hierarchy self) -> State"""
1572  return _IMP_atom.Hierarchy_get_as_state(self)
1573 
1574  def get_traits():
1575  """get_traits() -> HierarchyTraits"""
1576  return _IMP_atom.Hierarchy_get_traits()
1577 
1578  get_traits = staticmethod(get_traits)
1579  def show(self, *args):
1580  """
1581  show(Hierarchy self, _ostream out, std::string delimiter)
1582  show(Hierarchy self, _ostream out=std::cout)
1583  show(Hierarchy self)
1584  """
1585  return _IMP_atom.Hierarchy_show(self, *args)
1586 
1587  def add_attribute(self, *args):
1588  """
1589  add_attribute(Hierarchy self, FloatKey k, IMP::Float v, bool opt)
1590  add_attribute(Hierarchy self, FloatKey a0, IMP::Float a1)
1591  add_attribute(Hierarchy self, IntKey a0, IMP::Int a1)
1592  add_attribute(Hierarchy self, StringKey a0, IMP::String a1)
1593  add_attribute(Hierarchy self, ParticleIndexKey a0, Particle a1)
1594  add_attribute(Hierarchy self, ObjectKey a0, Object a1)
1595  """
1596  return _IMP_atom.Hierarchy_add_attribute(self, *args)
1597 
1598  def get_value(self, *args):
1599  """
1600  get_value(Hierarchy self, FloatKey a0) -> IMP::Float
1601  get_value(Hierarchy self, IntKey a0) -> IMP::Int
1602  get_value(Hierarchy self, StringKey a0) -> IMP::String
1603  get_value(Hierarchy self, ParticleIndexKey a0) -> Particle
1604  get_value(Hierarchy self, ObjectKey a0) -> Object
1605  """
1606  return _IMP_atom.Hierarchy_get_value(self, *args)
1607 
1608  def set_value(self, *args):
1609  """
1610  set_value(Hierarchy self, FloatKey a0, IMP::Float a1)
1611  set_value(Hierarchy self, IntKey a0, IMP::Int a1)
1612  set_value(Hierarchy self, StringKey a0, IMP::String a1)
1613  set_value(Hierarchy self, ParticleIndexKey a0, Particle a1)
1614  set_value(Hierarchy self, ObjectKey a0, Object a1)
1615  """
1616  return _IMP_atom.Hierarchy_set_value(self, *args)
1617 
1618  def remove_attribute(self, *args):
1619  """
1620  remove_attribute(Hierarchy self, FloatKey a0)
1621  remove_attribute(Hierarchy self, IntKey a0)
1622  remove_attribute(Hierarchy self, StringKey a0)
1623  remove_attribute(Hierarchy self, ParticleIndexKey a0)
1624  remove_attribute(Hierarchy self, ObjectKey a0)
1625  """
1626  return _IMP_atom.Hierarchy_remove_attribute(self, *args)
1627 
1628  def has_attribute(self, *args):
1629  """
1630  has_attribute(Hierarchy self, FloatKey a0) -> bool
1631  has_attribute(Hierarchy self, IntKey a0) -> bool
1632  has_attribute(Hierarchy self, StringKey a0) -> bool
1633  has_attribute(Hierarchy self, ParticleIndexKey a0) -> bool
1634  has_attribute(Hierarchy self, ObjectKey a0) -> bool
1635  """
1636  return _IMP_atom.Hierarchy_has_attribute(self, *args)
1637 
1638  def get_derivative(self, *args):
1639  """get_derivative(Hierarchy self, FloatKey a0) -> double"""
1640  return _IMP_atom.Hierarchy_get_derivative(self, *args)
1641 
1642  def get_name(self):
1643  """get_name(Hierarchy self) -> std::string"""
1644  return _IMP_atom.Hierarchy_get_name(self)
1645 
1646  def clear_caches(self):
1647  """clear_caches(Hierarchy self)"""
1648  return _IMP_atom.Hierarchy_clear_caches(self)
1649 
1650  def set_name(self, *args):
1651  """set_name(Hierarchy self, std::string a0)"""
1652  return _IMP_atom.Hierarchy_set_name(self, *args)
1653 
1654  def set_check_level(self, *args):
1655  """set_check_level(Hierarchy self, IMP::base::CheckLevel a0)"""
1656  return _IMP_atom.Hierarchy_set_check_level(self, *args)
1657 
1658  def add_to_derivative(self, *args):
1659  """add_to_derivative(Hierarchy self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1660  return _IMP_atom.Hierarchy_add_to_derivative(self, *args)
1661 
1662  def set_is_optimized(self, *args):
1663  """set_is_optimized(Hierarchy self, FloatKey a0, bool a1)"""
1664  return _IMP_atom.Hierarchy_set_is_optimized(self, *args)
1665 
1666  def get_is_optimized(self, *args):
1667  """get_is_optimized(Hierarchy self, FloatKey a0) -> bool"""
1668  return _IMP_atom.Hierarchy_get_is_optimized(self, *args)
1669 
1670  def get_check_level(self):
1671  """get_check_level(Hierarchy self) -> IMP::base::CheckLevel"""
1672  return _IMP_atom.Hierarchy_get_check_level(self)
1673 
1674  def __eq__(self, *args):
1675  """
1676  __eq__(Hierarchy self, Hierarchy o) -> bool
1677  __eq__(Hierarchy self, Particle d) -> bool
1678  """
1679  return _IMP_atom.Hierarchy___eq__(self, *args)
1680 
1681  def __ne__(self, *args):
1682  """
1683  __ne__(Hierarchy self, Hierarchy o) -> bool
1684  __ne__(Hierarchy self, Particle d) -> bool
1685  """
1686  return _IMP_atom.Hierarchy___ne__(self, *args)
1687 
1688  def __le__(self, *args):
1689  """
1690  __le__(Hierarchy self, Hierarchy o) -> bool
1691  __le__(Hierarchy self, Particle d) -> bool
1692  """
1693  return _IMP_atom.Hierarchy___le__(self, *args)
1694 
1695  def __lt__(self, *args):
1696  """
1697  __lt__(Hierarchy self, Hierarchy o) -> bool
1698  __lt__(Hierarchy self, Particle d) -> bool
1699  """
1700  return _IMP_atom.Hierarchy___lt__(self, *args)
1701 
1702  def __ge__(self, *args):
1703  """
1704  __ge__(Hierarchy self, Hierarchy o) -> bool
1705  __ge__(Hierarchy self, Particle d) -> bool
1706  """
1707  return _IMP_atom.Hierarchy___ge__(self, *args)
1708 
1709  def __gt__(self, *args):
1710  """
1711  __gt__(Hierarchy self, Hierarchy o) -> bool
1712  __gt__(Hierarchy self, Particle d) -> bool
1713  """
1714  return _IMP_atom.Hierarchy___gt__(self, *args)
1715 
1716  def __hash__(self):
1717  """__hash__(Hierarchy self) -> std::size_t"""
1718  return _IMP_atom.Hierarchy___hash__(self)
1719 
1720  def __str__(self):
1721  """__str__(Hierarchy self) -> std::string"""
1722  return _IMP_atom.Hierarchy___str__(self)
1723 
1724  def __repr__(self):
1725  """__repr__(Hierarchy self) -> std::string"""
1726  return _IMP_atom.Hierarchy___repr__(self)
1727 
1728  __swig_destroy__ = _IMP_atom.delete_Hierarchy
1729  __del__ = lambda self : None;
1730 Hierarchy_swigregister = _IMP_atom.Hierarchy_swigregister
1731 Hierarchy_swigregister(Hierarchy)
1732 
1733 def Hierarchy_decorate_particle(*args):
1734  """Hierarchy_decorate_particle(Particle p) -> Hierarchy"""
1735  return _IMP_atom.Hierarchy_decorate_particle(*args)
1736 
1737 def Hierarchy_particle_is_instance(*args):
1738  """
1739  particle_is_instance(Particle p) -> bool
1740  Hierarchy_particle_is_instance(Model m, IMP::kernel::ParticleIndex p) -> bool
1741  """
1742  return _IMP_atom.Hierarchy_particle_is_instance(*args)
1743 
1744 def Hierarchy_setup_particle(*args):
1745  """
1746  setup_particle(Particle p, _ParticleIndexesAdaptor children) -> Hierarchy
1747  setup_particle(Particle p) -> Hierarchy
1748  setup_particle(Model m, IMP::kernel::ParticleIndex pi, _ParticleIndexesAdaptor children=IMP::kernel::ParticleIndexesAdaptor()) -> Hierarchy
1749  Hierarchy_setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> Hierarchy
1750  """
1751  return _IMP_atom.Hierarchy_setup_particle(*args)
1752 
1753 def Hierarchy_get_is_setup(*args):
1754  """
1755  get_is_setup(Particle p) -> bool
1756  Hierarchy_get_is_setup(Model m, IMP::kernel::ParticleIndex p) -> bool
1757  """
1758  return _IMP_atom.Hierarchy_get_is_setup(*args)
1759 
1760 def Hierarchy_get_traits():
1761  """Hierarchy_get_traits() -> HierarchyTraits"""
1762  return _IMP_atom.Hierarchy_get_traits()
1763 
1764 ATOM_TYPE = _IMP_atom.ATOM_TYPE
1765 RESIDUE_TYPE = _IMP_atom.RESIDUE_TYPE
1766 CHAIN_TYPE = _IMP_atom.CHAIN_TYPE
1767 MOLECULE_TYPE = _IMP_atom.MOLECULE_TYPE
1768 DOMAIN_TYPE = _IMP_atom.DOMAIN_TYPE
1769 FRAGMENT_TYPE = _IMP_atom.FRAGMENT_TYPE
1770 XYZ_TYPE = _IMP_atom.XYZ_TYPE
1771 XYZR_TYPE = _IMP_atom.XYZR_TYPE
1772 MASS_TYPE = _IMP_atom.MASS_TYPE
1773 STATE_TYPE = _IMP_atom.STATE_TYPE
1774 
1775 def get_by_type(*args):
1776  """get_by_type(Hierarchy mhd, IMP::atom::GetByType t) -> IMP::atom::Hierarchies"""
1777  return _IMP_atom.get_by_type(*args)
1778 
1779 def create_fragment(*args):
1780  """create_fragment(IMP::atom::Hierarchies const & ps) -> Hierarchy"""
1781  return _IMP_atom.create_fragment(*args)
1782 
1783 def get_internal_bonds(*args):
1784  """get_internal_bonds(Hierarchy mhd) -> IMP::atom::Bonds"""
1785  return _IMP_atom.get_internal_bonds(*args)
1786 
1787 def get_root(*args):
1788  """get_root(Hierarchy h) -> Hierarchy"""
1789  return _IMP_atom.get_root(*args)
1790 
1791 def show(*args):
1792  """
1793  show(Hierarchy h, _ostream out=std::cout)
1794  show(Hierarchy h)
1795  """
1796  return _IMP_atom.show(*args)
1797 
1798 def create_rigid_body(*args):
1799  """
1800  create_rigid_body(IMP::atom::Hierarchies const & h, std::string name=std::string("created rigid body")) -> RigidBody
1801  create_rigid_body(IMP::atom::Hierarchies const & h) -> RigidBody
1802  create_rigid_body(Hierarchy h) -> RigidBody
1803  """
1804  return _IMP_atom.create_rigid_body(*args)
1805 
1806 def create_compatible_rigid_body(*args):
1807  """create_compatible_rigid_body(Hierarchy h, Hierarchy reference) -> RigidBody"""
1808  return _IMP_atom.create_compatible_rigid_body(*args)
1809 
1810 def setup_as_rigid_body(*args):
1811  """setup_as_rigid_body(Hierarchy h) -> RigidBody"""
1812  return _IMP_atom.setup_as_rigid_body(*args)
1813 
1814 def get_is_heterogen(*args):
1815  """get_is_heterogen(Hierarchy h) -> bool"""
1816  return _IMP_atom.get_is_heterogen(*args)
1817 
1818 def create_clone(*args):
1819  """create_clone(Hierarchy d) -> Hierarchy"""
1820  return _IMP_atom.create_clone(*args)
1821 
1822 def create_clone_one(*args):
1823  """create_clone_one(Hierarchy d) -> Hierarchy"""
1824  return _IMP_atom.create_clone_one(*args)
1825 
1826 def destroy(*args):
1827  """destroy(Hierarchy d)"""
1828  return _IMP_atom.destroy(*args)
1829 
1830 def get_bounding_box(*args):
1831  """get_bounding_box(Hierarchy h) -> BoundingBox3D"""
1832  return _IMP_atom.get_bounding_box(*args)
1833 
1834 def get_bounding_sphere(*args):
1835  """get_bounding_sphere(Hierarchy h) -> Sphere3D"""
1836  return _IMP_atom.get_bounding_sphere(*args)
1837 class Angle(IMP.kernel.Decorator):
1838  """Proxy of C++ IMP::atom::Angle class"""
1839  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1840  def __init__(self, *args):
1841  """
1842  __init__(IMP::atom::Angle self) -> Angle
1843  __init__(IMP::atom::Angle self, Model m, ::IMP::kernel::ParticleIndex id) -> Angle
1844  __init__(IMP::atom::Angle self, _ParticleAdaptor d) -> Angle
1845  """
1846  this = _IMP_atom.new_Angle(*args)
1847  try: self.this.append(this)
1848  except: self.this = this
1849  def show(self, *args):
1850  """
1851  show(Angle self, _ostream out=std::cout)
1852  show(Angle self)
1853  """
1854  return _IMP_atom.Angle_show(self, *args)
1855 
1856  def setup_particle(*args):
1857  """
1858  setup_particle(Model m, IMP::kernel::ParticleIndex pi, XYZ a, XYZ b, XYZ c) -> Angle
1859  setup_particle(_ParticleAdaptor decorator, XYZ a, XYZ b, XYZ c) -> Angle
1860  """
1861  return _IMP_atom.Angle_setup_particle(*args)
1862 
1863  setup_particle = staticmethod(setup_particle)
1864  def get_is_setup(*args):
1865  """
1866  get_is_setup(_ParticleAdaptor p) -> bool
1867  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
1868  """
1869  return _IMP_atom.Angle_get_is_setup(*args)
1870 
1871  get_is_setup = staticmethod(get_is_setup)
1872  def get_particle(self, *args):
1873  """
1874  get_particle(Angle self) -> Particle
1875  get_particle(Angle self, unsigned int i) -> Particle
1876  """
1877  return _IMP_atom.Angle_get_particle(self, *args)
1878 
1879  def get_ideal(self):
1880  """get_ideal(Angle self) -> IMP::Float"""
1881  return _IMP_atom.Angle_get_ideal(self)
1882 
1883  def set_ideal(self, *args):
1884  """set_ideal(Angle self, IMP::Float t)"""
1885  return _IMP_atom.Angle_set_ideal(self, *args)
1886 
1887  def get_stiffness(self):
1888  """get_stiffness(Angle self) -> IMP::Float"""
1889  return _IMP_atom.Angle_get_stiffness(self)
1890 
1891  def set_stiffness(self, *args):
1892  """set_stiffness(Angle self, IMP::Float t)"""
1893  return _IMP_atom.Angle_set_stiffness(self, *args)
1894 
1895  def get_particle_key(*args):
1896  """get_particle_key(unsigned int i) -> ParticleIndexKey"""
1897  return _IMP_atom.Angle_get_particle_key(*args)
1898 
1899  get_particle_key = staticmethod(get_particle_key)
1900  def get_ideal_key():
1901  """get_ideal_key() -> FloatKey"""
1902  return _IMP_atom.Angle_get_ideal_key()
1903 
1904  get_ideal_key = staticmethod(get_ideal_key)
1905  def get_stiffness_key():
1906  """get_stiffness_key() -> FloatKey"""
1907  return _IMP_atom.Angle_get_stiffness_key()
1908 
1909  get_stiffness_key = staticmethod(get_stiffness_key)
1910  def add_attribute(self, *args):
1911  """
1912  add_attribute(Angle self, FloatKey k, IMP::Float v, bool opt)
1913  add_attribute(Angle self, FloatKey a0, IMP::Float a1)
1914  add_attribute(Angle self, IntKey a0, IMP::Int a1)
1915  add_attribute(Angle self, StringKey a0, IMP::String a1)
1916  add_attribute(Angle self, ParticleIndexKey a0, Particle a1)
1917  add_attribute(Angle self, ObjectKey a0, Object a1)
1918  """
1919  return _IMP_atom.Angle_add_attribute(self, *args)
1920 
1921  def get_value(self, *args):
1922  """
1923  get_value(Angle self, FloatKey a0) -> IMP::Float
1924  get_value(Angle self, IntKey a0) -> IMP::Int
1925  get_value(Angle self, StringKey a0) -> IMP::String
1926  get_value(Angle self, ParticleIndexKey a0) -> Particle
1927  get_value(Angle self, ObjectKey a0) -> Object
1928  """
1929  return _IMP_atom.Angle_get_value(self, *args)
1930 
1931  def set_value(self, *args):
1932  """
1933  set_value(Angle self, FloatKey a0, IMP::Float a1)
1934  set_value(Angle self, IntKey a0, IMP::Int a1)
1935  set_value(Angle self, StringKey a0, IMP::String a1)
1936  set_value(Angle self, ParticleIndexKey a0, Particle a1)
1937  set_value(Angle self, ObjectKey a0, Object a1)
1938  """
1939  return _IMP_atom.Angle_set_value(self, *args)
1940 
1941  def remove_attribute(self, *args):
1942  """
1943  remove_attribute(Angle self, FloatKey a0)
1944  remove_attribute(Angle self, IntKey a0)
1945  remove_attribute(Angle self, StringKey a0)
1946  remove_attribute(Angle self, ParticleIndexKey a0)
1947  remove_attribute(Angle self, ObjectKey a0)
1948  """
1949  return _IMP_atom.Angle_remove_attribute(self, *args)
1950 
1951  def has_attribute(self, *args):
1952  """
1953  has_attribute(Angle self, FloatKey a0) -> bool
1954  has_attribute(Angle self, IntKey a0) -> bool
1955  has_attribute(Angle self, StringKey a0) -> bool
1956  has_attribute(Angle self, ParticleIndexKey a0) -> bool
1957  has_attribute(Angle self, ObjectKey a0) -> bool
1958  """
1959  return _IMP_atom.Angle_has_attribute(self, *args)
1960 
1961  def get_derivative(self, *args):
1962  """get_derivative(Angle self, FloatKey a0) -> double"""
1963  return _IMP_atom.Angle_get_derivative(self, *args)
1964 
1965  def get_name(self):
1966  """get_name(Angle self) -> std::string"""
1967  return _IMP_atom.Angle_get_name(self)
1968 
1969  def clear_caches(self):
1970  """clear_caches(Angle self)"""
1971  return _IMP_atom.Angle_clear_caches(self)
1972 
1973  def set_name(self, *args):
1974  """set_name(Angle self, std::string a0)"""
1975  return _IMP_atom.Angle_set_name(self, *args)
1976 
1977  def set_check_level(self, *args):
1978  """set_check_level(Angle self, IMP::base::CheckLevel a0)"""
1979  return _IMP_atom.Angle_set_check_level(self, *args)
1980 
1981  def add_to_derivative(self, *args):
1982  """add_to_derivative(Angle self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1983  return _IMP_atom.Angle_add_to_derivative(self, *args)
1984 
1985  def set_is_optimized(self, *args):
1986  """set_is_optimized(Angle self, FloatKey a0, bool a1)"""
1987  return _IMP_atom.Angle_set_is_optimized(self, *args)
1988 
1989  def get_is_optimized(self, *args):
1990  """get_is_optimized(Angle self, FloatKey a0) -> bool"""
1991  return _IMP_atom.Angle_get_is_optimized(self, *args)
1992 
1993  def get_check_level(self):
1994  """get_check_level(Angle self) -> IMP::base::CheckLevel"""
1995  return _IMP_atom.Angle_get_check_level(self)
1996 
1997  def __eq__(self, *args):
1998  """
1999  __eq__(Angle self, Angle o) -> bool
2000  __eq__(Angle self, Particle d) -> bool
2001  """
2002  return _IMP_atom.Angle___eq__(self, *args)
2003 
2004  def __ne__(self, *args):
2005  """
2006  __ne__(Angle self, Angle o) -> bool
2007  __ne__(Angle self, Particle d) -> bool
2008  """
2009  return _IMP_atom.Angle___ne__(self, *args)
2010 
2011  def __le__(self, *args):
2012  """
2013  __le__(Angle self, Angle o) -> bool
2014  __le__(Angle self, Particle d) -> bool
2015  """
2016  return _IMP_atom.Angle___le__(self, *args)
2017 
2018  def __lt__(self, *args):
2019  """
2020  __lt__(Angle self, Angle o) -> bool
2021  __lt__(Angle self, Particle d) -> bool
2022  """
2023  return _IMP_atom.Angle___lt__(self, *args)
2024 
2025  def __ge__(self, *args):
2026  """
2027  __ge__(Angle self, Angle o) -> bool
2028  __ge__(Angle self, Particle d) -> bool
2029  """
2030  return _IMP_atom.Angle___ge__(self, *args)
2031 
2032  def __gt__(self, *args):
2033  """
2034  __gt__(Angle self, Angle o) -> bool
2035  __gt__(Angle self, Particle d) -> bool
2036  """
2037  return _IMP_atom.Angle___gt__(self, *args)
2038 
2039  def __hash__(self):
2040  """__hash__(Angle self) -> std::size_t"""
2041  return _IMP_atom.Angle___hash__(self)
2042 
2043  def __str__(self):
2044  """__str__(Angle self) -> std::string"""
2045  return _IMP_atom.Angle___str__(self)
2046 
2047  def __repr__(self):
2048  """__repr__(Angle self) -> std::string"""
2049  return _IMP_atom.Angle___repr__(self)
2050 
2051  __swig_destroy__ = _IMP_atom.delete_Angle
2052  __del__ = lambda self : None;
2053 Angle_swigregister = _IMP_atom.Angle_swigregister
2054 Angle_swigregister(Angle)
2055 
2056 def Angle_setup_particle(*args):
2057  """
2058  setup_particle(Model m, IMP::kernel::ParticleIndex pi, XYZ a, XYZ b, XYZ c) -> Angle
2059  Angle_setup_particle(_ParticleAdaptor decorator, XYZ a, XYZ b, XYZ c) -> Angle
2060  """
2061  return _IMP_atom.Angle_setup_particle(*args)
2062 
2063 def Angle_get_is_setup(*args):
2064  """
2065  get_is_setup(_ParticleAdaptor p) -> bool
2066  Angle_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
2067  """
2068  return _IMP_atom.Angle_get_is_setup(*args)
2069 
2070 def Angle_get_particle_key(*args):
2071  """Angle_get_particle_key(unsigned int i) -> ParticleIndexKey"""
2072  return _IMP_atom.Angle_get_particle_key(*args)
2073 
2074 def Angle_get_ideal_key():
2075  """Angle_get_ideal_key() -> FloatKey"""
2076  return _IMP_atom.Angle_get_ideal_key()
2077 
2078 def Angle_get_stiffness_key():
2079  """Angle_get_stiffness_key() -> FloatKey"""
2080  return _IMP_atom.Angle_get_stiffness_key()
2081 
2082 class Dihedral(IMP.kernel.Decorator):
2083  """Proxy of C++ IMP::atom::Dihedral class"""
2084  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2085  def __init__(self, *args):
2086  """
2087  __init__(IMP::atom::Dihedral self) -> Dihedral
2088  __init__(IMP::atom::Dihedral self, Model m, ::IMP::kernel::ParticleIndex id) -> Dihedral
2089  __init__(IMP::atom::Dihedral self, _ParticleAdaptor d) -> Dihedral
2090  """
2091  this = _IMP_atom.new_Dihedral(*args)
2092  try: self.this.append(this)
2093  except: self.this = this
2094  def show(self, *args):
2095  """
2096  show(Dihedral self, _ostream out=std::cout)
2097  show(Dihedral self)
2098  """
2099  return _IMP_atom.Dihedral_show(self, *args)
2100 
2101  def setup_particle(*args):
2102  """
2103  setup_particle(Model m, IMP::kernel::ParticleIndex pi, XYZ a, XYZ b, XYZ c, XYZ d) -> Dihedral
2104  setup_particle(_ParticleAdaptor decorator, XYZ a, XYZ b, XYZ c, XYZ d) -> Dihedral
2105  """
2106  return _IMP_atom.Dihedral_setup_particle(*args)
2107 
2108  setup_particle = staticmethod(setup_particle)
2109  def get_is_setup(*args):
2110  """
2111  get_is_setup(_ParticleAdaptor p) -> bool
2112  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
2113  """
2114  return _IMP_atom.Dihedral_get_is_setup(*args)
2115 
2116  get_is_setup = staticmethod(get_is_setup)
2117  def get_particle(self, *args):
2118  """
2119  get_particle(Dihedral self) -> Particle
2120  get_particle(Dihedral self, unsigned int i) -> Particle
2121  """
2122  return _IMP_atom.Dihedral_get_particle(self, *args)
2123 
2124  def get_ideal(self):
2125  """get_ideal(Dihedral self) -> IMP::Float"""
2126  return _IMP_atom.Dihedral_get_ideal(self)
2127 
2128  def set_ideal(self, *args):
2129  """set_ideal(Dihedral self, IMP::Float t)"""
2130  return _IMP_atom.Dihedral_set_ideal(self, *args)
2131 
2132  def get_multiplicity(self):
2133  """get_multiplicity(Dihedral self) -> IMP::Int"""
2134  return _IMP_atom.Dihedral_get_multiplicity(self)
2135 
2136  def set_multiplicity(self, *args):
2137  """set_multiplicity(Dihedral self, IMP::Int t)"""
2138  return _IMP_atom.Dihedral_set_multiplicity(self, *args)
2139 
2140  def get_stiffness(self):
2141  """get_stiffness(Dihedral self) -> IMP::Float"""
2142  return _IMP_atom.Dihedral_get_stiffness(self)
2143 
2144  def set_stiffness(self, *args):
2145  """set_stiffness(Dihedral self, IMP::Float t)"""
2146  return _IMP_atom.Dihedral_set_stiffness(self, *args)
2147 
2148  def get_particle_key(*args):
2149  """get_particle_key(unsigned int i) -> ParticleIndexKey"""
2150  return _IMP_atom.Dihedral_get_particle_key(*args)
2151 
2152  get_particle_key = staticmethod(get_particle_key)
2153  def get_ideal_key():
2154  """get_ideal_key() -> FloatKey"""
2155  return _IMP_atom.Dihedral_get_ideal_key()
2156 
2157  get_ideal_key = staticmethod(get_ideal_key)
2158  def get_multiplicity_key():
2159  """get_multiplicity_key() -> IntKey"""
2160  return _IMP_atom.Dihedral_get_multiplicity_key()
2161 
2162  get_multiplicity_key = staticmethod(get_multiplicity_key)
2163  def get_stiffness_key():
2164  """get_stiffness_key() -> FloatKey"""
2165  return _IMP_atom.Dihedral_get_stiffness_key()
2166 
2167  get_stiffness_key = staticmethod(get_stiffness_key)
2168  def add_attribute(self, *args):
2169  """
2170  add_attribute(Dihedral self, FloatKey k, IMP::Float v, bool opt)
2171  add_attribute(Dihedral self, FloatKey a0, IMP::Float a1)
2172  add_attribute(Dihedral self, IntKey a0, IMP::Int a1)
2173  add_attribute(Dihedral self, StringKey a0, IMP::String a1)
2174  add_attribute(Dihedral self, ParticleIndexKey a0, Particle a1)
2175  add_attribute(Dihedral self, ObjectKey a0, Object a1)
2176  """
2177  return _IMP_atom.Dihedral_add_attribute(self, *args)
2178 
2179  def get_value(self, *args):
2180  """
2181  get_value(Dihedral self, FloatKey a0) -> IMP::Float
2182  get_value(Dihedral self, IntKey a0) -> IMP::Int
2183  get_value(Dihedral self, StringKey a0) -> IMP::String
2184  get_value(Dihedral self, ParticleIndexKey a0) -> Particle
2185  get_value(Dihedral self, ObjectKey a0) -> Object
2186  """
2187  return _IMP_atom.Dihedral_get_value(self, *args)
2188 
2189  def set_value(self, *args):
2190  """
2191  set_value(Dihedral self, FloatKey a0, IMP::Float a1)
2192  set_value(Dihedral self, IntKey a0, IMP::Int a1)
2193  set_value(Dihedral self, StringKey a0, IMP::String a1)
2194  set_value(Dihedral self, ParticleIndexKey a0, Particle a1)
2195  set_value(Dihedral self, ObjectKey a0, Object a1)
2196  """
2197  return _IMP_atom.Dihedral_set_value(self, *args)
2198 
2199  def remove_attribute(self, *args):
2200  """
2201  remove_attribute(Dihedral self, FloatKey a0)
2202  remove_attribute(Dihedral self, IntKey a0)
2203  remove_attribute(Dihedral self, StringKey a0)
2204  remove_attribute(Dihedral self, ParticleIndexKey a0)
2205  remove_attribute(Dihedral self, ObjectKey a0)
2206  """
2207  return _IMP_atom.Dihedral_remove_attribute(self, *args)
2208 
2209  def has_attribute(self, *args):
2210  """
2211  has_attribute(Dihedral self, FloatKey a0) -> bool
2212  has_attribute(Dihedral self, IntKey a0) -> bool
2213  has_attribute(Dihedral self, StringKey a0) -> bool
2214  has_attribute(Dihedral self, ParticleIndexKey a0) -> bool
2215  has_attribute(Dihedral self, ObjectKey a0) -> bool
2216  """
2217  return _IMP_atom.Dihedral_has_attribute(self, *args)
2218 
2219  def get_derivative(self, *args):
2220  """get_derivative(Dihedral self, FloatKey a0) -> double"""
2221  return _IMP_atom.Dihedral_get_derivative(self, *args)
2222 
2223  def get_name(self):
2224  """get_name(Dihedral self) -> std::string"""
2225  return _IMP_atom.Dihedral_get_name(self)
2226 
2227  def clear_caches(self):
2228  """clear_caches(Dihedral self)"""
2229  return _IMP_atom.Dihedral_clear_caches(self)
2230 
2231  def set_name(self, *args):
2232  """set_name(Dihedral self, std::string a0)"""
2233  return _IMP_atom.Dihedral_set_name(self, *args)
2234 
2235  def set_check_level(self, *args):
2236  """set_check_level(Dihedral self, IMP::base::CheckLevel a0)"""
2237  return _IMP_atom.Dihedral_set_check_level(self, *args)
2238 
2239  def add_to_derivative(self, *args):
2240  """add_to_derivative(Dihedral self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2241  return _IMP_atom.Dihedral_add_to_derivative(self, *args)
2242 
2243  def set_is_optimized(self, *args):
2244  """set_is_optimized(Dihedral self, FloatKey a0, bool a1)"""
2245  return _IMP_atom.Dihedral_set_is_optimized(self, *args)
2246 
2247  def get_is_optimized(self, *args):
2248  """get_is_optimized(Dihedral self, FloatKey a0) -> bool"""
2249  return _IMP_atom.Dihedral_get_is_optimized(self, *args)
2250 
2251  def get_check_level(self):
2252  """get_check_level(Dihedral self) -> IMP::base::CheckLevel"""
2253  return _IMP_atom.Dihedral_get_check_level(self)
2254 
2255  def __eq__(self, *args):
2256  """
2257  __eq__(Dihedral self, Dihedral o) -> bool
2258  __eq__(Dihedral self, Particle d) -> bool
2259  """
2260  return _IMP_atom.Dihedral___eq__(self, *args)
2261 
2262  def __ne__(self, *args):
2263  """
2264  __ne__(Dihedral self, Dihedral o) -> bool
2265  __ne__(Dihedral self, Particle d) -> bool
2266  """
2267  return _IMP_atom.Dihedral___ne__(self, *args)
2268 
2269  def __le__(self, *args):
2270  """
2271  __le__(Dihedral self, Dihedral o) -> bool
2272  __le__(Dihedral self, Particle d) -> bool
2273  """
2274  return _IMP_atom.Dihedral___le__(self, *args)
2275 
2276  def __lt__(self, *args):
2277  """
2278  __lt__(Dihedral self, Dihedral o) -> bool
2279  __lt__(Dihedral self, Particle d) -> bool
2280  """
2281  return _IMP_atom.Dihedral___lt__(self, *args)
2282 
2283  def __ge__(self, *args):
2284  """
2285  __ge__(Dihedral self, Dihedral o) -> bool
2286  __ge__(Dihedral self, Particle d) -> bool
2287  """
2288  return _IMP_atom.Dihedral___ge__(self, *args)
2289 
2290  def __gt__(self, *args):
2291  """
2292  __gt__(Dihedral self, Dihedral o) -> bool
2293  __gt__(Dihedral self, Particle d) -> bool
2294  """
2295  return _IMP_atom.Dihedral___gt__(self, *args)
2296 
2297  def __hash__(self):
2298  """__hash__(Dihedral self) -> std::size_t"""
2299  return _IMP_atom.Dihedral___hash__(self)
2300 
2301  def __str__(self):
2302  """__str__(Dihedral self) -> std::string"""
2303  return _IMP_atom.Dihedral___str__(self)
2304 
2305  def __repr__(self):
2306  """__repr__(Dihedral self) -> std::string"""
2307  return _IMP_atom.Dihedral___repr__(self)
2308 
2309  __swig_destroy__ = _IMP_atom.delete_Dihedral
2310  __del__ = lambda self : None;
2311 Dihedral_swigregister = _IMP_atom.Dihedral_swigregister
2312 Dihedral_swigregister(Dihedral)
2313 
2314 def Dihedral_setup_particle(*args):
2315  """
2316  setup_particle(Model m, IMP::kernel::ParticleIndex pi, XYZ a, XYZ b, XYZ c, XYZ d) -> Dihedral
2317  Dihedral_setup_particle(_ParticleAdaptor decorator, XYZ a, XYZ b, XYZ c, XYZ d) -> Dihedral
2318  """
2319  return _IMP_atom.Dihedral_setup_particle(*args)
2320 
2321 def Dihedral_get_is_setup(*args):
2322  """
2323  get_is_setup(_ParticleAdaptor p) -> bool
2324  Dihedral_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
2325  """
2326  return _IMP_atom.Dihedral_get_is_setup(*args)
2327 
2328 def Dihedral_get_particle_key(*args):
2329  """Dihedral_get_particle_key(unsigned int i) -> ParticleIndexKey"""
2330  return _IMP_atom.Dihedral_get_particle_key(*args)
2331 
2332 def Dihedral_get_ideal_key():
2333  """Dihedral_get_ideal_key() -> FloatKey"""
2334  return _IMP_atom.Dihedral_get_ideal_key()
2335 
2336 def Dihedral_get_multiplicity_key():
2337  """Dihedral_get_multiplicity_key() -> IntKey"""
2338  return _IMP_atom.Dihedral_get_multiplicity_key()
2339 
2340 def Dihedral_get_stiffness_key():
2341  """Dihedral_get_stiffness_key() -> FloatKey"""
2342  return _IMP_atom.Dihedral_get_stiffness_key()
2343 
2344 class SmoothingFunction(IMP.base.Object):
2345  """Proxy of C++ IMP::atom::SmoothingFunction class"""
2346  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2347  def __init__(self, *args, **kwargs): raise AttributeError("No constructor defined - class is abstract")
2348  def __call__(self, *args):
2349  """
2350  __call__(SmoothingFunction self, double score, double distance) -> double
2351  __call__(SmoothingFunction self, double score, double deriv, double distance) -> IMP::DerivativePair
2352  """
2353  return _IMP_atom.SmoothingFunction___call__(self, *args)
2354 
2355  __swig_destroy__ = _IMP_atom.delete_SmoothingFunction
2356  __del__ = lambda self : None;
2357  def __str__(self):
2358  """__str__(SmoothingFunction self) -> std::string"""
2359  return _IMP_atom.SmoothingFunction___str__(self)
2360 
2361  def __repr__(self):
2362  """__repr__(SmoothingFunction self) -> std::string"""
2363  return _IMP_atom.SmoothingFunction___repr__(self)
2364 
2365  def get_from(o):
2366  return _object_cast_to_SmoothingFunction(o)
2367  get_from = staticmethod(get_from)
2368 
2369 SmoothingFunction_swigregister = _IMP_atom.SmoothingFunction_swigregister
2370 SmoothingFunction_swigregister(SmoothingFunction)
2371 
2372 class ForceSwitch(SmoothingFunction):
2373  """Proxy of C++ IMP::atom::ForceSwitch class"""
2374  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2375  def __init__(self, *args):
2376  """__init__(IMP::atom::ForceSwitch self, double min_distance, double max_distance) -> ForceSwitch"""
2377  this = _IMP_atom.new_ForceSwitch(*args)
2378  try: self.this.append(this)
2379  except: self.this = this
2380  def __call__(self, *args):
2381  """
2382  __call__(ForceSwitch self, double score, double distance) -> double
2383  __call__(ForceSwitch self, double score, double deriv, double distance) -> IMP::DerivativePair
2384  """
2385  return _IMP_atom.ForceSwitch___call__(self, *args)
2386 
2387  def get_version_info(self):
2388  """get_version_info(ForceSwitch self) -> VersionInfo"""
2389  return _IMP_atom.ForceSwitch_get_version_info(self)
2390 
2391  def __str__(self):
2392  """__str__(ForceSwitch self) -> std::string"""
2393  return _IMP_atom.ForceSwitch___str__(self)
2394 
2395  def __repr__(self):
2396  """__repr__(ForceSwitch self) -> std::string"""
2397  return _IMP_atom.ForceSwitch___repr__(self)
2398 
2399  def get_from(o):
2400  return _object_cast_to_ForceSwitch(o)
2401  get_from = staticmethod(get_from)
2402 
2403 ForceSwitch_swigregister = _IMP_atom.ForceSwitch_swigregister
2404 ForceSwitch_swigregister(ForceSwitch)
2405 
2406 class AngleSingletonScore(IMP.kernel.SingletonScore):
2407  """Proxy of C++ IMP::atom::AngleSingletonScore class"""
2408  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2409  def __init__(self, *args):
2410  """__init__(IMP::atom::AngleSingletonScore self, UnaryFunction f) -> AngleSingletonScore"""
2411  this = _IMP_atom.new_AngleSingletonScore(*args)
2412  try: self.this.append(this)
2413  except: self.this = this
2414  def do_get_inputs(self, *args):
2415  """do_get_inputs(AngleSingletonScore self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
2416  return _IMP_atom.AngleSingletonScore_do_get_inputs(self, *args)
2417 
2418  def get_version_info(self):
2419  """get_version_info(AngleSingletonScore self) -> VersionInfo"""
2420  return _IMP_atom.AngleSingletonScore_get_version_info(self)
2421 
2422  def __str__(self):
2423  """__str__(AngleSingletonScore self) -> std::string"""
2424  return _IMP_atom.AngleSingletonScore___str__(self)
2425 
2426  def __repr__(self):
2427  """__repr__(AngleSingletonScore self) -> std::string"""
2428  return _IMP_atom.AngleSingletonScore___repr__(self)
2429 
2430  def get_from(o):
2431  return _object_cast_to_AngleSingletonScore(o)
2432  get_from = staticmethod(get_from)
2433 
2434 AngleSingletonScore_swigregister = _IMP_atom.AngleSingletonScore_swigregister
2435 AngleSingletonScore_swigregister(AngleSingletonScore)
2436 
2437 class BondEndpointsRefiner(IMP.kernel.Refiner):
2438  """Proxy of C++ IMP::atom::BondEndpointsRefiner class"""
2439  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2440  def __init__(self):
2441  """__init__(IMP::atom::BondEndpointsRefiner self) -> BondEndpointsRefiner"""
2442  this = _IMP_atom.new_BondEndpointsRefiner()
2443  try: self.this.append(this)
2444  except: self.this = this
2445  def do_get_inputs(self, *args):
2446  """do_get_inputs(BondEndpointsRefiner self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
2447  return _IMP_atom.BondEndpointsRefiner_do_get_inputs(self, *args)
2448 
2449  def get_version_info(self):
2450  """get_version_info(BondEndpointsRefiner self) -> VersionInfo"""
2451  return _IMP_atom.BondEndpointsRefiner_get_version_info(self)
2452 
2453  def __str__(self):
2454  """__str__(BondEndpointsRefiner self) -> std::string"""
2455  return _IMP_atom.BondEndpointsRefiner___str__(self)
2456 
2457  def __repr__(self):
2458  """__repr__(BondEndpointsRefiner self) -> std::string"""
2459  return _IMP_atom.BondEndpointsRefiner___repr__(self)
2460 
2461  def get_from(o):
2462  return _object_cast_to_BondEndpointsRefiner(o)
2463  get_from = staticmethod(get_from)
2464 
2465 BondEndpointsRefiner_swigregister = _IMP_atom.BondEndpointsRefiner_swigregister
2466 BondEndpointsRefiner_swigregister(BondEndpointsRefiner)
2467 
2468 class BondPairContainer(IMP.kernel.PairContainer):
2469  """Proxy of C++ IMP::atom::BondPairContainer class"""
2470  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2471  def __init__(self, *args):
2472  """__init__(IMP::atom::BondPairContainer self, SingletonContainer sc) -> BondPairContainer"""
2473  this = _IMP_atom.new_BondPairContainer(*args)
2474  try: self.this.append(this)
2475  except: self.this = this
2476  def do_get_inputs(self):
2477  """do_get_inputs(BondPairContainer self) -> IMP::kernel::ModelObjectsTemp"""
2478  return _IMP_atom.BondPairContainer_do_get_inputs(self)
2479 
2480  def do_apply(self, *args):
2481  """do_apply(BondPairContainer self, PairModifier sm)"""
2482  return _IMP_atom.BondPairContainer_do_apply(self, *args)
2483 
2484  def get_version_info(self):
2485  """get_version_info(BondPairContainer self) -> VersionInfo"""
2486  return _IMP_atom.BondPairContainer_get_version_info(self)
2487 
2488  def __str__(self):
2489  """__str__(BondPairContainer self) -> std::string"""
2490  return _IMP_atom.BondPairContainer___str__(self)
2491 
2492  def __repr__(self):
2493  """__repr__(BondPairContainer self) -> std::string"""
2494  return _IMP_atom.BondPairContainer___repr__(self)
2495 
2496  def get_from(o):
2497  return _object_cast_to_BondPairContainer(o)
2498  get_from = staticmethod(get_from)
2499 
2500 BondPairContainer_swigregister = _IMP_atom.BondPairContainer_swigregister
2501 BondPairContainer_swigregister(BondPairContainer)
2502 
2503 class BondSingletonScore(IMP.kernel.SingletonScore):
2504  """Proxy of C++ IMP::atom::BondSingletonScore class"""
2505  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2506  def __init__(self, *args):
2507  """__init__(IMP::atom::BondSingletonScore self, UnaryFunction f) -> BondSingletonScore"""
2508  this = _IMP_atom.new_BondSingletonScore(*args)
2509  try: self.this.append(this)
2510  except: self.this = this
2511  def get_unary_function(self):
2512  """get_unary_function(BondSingletonScore self) -> UnaryFunction"""
2513  return _IMP_atom.BondSingletonScore_get_unary_function(self)
2514 
2515  def do_get_inputs(self, *args):
2516  """do_get_inputs(BondSingletonScore self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
2517  return _IMP_atom.BondSingletonScore_do_get_inputs(self, *args)
2518 
2519  def get_version_info(self):
2520  """get_version_info(BondSingletonScore self) -> VersionInfo"""
2521  return _IMP_atom.BondSingletonScore_get_version_info(self)
2522 
2523  def __str__(self):
2524  """__str__(BondSingletonScore self) -> std::string"""
2525  return _IMP_atom.BondSingletonScore___str__(self)
2526 
2527  def __repr__(self):
2528  """__repr__(BondSingletonScore self) -> std::string"""
2529  return _IMP_atom.BondSingletonScore___repr__(self)
2530 
2531  def get_from(o):
2532  return _object_cast_to_BondSingletonScore(o)
2533  get_from = staticmethod(get_from)
2534 
2535 BondSingletonScore_swigregister = _IMP_atom.BondSingletonScore_swigregister
2536 BondSingletonScore_swigregister(BondSingletonScore)
2537 
2538 class DihedralSingletonScore(IMP.kernel.SingletonScore):
2539  """Proxy of C++ IMP::atom::DihedralSingletonScore class"""
2540  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2541  def __init__(self):
2542  """__init__(IMP::atom::DihedralSingletonScore self) -> DihedralSingletonScore"""
2543  this = _IMP_atom.new_DihedralSingletonScore()
2544  try: self.this.append(this)
2545  except: self.this = this
2546  def do_get_inputs(self, *args):
2547  """do_get_inputs(DihedralSingletonScore self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
2548  return _IMP_atom.DihedralSingletonScore_do_get_inputs(self, *args)
2549 
2550  def get_version_info(self):
2551  """get_version_info(DihedralSingletonScore self) -> VersionInfo"""
2552  return _IMP_atom.DihedralSingletonScore_get_version_info(self)
2553 
2554  def __str__(self):
2555  """__str__(DihedralSingletonScore self) -> std::string"""
2556  return _IMP_atom.DihedralSingletonScore___str__(self)
2557 
2558  def __repr__(self):
2559  """__repr__(DihedralSingletonScore self) -> std::string"""
2560  return _IMP_atom.DihedralSingletonScore___repr__(self)
2561 
2562  def get_from(o):
2563  return _object_cast_to_DihedralSingletonScore(o)
2564  get_from = staticmethod(get_from)
2565 
2566 DihedralSingletonScore_swigregister = _IMP_atom.DihedralSingletonScore_swigregister
2567 DihedralSingletonScore_swigregister(DihedralSingletonScore)
2568 
2569 class ImproperSingletonScore(IMP.kernel.SingletonScore):
2570  """Proxy of C++ IMP::atom::ImproperSingletonScore class"""
2571  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2572  def __init__(self, *args):
2573  """__init__(IMP::atom::ImproperSingletonScore self, UnaryFunction f) -> ImproperSingletonScore"""
2574  this = _IMP_atom.new_ImproperSingletonScore(*args)
2575  try: self.this.append(this)
2576  except: self.this = this
2577  def do_get_inputs(self, *args):
2578  """do_get_inputs(ImproperSingletonScore self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
2579  return _IMP_atom.ImproperSingletonScore_do_get_inputs(self, *args)
2580 
2581  def get_version_info(self):
2582  """get_version_info(ImproperSingletonScore self) -> VersionInfo"""
2583  return _IMP_atom.ImproperSingletonScore_get_version_info(self)
2584 
2585  def __str__(self):
2586  """__str__(ImproperSingletonScore self) -> std::string"""
2587  return _IMP_atom.ImproperSingletonScore___str__(self)
2588 
2589  def __repr__(self):
2590  """__repr__(ImproperSingletonScore self) -> std::string"""
2591  return _IMP_atom.ImproperSingletonScore___repr__(self)
2592 
2593  def get_from(o):
2594  return _object_cast_to_ImproperSingletonScore(o)
2595  get_from = staticmethod(get_from)
2596 
2597 ImproperSingletonScore_swigregister = _IMP_atom.ImproperSingletonScore_swigregister
2598 ImproperSingletonScore_swigregister(ImproperSingletonScore)
2599 
2600 class CenterOfMass(IMP.kernel.Decorator):
2601  """Proxy of C++ IMP::atom::CenterOfMass class"""
2602  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2603  def get_constraint(self):
2604  """get_constraint(CenterOfMass self) -> Constraint"""
2605  return _IMP_atom.CenterOfMass_get_constraint(self)
2606 
2607  def get_mass(self):
2608  """get_mass(CenterOfMass self) -> IMP::Float"""
2609  return _IMP_atom.CenterOfMass_get_mass(self)
2610 
2611  def get_coordinate(self, *args):
2612  """get_coordinate(CenterOfMass self, int i) -> IMP::Float"""
2613  return _IMP_atom.CenterOfMass_get_coordinate(self, *args)
2614 
2615  def get_coordinates(self):
2616  """get_coordinates(CenterOfMass self) -> Vector3D"""
2617  return _IMP_atom.CenterOfMass_get_coordinates(self)
2618 
2619  def __init__(self, *args):
2620  """
2621  __init__(IMP::atom::CenterOfMass self) -> CenterOfMass
2622  __init__(IMP::atom::CenterOfMass self, Model m, ::IMP::kernel::ParticleIndex id) -> CenterOfMass
2623  __init__(IMP::atom::CenterOfMass self, _ParticleAdaptor d) -> CenterOfMass
2624  """
2625  this = _IMP_atom.new_CenterOfMass(*args)
2626  try: self.this.append(this)
2627  except: self.this = this
2628  def show(self, *args):
2629  """
2630  show(CenterOfMass self, _ostream out=std::cout)
2631  show(CenterOfMass self)
2632  """
2633  return _IMP_atom.CenterOfMass_show(self, *args)
2634 
2635  def setup_particle(*args):
2636  """
2637  setup_particle(Model m, IMP::kernel::ParticleIndex pi, _ParticleIndexesAdaptor members) -> CenterOfMass
2638  setup_particle(_ParticleAdaptor decorator, _ParticleIndexesAdaptor members) -> CenterOfMass
2639  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Refiner refiner) -> CenterOfMass
2640  setup_particle(_ParticleAdaptor decorator, Refiner refiner) -> CenterOfMass
2641  """
2642  return _IMP_atom.CenterOfMass_setup_particle(*args)
2643 
2644  setup_particle = staticmethod(setup_particle)
2645  def get_is_setup(*args):
2646  """
2647  get_is_setup(_ParticleAdaptor p) -> bool
2648  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
2649  """
2650  return _IMP_atom.CenterOfMass_get_is_setup(*args)
2651 
2652  get_is_setup = staticmethod(get_is_setup)
2653  def add_attribute(self, *args):
2654  """
2655  add_attribute(CenterOfMass self, FloatKey k, IMP::Float v, bool opt)
2656  add_attribute(CenterOfMass self, FloatKey a0, IMP::Float a1)
2657  add_attribute(CenterOfMass self, IntKey a0, IMP::Int a1)
2658  add_attribute(CenterOfMass self, StringKey a0, IMP::String a1)
2659  add_attribute(CenterOfMass self, ParticleIndexKey a0, Particle a1)
2660  add_attribute(CenterOfMass self, ObjectKey a0, Object a1)
2661  """
2662  return _IMP_atom.CenterOfMass_add_attribute(self, *args)
2663 
2664  def get_value(self, *args):
2665  """
2666  get_value(CenterOfMass self, FloatKey a0) -> IMP::Float
2667  get_value(CenterOfMass self, IntKey a0) -> IMP::Int
2668  get_value(CenterOfMass self, StringKey a0) -> IMP::String
2669  get_value(CenterOfMass self, ParticleIndexKey a0) -> Particle
2670  get_value(CenterOfMass self, ObjectKey a0) -> Object
2671  """
2672  return _IMP_atom.CenterOfMass_get_value(self, *args)
2673 
2674  def set_value(self, *args):
2675  """
2676  set_value(CenterOfMass self, FloatKey a0, IMP::Float a1)
2677  set_value(CenterOfMass self, IntKey a0, IMP::Int a1)
2678  set_value(CenterOfMass self, StringKey a0, IMP::String a1)
2679  set_value(CenterOfMass self, ParticleIndexKey a0, Particle a1)
2680  set_value(CenterOfMass self, ObjectKey a0, Object a1)
2681  """
2682  return _IMP_atom.CenterOfMass_set_value(self, *args)
2683 
2684  def remove_attribute(self, *args):
2685  """
2686  remove_attribute(CenterOfMass self, FloatKey a0)
2687  remove_attribute(CenterOfMass self, IntKey a0)
2688  remove_attribute(CenterOfMass self, StringKey a0)
2689  remove_attribute(CenterOfMass self, ParticleIndexKey a0)
2690  remove_attribute(CenterOfMass self, ObjectKey a0)
2691  """
2692  return _IMP_atom.CenterOfMass_remove_attribute(self, *args)
2693 
2694  def has_attribute(self, *args):
2695  """
2696  has_attribute(CenterOfMass self, FloatKey a0) -> bool
2697  has_attribute(CenterOfMass self, IntKey a0) -> bool
2698  has_attribute(CenterOfMass self, StringKey a0) -> bool
2699  has_attribute(CenterOfMass self, ParticleIndexKey a0) -> bool
2700  has_attribute(CenterOfMass self, ObjectKey a0) -> bool
2701  """
2702  return _IMP_atom.CenterOfMass_has_attribute(self, *args)
2703 
2704  def get_derivative(self, *args):
2705  """get_derivative(CenterOfMass self, FloatKey a0) -> double"""
2706  return _IMP_atom.CenterOfMass_get_derivative(self, *args)
2707 
2708  def get_name(self):
2709  """get_name(CenterOfMass self) -> std::string"""
2710  return _IMP_atom.CenterOfMass_get_name(self)
2711 
2712  def clear_caches(self):
2713  """clear_caches(CenterOfMass self)"""
2714  return _IMP_atom.CenterOfMass_clear_caches(self)
2715 
2716  def set_name(self, *args):
2717  """set_name(CenterOfMass self, std::string a0)"""
2718  return _IMP_atom.CenterOfMass_set_name(self, *args)
2719 
2720  def set_check_level(self, *args):
2721  """set_check_level(CenterOfMass self, IMP::base::CheckLevel a0)"""
2722  return _IMP_atom.CenterOfMass_set_check_level(self, *args)
2723 
2724  def add_to_derivative(self, *args):
2725  """add_to_derivative(CenterOfMass self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2726  return _IMP_atom.CenterOfMass_add_to_derivative(self, *args)
2727 
2728  def set_is_optimized(self, *args):
2729  """set_is_optimized(CenterOfMass self, FloatKey a0, bool a1)"""
2730  return _IMP_atom.CenterOfMass_set_is_optimized(self, *args)
2731 
2732  def get_is_optimized(self, *args):
2733  """get_is_optimized(CenterOfMass self, FloatKey a0) -> bool"""
2734  return _IMP_atom.CenterOfMass_get_is_optimized(self, *args)
2735 
2736  def get_check_level(self):
2737  """get_check_level(CenterOfMass self) -> IMP::base::CheckLevel"""
2738  return _IMP_atom.CenterOfMass_get_check_level(self)
2739 
2740  def __eq__(self, *args):
2741  """
2742  __eq__(CenterOfMass self, CenterOfMass o) -> bool
2743  __eq__(CenterOfMass self, Particle d) -> bool
2744  """
2745  return _IMP_atom.CenterOfMass___eq__(self, *args)
2746 
2747  def __ne__(self, *args):
2748  """
2749  __ne__(CenterOfMass self, CenterOfMass o) -> bool
2750  __ne__(CenterOfMass self, Particle d) -> bool
2751  """
2752  return _IMP_atom.CenterOfMass___ne__(self, *args)
2753 
2754  def __le__(self, *args):
2755  """
2756  __le__(CenterOfMass self, CenterOfMass o) -> bool
2757  __le__(CenterOfMass self, Particle d) -> bool
2758  """
2759  return _IMP_atom.CenterOfMass___le__(self, *args)
2760 
2761  def __lt__(self, *args):
2762  """
2763  __lt__(CenterOfMass self, CenterOfMass o) -> bool
2764  __lt__(CenterOfMass self, Particle d) -> bool
2765  """
2766  return _IMP_atom.CenterOfMass___lt__(self, *args)
2767 
2768  def __ge__(self, *args):
2769  """
2770  __ge__(CenterOfMass self, CenterOfMass o) -> bool
2771  __ge__(CenterOfMass self, Particle d) -> bool
2772  """
2773  return _IMP_atom.CenterOfMass___ge__(self, *args)
2774 
2775  def __gt__(self, *args):
2776  """
2777  __gt__(CenterOfMass self, CenterOfMass o) -> bool
2778  __gt__(CenterOfMass self, Particle d) -> bool
2779  """
2780  return _IMP_atom.CenterOfMass___gt__(self, *args)
2781 
2782  def __hash__(self):
2783  """__hash__(CenterOfMass self) -> std::size_t"""
2784  return _IMP_atom.CenterOfMass___hash__(self)
2785 
2786  def __str__(self):
2787  """__str__(CenterOfMass self) -> std::string"""
2788  return _IMP_atom.CenterOfMass___str__(self)
2789 
2790  def __repr__(self):
2791  """__repr__(CenterOfMass self) -> std::string"""
2792  return _IMP_atom.CenterOfMass___repr__(self)
2793 
2794  __swig_destroy__ = _IMP_atom.delete_CenterOfMass
2795  __del__ = lambda self : None;
2796 CenterOfMass_swigregister = _IMP_atom.CenterOfMass_swigregister
2797 CenterOfMass_swigregister(CenterOfMass)
2798 
2799 def CenterOfMass_setup_particle(*args):
2800  """
2801  setup_particle(Model m, IMP::kernel::ParticleIndex pi, _ParticleIndexesAdaptor members) -> CenterOfMass
2802  setup_particle(_ParticleAdaptor decorator, _ParticleIndexesAdaptor members) -> CenterOfMass
2803  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Refiner refiner) -> CenterOfMass
2804  CenterOfMass_setup_particle(_ParticleAdaptor decorator, Refiner refiner) -> CenterOfMass
2805  """
2806  return _IMP_atom.CenterOfMass_setup_particle(*args)
2807 
2808 def CenterOfMass_get_is_setup(*args):
2809  """
2810  get_is_setup(_ParticleAdaptor p) -> bool
2811  CenterOfMass_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
2812  """
2813  return _IMP_atom.CenterOfMass_get_is_setup(*args)
2814 
2815 class CoverBond(IMP.kernel.SingletonModifier):
2816  """Proxy of C++ IMP::atom::CoverBond class"""
2817  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2818  def __init__(self):
2819  """__init__(IMP::atom::CoverBond self) -> CoverBond"""
2820  this = _IMP_atom.new_CoverBond()
2821  try: self.this.append(this)
2822  except: self.this = this
2823  def do_get_inputs(self, *args):
2824  """do_get_inputs(CoverBond self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
2825  return _IMP_atom.CoverBond_do_get_inputs(self, *args)
2826 
2827  def do_get_outputs(self, *args):
2828  """do_get_outputs(CoverBond self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
2829  return _IMP_atom.CoverBond_do_get_outputs(self, *args)
2830 
2831  def get_version_info(self):
2832  """get_version_info(CoverBond self) -> VersionInfo"""
2833  return _IMP_atom.CoverBond_get_version_info(self)
2834 
2835  def __str__(self):
2836  """__str__(CoverBond self) -> std::string"""
2837  return _IMP_atom.CoverBond___str__(self)
2838 
2839  def __repr__(self):
2840  """__repr__(CoverBond self) -> std::string"""
2841  return _IMP_atom.CoverBond___repr__(self)
2842 
2843  def get_from(o):
2844  return _object_cast_to_CoverBond(o)
2845  get_from = staticmethod(get_from)
2846 
2847 CoverBond_swigregister = _IMP_atom.CoverBond_swigregister
2848 CoverBond_swigregister(CoverBond)
2849 
2850 class Simulator(IMP.kernel.Optimizer):
2851  """Proxy of C++ IMP::atom::Simulator class"""
2852  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2853  def __init__(self, *args):
2854  """
2855  __init__(IMP::atom::Simulator self, Model m, std::string name="Simulator %1%", double wave_factor=1.0) -> Simulator
2856  __init__(IMP::atom::Simulator self, Model m, std::string name="Simulator %1%") -> Simulator
2857  __init__(IMP::atom::Simulator self, Model m) -> Simulator
2858  """
2859  if self.__class__ == Simulator:
2860  _self = None
2861  else:
2862  _self = self
2863  this = _IMP_atom.new_Simulator(_self, *args)
2864  try: self.this.append(this)
2865  except: self.this = this
2866  if self.__class__ != Simulator:
2867  import IMP.base
2868  IMP.base._director_objects.register(self)
2869 
2870 
2871 
2872  def simulate(self, *args):
2873  """simulate(Simulator self, double time_in_fs) -> double"""
2874  return _IMP_atom.Simulator_simulate(self, *args)
2875 
2876  def simulate_wave(self, *args):
2877  """
2878  simulate_wave(Simulator self, double time_in_fs, double max_time_step_factor=10.0, double base=1.5) -> double
2879  simulate_wave(Simulator self, double time_in_fs, double max_time_step_factor=10.0) -> double
2880  simulate_wave(Simulator self, double time_in_fs) -> double
2881  """
2882  return _IMP_atom.Simulator_simulate_wave(self, *args)
2883 
2884  def get_temperature(self):
2885  """get_temperature(Simulator self) -> double"""
2886  return _IMP_atom.Simulator_get_temperature(self)
2887 
2888  def set_temperature(self, *args):
2889  """set_temperature(Simulator self, double d)"""
2890  return _IMP_atom.Simulator_set_temperature(self, *args)
2891 
2892  def set_maximum_time_step(self, *args):
2893  """set_maximum_time_step(Simulator self, double ts)"""
2894  return _IMP_atom.Simulator_set_maximum_time_step(self, *args)
2895 
2896  def get_maximum_time_step(self):
2897  """get_maximum_time_step(Simulator self) -> double"""
2898  return _IMP_atom.Simulator_get_maximum_time_step(self)
2899 
2900  def get_last_time_step(self):
2901  """get_last_time_step(Simulator self) -> double"""
2902  return _IMP_atom.Simulator_get_last_time_step(self)
2903 
2904  def set_time_step(self, *args):
2905  """set_time_step(Simulator self, double ts)"""
2906  return _IMP_atom.Simulator_set_time_step(self, *args)
2907 
2908  def get_kt(self):
2909  """get_kt(Simulator self) -> double"""
2910  return _IMP_atom.Simulator_get_kt(self)
2911 
2912  def get_current_time(self):
2913  """get_current_time(Simulator self) -> double"""
2914  return _IMP_atom.Simulator_get_current_time(self)
2915 
2916  def set_current_time(self, *args):
2917  """set_current_time(Simulator self, double ct)"""
2918  return _IMP_atom.Simulator_set_current_time(self, *args)
2919 
2920  def get_simulation_particles(self):
2921  """get_simulation_particles(Simulator self) -> IMP::kernel::ParticlesTemp"""
2922  return _IMP_atom.Simulator_get_simulation_particles(self)
2923 
2924  def get_simulation_particle_indexes(self):
2925  """get_simulation_particle_indexes(Simulator self) -> IMP::kernel::ParticleIndexes"""
2926  return _IMP_atom.Simulator_get_simulation_particle_indexes(self)
2927 
2928  def remove_particle(self, *args):
2929  """remove_particle(Simulator self, Particle d)"""
2930  return _IMP_atom.Simulator_remove_particle(self, *args)
2931 
2932  def remove_particles(self, *args):
2933  """remove_particles(Simulator self, IMP::kernel::Particles const & d)"""
2934  return _IMP_atom.Simulator_remove_particles(self, *args)
2935 
2936  def set_particles(self, *args):
2937  """set_particles(Simulator self, IMP::kernel::Particles const & ps)"""
2938  return _IMP_atom.Simulator_set_particles(self, *args)
2939 
2940  def set_particles_order(self, *args):
2941  """set_particles_order(Simulator self, IMP::kernel::Particles const & objs)"""
2942  return _IMP_atom.Simulator_set_particles_order(self, *args)
2943 
2944  def add_particle(self, *args):
2945  """add_particle(Simulator self, Particle obj) -> unsigned int"""
2946  return _IMP_atom.Simulator_add_particle(self, *args)
2947 
2948  def add_particles(self, *args):
2949  """add_particles(Simulator self, IMP::kernel::Particles const & objs)"""
2950  return _IMP_atom.Simulator_add_particles(self, *args)
2951 
2952  def clear_particles(self):
2953  """clear_particles(Simulator self)"""
2954  return _IMP_atom.Simulator_clear_particles(self)
2955 
2956  def get_number_of_particles(self):
2957  """get_number_of_particles(Simulator self) -> unsigned int"""
2958  return _IMP_atom.Simulator_get_number_of_particles(self)
2959 
2960  def get_has_particles(self):
2961  """get_has_particles(Simulator self) -> bool"""
2962  return _IMP_atom.Simulator_get_has_particles(self)
2963 
2964  def get_particle(self, *args):
2965  """get_particle(Simulator self, unsigned int i) -> Particle"""
2966  return _IMP_atom.Simulator_get_particle(self, *args)
2967 
2968  def get_particles(self):
2969  """get_particles(Simulator self) -> IMP::kernel::Particles"""
2970  return _IMP_atom.Simulator_get_particles(self)
2971 
2972  def reserve_particles(self, *args):
2973  """reserve_particles(Simulator self, unsigned int sz)"""
2974  return _IMP_atom.Simulator_reserve_particles(self, *args)
2975 
2976  def do_optimize(self, *args):
2977  """do_optimize(Simulator self, unsigned int max_steps) -> IMP::Float"""
2978  return _IMP_atom.Simulator_do_optimize(self, *args)
2979 
2980  def setup(self, *args):
2981  """setup(Simulator self, IMP::kernel::ParticleIndexes const & arg0)"""
2982  return _IMP_atom.Simulator_setup(self, *args)
2983 
2984  def do_step(self, *args):
2985  """do_step(Simulator self, IMP::kernel::ParticleIndexes const & sc, double dt) -> double"""
2986  return _IMP_atom.Simulator_do_step(self, *args)
2987 
2988  def get_is_simulation_particle(self, *args):
2989  """get_is_simulation_particle(Simulator self, IMP::kernel::ParticleIndex p) -> bool"""
2990  return _IMP_atom.Simulator_get_is_simulation_particle(self, *args)
2991 
2992  def __str__(self):
2993  """__str__(Simulator self) -> std::string"""
2994  return _IMP_atom.Simulator___str__(self)
2995 
2996  def __repr__(self):
2997  """__repr__(Simulator self) -> std::string"""
2998  return _IMP_atom.Simulator___repr__(self)
2999 
3000  def get_from(o):
3001  return _object_cast_to_Simulator(o)
3002  get_from = staticmethod(get_from)
3003 
3004  def get_type_name(self):
3005  return self.__class__.__name__
3006  def do_show(self, out):
3007  pass
3008  def get_version_info(self):
3009  if"IMP::atom" == "IMP":
3010  return VersionInfo("python", "0")
3011  else:
3012  return IMP.VersionInfo("python", "0")
3013  def get_from(o):
3014  return _object_cast_to_Simulator(o)
3015  get_from = staticmethod(get_from)
3016 
3017  __swig_destroy__ = _IMP_atom.delete_Simulator
3018  __del__ = lambda self : None;
3019  def __disown__(self):
3020  self.this.disown()
3021  _IMP_atom.disown_Simulator(self)
3022  return weakref_proxy(self)
3023  def do_destroy(self):
3024  """do_destroy(Simulator self)"""
3025  return _IMP_atom.Simulator_do_destroy(self)
3026 
3027  def handle_set_has_required_score_states(self, *args):
3028  """handle_set_has_required_score_states(Simulator self, bool arg0)"""
3029  return _IMP_atom.Simulator_handle_set_has_required_score_states(self, *args)
3030 
3031  def do_get_inputs(self):
3032  """do_get_inputs(Simulator self) -> IMP::kernel::ModelObjectsTemp"""
3033  return _IMP_atom.Simulator_do_get_inputs(self)
3034 
3035  def do_get_outputs(self):
3036  """do_get_outputs(Simulator self) -> IMP::kernel::ModelObjectsTemp"""
3037  return _IMP_atom.Simulator_do_get_outputs(self)
3038 
3039  def do_get_interactions(self):
3040  """do_get_interactions(Simulator self) -> IMP::kernel::ModelObjectsTemps"""
3041  return _IMP_atom.Simulator_do_get_interactions(self)
3042 
3043 Simulator_swigregister = _IMP_atom.Simulator_swigregister
3044 Simulator_swigregister(Simulator)
3045 
3046 
3047 def get_energy_in_femto_joules(*args):
3048  """get_energy_in_femto_joules(double energy_in_kcal_per_mol) -> double"""
3049  return _IMP_atom.get_energy_in_femto_joules(*args)
3050 
3051 def get_force_in_femto_newtons(*args):
3052  """get_force_in_femto_newtons(double force_in_kcal_per_mol_per_angstrom) -> double"""
3053  return _IMP_atom.get_force_in_femto_newtons(*args)
3054 
3055 def get_spring_constant_in_femto_newtons_per_angstrom(*args):
3056  """get_spring_constant_in_femto_newtons_per_angstrom(double k_in_kcal_per_mol_per_angstrom_square) -> double"""
3057  return _IMP_atom.get_spring_constant_in_femto_newtons_per_angstrom(*args)
3058 class BrownianDynamics(Simulator):
3059  """Proxy of C++ IMP::atom::BrownianDynamics class"""
3060  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3061  def __init__(self, *args):
3062  """
3063  __init__(IMP::atom::BrownianDynamics self, Model m, std::string name="BrownianDynamics%1%", double wave_factor=1.0) -> BrownianDynamics
3064  __init__(IMP::atom::BrownianDynamics self, Model m, std::string name="BrownianDynamics%1%") -> BrownianDynamics
3065  __init__(IMP::atom::BrownianDynamics self, Model m) -> BrownianDynamics
3066  """
3067  this = _IMP_atom.new_BrownianDynamics(*args)
3068  try: self.this.append(this)
3069  except: self.this = this
3070  def set_maximum_move(self, *args):
3071  """set_maximum_move(BrownianDynamics self, double ms)"""
3072  return _IMP_atom.BrownianDynamics_set_maximum_move(self, *args)
3073 
3074  def set_use_stochastic_runge_kutta(self, *args):
3075  """set_use_stochastic_runge_kutta(BrownianDynamics self, bool tf)"""
3076  return _IMP_atom.BrownianDynamics_set_use_stochastic_runge_kutta(self, *args)
3077 
3078  def get_version_info(self):
3079  """get_version_info(BrownianDynamics self) -> VersionInfo"""
3080  return _IMP_atom.BrownianDynamics_get_version_info(self)
3081 
3082  def __str__(self):
3083  """__str__(BrownianDynamics self) -> std::string"""
3084  return _IMP_atom.BrownianDynamics___str__(self)
3085 
3086  def __repr__(self):
3087  """__repr__(BrownianDynamics self) -> std::string"""
3088  return _IMP_atom.BrownianDynamics___repr__(self)
3089 
3090  def get_from(o):
3091  return _object_cast_to_BrownianDynamics(o)
3092  get_from = staticmethod(get_from)
3093 
3094 BrownianDynamics_swigregister = _IMP_atom.BrownianDynamics_swigregister
3095 BrownianDynamics_swigregister(BrownianDynamics)
3096 
3097 
3099  """get_maximum_time_step_estimate(BrownianDynamics bd) -> double"""
3100  return _IMP_atom.get_maximum_time_step_estimate(*args)
3101 
3102 def get_harmonic_sigma(*args):
3103  """get_harmonic_sigma(double D, double f) -> double"""
3104  return _IMP_atom.get_harmonic_sigma(*args)
3105 class Diffusion(IMP.core.XYZ):
3106  """Proxy of C++ IMP::atom::Diffusion class"""
3107  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3108  def __init__(self, *args):
3109  """
3110  __init__(IMP::atom::Diffusion self) -> Diffusion
3111  __init__(IMP::atom::Diffusion self, Model m, ::IMP::kernel::ParticleIndex id) -> Diffusion
3112  __init__(IMP::atom::Diffusion self, _ParticleAdaptor d) -> Diffusion
3113  """
3114  this = _IMP_atom.new_Diffusion(*args)
3115  try: self.this.append(this)
3116  except: self.this = this
3117  def show(self, *args):
3118  """
3119  show(Diffusion self, _ostream out=std::cout)
3120  show(Diffusion self)
3121  """
3122  return _IMP_atom.Diffusion_show(self, *args)
3123 
3124  def setup_particle(*args):
3125  """
3126  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Float D) -> Diffusion
3127  setup_particle(_ParticleAdaptor decorator, IMP::Float D) -> Diffusion
3128  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Vector3D v, IMP::Float D) -> Diffusion
3129  setup_particle(_ParticleAdaptor decorator, Vector3D v, IMP::Float D) -> Diffusion
3130  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> Diffusion
3131  setup_particle(_ParticleAdaptor decorator) -> Diffusion
3132  """
3133  return _IMP_atom.Diffusion_setup_particle(*args)
3134 
3135  setup_particle = staticmethod(setup_particle)
3136  def get_is_setup(*args):
3137  """
3138  get_is_setup(_ParticleAdaptor p) -> bool
3139  get_is_setup(Model m, IMP::kernel::ParticleIndex p) -> bool
3140  """
3141  return _IMP_atom.Diffusion_get_is_setup(*args)
3142 
3143  get_is_setup = staticmethod(get_is_setup)
3144  def set_diffusion_coefficient(self, *args):
3145  """set_diffusion_coefficient(Diffusion self, double d)"""
3146  return _IMP_atom.Diffusion_set_diffusion_coefficient(self, *args)
3147 
3148  def get_diffusion_coefficient(self):
3149  """get_diffusion_coefficient(Diffusion self) -> double"""
3150  return _IMP_atom.Diffusion_get_diffusion_coefficient(self)
3151 
3152  def get_diffusion_coefficient_key():
3153  """get_diffusion_coefficient_key() -> FloatKey"""
3154  return _IMP_atom.Diffusion_get_diffusion_coefficient_key()
3155 
3156  get_diffusion_coefficient_key = staticmethod(get_diffusion_coefficient_key)
3157  def add_attribute(self, *args):
3158  """
3159  add_attribute(Diffusion self, FloatKey k, IMP::Float v, bool opt)
3160  add_attribute(Diffusion self, FloatKey a0, IMP::Float a1)
3161  add_attribute(Diffusion self, IntKey a0, IMP::Int a1)
3162  add_attribute(Diffusion self, StringKey a0, IMP::String a1)
3163  add_attribute(Diffusion self, ParticleIndexKey a0, Particle a1)
3164  add_attribute(Diffusion self, ObjectKey a0, Object a1)
3165  """
3166  return _IMP_atom.Diffusion_add_attribute(self, *args)
3167 
3168  def get_value(self, *args):
3169  """
3170  get_value(Diffusion self, FloatKey a0) -> IMP::Float
3171  get_value(Diffusion self, IntKey a0) -> IMP::Int
3172  get_value(Diffusion self, StringKey a0) -> IMP::String
3173  get_value(Diffusion self, ParticleIndexKey a0) -> Particle
3174  get_value(Diffusion self, ObjectKey a0) -> Object
3175  """
3176  return _IMP_atom.Diffusion_get_value(self, *args)
3177 
3178  def set_value(self, *args):
3179  """
3180  set_value(Diffusion self, FloatKey a0, IMP::Float a1)
3181  set_value(Diffusion self, IntKey a0, IMP::Int a1)
3182  set_value(Diffusion self, StringKey a0, IMP::String a1)
3183  set_value(Diffusion self, ParticleIndexKey a0, Particle a1)
3184  set_value(Diffusion self, ObjectKey a0, Object a1)
3185  """
3186  return _IMP_atom.Diffusion_set_value(self, *args)
3187 
3188  def remove_attribute(self, *args):
3189  """
3190  remove_attribute(Diffusion self, FloatKey a0)
3191  remove_attribute(Diffusion self, IntKey a0)
3192  remove_attribute(Diffusion self, StringKey a0)
3193  remove_attribute(Diffusion self, ParticleIndexKey a0)
3194  remove_attribute(Diffusion self, ObjectKey a0)
3195  """
3196  return _IMP_atom.Diffusion_remove_attribute(self, *args)
3197 
3198  def has_attribute(self, *args):
3199  """
3200  has_attribute(Diffusion self, FloatKey a0) -> bool
3201  has_attribute(Diffusion self, IntKey a0) -> bool
3202  has_attribute(Diffusion self, StringKey a0) -> bool
3203  has_attribute(Diffusion self, ParticleIndexKey a0) -> bool
3204  has_attribute(Diffusion self, ObjectKey a0) -> bool
3205  """
3206  return _IMP_atom.Diffusion_has_attribute(self, *args)
3207 
3208  def get_derivative(self, *args):
3209  """get_derivative(Diffusion self, FloatKey a0) -> double"""
3210  return _IMP_atom.Diffusion_get_derivative(self, *args)
3211 
3212  def get_name(self):
3213  """get_name(Diffusion self) -> std::string"""
3214  return _IMP_atom.Diffusion_get_name(self)
3215 
3216  def clear_caches(self):
3217  """clear_caches(Diffusion self)"""
3218  return _IMP_atom.Diffusion_clear_caches(self)
3219 
3220  def set_name(self, *args):
3221  """set_name(Diffusion self, std::string a0)"""
3222  return _IMP_atom.Diffusion_set_name(self, *args)
3223 
3224  def set_check_level(self, *args):
3225  """set_check_level(Diffusion self, IMP::base::CheckLevel a0)"""
3226  return _IMP_atom.Diffusion_set_check_level(self, *args)
3227 
3228  def add_to_derivative(self, *args):
3229  """add_to_derivative(Diffusion self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3230  return _IMP_atom.Diffusion_add_to_derivative(self, *args)
3231 
3232  def set_is_optimized(self, *args):
3233  """set_is_optimized(Diffusion self, FloatKey a0, bool a1)"""
3234  return _IMP_atom.Diffusion_set_is_optimized(self, *args)
3235 
3236  def get_is_optimized(self, *args):
3237  """get_is_optimized(Diffusion self, FloatKey a0) -> bool"""
3238  return _IMP_atom.Diffusion_get_is_optimized(self, *args)
3239 
3240  def get_check_level(self):
3241  """get_check_level(Diffusion self) -> IMP::base::CheckLevel"""
3242  return _IMP_atom.Diffusion_get_check_level(self)
3243 
3244  def __eq__(self, *args):
3245  """
3246  __eq__(Diffusion self, Diffusion o) -> bool
3247  __eq__(Diffusion self, Particle d) -> bool
3248  """
3249  return _IMP_atom.Diffusion___eq__(self, *args)
3250 
3251  def __ne__(self, *args):
3252  """
3253  __ne__(Diffusion self, Diffusion o) -> bool
3254  __ne__(Diffusion self, Particle d) -> bool
3255  """
3256  return _IMP_atom.Diffusion___ne__(self, *args)
3257 
3258  def __le__(self, *args):
3259  """
3260  __le__(Diffusion self, Diffusion o) -> bool
3261  __le__(Diffusion self, Particle d) -> bool
3262  """
3263  return _IMP_atom.Diffusion___le__(self, *args)
3264 
3265  def __lt__(self, *args):
3266  """
3267  __lt__(Diffusion self, Diffusion o) -> bool
3268  __lt__(Diffusion self, Particle d) -> bool
3269  """
3270  return _IMP_atom.Diffusion___lt__(self, *args)
3271 
3272  def __ge__(self, *args):
3273  """
3274  __ge__(Diffusion self, Diffusion o) -> bool
3275  __ge__(Diffusion self, Particle d) -> bool
3276  """
3277  return _IMP_atom.Diffusion___ge__(self, *args)
3278 
3279  def __gt__(self, *args):
3280  """
3281  __gt__(Diffusion self, Diffusion o) -> bool
3282  __gt__(Diffusion self, Particle d) -> bool
3283  """
3284  return _IMP_atom.Diffusion___gt__(self, *args)
3285 
3286  def __hash__(self):
3287  """__hash__(Diffusion self) -> std::size_t"""
3288  return _IMP_atom.Diffusion___hash__(self)
3289 
3290  def __str__(self):
3291  """__str__(Diffusion self) -> std::string"""
3292  return _IMP_atom.Diffusion___str__(self)
3293 
3294  def __repr__(self):
3295  """__repr__(Diffusion self) -> std::string"""
3296  return _IMP_atom.Diffusion___repr__(self)
3297 
3298  __swig_destroy__ = _IMP_atom.delete_Diffusion
3299  __del__ = lambda self : None;
3300 Diffusion_swigregister = _IMP_atom.Diffusion_swigregister
3301 Diffusion_swigregister(Diffusion)
3302 
3303 def Diffusion_setup_particle(*args):
3304  """
3305  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Float D) -> Diffusion
3306  setup_particle(_ParticleAdaptor decorator, IMP::Float D) -> Diffusion
3307  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Vector3D v, IMP::Float D) -> Diffusion
3308  setup_particle(_ParticleAdaptor decorator, Vector3D v, IMP::Float D) -> Diffusion
3309  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> Diffusion
3310  Diffusion_setup_particle(_ParticleAdaptor decorator) -> Diffusion
3311  """
3312  return _IMP_atom.Diffusion_setup_particle(*args)
3313 
3314 def Diffusion_get_is_setup(*args):
3315  """
3316  get_is_setup(_ParticleAdaptor p) -> bool
3317  Diffusion_get_is_setup(Model m, IMP::kernel::ParticleIndex p) -> bool
3318  """
3319  return _IMP_atom.Diffusion_get_is_setup(*args)
3320 
3321 def Diffusion_get_diffusion_coefficient_key():
3322  """Diffusion_get_diffusion_coefficient_key() -> FloatKey"""
3323  return _IMP_atom.Diffusion_get_diffusion_coefficient_key()
3324 
3325 
3326 def get_diffusion_coefficient_from_cm2_per_second(*args):
3327  """get_diffusion_coefficient_from_cm2_per_second(double din) -> double"""
3328  return _IMP_atom.get_diffusion_coefficient_from_cm2_per_second(*args)
3329 class RigidBodyDiffusion(Diffusion):
3330  """Proxy of C++ IMP::atom::RigidBodyDiffusion class"""
3331  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3332  def __init__(self, *args):
3333  """
3334  __init__(IMP::atom::RigidBodyDiffusion self) -> RigidBodyDiffusion
3335  __init__(IMP::atom::RigidBodyDiffusion self, Model m, ::IMP::kernel::ParticleIndex id) -> RigidBodyDiffusion
3336  __init__(IMP::atom::RigidBodyDiffusion self, _ParticleAdaptor d) -> RigidBodyDiffusion
3337  """
3338  this = _IMP_atom.new_RigidBodyDiffusion(*args)
3339  try: self.this.append(this)
3340  except: self.this = this
3341  def show(self, *args):
3342  """
3343  show(RigidBodyDiffusion self, _ostream out=std::cout)
3344  show(RigidBodyDiffusion self)
3345  """
3346  return _IMP_atom.RigidBodyDiffusion_show(self, *args)
3347 
3348  def setup_particle(*args):
3349  """
3350  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> RigidBodyDiffusion
3351  setup_particle(_ParticleAdaptor decorator) -> RigidBodyDiffusion
3352  """
3353  return _IMP_atom.RigidBodyDiffusion_setup_particle(*args)
3354 
3355  setup_particle = staticmethod(setup_particle)
3357  """get_rotational_diffusion_coefficient(RigidBodyDiffusion self) -> double"""
3358  return _IMP_atom.RigidBodyDiffusion_get_rotational_diffusion_coefficient(self)
3359 
3360  def set_rotational_diffusion_coefficient(self, *args):
3361  """set_rotational_diffusion_coefficient(RigidBodyDiffusion self, double d)"""
3362  return _IMP_atom.RigidBodyDiffusion_set_rotational_diffusion_coefficient(self, *args)
3363 
3364  def get_is_setup(*args):
3365  """
3366  get_is_setup(_ParticleAdaptor p) -> bool
3367  get_is_setup(Model m, IMP::kernel::ParticleIndex p) -> bool
3368  """
3369  return _IMP_atom.RigidBodyDiffusion_get_is_setup(*args)
3370 
3371  get_is_setup = staticmethod(get_is_setup)
3372  def get_rotational_diffusion_coefficient_key():
3373  """get_rotational_diffusion_coefficient_key() -> FloatKey"""
3374  return _IMP_atom.RigidBodyDiffusion_get_rotational_diffusion_coefficient_key()
3375 
3376  get_rotational_diffusion_coefficient_key = staticmethod(get_rotational_diffusion_coefficient_key)
3377  def add_attribute(self, *args):
3378  """
3379  add_attribute(RigidBodyDiffusion self, FloatKey k, IMP::Float v, bool opt)
3380  add_attribute(RigidBodyDiffusion self, FloatKey a0, IMP::Float a1)
3381  add_attribute(RigidBodyDiffusion self, IntKey a0, IMP::Int a1)
3382  add_attribute(RigidBodyDiffusion self, StringKey a0, IMP::String a1)
3383  add_attribute(RigidBodyDiffusion self, ParticleIndexKey a0, Particle a1)
3384  add_attribute(RigidBodyDiffusion self, ObjectKey a0, Object a1)
3385  """
3386  return _IMP_atom.RigidBodyDiffusion_add_attribute(self, *args)
3387 
3388  def get_value(self, *args):
3389  """
3390  get_value(RigidBodyDiffusion self, FloatKey a0) -> IMP::Float
3391  get_value(RigidBodyDiffusion self, IntKey a0) -> IMP::Int
3392  get_value(RigidBodyDiffusion self, StringKey a0) -> IMP::String
3393  get_value(RigidBodyDiffusion self, ParticleIndexKey a0) -> Particle
3394  get_value(RigidBodyDiffusion self, ObjectKey a0) -> Object
3395  """
3396  return _IMP_atom.RigidBodyDiffusion_get_value(self, *args)
3397 
3398  def set_value(self, *args):
3399  """
3400  set_value(RigidBodyDiffusion self, FloatKey a0, IMP::Float a1)
3401  set_value(RigidBodyDiffusion self, IntKey a0, IMP::Int a1)
3402  set_value(RigidBodyDiffusion self, StringKey a0, IMP::String a1)
3403  set_value(RigidBodyDiffusion self, ParticleIndexKey a0, Particle a1)
3404  set_value(RigidBodyDiffusion self, ObjectKey a0, Object a1)
3405  """
3406  return _IMP_atom.RigidBodyDiffusion_set_value(self, *args)
3407 
3408  def remove_attribute(self, *args):
3409  """
3410  remove_attribute(RigidBodyDiffusion self, FloatKey a0)
3411  remove_attribute(RigidBodyDiffusion self, IntKey a0)
3412  remove_attribute(RigidBodyDiffusion self, StringKey a0)
3413  remove_attribute(RigidBodyDiffusion self, ParticleIndexKey a0)
3414  remove_attribute(RigidBodyDiffusion self, ObjectKey a0)
3415  """
3416  return _IMP_atom.RigidBodyDiffusion_remove_attribute(self, *args)
3417 
3418  def has_attribute(self, *args):
3419  """
3420  has_attribute(RigidBodyDiffusion self, FloatKey a0) -> bool
3421  has_attribute(RigidBodyDiffusion self, IntKey a0) -> bool
3422  has_attribute(RigidBodyDiffusion self, StringKey a0) -> bool
3423  has_attribute(RigidBodyDiffusion self, ParticleIndexKey a0) -> bool
3424  has_attribute(RigidBodyDiffusion self, ObjectKey a0) -> bool
3425  """
3426  return _IMP_atom.RigidBodyDiffusion_has_attribute(self, *args)
3427 
3428  def get_derivative(self, *args):
3429  """get_derivative(RigidBodyDiffusion self, FloatKey a0) -> double"""
3430  return _IMP_atom.RigidBodyDiffusion_get_derivative(self, *args)
3431 
3432  def get_name(self):
3433  """get_name(RigidBodyDiffusion self) -> std::string"""
3434  return _IMP_atom.RigidBodyDiffusion_get_name(self)
3435 
3436  def clear_caches(self):
3437  """clear_caches(RigidBodyDiffusion self)"""
3438  return _IMP_atom.RigidBodyDiffusion_clear_caches(self)
3439 
3440  def set_name(self, *args):
3441  """set_name(RigidBodyDiffusion self, std::string a0)"""
3442  return _IMP_atom.RigidBodyDiffusion_set_name(self, *args)
3443 
3444  def set_check_level(self, *args):
3445  """set_check_level(RigidBodyDiffusion self, IMP::base::CheckLevel a0)"""
3446  return _IMP_atom.RigidBodyDiffusion_set_check_level(self, *args)
3447 
3448  def add_to_derivative(self, *args):
3449  """add_to_derivative(RigidBodyDiffusion self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3450  return _IMP_atom.RigidBodyDiffusion_add_to_derivative(self, *args)
3451 
3452  def set_is_optimized(self, *args):
3453  """set_is_optimized(RigidBodyDiffusion self, FloatKey a0, bool a1)"""
3454  return _IMP_atom.RigidBodyDiffusion_set_is_optimized(self, *args)
3455 
3456  def get_is_optimized(self, *args):
3457  """get_is_optimized(RigidBodyDiffusion self, FloatKey a0) -> bool"""
3458  return _IMP_atom.RigidBodyDiffusion_get_is_optimized(self, *args)
3459 
3460  def get_check_level(self):
3461  """get_check_level(RigidBodyDiffusion self) -> IMP::base::CheckLevel"""
3462  return _IMP_atom.RigidBodyDiffusion_get_check_level(self)
3463 
3464  def __eq__(self, *args):
3465  """
3466  __eq__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
3467  __eq__(RigidBodyDiffusion self, Particle d) -> bool
3468  """
3469  return _IMP_atom.RigidBodyDiffusion___eq__(self, *args)
3470 
3471  def __ne__(self, *args):
3472  """
3473  __ne__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
3474  __ne__(RigidBodyDiffusion self, Particle d) -> bool
3475  """
3476  return _IMP_atom.RigidBodyDiffusion___ne__(self, *args)
3477 
3478  def __le__(self, *args):
3479  """
3480  __le__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
3481  __le__(RigidBodyDiffusion self, Particle d) -> bool
3482  """
3483  return _IMP_atom.RigidBodyDiffusion___le__(self, *args)
3484 
3485  def __lt__(self, *args):
3486  """
3487  __lt__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
3488  __lt__(RigidBodyDiffusion self, Particle d) -> bool
3489  """
3490  return _IMP_atom.RigidBodyDiffusion___lt__(self, *args)
3491 
3492  def __ge__(self, *args):
3493  """
3494  __ge__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
3495  __ge__(RigidBodyDiffusion self, Particle d) -> bool
3496  """
3497  return _IMP_atom.RigidBodyDiffusion___ge__(self, *args)
3498 
3499  def __gt__(self, *args):
3500  """
3501  __gt__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
3502  __gt__(RigidBodyDiffusion self, Particle d) -> bool
3503  """
3504  return _IMP_atom.RigidBodyDiffusion___gt__(self, *args)
3505 
3506  def __hash__(self):
3507  """__hash__(RigidBodyDiffusion self) -> std::size_t"""
3508  return _IMP_atom.RigidBodyDiffusion___hash__(self)
3509 
3510  def __str__(self):
3511  """__str__(RigidBodyDiffusion self) -> std::string"""
3512  return _IMP_atom.RigidBodyDiffusion___str__(self)
3513 
3514  def __repr__(self):
3515  """__repr__(RigidBodyDiffusion self) -> std::string"""
3516  return _IMP_atom.RigidBodyDiffusion___repr__(self)
3517 
3518  __swig_destroy__ = _IMP_atom.delete_RigidBodyDiffusion
3519  __del__ = lambda self : None;
3520 RigidBodyDiffusion_swigregister = _IMP_atom.RigidBodyDiffusion_swigregister
3521 RigidBodyDiffusion_swigregister(RigidBodyDiffusion)
3522 
3523 def RigidBodyDiffusion_setup_particle(*args):
3524  """
3525  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> RigidBodyDiffusion
3526  RigidBodyDiffusion_setup_particle(_ParticleAdaptor decorator) -> RigidBodyDiffusion
3527  """
3528  return _IMP_atom.RigidBodyDiffusion_setup_particle(*args)
3529 
3530 def RigidBodyDiffusion_get_is_setup(*args):
3531  """
3532  get_is_setup(_ParticleAdaptor p) -> bool
3533  RigidBodyDiffusion_get_is_setup(Model m, IMP::kernel::ParticleIndex p) -> bool
3534  """
3535  return _IMP_atom.RigidBodyDiffusion_get_is_setup(*args)
3536 
3537 def RigidBodyDiffusion_get_rotational_diffusion_coefficient_key():
3538  """RigidBodyDiffusion_get_rotational_diffusion_coefficient_key() -> FloatKey"""
3539  return _IMP_atom.RigidBodyDiffusion_get_rotational_diffusion_coefficient_key()
3540 
3541 class Chain(Hierarchy):
3542  """Proxy of C++ IMP::atom::Chain class"""
3543  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3544  def __init__(self, *args):
3545  """
3546  __init__(IMP::atom::Chain self) -> Chain
3547  __init__(IMP::atom::Chain self, Model m, ::IMP::kernel::ParticleIndex id) -> Chain
3548  __init__(IMP::atom::Chain self, _ParticleAdaptor d) -> Chain
3549  """
3550  this = _IMP_atom.new_Chain(*args)
3551  try: self.this.append(this)
3552  except: self.this = this
3553  def show(self, *args):
3554  """
3555  show(Chain self, _ostream out=std::cout)
3556  show(Chain self)
3557  """
3558  return _IMP_atom.Chain_show(self, *args)
3559 
3560  def setup_particle(*args):
3561  """
3562  setup_particle(Model m, IMP::kernel::ParticleIndex pi, std::string id) -> Chain
3563  setup_particle(_ParticleAdaptor decorator, std::string id) -> Chain
3564  setup_particle(Model m, IMP::kernel::ParticleIndex pi, char id) -> Chain
3565  setup_particle(_ParticleAdaptor decorator, char id) -> Chain
3566  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Chain other) -> Chain
3567  setup_particle(_ParticleAdaptor decorator, Chain other) -> Chain
3568  """
3569  return _IMP_atom.Chain_setup_particle(*args)
3570 
3571  setup_particle = staticmethod(setup_particle)
3572  def get_is_setup(*args):
3573  """
3574  get_is_setup(_ParticleAdaptor p) -> bool
3575  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
3576  """
3577  return _IMP_atom.Chain_get_is_setup(*args)
3578 
3579  get_is_setup = staticmethod(get_is_setup)
3580  def get_id(self):
3581  """get_id(Chain self) -> std::string"""
3582  return _IMP_atom.Chain_get_id(self)
3583 
3584  def get_id_char(self):
3585  """get_id_char(Chain self) -> char"""
3586  return _IMP_atom.Chain_get_id_char(self)
3587 
3588  def set_id(self, *args):
3589  """set_id(Chain self, std::string c)"""
3590  return _IMP_atom.Chain_set_id(self, *args)
3591 
3592  def get_id_key():
3593  """get_id_key() -> StringKey"""
3594  return _IMP_atom.Chain_get_id_key()
3595 
3596  get_id_key = staticmethod(get_id_key)
3597  def add_attribute(self, *args):
3598  """
3599  add_attribute(Chain self, FloatKey k, IMP::Float v, bool opt)
3600  add_attribute(Chain self, FloatKey a0, IMP::Float a1)
3601  add_attribute(Chain self, IntKey a0, IMP::Int a1)
3602  add_attribute(Chain self, StringKey a0, IMP::String a1)
3603  add_attribute(Chain self, ParticleIndexKey a0, Particle a1)
3604  add_attribute(Chain self, ObjectKey a0, Object a1)
3605  """
3606  return _IMP_atom.Chain_add_attribute(self, *args)
3607 
3608  def get_value(self, *args):
3609  """
3610  get_value(Chain self, FloatKey a0) -> IMP::Float
3611  get_value(Chain self, IntKey a0) -> IMP::Int
3612  get_value(Chain self, StringKey a0) -> IMP::String
3613  get_value(Chain self, ParticleIndexKey a0) -> Particle
3614  get_value(Chain self, ObjectKey a0) -> Object
3615  """
3616  return _IMP_atom.Chain_get_value(self, *args)
3617 
3618  def set_value(self, *args):
3619  """
3620  set_value(Chain self, FloatKey a0, IMP::Float a1)
3621  set_value(Chain self, IntKey a0, IMP::Int a1)
3622  set_value(Chain self, StringKey a0, IMP::String a1)
3623  set_value(Chain self, ParticleIndexKey a0, Particle a1)
3624  set_value(Chain self, ObjectKey a0, Object a1)
3625  """
3626  return _IMP_atom.Chain_set_value(self, *args)
3627 
3628  def remove_attribute(self, *args):
3629  """
3630  remove_attribute(Chain self, FloatKey a0)
3631  remove_attribute(Chain self, IntKey a0)
3632  remove_attribute(Chain self, StringKey a0)
3633  remove_attribute(Chain self, ParticleIndexKey a0)
3634  remove_attribute(Chain self, ObjectKey a0)
3635  """
3636  return _IMP_atom.Chain_remove_attribute(self, *args)
3637 
3638  def has_attribute(self, *args):
3639  """
3640  has_attribute(Chain self, FloatKey a0) -> bool
3641  has_attribute(Chain self, IntKey a0) -> bool
3642  has_attribute(Chain self, StringKey a0) -> bool
3643  has_attribute(Chain self, ParticleIndexKey a0) -> bool
3644  has_attribute(Chain self, ObjectKey a0) -> bool
3645  """
3646  return _IMP_atom.Chain_has_attribute(self, *args)
3647 
3648  def get_derivative(self, *args):
3649  """get_derivative(Chain self, FloatKey a0) -> double"""
3650  return _IMP_atom.Chain_get_derivative(self, *args)
3651 
3652  def get_name(self):
3653  """get_name(Chain self) -> std::string"""
3654  return _IMP_atom.Chain_get_name(self)
3655 
3656  def clear_caches(self):
3657  """clear_caches(Chain self)"""
3658  return _IMP_atom.Chain_clear_caches(self)
3659 
3660  def set_name(self, *args):
3661  """set_name(Chain self, std::string a0)"""
3662  return _IMP_atom.Chain_set_name(self, *args)
3663 
3664  def set_check_level(self, *args):
3665  """set_check_level(Chain self, IMP::base::CheckLevel a0)"""
3666  return _IMP_atom.Chain_set_check_level(self, *args)
3667 
3668  def add_to_derivative(self, *args):
3669  """add_to_derivative(Chain self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3670  return _IMP_atom.Chain_add_to_derivative(self, *args)
3671 
3672  def set_is_optimized(self, *args):
3673  """set_is_optimized(Chain self, FloatKey a0, bool a1)"""
3674  return _IMP_atom.Chain_set_is_optimized(self, *args)
3675 
3676  def get_is_optimized(self, *args):
3677  """get_is_optimized(Chain self, FloatKey a0) -> bool"""
3678  return _IMP_atom.Chain_get_is_optimized(self, *args)
3679 
3680  def get_check_level(self):
3681  """get_check_level(Chain self) -> IMP::base::CheckLevel"""
3682  return _IMP_atom.Chain_get_check_level(self)
3683 
3684  def __eq__(self, *args):
3685  """
3686  __eq__(Chain self, Chain o) -> bool
3687  __eq__(Chain self, Particle d) -> bool
3688  """
3689  return _IMP_atom.Chain___eq__(self, *args)
3690 
3691  def __ne__(self, *args):
3692  """
3693  __ne__(Chain self, Chain o) -> bool
3694  __ne__(Chain self, Particle d) -> bool
3695  """
3696  return _IMP_atom.Chain___ne__(self, *args)
3697 
3698  def __le__(self, *args):
3699  """
3700  __le__(Chain self, Chain o) -> bool
3701  __le__(Chain self, Particle d) -> bool
3702  """
3703  return _IMP_atom.Chain___le__(self, *args)
3704 
3705  def __lt__(self, *args):
3706  """
3707  __lt__(Chain self, Chain o) -> bool
3708  __lt__(Chain self, Particle d) -> bool
3709  """
3710  return _IMP_atom.Chain___lt__(self, *args)
3711 
3712  def __ge__(self, *args):
3713  """
3714  __ge__(Chain self, Chain o) -> bool
3715  __ge__(Chain self, Particle d) -> bool
3716  """
3717  return _IMP_atom.Chain___ge__(self, *args)
3718 
3719  def __gt__(self, *args):
3720  """
3721  __gt__(Chain self, Chain o) -> bool
3722  __gt__(Chain self, Particle d) -> bool
3723  """
3724  return _IMP_atom.Chain___gt__(self, *args)
3725 
3726  def __hash__(self):
3727  """__hash__(Chain self) -> std::size_t"""
3728  return _IMP_atom.Chain___hash__(self)
3729 
3730  def __str__(self):
3731  """__str__(Chain self) -> std::string"""
3732  return _IMP_atom.Chain___str__(self)
3733 
3734  def __repr__(self):
3735  """__repr__(Chain self) -> std::string"""
3736  return _IMP_atom.Chain___repr__(self)
3737 
3738  __swig_destroy__ = _IMP_atom.delete_Chain
3739  __del__ = lambda self : None;
3740 Chain_swigregister = _IMP_atom.Chain_swigregister
3741 Chain_swigregister(Chain)
3742 
3743 def Chain_setup_particle(*args):
3744  """
3745  setup_particle(Model m, IMP::kernel::ParticleIndex pi, std::string id) -> Chain
3746  setup_particle(_ParticleAdaptor decorator, std::string id) -> Chain
3747  setup_particle(Model m, IMP::kernel::ParticleIndex pi, char id) -> Chain
3748  setup_particle(_ParticleAdaptor decorator, char id) -> Chain
3749  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Chain other) -> Chain
3750  Chain_setup_particle(_ParticleAdaptor decorator, Chain other) -> Chain
3751  """
3752  return _IMP_atom.Chain_setup_particle(*args)
3753 
3754 def Chain_get_is_setup(*args):
3755  """
3756  get_is_setup(_ParticleAdaptor p) -> bool
3757  Chain_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
3758  """
3759  return _IMP_atom.Chain_get_is_setup(*args)
3760 
3761 def Chain_get_id_key():
3762  """Chain_get_id_key() -> StringKey"""
3763  return _IMP_atom.Chain_get_id_key()
3764 
3765 
3766 def get_chain(*args):
3767  """get_chain(Hierarchy h) -> Chain"""
3768  return _IMP_atom.get_chain(*args)
3769 
3770 def get_chain_id(*args):
3771  """get_chain_id(Hierarchy h) -> std::string"""
3772  return _IMP_atom.get_chain_id(*args)
3773 class Charged(IMP.core.XYZ):
3774  """Proxy of C++ IMP::atom::Charged class"""
3775  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3776  def __init__(self, *args):
3777  """
3778  __init__(IMP::atom::Charged self) -> Charged
3779  __init__(IMP::atom::Charged self, Model m, ::IMP::kernel::ParticleIndex id) -> Charged
3780  __init__(IMP::atom::Charged self, _ParticleAdaptor d) -> Charged
3781  """
3782  this = _IMP_atom.new_Charged(*args)
3783  try: self.this.append(this)
3784  except: self.this = this
3785  def show(self, *args):
3786  """
3787  show(Charged self, _ostream out=std::cout)
3788  show(Charged self)
3789  """
3790  return _IMP_atom.Charged_show(self, *args)
3791 
3792  def setup_particle(*args):
3793  """
3794  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Float charge) -> Charged
3795  setup_particle(_ParticleAdaptor decorator, IMP::Float charge) -> Charged
3796  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Vector3D v, IMP::Float charge) -> Charged
3797  setup_particle(_ParticleAdaptor decorator, Vector3D v, IMP::Float charge) -> Charged
3798  """
3799  return _IMP_atom.Charged_setup_particle(*args)
3800 
3801  setup_particle = staticmethod(setup_particle)
3802  def get_charge(self):
3803  """get_charge(Charged self) -> IMP::Float"""
3804  return _IMP_atom.Charged_get_charge(self)
3805 
3806  def set_charge(self, *args):
3807  """set_charge(Charged self, IMP::Float t)"""
3808  return _IMP_atom.Charged_set_charge(self, *args)
3809 
3810  def get_is_setup(*args):
3811  """
3812  get_is_setup(_ParticleAdaptor p) -> bool
3813  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
3814  """
3815  return _IMP_atom.Charged_get_is_setup(*args)
3816 
3817  get_is_setup = staticmethod(get_is_setup)
3818  def get_charge_key():
3819  """get_charge_key() -> FloatKey"""
3820  return _IMP_atom.Charged_get_charge_key()
3821 
3822  get_charge_key = staticmethod(get_charge_key)
3823  def add_attribute(self, *args):
3824  """
3825  add_attribute(Charged self, FloatKey k, IMP::Float v, bool opt)
3826  add_attribute(Charged self, FloatKey a0, IMP::Float a1)
3827  add_attribute(Charged self, IntKey a0, IMP::Int a1)
3828  add_attribute(Charged self, StringKey a0, IMP::String a1)
3829  add_attribute(Charged self, ParticleIndexKey a0, Particle a1)
3830  add_attribute(Charged self, ObjectKey a0, Object a1)
3831  """
3832  return _IMP_atom.Charged_add_attribute(self, *args)
3833 
3834  def get_value(self, *args):
3835  """
3836  get_value(Charged self, FloatKey a0) -> IMP::Float
3837  get_value(Charged self, IntKey a0) -> IMP::Int
3838  get_value(Charged self, StringKey a0) -> IMP::String
3839  get_value(Charged self, ParticleIndexKey a0) -> Particle
3840  get_value(Charged self, ObjectKey a0) -> Object
3841  """
3842  return _IMP_atom.Charged_get_value(self, *args)
3843 
3844  def set_value(self, *args):
3845  """
3846  set_value(Charged self, FloatKey a0, IMP::Float a1)
3847  set_value(Charged self, IntKey a0, IMP::Int a1)
3848  set_value(Charged self, StringKey a0, IMP::String a1)
3849  set_value(Charged self, ParticleIndexKey a0, Particle a1)
3850  set_value(Charged self, ObjectKey a0, Object a1)
3851  """
3852  return _IMP_atom.Charged_set_value(self, *args)
3853 
3854  def remove_attribute(self, *args):
3855  """
3856  remove_attribute(Charged self, FloatKey a0)
3857  remove_attribute(Charged self, IntKey a0)
3858  remove_attribute(Charged self, StringKey a0)
3859  remove_attribute(Charged self, ParticleIndexKey a0)
3860  remove_attribute(Charged self, ObjectKey a0)
3861  """
3862  return _IMP_atom.Charged_remove_attribute(self, *args)
3863 
3864  def has_attribute(self, *args):
3865  """
3866  has_attribute(Charged self, FloatKey a0) -> bool
3867  has_attribute(Charged self, IntKey a0) -> bool
3868  has_attribute(Charged self, StringKey a0) -> bool
3869  has_attribute(Charged self, ParticleIndexKey a0) -> bool
3870  has_attribute(Charged self, ObjectKey a0) -> bool
3871  """
3872  return _IMP_atom.Charged_has_attribute(self, *args)
3873 
3874  def get_derivative(self, *args):
3875  """get_derivative(Charged self, FloatKey a0) -> double"""
3876  return _IMP_atom.Charged_get_derivative(self, *args)
3877 
3878  def get_name(self):
3879  """get_name(Charged self) -> std::string"""
3880  return _IMP_atom.Charged_get_name(self)
3881 
3882  def clear_caches(self):
3883  """clear_caches(Charged self)"""
3884  return _IMP_atom.Charged_clear_caches(self)
3885 
3886  def set_name(self, *args):
3887  """set_name(Charged self, std::string a0)"""
3888  return _IMP_atom.Charged_set_name(self, *args)
3889 
3890  def set_check_level(self, *args):
3891  """set_check_level(Charged self, IMP::base::CheckLevel a0)"""
3892  return _IMP_atom.Charged_set_check_level(self, *args)
3893 
3894  def add_to_derivative(self, *args):
3895  """add_to_derivative(Charged self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3896  return _IMP_atom.Charged_add_to_derivative(self, *args)
3897 
3898  def set_is_optimized(self, *args):
3899  """set_is_optimized(Charged self, FloatKey a0, bool a1)"""
3900  return _IMP_atom.Charged_set_is_optimized(self, *args)
3901 
3902  def get_is_optimized(self, *args):
3903  """get_is_optimized(Charged self, FloatKey a0) -> bool"""
3904  return _IMP_atom.Charged_get_is_optimized(self, *args)
3905 
3906  def get_check_level(self):
3907  """get_check_level(Charged self) -> IMP::base::CheckLevel"""
3908  return _IMP_atom.Charged_get_check_level(self)
3909 
3910  def __eq__(self, *args):
3911  """
3912  __eq__(Charged self, Charged o) -> bool
3913  __eq__(Charged self, Particle d) -> bool
3914  """
3915  return _IMP_atom.Charged___eq__(self, *args)
3916 
3917  def __ne__(self, *args):
3918  """
3919  __ne__(Charged self, Charged o) -> bool
3920  __ne__(Charged self, Particle d) -> bool
3921  """
3922  return _IMP_atom.Charged___ne__(self, *args)
3923 
3924  def __le__(self, *args):
3925  """
3926  __le__(Charged self, Charged o) -> bool
3927  __le__(Charged self, Particle d) -> bool
3928  """
3929  return _IMP_atom.Charged___le__(self, *args)
3930 
3931  def __lt__(self, *args):
3932  """
3933  __lt__(Charged self, Charged o) -> bool
3934  __lt__(Charged self, Particle d) -> bool
3935  """
3936  return _IMP_atom.Charged___lt__(self, *args)
3937 
3938  def __ge__(self, *args):
3939  """
3940  __ge__(Charged self, Charged o) -> bool
3941  __ge__(Charged self, Particle d) -> bool
3942  """
3943  return _IMP_atom.Charged___ge__(self, *args)
3944 
3945  def __gt__(self, *args):
3946  """
3947  __gt__(Charged self, Charged o) -> bool
3948  __gt__(Charged self, Particle d) -> bool
3949  """
3950  return _IMP_atom.Charged___gt__(self, *args)
3951 
3952  def __hash__(self):
3953  """__hash__(Charged self) -> std::size_t"""
3954  return _IMP_atom.Charged___hash__(self)
3955 
3956  def __str__(self):
3957  """__str__(Charged self) -> std::string"""
3958  return _IMP_atom.Charged___str__(self)
3959 
3960  def __repr__(self):
3961  """__repr__(Charged self) -> std::string"""
3962  return _IMP_atom.Charged___repr__(self)
3963 
3964  __swig_destroy__ = _IMP_atom.delete_Charged
3965  __del__ = lambda self : None;
3966 Charged_swigregister = _IMP_atom.Charged_swigregister
3967 Charged_swigregister(Charged)
3968 
3969 def Charged_setup_particle(*args):
3970  """
3971  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Float charge) -> Charged
3972  setup_particle(_ParticleAdaptor decorator, IMP::Float charge) -> Charged
3973  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Vector3D v, IMP::Float charge) -> Charged
3974  Charged_setup_particle(_ParticleAdaptor decorator, Vector3D v, IMP::Float charge) -> Charged
3975  """
3976  return _IMP_atom.Charged_setup_particle(*args)
3977 
3978 def Charged_get_is_setup(*args):
3979  """
3980  get_is_setup(_ParticleAdaptor p) -> bool
3981  Charged_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
3982  """
3983  return _IMP_atom.Charged_get_is_setup(*args)
3984 
3985 def Charged_get_charge_key():
3986  """Charged_get_charge_key() -> FloatKey"""
3987  return _IMP_atom.Charged_get_charge_key()
3988 
3989 class CoulombPairScore(IMP.kernel.PairScore):
3990  """Proxy of C++ IMP::atom::CoulombPairScore class"""
3991  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3992  def __init__(self, *args):
3993  """__init__(IMP::atom::CoulombPairScore self, SmoothingFunction f) -> CoulombPairScore"""
3994  this = _IMP_atom.new_CoulombPairScore(*args)
3995  try: self.this.append(this)
3996  except: self.this = this
3997  def set_relative_dielectric(self, *args):
3998  """set_relative_dielectric(CoulombPairScore self, double relative_dielectric)"""
3999  return _IMP_atom.CoulombPairScore_set_relative_dielectric(self, *args)
4000 
4001  def get_relative_dielectric(self):
4002  """get_relative_dielectric(CoulombPairScore self) -> double"""
4003  return _IMP_atom.CoulombPairScore_get_relative_dielectric(self)
4004 
4005  def do_get_inputs(self, *args):
4006  """do_get_inputs(CoulombPairScore self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
4007  return _IMP_atom.CoulombPairScore_do_get_inputs(self, *args)
4008 
4009  def get_version_info(self):
4010  """get_version_info(CoulombPairScore self) -> VersionInfo"""
4011  return _IMP_atom.CoulombPairScore_get_version_info(self)
4012 
4013  def __str__(self):
4014  """__str__(CoulombPairScore self) -> std::string"""
4015  return _IMP_atom.CoulombPairScore___str__(self)
4016 
4017  def __repr__(self):
4018  """__repr__(CoulombPairScore self) -> std::string"""
4019  return _IMP_atom.CoulombPairScore___repr__(self)
4020 
4021  def get_from(o):
4022  return _object_cast_to_CoulombPairScore(o)
4023  get_from = staticmethod(get_from)
4024 
4025 CoulombPairScore_swigregister = _IMP_atom.CoulombPairScore_swigregister
4026 CoulombPairScore_swigregister(CoulombPairScore)
4027 
4028 class Domain(Hierarchy):
4029  """Proxy of C++ IMP::atom::Domain class"""
4030  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
4031  def set_index_range(self, *args):
4032  """set_index_range(Domain self, IMP::IntRange ir)"""
4033  return _IMP_atom.Domain_set_index_range(self, *args)
4034 
4035  def get_index_range(self):
4036  """get_index_range(Domain self) -> IMP::IntRange"""
4037  return _IMP_atom.Domain_get_index_range(self)
4038 
4039  def __init__(self, *args):
4040  """
4041  __init__(IMP::atom::Domain self) -> Domain
4042  __init__(IMP::atom::Domain self, Model m, ::IMP::kernel::ParticleIndex id) -> Domain
4043  __init__(IMP::atom::Domain self, _ParticleAdaptor d) -> Domain
4044  """
4045  this = _IMP_atom.new_Domain(*args)
4046  try: self.this.append(this)
4047  except: self.this = this
4048  def get_is_setup(*args):
4049  """
4050  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
4051  get_is_setup(_ParticleAdaptor p) -> bool
4052  """
4053  return _IMP_atom.Domain_get_is_setup(*args)
4054 
4055  get_is_setup = staticmethod(get_is_setup)
4056  def show(self, *args):
4057  """
4058  show(Domain self, _ostream out=std::cout)
4059  show(Domain self)
4060  """
4061  return _IMP_atom.Domain_show(self, *args)
4062 
4063  def setup_particle(*args):
4064  """
4065  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Domain other) -> Domain
4066  setup_particle(_ParticleAdaptor decorator, Domain other) -> Domain
4067  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::IntRange residues) -> Domain
4068  setup_particle(_ParticleAdaptor decorator, IMP::IntRange residues) -> Domain
4069  """
4070  return _IMP_atom.Domain_setup_particle(*args)
4071 
4072  setup_particle = staticmethod(setup_particle)
4073  def add_attribute(self, *args):
4074  """
4075  add_attribute(Domain self, FloatKey k, IMP::Float v, bool opt)
4076  add_attribute(Domain self, FloatKey a0, IMP::Float a1)
4077  add_attribute(Domain self, IntKey a0, IMP::Int a1)
4078  add_attribute(Domain self, StringKey a0, IMP::String a1)
4079  add_attribute(Domain self, ParticleIndexKey a0, Particle a1)
4080  add_attribute(Domain self, ObjectKey a0, Object a1)
4081  """
4082  return _IMP_atom.Domain_add_attribute(self, *args)
4083 
4084  def get_value(self, *args):
4085  """
4086  get_value(Domain self, FloatKey a0) -> IMP::Float
4087  get_value(Domain self, IntKey a0) -> IMP::Int
4088  get_value(Domain self, StringKey a0) -> IMP::String
4089  get_value(Domain self, ParticleIndexKey a0) -> Particle
4090  get_value(Domain self, ObjectKey a0) -> Object
4091  """
4092  return _IMP_atom.Domain_get_value(self, *args)
4093 
4094  def set_value(self, *args):
4095  """
4096  set_value(Domain self, FloatKey a0, IMP::Float a1)
4097  set_value(Domain self, IntKey a0, IMP::Int a1)
4098  set_value(Domain self, StringKey a0, IMP::String a1)
4099  set_value(Domain self, ParticleIndexKey a0, Particle a1)
4100  set_value(Domain self, ObjectKey a0, Object a1)
4101  """
4102  return _IMP_atom.Domain_set_value(self, *args)
4103 
4104  def remove_attribute(self, *args):
4105  """
4106  remove_attribute(Domain self, FloatKey a0)
4107  remove_attribute(Domain self, IntKey a0)
4108  remove_attribute(Domain self, StringKey a0)
4109  remove_attribute(Domain self, ParticleIndexKey a0)
4110  remove_attribute(Domain self, ObjectKey a0)
4111  """
4112  return _IMP_atom.Domain_remove_attribute(self, *args)
4113 
4114  def has_attribute(self, *args):
4115  """
4116  has_attribute(Domain self, FloatKey a0) -> bool
4117  has_attribute(Domain self, IntKey a0) -> bool
4118  has_attribute(Domain self, StringKey a0) -> bool
4119  has_attribute(Domain self, ParticleIndexKey a0) -> bool
4120  has_attribute(Domain self, ObjectKey a0) -> bool
4121  """
4122  return _IMP_atom.Domain_has_attribute(self, *args)
4123 
4124  def get_derivative(self, *args):
4125  """get_derivative(Domain self, FloatKey a0) -> double"""
4126  return _IMP_atom.Domain_get_derivative(self, *args)
4127 
4128  def get_name(self):
4129  """get_name(Domain self) -> std::string"""
4130  return _IMP_atom.Domain_get_name(self)
4131 
4132  def clear_caches(self):
4133  """clear_caches(Domain self)"""
4134  return _IMP_atom.Domain_clear_caches(self)
4135 
4136  def set_name(self, *args):
4137  """set_name(Domain self, std::string a0)"""
4138  return _IMP_atom.Domain_set_name(self, *args)
4139 
4140  def set_check_level(self, *args):
4141  """set_check_level(Domain self, IMP::base::CheckLevel a0)"""
4142  return _IMP_atom.Domain_set_check_level(self, *args)
4143 
4144  def add_to_derivative(self, *args):
4145  """add_to_derivative(Domain self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4146  return _IMP_atom.Domain_add_to_derivative(self, *args)
4147 
4148  def set_is_optimized(self, *args):
4149  """set_is_optimized(Domain self, FloatKey a0, bool a1)"""
4150  return _IMP_atom.Domain_set_is_optimized(self, *args)
4151 
4152  def get_is_optimized(self, *args):
4153  """get_is_optimized(Domain self, FloatKey a0) -> bool"""
4154  return _IMP_atom.Domain_get_is_optimized(self, *args)
4155 
4156  def get_check_level(self):
4157  """get_check_level(Domain self) -> IMP::base::CheckLevel"""
4158  return _IMP_atom.Domain_get_check_level(self)
4159 
4160  def __eq__(self, *args):
4161  """
4162  __eq__(Domain self, Domain o) -> bool
4163  __eq__(Domain self, Particle d) -> bool
4164  """
4165  return _IMP_atom.Domain___eq__(self, *args)
4166 
4167  def __ne__(self, *args):
4168  """
4169  __ne__(Domain self, Domain o) -> bool
4170  __ne__(Domain self, Particle d) -> bool
4171  """
4172  return _IMP_atom.Domain___ne__(self, *args)
4173 
4174  def __le__(self, *args):
4175  """
4176  __le__(Domain self, Domain o) -> bool
4177  __le__(Domain self, Particle d) -> bool
4178  """
4179  return _IMP_atom.Domain___le__(self, *args)
4180 
4181  def __lt__(self, *args):
4182  """
4183  __lt__(Domain self, Domain o) -> bool
4184  __lt__(Domain self, Particle d) -> bool
4185  """
4186  return _IMP_atom.Domain___lt__(self, *args)
4187 
4188  def __ge__(self, *args):
4189  """
4190  __ge__(Domain self, Domain o) -> bool
4191  __ge__(Domain self, Particle d) -> bool
4192  """
4193  return _IMP_atom.Domain___ge__(self, *args)
4194 
4195  def __gt__(self, *args):
4196  """
4197  __gt__(Domain self, Domain o) -> bool
4198  __gt__(Domain self, Particle d) -> bool
4199  """
4200  return _IMP_atom.Domain___gt__(self, *args)
4201 
4202  def __hash__(self):
4203  """__hash__(Domain self) -> std::size_t"""
4204  return _IMP_atom.Domain___hash__(self)
4205 
4206  def __str__(self):
4207  """__str__(Domain self) -> std::string"""
4208  return _IMP_atom.Domain___str__(self)
4209 
4210  def __repr__(self):
4211  """__repr__(Domain self) -> std::string"""
4212  return _IMP_atom.Domain___repr__(self)
4213 
4214  __swig_destroy__ = _IMP_atom.delete_Domain
4215  __del__ = lambda self : None;
4216 Domain_swigregister = _IMP_atom.Domain_swigregister
4217 Domain_swigregister(Domain)
4218 
4219 def Domain_get_is_setup(*args):
4220  """
4221  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
4222  Domain_get_is_setup(_ParticleAdaptor p) -> bool
4223  """
4224  return _IMP_atom.Domain_get_is_setup(*args)
4225 
4226 def Domain_setup_particle(*args):
4227  """
4228  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Domain other) -> Domain
4229  setup_particle(_ParticleAdaptor decorator, Domain other) -> Domain
4230  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::IntRange residues) -> Domain
4231  Domain_setup_particle(_ParticleAdaptor decorator, IMP::IntRange residues) -> Domain
4232  """
4233  return _IMP_atom.Domain_setup_particle(*args)
4234 
4235 class LennardJones(IMP.core.XYZR):
4236  """Proxy of C++ IMP::atom::LennardJones class"""
4237  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
4238  def __init__(self, *args):
4239  """
4240  __init__(IMP::atom::LennardJones self) -> LennardJones
4241  __init__(IMP::atom::LennardJones self, Model m, ::IMP::kernel::ParticleIndex id) -> LennardJones
4242  __init__(IMP::atom::LennardJones self, _ParticleAdaptor d) -> LennardJones
4243  """
4244  this = _IMP_atom.new_LennardJones(*args)
4245  try: self.this.append(this)
4246  except: self.this = this
4247  def show(self, *args):
4248  """
4249  show(LennardJones self, _ostream out=std::cout)
4250  show(LennardJones self)
4251  """
4252  return _IMP_atom.LennardJones_show(self, *args)
4253 
4254  def setup_particle(*args):
4255  """
4256  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> LennardJones
4257  setup_particle(_ParticleAdaptor decorator) -> LennardJones
4258  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Float well_depth) -> LennardJones
4259  setup_particle(_ParticleAdaptor decorator, IMP::Float well_depth) -> LennardJones
4260  """
4261  return _IMP_atom.LennardJones_setup_particle(*args)
4262 
4263  setup_particle = staticmethod(setup_particle)
4264  def get_well_depth(self):
4265  """get_well_depth(LennardJones self) -> IMP::Float"""
4266  return _IMP_atom.LennardJones_get_well_depth(self)
4267 
4268  def set_well_depth(self, *args):
4269  """set_well_depth(LennardJones self, IMP::Float well_depth)"""
4270  return _IMP_atom.LennardJones_set_well_depth(self, *args)
4271 
4272  def get_is_setup(*args):
4273  """
4274  get_is_setup(_ParticleAdaptor p) -> bool
4275  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
4276  """
4277  return _IMP_atom.LennardJones_get_is_setup(*args)
4278 
4279  get_is_setup = staticmethod(get_is_setup)
4280  def get_well_depth_key():
4281  """get_well_depth_key() -> FloatKey"""
4282  return _IMP_atom.LennardJones_get_well_depth_key()
4283 
4284  get_well_depth_key = staticmethod(get_well_depth_key)
4285  def add_attribute(self, *args):
4286  """
4287  add_attribute(LennardJones self, FloatKey k, IMP::Float v, bool opt)
4288  add_attribute(LennardJones self, FloatKey a0, IMP::Float a1)
4289  add_attribute(LennardJones self, IntKey a0, IMP::Int a1)
4290  add_attribute(LennardJones self, StringKey a0, IMP::String a1)
4291  add_attribute(LennardJones self, ParticleIndexKey a0, Particle a1)
4292  add_attribute(LennardJones self, ObjectKey a0, Object a1)
4293  """
4294  return _IMP_atom.LennardJones_add_attribute(self, *args)
4295 
4296  def get_value(self, *args):
4297  """
4298  get_value(LennardJones self, FloatKey a0) -> IMP::Float
4299  get_value(LennardJones self, IntKey a0) -> IMP::Int
4300  get_value(LennardJones self, StringKey a0) -> IMP::String
4301  get_value(LennardJones self, ParticleIndexKey a0) -> Particle
4302  get_value(LennardJones self, ObjectKey a0) -> Object
4303  """
4304  return _IMP_atom.LennardJones_get_value(self, *args)
4305 
4306  def set_value(self, *args):
4307  """
4308  set_value(LennardJones self, FloatKey a0, IMP::Float a1)
4309  set_value(LennardJones self, IntKey a0, IMP::Int a1)
4310  set_value(LennardJones self, StringKey a0, IMP::String a1)
4311  set_value(LennardJones self, ParticleIndexKey a0, Particle a1)
4312  set_value(LennardJones self, ObjectKey a0, Object a1)
4313  """
4314  return _IMP_atom.LennardJones_set_value(self, *args)
4315 
4316  def remove_attribute(self, *args):
4317  """
4318  remove_attribute(LennardJones self, FloatKey a0)
4319  remove_attribute(LennardJones self, IntKey a0)
4320  remove_attribute(LennardJones self, StringKey a0)
4321  remove_attribute(LennardJones self, ParticleIndexKey a0)
4322  remove_attribute(LennardJones self, ObjectKey a0)
4323  """
4324  return _IMP_atom.LennardJones_remove_attribute(self, *args)
4325 
4326  def has_attribute(self, *args):
4327  """
4328  has_attribute(LennardJones self, FloatKey a0) -> bool
4329  has_attribute(LennardJones self, IntKey a0) -> bool
4330  has_attribute(LennardJones self, StringKey a0) -> bool
4331  has_attribute(LennardJones self, ParticleIndexKey a0) -> bool
4332  has_attribute(LennardJones self, ObjectKey a0) -> bool
4333  """
4334  return _IMP_atom.LennardJones_has_attribute(self, *args)
4335 
4336  def get_derivative(self, *args):
4337  """get_derivative(LennardJones self, FloatKey a0) -> double"""
4338  return _IMP_atom.LennardJones_get_derivative(self, *args)
4339 
4340  def get_name(self):
4341  """get_name(LennardJones self) -> std::string"""
4342  return _IMP_atom.LennardJones_get_name(self)
4343 
4344  def clear_caches(self):
4345  """clear_caches(LennardJones self)"""
4346  return _IMP_atom.LennardJones_clear_caches(self)
4347 
4348  def set_name(self, *args):
4349  """set_name(LennardJones self, std::string a0)"""
4350  return _IMP_atom.LennardJones_set_name(self, *args)
4351 
4352  def set_check_level(self, *args):
4353  """set_check_level(LennardJones self, IMP::base::CheckLevel a0)"""
4354  return _IMP_atom.LennardJones_set_check_level(self, *args)
4355 
4356  def add_to_derivative(self, *args):
4357  """add_to_derivative(LennardJones self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4358  return _IMP_atom.LennardJones_add_to_derivative(self, *args)
4359 
4360  def set_is_optimized(self, *args):
4361  """set_is_optimized(LennardJones self, FloatKey a0, bool a1)"""
4362  return _IMP_atom.LennardJones_set_is_optimized(self, *args)
4363 
4364  def get_is_optimized(self, *args):
4365  """get_is_optimized(LennardJones self, FloatKey a0) -> bool"""
4366  return _IMP_atom.LennardJones_get_is_optimized(self, *args)
4367 
4368  def get_check_level(self):
4369  """get_check_level(LennardJones self) -> IMP::base::CheckLevel"""
4370  return _IMP_atom.LennardJones_get_check_level(self)
4371 
4372  def __eq__(self, *args):
4373  """
4374  __eq__(LennardJones self, LennardJones o) -> bool
4375  __eq__(LennardJones self, Particle d) -> bool
4376  """
4377  return _IMP_atom.LennardJones___eq__(self, *args)
4378 
4379  def __ne__(self, *args):
4380  """
4381  __ne__(LennardJones self, LennardJones o) -> bool
4382  __ne__(LennardJones self, Particle d) -> bool
4383  """
4384  return _IMP_atom.LennardJones___ne__(self, *args)
4385 
4386  def __le__(self, *args):
4387  """
4388  __le__(LennardJones self, LennardJones o) -> bool
4389  __le__(LennardJones self, Particle d) -> bool
4390  """
4391  return _IMP_atom.LennardJones___le__(self, *args)
4392 
4393  def __lt__(self, *args):
4394  """
4395  __lt__(LennardJones self, LennardJones o) -> bool
4396  __lt__(LennardJones self, Particle d) -> bool
4397  """
4398  return _IMP_atom.LennardJones___lt__(self, *args)
4399 
4400  def __ge__(self, *args):
4401  """
4402  __ge__(LennardJones self, LennardJones o) -> bool
4403  __ge__(LennardJones self, Particle d) -> bool
4404  """
4405  return _IMP_atom.LennardJones___ge__(self, *args)
4406 
4407  def __gt__(self, *args):
4408  """
4409  __gt__(LennardJones self, LennardJones o) -> bool
4410  __gt__(LennardJones self, Particle d) -> bool
4411  """
4412  return _IMP_atom.LennardJones___gt__(self, *args)
4413 
4414  def __hash__(self):
4415  """__hash__(LennardJones self) -> std::size_t"""
4416  return _IMP_atom.LennardJones___hash__(self)
4417 
4418  def __str__(self):
4419  """__str__(LennardJones self) -> std::string"""
4420  return _IMP_atom.LennardJones___str__(self)
4421 
4422  def __repr__(self):
4423  """__repr__(LennardJones self) -> std::string"""
4424  return _IMP_atom.LennardJones___repr__(self)
4425 
4426  __swig_destroy__ = _IMP_atom.delete_LennardJones
4427  __del__ = lambda self : None;
4428 LennardJones_swigregister = _IMP_atom.LennardJones_swigregister
4429 LennardJones_swigregister(LennardJones)
4430 
4431 def LennardJones_setup_particle(*args):
4432  """
4433  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> LennardJones
4434  setup_particle(_ParticleAdaptor decorator) -> LennardJones
4435  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Float well_depth) -> LennardJones
4436  LennardJones_setup_particle(_ParticleAdaptor decorator, IMP::Float well_depth) -> LennardJones
4437  """
4438  return _IMP_atom.LennardJones_setup_particle(*args)
4439 
4440 def LennardJones_get_is_setup(*args):
4441  """
4442  get_is_setup(_ParticleAdaptor p) -> bool
4443  LennardJones_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
4444  """
4445  return _IMP_atom.LennardJones_get_is_setup(*args)
4446 
4447 def LennardJones_get_well_depth_key():
4448  """LennardJones_get_well_depth_key() -> FloatKey"""
4449  return _IMP_atom.LennardJones_get_well_depth_key()
4450 
4451 class LennardJonesPairScore(IMP.kernel.PairScore):
4452  """Proxy of C++ IMP::atom::LennardJonesPairScore class"""
4453  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
4454  def __init__(self, *args):
4455  """__init__(IMP::atom::LennardJonesPairScore self, SmoothingFunction f) -> LennardJonesPairScore"""
4456  this = _IMP_atom.new_LennardJonesPairScore(*args)
4457  try: self.this.append(this)
4458  except: self.this = this
4459  def set_repulsive_weight(self, *args):
4460  """set_repulsive_weight(LennardJonesPairScore self, double repulsive_weight)"""
4461  return _IMP_atom.LennardJonesPairScore_set_repulsive_weight(self, *args)
4462 
4463  def get_repulsive_weight(self):
4464  """get_repulsive_weight(LennardJonesPairScore self) -> double"""
4465  return _IMP_atom.LennardJonesPairScore_get_repulsive_weight(self)
4466 
4467  def set_attractive_weight(self, *args):
4468  """set_attractive_weight(LennardJonesPairScore self, double attractive_weight)"""
4469  return _IMP_atom.LennardJonesPairScore_set_attractive_weight(self, *args)
4470 
4471  def get_attractive_weight(self):
4472  """get_attractive_weight(LennardJonesPairScore self) -> double"""
4473  return _IMP_atom.LennardJonesPairScore_get_attractive_weight(self)
4474 
4475  def do_get_inputs(self, *args):
4476  """do_get_inputs(LennardJonesPairScore self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
4477  return _IMP_atom.LennardJonesPairScore_do_get_inputs(self, *args)
4478 
4479  def get_version_info(self):
4480  """get_version_info(LennardJonesPairScore self) -> VersionInfo"""
4481  return _IMP_atom.LennardJonesPairScore_get_version_info(self)
4482 
4483  def __str__(self):
4484  """__str__(LennardJonesPairScore self) -> std::string"""
4485  return _IMP_atom.LennardJonesPairScore___str__(self)
4486 
4487  def __repr__(self):
4488  """__repr__(LennardJonesPairScore self) -> std::string"""
4489  return _IMP_atom.LennardJonesPairScore___repr__(self)
4490 
4491  def get_from(o):
4492  return _object_cast_to_LennardJonesPairScore(o)
4493  get_from = staticmethod(get_from)
4494 
4495 LennardJonesPairScore_swigregister = _IMP_atom.LennardJonesPairScore_swigregister
4496 LennardJonesPairScore_swigregister(LennardJonesPairScore)
4497 
4498 class LinearVelocity(IMP.kernel.Decorator):
4499  """Proxy of C++ IMP::atom::LinearVelocity class"""
4500  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
4501  def get_velocity_key(*args):
4502  """get_velocity_key(unsigned int i) -> FloatKey"""
4503  return _IMP_atom.LinearVelocity_get_velocity_key(*args)
4504 
4505  get_velocity_key = staticmethod(get_velocity_key)
4506  def __init__(self, *args):
4507  """
4508  __init__(IMP::atom::LinearVelocity self) -> LinearVelocity
4509  __init__(IMP::atom::LinearVelocity self, Model m, ::IMP::kernel::ParticleIndex id) -> LinearVelocity
4510  __init__(IMP::atom::LinearVelocity self, _ParticleAdaptor d) -> LinearVelocity
4511  """
4512  this = _IMP_atom.new_LinearVelocity(*args)
4513  try: self.this.append(this)
4514  except: self.this = this
4515  def get_is_setup(*args):
4516  """
4517  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
4518  get_is_setup(_ParticleAdaptor p) -> bool
4519  """
4520  return _IMP_atom.LinearVelocity_get_is_setup(*args)
4521 
4522  get_is_setup = staticmethod(get_is_setup)
4523  def show(self, *args):
4524  """
4525  show(LinearVelocity self, _ostream out=std::cout)
4526  show(LinearVelocity self)
4527  """
4528  return _IMP_atom.LinearVelocity_show(self, *args)
4529 
4530  def setup_particle(*args):
4531  """
4532  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> LinearVelocity
4533  setup_particle(_ParticleAdaptor decorator) -> LinearVelocity
4534  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Vector3D v) -> LinearVelocity
4535  setup_particle(_ParticleAdaptor decorator, Vector3D v) -> LinearVelocity
4536  """
4537  return _IMP_atom.LinearVelocity_setup_particle(*args)
4538 
4539  setup_particle = staticmethod(setup_particle)
4540  def set_velocity(self, *args):
4541  """set_velocity(LinearVelocity self, Vector3D v)"""
4542  return _IMP_atom.LinearVelocity_set_velocity(self, *args)
4543 
4544  def get_velocity(self):
4545  """get_velocity(LinearVelocity self) -> Vector3D"""
4546  return _IMP_atom.LinearVelocity_get_velocity(self)
4547 
4548  def add_attribute(self, *args):
4549  """
4550  add_attribute(LinearVelocity self, FloatKey k, IMP::Float v, bool opt)
4551  add_attribute(LinearVelocity self, FloatKey a0, IMP::Float a1)
4552  add_attribute(LinearVelocity self, IntKey a0, IMP::Int a1)
4553  add_attribute(LinearVelocity self, StringKey a0, IMP::String a1)
4554  add_attribute(LinearVelocity self, ParticleIndexKey a0, Particle a1)
4555  add_attribute(LinearVelocity self, ObjectKey a0, Object a1)
4556  """
4557  return _IMP_atom.LinearVelocity_add_attribute(self, *args)
4558 
4559  def get_value(self, *args):
4560  """
4561  get_value(LinearVelocity self, FloatKey a0) -> IMP::Float
4562  get_value(LinearVelocity self, IntKey a0) -> IMP::Int
4563  get_value(LinearVelocity self, StringKey a0) -> IMP::String
4564  get_value(LinearVelocity self, ParticleIndexKey a0) -> Particle
4565  get_value(LinearVelocity self, ObjectKey a0) -> Object
4566  """
4567  return _IMP_atom.LinearVelocity_get_value(self, *args)
4568 
4569  def set_value(self, *args):
4570  """
4571  set_value(LinearVelocity self, FloatKey a0, IMP::Float a1)
4572  set_value(LinearVelocity self, IntKey a0, IMP::Int a1)
4573  set_value(LinearVelocity self, StringKey a0, IMP::String a1)
4574  set_value(LinearVelocity self, ParticleIndexKey a0, Particle a1)
4575  set_value(LinearVelocity self, ObjectKey a0, Object a1)
4576  """
4577  return _IMP_atom.LinearVelocity_set_value(self, *args)
4578 
4579  def remove_attribute(self, *args):
4580  """
4581  remove_attribute(LinearVelocity self, FloatKey a0)
4582  remove_attribute(LinearVelocity self, IntKey a0)
4583  remove_attribute(LinearVelocity self, StringKey a0)
4584  remove_attribute(LinearVelocity self, ParticleIndexKey a0)
4585  remove_attribute(LinearVelocity self, ObjectKey a0)
4586  """
4587  return _IMP_atom.LinearVelocity_remove_attribute(self, *args)
4588 
4589  def has_attribute(self, *args):
4590  """
4591  has_attribute(LinearVelocity self, FloatKey a0) -> bool
4592  has_attribute(LinearVelocity self, IntKey a0) -> bool
4593  has_attribute(LinearVelocity self, StringKey a0) -> bool
4594  has_attribute(LinearVelocity self, ParticleIndexKey a0) -> bool
4595  has_attribute(LinearVelocity self, ObjectKey a0) -> bool
4596  """
4597  return _IMP_atom.LinearVelocity_has_attribute(self, *args)
4598 
4599  def get_derivative(self, *args):
4600  """get_derivative(LinearVelocity self, FloatKey a0) -> double"""
4601  return _IMP_atom.LinearVelocity_get_derivative(self, *args)
4602 
4603  def get_name(self):
4604  """get_name(LinearVelocity self) -> std::string"""
4605  return _IMP_atom.LinearVelocity_get_name(self)
4606 
4607  def clear_caches(self):
4608  """clear_caches(LinearVelocity self)"""
4609  return _IMP_atom.LinearVelocity_clear_caches(self)
4610 
4611  def set_name(self, *args):
4612  """set_name(LinearVelocity self, std::string a0)"""
4613  return _IMP_atom.LinearVelocity_set_name(self, *args)
4614 
4615  def set_check_level(self, *args):
4616  """set_check_level(LinearVelocity self, IMP::base::CheckLevel a0)"""
4617  return _IMP_atom.LinearVelocity_set_check_level(self, *args)
4618 
4619  def add_to_derivative(self, *args):
4620  """add_to_derivative(LinearVelocity self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4621  return _IMP_atom.LinearVelocity_add_to_derivative(self, *args)
4622 
4623  def set_is_optimized(self, *args):
4624  """set_is_optimized(LinearVelocity self, FloatKey a0, bool a1)"""
4625  return _IMP_atom.LinearVelocity_set_is_optimized(self, *args)
4626 
4627  def get_is_optimized(self, *args):
4628  """get_is_optimized(LinearVelocity self, FloatKey a0) -> bool"""
4629  return _IMP_atom.LinearVelocity_get_is_optimized(self, *args)
4630 
4631  def get_check_level(self):
4632  """get_check_level(LinearVelocity self) -> IMP::base::CheckLevel"""
4633  return _IMP_atom.LinearVelocity_get_check_level(self)
4634 
4635  def __eq__(self, *args):
4636  """
4637  __eq__(LinearVelocity self, LinearVelocity o) -> bool
4638  __eq__(LinearVelocity self, Particle d) -> bool
4639  """
4640  return _IMP_atom.LinearVelocity___eq__(self, *args)
4641 
4642  def __ne__(self, *args):
4643  """
4644  __ne__(LinearVelocity self, LinearVelocity o) -> bool
4645  __ne__(LinearVelocity self, Particle d) -> bool
4646  """
4647  return _IMP_atom.LinearVelocity___ne__(self, *args)
4648 
4649  def __le__(self, *args):
4650  """
4651  __le__(LinearVelocity self, LinearVelocity o) -> bool
4652  __le__(LinearVelocity self, Particle d) -> bool
4653  """
4654  return _IMP_atom.LinearVelocity___le__(self, *args)
4655 
4656  def __lt__(self, *args):
4657  """
4658  __lt__(LinearVelocity self, LinearVelocity o) -> bool
4659  __lt__(LinearVelocity self, Particle d) -> bool
4660  """
4661  return _IMP_atom.LinearVelocity___lt__(self, *args)
4662 
4663  def __ge__(self, *args):
4664  """
4665  __ge__(LinearVelocity self, LinearVelocity o) -> bool
4666  __ge__(LinearVelocity self, Particle d) -> bool
4667  """
4668  return _IMP_atom.LinearVelocity___ge__(self, *args)
4669 
4670  def __gt__(self, *args):
4671  """
4672  __gt__(LinearVelocity self, LinearVelocity o) -> bool
4673  __gt__(LinearVelocity self, Particle d) -> bool
4674  """
4675  return _IMP_atom.LinearVelocity___gt__(self, *args)
4676 
4677  def __hash__(self):
4678  """__hash__(LinearVelocity self) -> std::size_t"""
4679  return _IMP_atom.LinearVelocity___hash__(self)
4680 
4681  def __str__(self):
4682  """__str__(LinearVelocity self) -> std::string"""
4683  return _IMP_atom.LinearVelocity___str__(self)
4684 
4685  def __repr__(self):
4686  """__repr__(LinearVelocity self) -> std::string"""
4687  return _IMP_atom.LinearVelocity___repr__(self)
4688 
4689  __swig_destroy__ = _IMP_atom.delete_LinearVelocity
4690  __del__ = lambda self : None;
4691 LinearVelocity_swigregister = _IMP_atom.LinearVelocity_swigregister
4692 LinearVelocity_swigregister(LinearVelocity)
4693 
4694 def LinearVelocity_get_velocity_key(*args):
4695  """LinearVelocity_get_velocity_key(unsigned int i) -> FloatKey"""
4696  return _IMP_atom.LinearVelocity_get_velocity_key(*args)
4697 
4698 def LinearVelocity_get_is_setup(*args):
4699  """
4700  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
4701  LinearVelocity_get_is_setup(_ParticleAdaptor p) -> bool
4702  """
4703  return _IMP_atom.LinearVelocity_get_is_setup(*args)
4704 
4705 def LinearVelocity_setup_particle(*args):
4706  """
4707  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> LinearVelocity
4708  setup_particle(_ParticleAdaptor decorator) -> LinearVelocity
4709  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Vector3D v) -> LinearVelocity
4710  LinearVelocity_setup_particle(_ParticleAdaptor decorator, Vector3D v) -> LinearVelocity
4711  """
4712  return _IMP_atom.LinearVelocity_setup_particle(*args)
4713 
4714 class AngularVelocity(IMP.kernel.Decorator):
4715  """Proxy of C++ IMP::atom::AngularVelocity class"""
4716  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
4717  def get_velocity_key(*args):
4718  """get_velocity_key(unsigned int i) -> FloatKey"""
4719  return _IMP_atom.AngularVelocity_get_velocity_key(*args)
4720 
4721  get_velocity_key = staticmethod(get_velocity_key)
4722  def __init__(self, *args):
4723  """
4724  __init__(IMP::atom::AngularVelocity self) -> AngularVelocity
4725  __init__(IMP::atom::AngularVelocity self, Model m, ::IMP::kernel::ParticleIndex id) -> AngularVelocity
4726  __init__(IMP::atom::AngularVelocity self, _ParticleAdaptor d) -> AngularVelocity
4727  """
4728  this = _IMP_atom.new_AngularVelocity(*args)
4729  try: self.this.append(this)
4730  except: self.this = this
4731  def get_is_setup(*args):
4732  """
4733  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
4734  get_is_setup(_ParticleAdaptor p) -> bool
4735  """
4736  return _IMP_atom.AngularVelocity_get_is_setup(*args)
4737 
4738  get_is_setup = staticmethod(get_is_setup)
4739  def show(self, *args):
4740  """
4741  show(AngularVelocity self, _ostream out=std::cout)
4742  show(AngularVelocity self)
4743  """
4744  return _IMP_atom.AngularVelocity_show(self, *args)
4745 
4746  def setup_particle(*args):
4747  """
4748  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> AngularVelocity
4749  setup_particle(_ParticleAdaptor decorator) -> AngularVelocity
4750  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Vector4D v) -> AngularVelocity
4751  setup_particle(_ParticleAdaptor decorator, Vector4D v) -> AngularVelocity
4752  """
4753  return _IMP_atom.AngularVelocity_setup_particle(*args)
4754 
4755  setup_particle = staticmethod(setup_particle)
4756  def set_velocity(self, *args):
4757  """set_velocity(AngularVelocity self, Vector4D v)"""
4758  return _IMP_atom.AngularVelocity_set_velocity(self, *args)
4759 
4760  def get_velocity(self):
4761  """get_velocity(AngularVelocity self) -> Vector4D"""
4762  return _IMP_atom.AngularVelocity_get_velocity(self)
4763 
4764  def add_attribute(self, *args):
4765  """
4766  add_attribute(AngularVelocity self, FloatKey k, IMP::Float v, bool opt)
4767  add_attribute(AngularVelocity self, FloatKey a0, IMP::Float a1)
4768  add_attribute(AngularVelocity self, IntKey a0, IMP::Int a1)
4769  add_attribute(AngularVelocity self, StringKey a0, IMP::String a1)
4770  add_attribute(AngularVelocity self, ParticleIndexKey a0, Particle a1)
4771  add_attribute(AngularVelocity self, ObjectKey a0, Object a1)
4772  """
4773  return _IMP_atom.AngularVelocity_add_attribute(self, *args)
4774 
4775  def get_value(self, *args):
4776  """
4777  get_value(AngularVelocity self, FloatKey a0) -> IMP::Float
4778  get_value(AngularVelocity self, IntKey a0) -> IMP::Int
4779  get_value(AngularVelocity self, StringKey a0) -> IMP::String
4780  get_value(AngularVelocity self, ParticleIndexKey a0) -> Particle
4781  get_value(AngularVelocity self, ObjectKey a0) -> Object
4782  """
4783  return _IMP_atom.AngularVelocity_get_value(self, *args)
4784 
4785  def set_value(self, *args):
4786  """
4787  set_value(AngularVelocity self, FloatKey a0, IMP::Float a1)
4788  set_value(AngularVelocity self, IntKey a0, IMP::Int a1)
4789  set_value(AngularVelocity self, StringKey a0, IMP::String a1)
4790  set_value(AngularVelocity self, ParticleIndexKey a0, Particle a1)
4791  set_value(AngularVelocity self, ObjectKey a0, Object a1)
4792  """
4793  return _IMP_atom.AngularVelocity_set_value(self, *args)
4794 
4795  def remove_attribute(self, *args):
4796  """
4797  remove_attribute(AngularVelocity self, FloatKey a0)
4798  remove_attribute(AngularVelocity self, IntKey a0)
4799  remove_attribute(AngularVelocity self, StringKey a0)
4800  remove_attribute(AngularVelocity self, ParticleIndexKey a0)
4801  remove_attribute(AngularVelocity self, ObjectKey a0)
4802  """
4803  return _IMP_atom.AngularVelocity_remove_attribute(self, *args)
4804 
4805  def has_attribute(self, *args):
4806  """
4807  has_attribute(AngularVelocity self, FloatKey a0) -> bool
4808  has_attribute(AngularVelocity self, IntKey a0) -> bool
4809  has_attribute(AngularVelocity self, StringKey a0) -> bool
4810  has_attribute(AngularVelocity self, ParticleIndexKey a0) -> bool
4811  has_attribute(AngularVelocity self, ObjectKey a0) -> bool
4812  """
4813  return _IMP_atom.AngularVelocity_has_attribute(self, *args)
4814 
4815  def get_derivative(self, *args):
4816  """get_derivative(AngularVelocity self, FloatKey a0) -> double"""
4817  return _IMP_atom.AngularVelocity_get_derivative(self, *args)
4818 
4819  def get_name(self):
4820  """get_name(AngularVelocity self) -> std::string"""
4821  return _IMP_atom.AngularVelocity_get_name(self)
4822 
4823  def clear_caches(self):
4824  """clear_caches(AngularVelocity self)"""
4825  return _IMP_atom.AngularVelocity_clear_caches(self)
4826 
4827  def set_name(self, *args):
4828  """set_name(AngularVelocity self, std::string a0)"""
4829  return _IMP_atom.AngularVelocity_set_name(self, *args)
4830 
4831  def set_check_level(self, *args):
4832  """set_check_level(AngularVelocity self, IMP::base::CheckLevel a0)"""
4833  return _IMP_atom.AngularVelocity_set_check_level(self, *args)
4834 
4835  def add_to_derivative(self, *args):
4836  """add_to_derivative(AngularVelocity self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4837  return _IMP_atom.AngularVelocity_add_to_derivative(self, *args)
4838 
4839  def set_is_optimized(self, *args):
4840  """set_is_optimized(AngularVelocity self, FloatKey a0, bool a1)"""
4841  return _IMP_atom.AngularVelocity_set_is_optimized(self, *args)
4842 
4843  def get_is_optimized(self, *args):
4844  """get_is_optimized(AngularVelocity self, FloatKey a0) -> bool"""
4845  return _IMP_atom.AngularVelocity_get_is_optimized(self, *args)
4846 
4847  def get_check_level(self):
4848  """get_check_level(AngularVelocity self) -> IMP::base::CheckLevel"""
4849  return _IMP_atom.AngularVelocity_get_check_level(self)
4850 
4851  def __eq__(self, *args):
4852  """
4853  __eq__(AngularVelocity self, AngularVelocity o) -> bool
4854  __eq__(AngularVelocity self, Particle d) -> bool
4855  """
4856  return _IMP_atom.AngularVelocity___eq__(self, *args)
4857 
4858  def __ne__(self, *args):
4859  """
4860  __ne__(AngularVelocity self, AngularVelocity o) -> bool
4861  __ne__(AngularVelocity self, Particle d) -> bool
4862  """
4863  return _IMP_atom.AngularVelocity___ne__(self, *args)
4864 
4865  def __le__(self, *args):
4866  """
4867  __le__(AngularVelocity self, AngularVelocity o) -> bool
4868  __le__(AngularVelocity self, Particle d) -> bool
4869  """
4870  return _IMP_atom.AngularVelocity___le__(self, *args)
4871 
4872  def __lt__(self, *args):
4873  """
4874  __lt__(AngularVelocity self, AngularVelocity o) -> bool
4875  __lt__(AngularVelocity self, Particle d) -> bool
4876  """
4877  return _IMP_atom.AngularVelocity___lt__(self, *args)
4878 
4879  def __ge__(self, *args):
4880  """
4881  __ge__(AngularVelocity self, AngularVelocity o) -> bool
4882  __ge__(AngularVelocity self, Particle d) -> bool
4883  """
4884  return _IMP_atom.AngularVelocity___ge__(self, *args)
4885 
4886  def __gt__(self, *args):
4887  """
4888  __gt__(AngularVelocity self, AngularVelocity o) -> bool
4889  __gt__(AngularVelocity self, Particle d) -> bool
4890  """
4891  return _IMP_atom.AngularVelocity___gt__(self, *args)
4892 
4893  def __hash__(self):
4894  """__hash__(AngularVelocity self) -> std::size_t"""
4895  return _IMP_atom.AngularVelocity___hash__(self)
4896 
4897  def __str__(self):
4898  """__str__(AngularVelocity self) -> std::string"""
4899  return _IMP_atom.AngularVelocity___str__(self)
4900 
4901  def __repr__(self):
4902  """__repr__(AngularVelocity self) -> std::string"""
4903  return _IMP_atom.AngularVelocity___repr__(self)
4904 
4905  __swig_destroy__ = _IMP_atom.delete_AngularVelocity
4906  __del__ = lambda self : None;
4907 AngularVelocity_swigregister = _IMP_atom.AngularVelocity_swigregister
4908 AngularVelocity_swigregister(AngularVelocity)
4909 
4910 def AngularVelocity_get_velocity_key(*args):
4911  """AngularVelocity_get_velocity_key(unsigned int i) -> FloatKey"""
4912  return _IMP_atom.AngularVelocity_get_velocity_key(*args)
4913 
4914 def AngularVelocity_get_is_setup(*args):
4915  """
4916  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
4917  AngularVelocity_get_is_setup(_ParticleAdaptor p) -> bool
4918  """
4919  return _IMP_atom.AngularVelocity_get_is_setup(*args)
4920 
4921 def AngularVelocity_setup_particle(*args):
4922  """
4923  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> AngularVelocity
4924  setup_particle(_ParticleAdaptor decorator) -> AngularVelocity
4925  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Vector4D v) -> AngularVelocity
4926  AngularVelocity_setup_particle(_ParticleAdaptor decorator, Vector4D v) -> AngularVelocity
4927  """
4928  return _IMP_atom.AngularVelocity_setup_particle(*args)
4929 
4930 class MolecularDynamics(Simulator):
4931  """Proxy of C++ IMP::atom::MolecularDynamics class"""
4932  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
4933  def __init__(self, *args):
4934  """__init__(IMP::atom::MolecularDynamics self, Model m) -> MolecularDynamics"""
4935  this = _IMP_atom.new_MolecularDynamics(*args)
4936  try: self.this.append(this)
4937  except: self.this = this
4938  def get_kinetic_energy(self):
4939  """get_kinetic_energy(MolecularDynamics self) -> IMP::Float"""
4940  return _IMP_atom.MolecularDynamics_get_kinetic_energy(self)
4941 
4942  def get_kinetic_temperature(self, *args):
4943  """get_kinetic_temperature(MolecularDynamics self, IMP::Float ekinetic) -> IMP::Float"""
4944  return _IMP_atom.MolecularDynamics_get_kinetic_temperature(self, *args)
4945 
4946  def set_velocity_cap(self, *args):
4947  """set_velocity_cap(MolecularDynamics self, IMP::Float velocity_cap)"""
4948  return _IMP_atom.MolecularDynamics_set_velocity_cap(self, *args)
4949 
4950  def assign_velocities(self, *args):
4951  """assign_velocities(MolecularDynamics self, IMP::Float temperature)"""
4952  return _IMP_atom.MolecularDynamics_assign_velocities(self, *args)
4953 
4954  def setup(self, *args):
4955  """setup(MolecularDynamics self, IMP::kernel::ParticleIndexes const & ps)"""
4956  return _IMP_atom.MolecularDynamics_setup(self, *args)
4957 
4958  def do_step(self, *args):
4959  """do_step(MolecularDynamics self, IMP::kernel::ParticleIndexes const & sc, double dt) -> double"""
4960  return _IMP_atom.MolecularDynamics_do_step(self, *args)
4961 
4962  def get_is_simulation_particle(self, *args):
4963  """get_is_simulation_particle(MolecularDynamics self, IMP::kernel::ParticleIndex p) -> bool"""
4964  return _IMP_atom.MolecularDynamics_get_is_simulation_particle(self, *args)
4965 
4966  def get_version_info(self):
4967  """get_version_info(MolecularDynamics self) -> VersionInfo"""
4968  return _IMP_atom.MolecularDynamics_get_version_info(self)
4969 
4970  def __str__(self):
4971  """__str__(MolecularDynamics self) -> std::string"""
4972  return _IMP_atom.MolecularDynamics___str__(self)
4973 
4974  def __repr__(self):
4975  """__repr__(MolecularDynamics self) -> std::string"""
4976  return _IMP_atom.MolecularDynamics___repr__(self)
4977 
4978  def get_from(o):
4979  return _object_cast_to_MolecularDynamics(o)
4980  get_from = staticmethod(get_from)
4981 
4982 MolecularDynamics_swigregister = _IMP_atom.MolecularDynamics_swigregister
4983 MolecularDynamics_swigregister(MolecularDynamics)
4984 
4985 class VelocityScalingOptimizerState(IMP.kernel.OptimizerState):
4986  """Proxy of C++ IMP::atom::VelocityScalingOptimizerState class"""
4987  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
4988  def __init__(self, *args):
4989  """__init__(IMP::atom::VelocityScalingOptimizerState self, Model m, _ParticleIndexesAdaptor pis, double temperature) -> VelocityScalingOptimizerState"""
4990  this = _IMP_atom.new_VelocityScalingOptimizerState(*args)
4991  try: self.this.append(this)
4992  except: self.this = this
4993  def set_particles(self, *args):
4994  """set_particles(VelocityScalingOptimizerState self, IMP::kernel::Particles const & pis)"""
4995  return _IMP_atom.VelocityScalingOptimizerState_set_particles(self, *args)
4996 
4997  def set_temperature(self, *args):
4998  """set_temperature(VelocityScalingOptimizerState self, IMP::Float temperature)"""
4999  return _IMP_atom.VelocityScalingOptimizerState_set_temperature(self, *args)
5000 
5001  def rescale_velocities(self):
5002  """rescale_velocities(VelocityScalingOptimizerState self)"""
5003  return _IMP_atom.VelocityScalingOptimizerState_rescale_velocities(self)
5004 
5005  def get_version_info(self):
5006  """get_version_info(VelocityScalingOptimizerState self) -> VersionInfo"""
5007  return _IMP_atom.VelocityScalingOptimizerState_get_version_info(self)
5008 
5009  def __str__(self):
5010  """__str__(VelocityScalingOptimizerState self) -> std::string"""
5011  return _IMP_atom.VelocityScalingOptimizerState___str__(self)
5012 
5013  def __repr__(self):
5014  """__repr__(VelocityScalingOptimizerState self) -> std::string"""
5015  return _IMP_atom.VelocityScalingOptimizerState___repr__(self)
5016 
5017  def get_from(o):
5018  return _object_cast_to_VelocityScalingOptimizerState(o)
5019  get_from = staticmethod(get_from)
5020 
5021 VelocityScalingOptimizerState_swigregister = _IMP_atom.VelocityScalingOptimizerState_swigregister
5022 VelocityScalingOptimizerState_swigregister(VelocityScalingOptimizerState)
5023 
5024 class Fragment(Hierarchy):
5025  """Proxy of C++ IMP::atom::Fragment class"""
5026  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5027  def set_residue_indexes(self, *args):
5028  """set_residue_indexes(Fragment self, IMP::Ints o)"""
5029  return _IMP_atom.Fragment_set_residue_indexes(self, *args)
5030 
5031  def get_residue_indexes(self):
5032  """get_residue_indexes(Fragment self) -> IMP::Ints"""
5033  return _IMP_atom.Fragment_get_residue_indexes(self)
5034 
5035  def get_contains_residue(self, *args):
5036  """get_contains_residue(Fragment self, int rindex) -> bool"""
5037  return _IMP_atom.Fragment_get_contains_residue(self, *args)
5038 
5039  def __init__(self, *args):
5040  """
5041  __init__(IMP::atom::Fragment self) -> Fragment
5042  __init__(IMP::atom::Fragment self, Model m, ::IMP::kernel::ParticleIndex id) -> Fragment
5043  __init__(IMP::atom::Fragment self, _ParticleAdaptor d) -> Fragment
5044  """
5045  this = _IMP_atom.new_Fragment(*args)
5046  try: self.this.append(this)
5047  except: self.this = this
5048  def get_is_setup(*args):
5049  """
5050  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
5051  get_is_setup(_ParticleAdaptor p) -> bool
5052  """
5053  return _IMP_atom.Fragment_get_is_setup(*args)
5054 
5055  get_is_setup = staticmethod(get_is_setup)
5056  def show(self, *args):
5057  """
5058  show(Fragment self, _ostream out=std::cout)
5059  show(Fragment self)
5060  """
5061  return _IMP_atom.Fragment_show(self, *args)
5062 
5063  def setup_particle(*args):
5064  """
5065  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> Fragment
5066  setup_particle(_ParticleAdaptor decorator) -> Fragment
5067  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Fragment other) -> Fragment
5068  setup_particle(_ParticleAdaptor decorator, Fragment other) -> Fragment
5069  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Ints residue_indexes) -> Fragment
5070  setup_particle(_ParticleAdaptor decorator, IMP::Ints residue_indexes) -> Fragment
5071  """
5072  return _IMP_atom.Fragment_setup_particle(*args)
5073 
5074  setup_particle = staticmethod(setup_particle)
5075  def add_attribute(self, *args):
5076  """
5077  add_attribute(Fragment self, FloatKey k, IMP::Float v, bool opt)
5078  add_attribute(Fragment self, FloatKey a0, IMP::Float a1)
5079  add_attribute(Fragment self, IntKey a0, IMP::Int a1)
5080  add_attribute(Fragment self, StringKey a0, IMP::String a1)
5081  add_attribute(Fragment self, ParticleIndexKey a0, Particle a1)
5082  add_attribute(Fragment self, ObjectKey a0, Object a1)
5083  """
5084  return _IMP_atom.Fragment_add_attribute(self, *args)
5085 
5086  def get_value(self, *args):
5087  """
5088  get_value(Fragment self, FloatKey a0) -> IMP::Float
5089  get_value(Fragment self, IntKey a0) -> IMP::Int
5090  get_value(Fragment self, StringKey a0) -> IMP::String
5091  get_value(Fragment self, ParticleIndexKey a0) -> Particle
5092  get_value(Fragment self, ObjectKey a0) -> Object
5093  """
5094  return _IMP_atom.Fragment_get_value(self, *args)
5095 
5096  def set_value(self, *args):
5097  """
5098  set_value(Fragment self, FloatKey a0, IMP::Float a1)
5099  set_value(Fragment self, IntKey a0, IMP::Int a1)
5100  set_value(Fragment self, StringKey a0, IMP::String a1)
5101  set_value(Fragment self, ParticleIndexKey a0, Particle a1)
5102  set_value(Fragment self, ObjectKey a0, Object a1)
5103  """
5104  return _IMP_atom.Fragment_set_value(self, *args)
5105 
5106  def remove_attribute(self, *args):
5107  """
5108  remove_attribute(Fragment self, FloatKey a0)
5109  remove_attribute(Fragment self, IntKey a0)
5110  remove_attribute(Fragment self, StringKey a0)
5111  remove_attribute(Fragment self, ParticleIndexKey a0)
5112  remove_attribute(Fragment self, ObjectKey a0)
5113  """
5114  return _IMP_atom.Fragment_remove_attribute(self, *args)
5115 
5116  def has_attribute(self, *args):
5117  """
5118  has_attribute(Fragment self, FloatKey a0) -> bool
5119  has_attribute(Fragment self, IntKey a0) -> bool
5120  has_attribute(Fragment self, StringKey a0) -> bool
5121  has_attribute(Fragment self, ParticleIndexKey a0) -> bool
5122  has_attribute(Fragment self, ObjectKey a0) -> bool
5123  """
5124  return _IMP_atom.Fragment_has_attribute(self, *args)
5125 
5126  def get_derivative(self, *args):
5127  """get_derivative(Fragment self, FloatKey a0) -> double"""
5128  return _IMP_atom.Fragment_get_derivative(self, *args)
5129 
5130  def get_name(self):
5131  """get_name(Fragment self) -> std::string"""
5132  return _IMP_atom.Fragment_get_name(self)
5133 
5134  def clear_caches(self):
5135  """clear_caches(Fragment self)"""
5136  return _IMP_atom.Fragment_clear_caches(self)
5137 
5138  def set_name(self, *args):
5139  """set_name(Fragment self, std::string a0)"""
5140  return _IMP_atom.Fragment_set_name(self, *args)
5141 
5142  def set_check_level(self, *args):
5143  """set_check_level(Fragment self, IMP::base::CheckLevel a0)"""
5144  return _IMP_atom.Fragment_set_check_level(self, *args)
5145 
5146  def add_to_derivative(self, *args):
5147  """add_to_derivative(Fragment self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5148  return _IMP_atom.Fragment_add_to_derivative(self, *args)
5149 
5150  def set_is_optimized(self, *args):
5151  """set_is_optimized(Fragment self, FloatKey a0, bool a1)"""
5152  return _IMP_atom.Fragment_set_is_optimized(self, *args)
5153 
5154  def get_is_optimized(self, *args):
5155  """get_is_optimized(Fragment self, FloatKey a0) -> bool"""
5156  return _IMP_atom.Fragment_get_is_optimized(self, *args)
5157 
5158  def get_check_level(self):
5159  """get_check_level(Fragment self) -> IMP::base::CheckLevel"""
5160  return _IMP_atom.Fragment_get_check_level(self)
5161 
5162  def __eq__(self, *args):
5163  """
5164  __eq__(Fragment self, Fragment o) -> bool
5165  __eq__(Fragment self, Particle d) -> bool
5166  """
5167  return _IMP_atom.Fragment___eq__(self, *args)
5168 
5169  def __ne__(self, *args):
5170  """
5171  __ne__(Fragment self, Fragment o) -> bool
5172  __ne__(Fragment self, Particle d) -> bool
5173  """
5174  return _IMP_atom.Fragment___ne__(self, *args)
5175 
5176  def __le__(self, *args):
5177  """
5178  __le__(Fragment self, Fragment o) -> bool
5179  __le__(Fragment self, Particle d) -> bool
5180  """
5181  return _IMP_atom.Fragment___le__(self, *args)
5182 
5183  def __lt__(self, *args):
5184  """
5185  __lt__(Fragment self, Fragment o) -> bool
5186  __lt__(Fragment self, Particle d) -> bool
5187  """
5188  return _IMP_atom.Fragment___lt__(self, *args)
5189 
5190  def __ge__(self, *args):
5191  """
5192  __ge__(Fragment self, Fragment o) -> bool
5193  __ge__(Fragment self, Particle d) -> bool
5194  """
5195  return _IMP_atom.Fragment___ge__(self, *args)
5196 
5197  def __gt__(self, *args):
5198  """
5199  __gt__(Fragment self, Fragment o) -> bool
5200  __gt__(Fragment self, Particle d) -> bool
5201  """
5202  return _IMP_atom.Fragment___gt__(self, *args)
5203 
5204  def __hash__(self):
5205  """__hash__(Fragment self) -> std::size_t"""
5206  return _IMP_atom.Fragment___hash__(self)
5207 
5208  def __str__(self):
5209  """__str__(Fragment self) -> std::string"""
5210  return _IMP_atom.Fragment___str__(self)
5211 
5212  def __repr__(self):
5213  """__repr__(Fragment self) -> std::string"""
5214  return _IMP_atom.Fragment___repr__(self)
5215 
5216  __swig_destroy__ = _IMP_atom.delete_Fragment
5217  __del__ = lambda self : None;
5218 Fragment_swigregister = _IMP_atom.Fragment_swigregister
5219 Fragment_swigregister(Fragment)
5220 
5221 def Fragment_get_is_setup(*args):
5222  """
5223  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
5224  Fragment_get_is_setup(_ParticleAdaptor p) -> bool
5225  """
5226  return _IMP_atom.Fragment_get_is_setup(*args)
5227 
5228 def Fragment_setup_particle(*args):
5229  """
5230  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> Fragment
5231  setup_particle(_ParticleAdaptor decorator) -> Fragment
5232  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Fragment other) -> Fragment
5233  setup_particle(_ParticleAdaptor decorator, Fragment other) -> Fragment
5234  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Ints residue_indexes) -> Fragment
5235  Fragment_setup_particle(_ParticleAdaptor decorator, IMP::Ints residue_indexes) -> Fragment
5236  """
5237  return _IMP_atom.Fragment_setup_particle(*args)
5238 
5239 class StereochemistryPairFilter(IMP.kernel.PairPredicate):
5240  """Proxy of C++ IMP::atom::StereochemistryPairFilter class"""
5241  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5242  def __init__(self):
5243  """__init__(IMP::atom::StereochemistryPairFilter self) -> StereochemistryPairFilter"""
5244  this = _IMP_atom.new_StereochemistryPairFilter()
5245  try: self.this.append(this)
5246  except: self.this = this
5247  def set_bonds(self, *args):
5248  """set_bonds(StereochemistryPairFilter self, IMP::kernel::Particles const & bonds)"""
5249  return _IMP_atom.StereochemistryPairFilter_set_bonds(self, *args)
5250 
5251  def set_angles(self, *args):
5252  """set_angles(StereochemistryPairFilter self, IMP::kernel::Particles const & angles)"""
5253  return _IMP_atom.StereochemistryPairFilter_set_angles(self, *args)
5254 
5255  def set_dihedrals(self, *args):
5256  """set_dihedrals(StereochemistryPairFilter self, IMP::kernel::Particles const & dihedrals)"""
5257  return _IMP_atom.StereochemistryPairFilter_set_dihedrals(self, *args)
5258 
5259  def do_get_inputs(self, *args):
5260  """do_get_inputs(StereochemistryPairFilter self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
5261  return _IMP_atom.StereochemistryPairFilter_do_get_inputs(self, *args)
5262 
5263  def get_value(self, *args):
5264  """
5265  get_value(StereochemistryPairFilter self, IMP::kernel::ParticlePair const & a) -> int
5266  get_value(StereochemistryPairFilter self, IMP::kernel::ParticlePairsTemp const & o) -> IMP::Ints
5267  """
5268  return _IMP_atom.StereochemistryPairFilter_get_value(self, *args)
5269 
5270  def get_value_index(self, *args):
5271  """
5272  get_value_index(StereochemistryPairFilter self, Model m, IMP::kernel::ParticleIndexPair const & p) -> int
5273  get_value_index(StereochemistryPairFilter self, Model m, IMP::kernel::ParticleIndexPairs const & o) -> IMP::Ints
5274  """
5275  return _IMP_atom.StereochemistryPairFilter_get_value_index(self, *args)
5276 
5277  def get_version_info(self):
5278  """get_version_info(StereochemistryPairFilter self) -> VersionInfo"""
5279  return _IMP_atom.StereochemistryPairFilter_get_version_info(self)
5280 
5281  def __str__(self):
5282  """__str__(StereochemistryPairFilter self) -> std::string"""
5283  return _IMP_atom.StereochemistryPairFilter___str__(self)
5284 
5285  def __repr__(self):
5286  """__repr__(StereochemistryPairFilter self) -> std::string"""
5287  return _IMP_atom.StereochemistryPairFilter___repr__(self)
5288 
5289  def get_from(o):
5290  return _object_cast_to_StereochemistryPairFilter(o)
5291  get_from = staticmethod(get_from)
5292 
5293 StereochemistryPairFilter_swigregister = _IMP_atom.StereochemistryPairFilter_swigregister
5294 StereochemistryPairFilter_swigregister(StereochemistryPairFilter)
5295 
5296 class SoapPairFilter(IMP.kernel.PairPredicate):
5297  """Proxy of C++ IMP::atom::SoapPairFilter class"""
5298  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5299  def __init__(self, *args):
5300  """__init__(IMP::atom::SoapPairFilter self, std::string library) -> SoapPairFilter"""
5301  this = _IMP_atom.new_SoapPairFilter(*args)
5302  try: self.this.append(this)
5303  except: self.this = this
5304  def do_get_inputs(self, *args):
5305  """do_get_inputs(SoapPairFilter self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
5306  return _IMP_atom.SoapPairFilter_do_get_inputs(self, *args)
5307 
5308  def get_value(self, *args):
5309  """
5310  get_value(SoapPairFilter self, IMP::kernel::ParticlePair const & a) -> int
5311  get_value(SoapPairFilter self, IMP::kernel::ParticlePairsTemp const & o) -> IMP::Ints
5312  """
5313  return _IMP_atom.SoapPairFilter_get_value(self, *args)
5314 
5315  def get_value_index(self, *args):
5316  """
5317  get_value_index(SoapPairFilter self, Model m, IMP::kernel::ParticleIndexPair const & p) -> int
5318  get_value_index(SoapPairFilter self, Model m, IMP::kernel::ParticleIndexPairs const & o) -> IMP::Ints
5319  """
5320  return _IMP_atom.SoapPairFilter_get_value_index(self, *args)
5321 
5322  def get_version_info(self):
5323  """get_version_info(SoapPairFilter self) -> VersionInfo"""
5324  return _IMP_atom.SoapPairFilter_get_version_info(self)
5325 
5326  def __str__(self):
5327  """__str__(SoapPairFilter self) -> std::string"""
5328  return _IMP_atom.SoapPairFilter___str__(self)
5329 
5330  def __repr__(self):
5331  """__repr__(SoapPairFilter self) -> std::string"""
5332  return _IMP_atom.SoapPairFilter___repr__(self)
5333 
5334  def get_from(o):
5335  return _object_cast_to_SoapPairFilter(o)
5336  get_from = staticmethod(get_from)
5337 
5338 SoapPairFilter_swigregister = _IMP_atom.SoapPairFilter_swigregister
5339 SoapPairFilter_swigregister(SoapPairFilter)
5340 
5341 class Mass(IMP.kernel.Decorator):
5342  """Proxy of C++ IMP::atom::Mass class"""
5343  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5344  def get_mass(self):
5345  """get_mass(Mass self) -> IMP::Float"""
5346  return _IMP_atom.Mass_get_mass(self)
5347 
5348  def set_mass(self, *args):
5349  """set_mass(Mass self, IMP::Float d)"""
5350  return _IMP_atom.Mass_set_mass(self, *args)
5351 
5352  def __init__(self, *args):
5353  """
5354  __init__(IMP::atom::Mass self) -> Mass
5355  __init__(IMP::atom::Mass self, Model m, ::IMP::kernel::ParticleIndex id) -> Mass
5356  __init__(IMP::atom::Mass self, _ParticleAdaptor d) -> Mass
5357  """
5358  this = _IMP_atom.new_Mass(*args)
5359  try: self.this.append(this)
5360  except: self.this = this
5361  def get_is_setup(*args):
5362  """
5363  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
5364  get_is_setup(_ParticleAdaptor p) -> bool
5365  """
5366  return _IMP_atom.Mass_get_is_setup(*args)
5367 
5368  get_is_setup = staticmethod(get_is_setup)
5369  def show(self, *args):
5370  """
5371  show(Mass self, _ostream out=std::cout)
5372  show(Mass self)
5373  """
5374  return _IMP_atom.Mass_show(self, *args)
5375 
5376  def setup_particle(*args):
5377  """
5378  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Float mass) -> Mass
5379  setup_particle(_ParticleAdaptor decorator, IMP::Float mass) -> Mass
5380  """
5381  return _IMP_atom.Mass_setup_particle(*args)
5382 
5383  setup_particle = staticmethod(setup_particle)
5384  def get_mass_key():
5385  """get_mass_key() -> FloatKey"""
5386  return _IMP_atom.Mass_get_mass_key()
5387 
5388  get_mass_key = staticmethod(get_mass_key)
5389  def add_attribute(self, *args):
5390  """
5391  add_attribute(Mass self, FloatKey k, IMP::Float v, bool opt)
5392  add_attribute(Mass self, FloatKey a0, IMP::Float a1)
5393  add_attribute(Mass self, IntKey a0, IMP::Int a1)
5394  add_attribute(Mass self, StringKey a0, IMP::String a1)
5395  add_attribute(Mass self, ParticleIndexKey a0, Particle a1)
5396  add_attribute(Mass self, ObjectKey a0, Object a1)
5397  """
5398  return _IMP_atom.Mass_add_attribute(self, *args)
5399 
5400  def get_value(self, *args):
5401  """
5402  get_value(Mass self, FloatKey a0) -> IMP::Float
5403  get_value(Mass self, IntKey a0) -> IMP::Int
5404  get_value(Mass self, StringKey a0) -> IMP::String
5405  get_value(Mass self, ParticleIndexKey a0) -> Particle
5406  get_value(Mass self, ObjectKey a0) -> Object
5407  """
5408  return _IMP_atom.Mass_get_value(self, *args)
5409 
5410  def set_value(self, *args):
5411  """
5412  set_value(Mass self, FloatKey a0, IMP::Float a1)
5413  set_value(Mass self, IntKey a0, IMP::Int a1)
5414  set_value(Mass self, StringKey a0, IMP::String a1)
5415  set_value(Mass self, ParticleIndexKey a0, Particle a1)
5416  set_value(Mass self, ObjectKey a0, Object a1)
5417  """
5418  return _IMP_atom.Mass_set_value(self, *args)
5419 
5420  def remove_attribute(self, *args):
5421  """
5422  remove_attribute(Mass self, FloatKey a0)
5423  remove_attribute(Mass self, IntKey a0)
5424  remove_attribute(Mass self, StringKey a0)
5425  remove_attribute(Mass self, ParticleIndexKey a0)
5426  remove_attribute(Mass self, ObjectKey a0)
5427  """
5428  return _IMP_atom.Mass_remove_attribute(self, *args)
5429 
5430  def has_attribute(self, *args):
5431  """
5432  has_attribute(Mass self, FloatKey a0) -> bool
5433  has_attribute(Mass self, IntKey a0) -> bool
5434  has_attribute(Mass self, StringKey a0) -> bool
5435  has_attribute(Mass self, ParticleIndexKey a0) -> bool
5436  has_attribute(Mass self, ObjectKey a0) -> bool
5437  """
5438  return _IMP_atom.Mass_has_attribute(self, *args)
5439 
5440  def get_derivative(self, *args):
5441  """get_derivative(Mass self, FloatKey a0) -> double"""
5442  return _IMP_atom.Mass_get_derivative(self, *args)
5443 
5444  def get_name(self):
5445  """get_name(Mass self) -> std::string"""
5446  return _IMP_atom.Mass_get_name(self)
5447 
5448  def clear_caches(self):
5449  """clear_caches(Mass self)"""
5450  return _IMP_atom.Mass_clear_caches(self)
5451 
5452  def set_name(self, *args):
5453  """set_name(Mass self, std::string a0)"""
5454  return _IMP_atom.Mass_set_name(self, *args)
5455 
5456  def set_check_level(self, *args):
5457  """set_check_level(Mass self, IMP::base::CheckLevel a0)"""
5458  return _IMP_atom.Mass_set_check_level(self, *args)
5459 
5460  def add_to_derivative(self, *args):
5461  """add_to_derivative(Mass self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5462  return _IMP_atom.Mass_add_to_derivative(self, *args)
5463 
5464  def set_is_optimized(self, *args):
5465  """set_is_optimized(Mass self, FloatKey a0, bool a1)"""
5466  return _IMP_atom.Mass_set_is_optimized(self, *args)
5467 
5468  def get_is_optimized(self, *args):
5469  """get_is_optimized(Mass self, FloatKey a0) -> bool"""
5470  return _IMP_atom.Mass_get_is_optimized(self, *args)
5471 
5472  def get_check_level(self):
5473  """get_check_level(Mass self) -> IMP::base::CheckLevel"""
5474  return _IMP_atom.Mass_get_check_level(self)
5475 
5476  def __eq__(self, *args):
5477  """
5478  __eq__(Mass self, Mass o) -> bool
5479  __eq__(Mass self, Particle d) -> bool
5480  """
5481  return _IMP_atom.Mass___eq__(self, *args)
5482 
5483  def __ne__(self, *args):
5484  """
5485  __ne__(Mass self, Mass o) -> bool
5486  __ne__(Mass self, Particle d) -> bool
5487  """
5488  return _IMP_atom.Mass___ne__(self, *args)
5489 
5490  def __le__(self, *args):
5491  """
5492  __le__(Mass self, Mass o) -> bool
5493  __le__(Mass self, Particle d) -> bool
5494  """
5495  return _IMP_atom.Mass___le__(self, *args)
5496 
5497  def __lt__(self, *args):
5498  """
5499  __lt__(Mass self, Mass o) -> bool
5500  __lt__(Mass self, Particle d) -> bool
5501  """
5502  return _IMP_atom.Mass___lt__(self, *args)
5503 
5504  def __ge__(self, *args):
5505  """
5506  __ge__(Mass self, Mass o) -> bool
5507  __ge__(Mass self, Particle d) -> bool
5508  """
5509  return _IMP_atom.Mass___ge__(self, *args)
5510 
5511  def __gt__(self, *args):
5512  """
5513  __gt__(Mass self, Mass o) -> bool
5514  __gt__(Mass self, Particle d) -> bool
5515  """
5516  return _IMP_atom.Mass___gt__(self, *args)
5517 
5518  def __hash__(self):
5519  """__hash__(Mass self) -> std::size_t"""
5520  return _IMP_atom.Mass___hash__(self)
5521 
5522  def __str__(self):
5523  """__str__(Mass self) -> std::string"""
5524  return _IMP_atom.Mass___str__(self)
5525 
5526  def __repr__(self):
5527  """__repr__(Mass self) -> std::string"""
5528  return _IMP_atom.Mass___repr__(self)
5529 
5530  __swig_destroy__ = _IMP_atom.delete_Mass
5531  __del__ = lambda self : None;
5532 Mass_swigregister = _IMP_atom.Mass_swigregister
5533 Mass_swigregister(Mass)
5534 
5535 def Mass_get_is_setup(*args):
5536  """
5537  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
5538  Mass_get_is_setup(_ParticleAdaptor p) -> bool
5539  """
5540  return _IMP_atom.Mass_get_is_setup(*args)
5541 
5542 def Mass_setup_particle(*args):
5543  """
5544  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Float mass) -> Mass
5545  Mass_setup_particle(_ParticleAdaptor decorator, IMP::Float mass) -> Mass
5546  """
5547  return _IMP_atom.Mass_setup_particle(*args)
5548 
5549 def Mass_get_mass_key():
5550  """Mass_get_mass_key() -> FloatKey"""
5551  return _IMP_atom.Mass_get_mass_key()
5552 
5553 class BondedPairFilter(IMP.kernel.PairPredicate):
5554  """Proxy of C++ IMP::atom::BondedPairFilter class"""
5555  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5556  def __init__(self):
5557  """__init__(IMP::atom::BondedPairFilter self) -> BondedPairFilter"""
5558  this = _IMP_atom.new_BondedPairFilter()
5559  try: self.this.append(this)
5560  except: self.this = this
5561  def do_get_inputs(self, *args):
5562  """do_get_inputs(BondedPairFilter self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
5563  return _IMP_atom.BondedPairFilter_do_get_inputs(self, *args)
5564 
5565  def get_value(self, *args):
5566  """
5567  get_value(BondedPairFilter self, IMP::kernel::ParticlePair const & a) -> int
5568  get_value(BondedPairFilter self, IMP::kernel::ParticlePairsTemp const & o) -> IMP::Ints
5569  """
5570  return _IMP_atom.BondedPairFilter_get_value(self, *args)
5571 
5572  def get_value_index(self, *args):
5573  """
5574  get_value_index(BondedPairFilter self, Model m, IMP::kernel::ParticleIndexPair const & p) -> int
5575  get_value_index(BondedPairFilter self, Model m, IMP::kernel::ParticleIndexPairs const & o) -> IMP::Ints
5576  """
5577  return _IMP_atom.BondedPairFilter_get_value_index(self, *args)
5578 
5579  def get_version_info(self):
5580  """get_version_info(BondedPairFilter self) -> VersionInfo"""
5581  return _IMP_atom.BondedPairFilter_get_version_info(self)
5582 
5583  def __str__(self):
5584  """__str__(BondedPairFilter self) -> std::string"""
5585  return _IMP_atom.BondedPairFilter___str__(self)
5586 
5587  def __repr__(self):
5588  """__repr__(BondedPairFilter self) -> std::string"""
5589  return _IMP_atom.BondedPairFilter___repr__(self)
5590 
5591  def get_from(o):
5592  return _object_cast_to_BondedPairFilter(o)
5593  get_from = staticmethod(get_from)
5594 
5595 BondedPairFilter_swigregister = _IMP_atom.BondedPairFilter_swigregister
5596 BondedPairFilter_swigregister(BondedPairFilter)
5597 
5598 class Mol2Selector(IMP.base.Object):
5599  """Proxy of C++ IMP::atom::Mol2Selector class"""
5600  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5601  def __init__(self, *args, **kwargs): raise AttributeError("No constructor defined - class is abstract")
5602  def get_is_selected(self, *args):
5603  """get_is_selected(Mol2Selector self, std::string const & atom_line) -> bool"""
5604  return _IMP_atom.Mol2Selector_get_is_selected(self, *args)
5605 
5606  __swig_destroy__ = _IMP_atom.delete_Mol2Selector
5607  __del__ = lambda self : None;
5608  def __str__(self):
5609  """__str__(Mol2Selector self) -> std::string"""
5610  return _IMP_atom.Mol2Selector___str__(self)
5611 
5612  def __repr__(self):
5613  """__repr__(Mol2Selector self) -> std::string"""
5614  return _IMP_atom.Mol2Selector___repr__(self)
5615 
5616  def get_from(o):
5617  return _object_cast_to_Mol2Selector(o)
5618  get_from = staticmethod(get_from)
5619 
5620 Mol2Selector_swigregister = _IMP_atom.Mol2Selector_swigregister
5621 Mol2Selector_swigregister(Mol2Selector)
5622 
5623 class AllMol2Selector(Mol2Selector):
5624  """Proxy of C++ IMP::atom::AllMol2Selector class"""
5625  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5626  def get_version_info(self):
5627  """get_version_info(AllMol2Selector self) -> VersionInfo"""
5628  return _IMP_atom.AllMol2Selector_get_version_info(self)
5629 
5630  def __str__(self):
5631  """__str__(AllMol2Selector self) -> std::string"""
5632  return _IMP_atom.AllMol2Selector___str__(self)
5633 
5634  def __repr__(self):
5635  """__repr__(AllMol2Selector self) -> std::string"""
5636  return _IMP_atom.AllMol2Selector___repr__(self)
5637 
5638  def get_from(o):
5639  return _object_cast_to_AllMol2Selector(o)
5640  get_from = staticmethod(get_from)
5641 
5642  def __init__(self):
5643  """__init__(IMP::atom::AllMol2Selector self) -> AllMol2Selector"""
5644  this = _IMP_atom.new_AllMol2Selector()
5645  try: self.this.append(this)
5646  except: self.this = this
5647 AllMol2Selector_swigregister = _IMP_atom.AllMol2Selector_swigregister
5648 AllMol2Selector_swigregister(AllMol2Selector)
5649 
5650 class NonHydrogenMol2Selector(Mol2Selector):
5651  """Proxy of C++ IMP::atom::NonHydrogenMol2Selector class"""
5652  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5653  def get_version_info(self):
5654  """get_version_info(NonHydrogenMol2Selector self) -> VersionInfo"""
5655  return _IMP_atom.NonHydrogenMol2Selector_get_version_info(self)
5656 
5657  def __str__(self):
5658  """__str__(NonHydrogenMol2Selector self) -> std::string"""
5659  return _IMP_atom.NonHydrogenMol2Selector___str__(self)
5660 
5661  def __repr__(self):
5662  """__repr__(NonHydrogenMol2Selector self) -> std::string"""
5663  return _IMP_atom.NonHydrogenMol2Selector___repr__(self)
5664 
5665  def get_from(o):
5666  return _object_cast_to_NonHydrogenMol2Selector(o)
5667  get_from = staticmethod(get_from)
5668 
5669  def __init__(self):
5670  """__init__(IMP::atom::NonHydrogenMol2Selector self) -> NonHydrogenMol2Selector"""
5671  this = _IMP_atom.new_NonHydrogenMol2Selector()
5672  try: self.this.append(this)
5673  except: self.this = this
5674 NonHydrogenMol2Selector_swigregister = _IMP_atom.NonHydrogenMol2Selector_swigregister
5675 NonHydrogenMol2Selector_swigregister(NonHydrogenMol2Selector)
5676 
5677 
5678 def read_mol2(*args):
5679  """
5680  read_mol2(TextInput mol2_file, Model model, Mol2Selector mol2sel=None) -> Hierarchy
5681  read_mol2(TextInput mol2_file, Model model) -> Hierarchy
5682  """
5683  return _IMP_atom.read_mol2(*args)
5684 
5685 def write_mol2(*args):
5686  """write_mol2(Hierarchy rhd, TextOutput file_name)"""
5687  return _IMP_atom.write_mol2(*args)
5688 class SecondaryStructureResidue(IMP.kernel.Decorator):
5689  """Proxy of C++ IMP::atom::SecondaryStructureResidue class"""
5690  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5691  def __init__(self, *args):
5692  """
5693  __init__(IMP::atom::SecondaryStructureResidue self) -> SecondaryStructureResidue
5694  __init__(IMP::atom::SecondaryStructureResidue self, Model m, ::IMP::kernel::ParticleIndex id) -> SecondaryStructureResidue
5695  __init__(IMP::atom::SecondaryStructureResidue self, _ParticleAdaptor d) -> SecondaryStructureResidue
5696  """
5697  this = _IMP_atom.new_SecondaryStructureResidue(*args)
5698  try: self.this.append(this)
5699  except: self.this = this
5700  def show(self, *args):
5701  """
5702  show(SecondaryStructureResidue self, _ostream out=std::cout)
5703  show(SecondaryStructureResidue self)
5704  """
5705  return _IMP_atom.SecondaryStructureResidue_show(self, *args)
5706 
5707  def setup_particle(*args):
5708  """
5709  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Float prob_helix, IMP::Float prob_strand,
5710  IMP::Float prob_coil) -> SecondaryStructureResidue
5711  setup_particle(_ParticleAdaptor decorator, IMP::Float prob_helix, IMP::Float prob_strand, IMP::Float prob_coil) -> SecondaryStructureResidue
5712  setup_particle(Particle res_p) -> SecondaryStructureResidue
5713  """
5714  return _IMP_atom.SecondaryStructureResidue_setup_particle(*args)
5715 
5716  setup_particle = staticmethod(setup_particle)
5717  def get_is_setup(*args):
5718  """
5719  get_is_setup(_ParticleAdaptor p) -> bool
5720  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
5721  """
5722  return _IMP_atom.SecondaryStructureResidue_get_is_setup(*args)
5723 
5724  get_is_setup = staticmethod(get_is_setup)
5725  def get_particle(self):
5726  """get_particle(SecondaryStructureResidue self) -> Particle"""
5727  return _IMP_atom.SecondaryStructureResidue_get_particle(self)
5728 
5729  def get_all_probabilities(self):
5730  """get_all_probabilities(SecondaryStructureResidue self) -> IMP::Floats"""
5731  return _IMP_atom.SecondaryStructureResidue_get_all_probabilities(self)
5732 
5733  def get_prob_helix(self):
5734  """get_prob_helix(SecondaryStructureResidue self) -> IMP::Float"""
5735  return _IMP_atom.SecondaryStructureResidue_get_prob_helix(self)
5736 
5737  def set_prob_helix(self, *args):
5738  """set_prob_helix(SecondaryStructureResidue self, IMP::Float t)"""
5739  return _IMP_atom.SecondaryStructureResidue_set_prob_helix(self, *args)
5740 
5741  def get_prob_strand(self):
5742  """get_prob_strand(SecondaryStructureResidue self) -> IMP::Float"""
5743  return _IMP_atom.SecondaryStructureResidue_get_prob_strand(self)
5744 
5745  def set_prob_strand(self, *args):
5746  """set_prob_strand(SecondaryStructureResidue self, IMP::Float t)"""
5747  return _IMP_atom.SecondaryStructureResidue_set_prob_strand(self, *args)
5748 
5749  def get_prob_coil(self):
5750  """get_prob_coil(SecondaryStructureResidue self) -> IMP::Float"""
5751  return _IMP_atom.SecondaryStructureResidue_get_prob_coil(self)
5752 
5753  def set_prob_coil(self, *args):
5754  """set_prob_coil(SecondaryStructureResidue self, IMP::Float t)"""
5755  return _IMP_atom.SecondaryStructureResidue_set_prob_coil(self, *args)
5756 
5757  def get_prob_helix_key():
5758  """get_prob_helix_key() -> FloatKey"""
5759  return _IMP_atom.SecondaryStructureResidue_get_prob_helix_key()
5760 
5761  get_prob_helix_key = staticmethod(get_prob_helix_key)
5762  def get_prob_strand_key():
5763  """get_prob_strand_key() -> FloatKey"""
5764  return _IMP_atom.SecondaryStructureResidue_get_prob_strand_key()
5765 
5766  get_prob_strand_key = staticmethod(get_prob_strand_key)
5767  def get_prob_coil_key():
5768  """get_prob_coil_key() -> FloatKey"""
5769  return _IMP_atom.SecondaryStructureResidue_get_prob_coil_key()
5770 
5771  get_prob_coil_key = staticmethod(get_prob_coil_key)
5772  def add_attribute(self, *args):
5773  """
5774  add_attribute(SecondaryStructureResidue self, FloatKey k, IMP::Float v, bool opt)
5775  add_attribute(SecondaryStructureResidue self, FloatKey a0, IMP::Float a1)
5776  add_attribute(SecondaryStructureResidue self, IntKey a0, IMP::Int a1)
5777  add_attribute(SecondaryStructureResidue self, StringKey a0, IMP::String a1)
5778  add_attribute(SecondaryStructureResidue self, ParticleIndexKey a0, Particle a1)
5779  add_attribute(SecondaryStructureResidue self, ObjectKey a0, Object a1)
5780  """
5781  return _IMP_atom.SecondaryStructureResidue_add_attribute(self, *args)
5782 
5783  def get_value(self, *args):
5784  """
5785  get_value(SecondaryStructureResidue self, FloatKey a0) -> IMP::Float
5786  get_value(SecondaryStructureResidue self, IntKey a0) -> IMP::Int
5787  get_value(SecondaryStructureResidue self, StringKey a0) -> IMP::String
5788  get_value(SecondaryStructureResidue self, ParticleIndexKey a0) -> Particle
5789  get_value(SecondaryStructureResidue self, ObjectKey a0) -> Object
5790  """
5791  return _IMP_atom.SecondaryStructureResidue_get_value(self, *args)
5792 
5793  def set_value(self, *args):
5794  """
5795  set_value(SecondaryStructureResidue self, FloatKey a0, IMP::Float a1)
5796  set_value(SecondaryStructureResidue self, IntKey a0, IMP::Int a1)
5797  set_value(SecondaryStructureResidue self, StringKey a0, IMP::String a1)
5798  set_value(SecondaryStructureResidue self, ParticleIndexKey a0, Particle a1)
5799  set_value(SecondaryStructureResidue self, ObjectKey a0, Object a1)
5800  """
5801  return _IMP_atom.SecondaryStructureResidue_set_value(self, *args)
5802 
5803  def remove_attribute(self, *args):
5804  """
5805  remove_attribute(SecondaryStructureResidue self, FloatKey a0)
5806  remove_attribute(SecondaryStructureResidue self, IntKey a0)
5807  remove_attribute(SecondaryStructureResidue self, StringKey a0)
5808  remove_attribute(SecondaryStructureResidue self, ParticleIndexKey a0)
5809  remove_attribute(SecondaryStructureResidue self, ObjectKey a0)
5810  """
5811  return _IMP_atom.SecondaryStructureResidue_remove_attribute(self, *args)
5812 
5813  def has_attribute(self, *args):
5814  """
5815  has_attribute(SecondaryStructureResidue self, FloatKey a0) -> bool
5816  has_attribute(SecondaryStructureResidue self, IntKey a0) -> bool
5817  has_attribute(SecondaryStructureResidue self, StringKey a0) -> bool
5818  has_attribute(SecondaryStructureResidue self, ParticleIndexKey a0) -> bool
5819  has_attribute(SecondaryStructureResidue self, ObjectKey a0) -> bool
5820  """
5821  return _IMP_atom.SecondaryStructureResidue_has_attribute(self, *args)
5822 
5823  def get_derivative(self, *args):
5824  """get_derivative(SecondaryStructureResidue self, FloatKey a0) -> double"""
5825  return _IMP_atom.SecondaryStructureResidue_get_derivative(self, *args)
5826 
5827  def get_name(self):
5828  """get_name(SecondaryStructureResidue self) -> std::string"""
5829  return _IMP_atom.SecondaryStructureResidue_get_name(self)
5830 
5831  def clear_caches(self):
5832  """clear_caches(SecondaryStructureResidue self)"""
5833  return _IMP_atom.SecondaryStructureResidue_clear_caches(self)
5834 
5835  def set_name(self, *args):
5836  """set_name(SecondaryStructureResidue self, std::string a0)"""
5837  return _IMP_atom.SecondaryStructureResidue_set_name(self, *args)
5838 
5839  def set_check_level(self, *args):
5840  """set_check_level(SecondaryStructureResidue self, IMP::base::CheckLevel a0)"""
5841  return _IMP_atom.SecondaryStructureResidue_set_check_level(self, *args)
5842 
5843  def add_to_derivative(self, *args):
5844  """add_to_derivative(SecondaryStructureResidue self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5845  return _IMP_atom.SecondaryStructureResidue_add_to_derivative(self, *args)
5846 
5847  def set_is_optimized(self, *args):
5848  """set_is_optimized(SecondaryStructureResidue self, FloatKey a0, bool a1)"""
5849  return _IMP_atom.SecondaryStructureResidue_set_is_optimized(self, *args)
5850 
5851  def get_is_optimized(self, *args):
5852  """get_is_optimized(SecondaryStructureResidue self, FloatKey a0) -> bool"""
5853  return _IMP_atom.SecondaryStructureResidue_get_is_optimized(self, *args)
5854 
5855  def get_check_level(self):
5856  """get_check_level(SecondaryStructureResidue self) -> IMP::base::CheckLevel"""
5857  return _IMP_atom.SecondaryStructureResidue_get_check_level(self)
5858 
5859  def __eq__(self, *args):
5860  """
5861  __eq__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
5862  __eq__(SecondaryStructureResidue self, Particle d) -> bool
5863  """
5864  return _IMP_atom.SecondaryStructureResidue___eq__(self, *args)
5865 
5866  def __ne__(self, *args):
5867  """
5868  __ne__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
5869  __ne__(SecondaryStructureResidue self, Particle d) -> bool
5870  """
5871  return _IMP_atom.SecondaryStructureResidue___ne__(self, *args)
5872 
5873  def __le__(self, *args):
5874  """
5875  __le__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
5876  __le__(SecondaryStructureResidue self, Particle d) -> bool
5877  """
5878  return _IMP_atom.SecondaryStructureResidue___le__(self, *args)
5879 
5880  def __lt__(self, *args):
5881  """
5882  __lt__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
5883  __lt__(SecondaryStructureResidue self, Particle d) -> bool
5884  """
5885  return _IMP_atom.SecondaryStructureResidue___lt__(self, *args)
5886 
5887  def __ge__(self, *args):
5888  """
5889  __ge__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
5890  __ge__(SecondaryStructureResidue self, Particle d) -> bool
5891  """
5892  return _IMP_atom.SecondaryStructureResidue___ge__(self, *args)
5893 
5894  def __gt__(self, *args):
5895  """
5896  __gt__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
5897  __gt__(SecondaryStructureResidue self, Particle d) -> bool
5898  """
5899  return _IMP_atom.SecondaryStructureResidue___gt__(self, *args)
5900 
5901  def __hash__(self):
5902  """__hash__(SecondaryStructureResidue self) -> std::size_t"""
5903  return _IMP_atom.SecondaryStructureResidue___hash__(self)
5904 
5905  def __str__(self):
5906  """__str__(SecondaryStructureResidue self) -> std::string"""
5907  return _IMP_atom.SecondaryStructureResidue___str__(self)
5908 
5909  def __repr__(self):
5910  """__repr__(SecondaryStructureResidue self) -> std::string"""
5911  return _IMP_atom.SecondaryStructureResidue___repr__(self)
5912 
5913  __swig_destroy__ = _IMP_atom.delete_SecondaryStructureResidue
5914  __del__ = lambda self : None;
5915 SecondaryStructureResidue_swigregister = _IMP_atom.SecondaryStructureResidue_swigregister
5916 SecondaryStructureResidue_swigregister(SecondaryStructureResidue)
5917 
5918 def SecondaryStructureResidue_setup_particle(*args):
5919  """
5920  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Float prob_helix, IMP::Float prob_strand,
5921  IMP::Float prob_coil) -> SecondaryStructureResidue
5922  setup_particle(_ParticleAdaptor decorator, IMP::Float prob_helix, IMP::Float prob_strand, IMP::Float prob_coil) -> SecondaryStructureResidue
5923  SecondaryStructureResidue_setup_particle(Particle res_p) -> SecondaryStructureResidue
5924  """
5925  return _IMP_atom.SecondaryStructureResidue_setup_particle(*args)
5926 
5927 def SecondaryStructureResidue_get_is_setup(*args):
5928  """
5929  get_is_setup(_ParticleAdaptor p) -> bool
5930  SecondaryStructureResidue_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
5931  """
5932  return _IMP_atom.SecondaryStructureResidue_get_is_setup(*args)
5933 
5934 def SecondaryStructureResidue_get_prob_helix_key():
5935  """SecondaryStructureResidue_get_prob_helix_key() -> FloatKey"""
5936  return _IMP_atom.SecondaryStructureResidue_get_prob_helix_key()
5937 
5938 def SecondaryStructureResidue_get_prob_strand_key():
5939  """SecondaryStructureResidue_get_prob_strand_key() -> FloatKey"""
5940  return _IMP_atom.SecondaryStructureResidue_get_prob_strand_key()
5941 
5942 def SecondaryStructureResidue_get_prob_coil_key():
5943  """SecondaryStructureResidue_get_prob_coil_key() -> FloatKey"""
5944  return _IMP_atom.SecondaryStructureResidue_get_prob_coil_key()
5945 
5946 
5948  """
5949  setup_coarse_secondary_structure_residue(IMP::kernel::Particles const & ssr_ps, Model mdl, bool winner_takes_all_per_res=False) -> SecondaryStructureResidue
5950  setup_coarse_secondary_structure_residue(IMP::kernel::Particles const & ssr_ps, Model mdl) -> SecondaryStructureResidue
5951  """
5952  return _IMP_atom.setup_coarse_secondary_structure_residue(*args)
5953 
5955  """
5956  setup_coarse_secondary_structure_residues(IMP::kernel::Particles const & ssr_ps, Model mdl, int coarse_factor, int start_res_num,
5957  bool winner_takes_all_per_res=False) -> IMP::atom::SecondaryStructureResidues
5958  setup_coarse_secondary_structure_residues(IMP::kernel::Particles const & ssr_ps, Model mdl, int coarse_factor, int start_res_num) -> IMP::atom::SecondaryStructureResidues
5959  """
5960  return _IMP_atom.setup_coarse_secondary_structure_residues(*args)
5961 
5963  """get_secondary_structure_match_score(SecondaryStructureResidue ssr1, SecondaryStructureResidue ssr2) -> IMP::Float"""
5964  return _IMP_atom.get_secondary_structure_match_score(*args)
5965 
5966 def read_psipred(*args):
5967  """
5968  read_psipred(TextInput inf, Model mdl) -> IMP::atom::SecondaryStructureResidues
5969  read_psipred(TextInput inf, IMP::kernel::Particles ps) -> IMP::atom::SecondaryStructureResidues
5970  """
5971  return _IMP_atom.read_psipred(*args)
5972 class _ADopeBase(IMP.kernel.PairScore):
5973  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::Dope)> class"""
5974  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5975  __repr__ = _swig_repr
5976  def __init__(self, *args):
5977  """
5978  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::Dope)> self, Dope t0, std::string name="FunctorDistancePairScore %1%") -> _ADopeBase
5979  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::Dope)> self, Dope t0) -> _ADopeBase
5980  """
5981  this = _IMP_atom.new__ADopeBase(*args)
5982  try: self.this.append(this)
5983  except: self.this = this
5984  def do_get_inputs(self, *args):
5985  """do_get_inputs(_ADopeBase self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
5986  return _IMP_atom._ADopeBase_do_get_inputs(self, *args)
5987 
5988  def get_score_functor(self):
5989  """get_score_functor(_ADopeBase self) -> Dope"""
5990  return _IMP_atom._ADopeBase_get_score_functor(self)
5991 
5992  def get_version_info(self):
5993  """get_version_info(_ADopeBase self) -> VersionInfo"""
5994  return _IMP_atom._ADopeBase_get_version_info(self)
5995 
5996 _ADopeBase_swigregister = _IMP_atom._ADopeBase_swigregister
5997 _ADopeBase_swigregister(_ADopeBase)
5998 
5999 class _BDopeBase(IMP.kernel.PairScore):
6000  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::Statistical<(IMP::atom::DopeType,false,true,false)>)> class"""
6001  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6002  __repr__ = _swig_repr
6003  def __init__(self, *args):
6004  """
6005  __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,
6006  std::string name="FunctorDistancePairScore %1%") -> _BDopeBase
6007  __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
6008  """
6009  this = _IMP_atom.new__BDopeBase(*args)
6010  try: self.this.append(this)
6011  except: self.this = this
6012  def do_get_inputs(self, *args):
6013  """do_get_inputs(_BDopeBase self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
6014  return _IMP_atom._BDopeBase_do_get_inputs(self, *args)
6015 
6016  def get_score_functor(self):
6017  """get_score_functor(_BDopeBase self) -> _DopeBase"""
6018  return _IMP_atom._BDopeBase_get_score_functor(self)
6019 
6020  def get_version_info(self):
6021  """get_version_info(_BDopeBase self) -> VersionInfo"""
6022  return _IMP_atom._BDopeBase_get_version_info(self)
6023 
6024 _BDopeBase_swigregister = _IMP_atom._BDopeBase_swigregister
6025 _BDopeBase_swigregister(_BDopeBase)
6026 
6027 class _OrientedSoapBase(IMP.kernel.PairScore):
6028  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::OrientedSoap)> class"""
6029  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6030  __repr__ = _swig_repr
6031  def __init__(self, *args):
6032  """
6033  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::OrientedSoap)> self, IMP::score_functor::DistancePairScore< IMP::score_functor::OrientedSoap >::DistanceScore const & t0,
6034  std::string name="FunctorDistancePairScore %1%") -> _OrientedSoapBase
6035  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::OrientedSoap)> self, IMP::score_functor::DistancePairScore< IMP::score_functor::OrientedSoap >::DistanceScore const & t0) -> _OrientedSoapBase
6036  """
6037  this = _IMP_atom.new__OrientedSoapBase(*args)
6038  try: self.this.append(this)
6039  except: self.this = this
6040  def do_get_inputs(self, *args):
6041  """do_get_inputs(_OrientedSoapBase self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
6042  return _IMP_atom._OrientedSoapBase_do_get_inputs(self, *args)
6043 
6044  def get_score_functor(self):
6045  """get_score_functor(_OrientedSoapBase self) -> IMP::score_functor::OrientedSoap &"""
6046  return _IMP_atom._OrientedSoapBase_get_score_functor(self)
6047 
6048  def get_version_info(self):
6049  """get_version_info(_OrientedSoapBase self) -> VersionInfo"""
6050  return _IMP_atom._OrientedSoapBase_get_version_info(self)
6051 
6052 _OrientedSoapBase_swigregister = _IMP_atom._OrientedSoapBase_swigregister
6053 _OrientedSoapBase_swigregister(_OrientedSoapBase)
6054 
6055 class _SPSFTB(IMP.kernel.PairScore):
6056  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::Statistical<(IMP::atom::ProteinLigandType,true,false)>)> class"""
6057  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6058  __repr__ = _swig_repr
6059  def __init__(self, *args):
6060  """
6061  __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,
6062  std::string name="FunctorDistancePairScore %1%") -> _SPSFTB
6063  __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
6064  """
6065  this = _IMP_atom.new__SPSFTB(*args)
6066  try: self.this.append(this)
6067  except: self.this = this
6068  def do_get_inputs(self, *args):
6069  """do_get_inputs(_SPSFTB self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
6070  return _IMP_atom._SPSFTB_do_get_inputs(self, *args)
6071 
6072  def get_score_functor(self):
6073  """get_score_functor(_SPSFTB self) -> IMP::score_functor::Statistical< IMP::atom::ProteinLigandType,true,false,false > &"""
6074  return _IMP_atom._SPSFTB_get_score_functor(self)
6075 
6076  def get_version_info(self):
6077  """get_version_info(_SPSFTB self) -> VersionInfo"""
6078  return _IMP_atom._SPSFTB_get_version_info(self)
6079 
6080 _SPSFTB_swigregister = _IMP_atom._SPSFTB_swigregister
6081 _SPSFTB_swigregister(_SPSFTB)
6082 
6083 class _SPSTF(_SPSFTB):
6084  """Proxy of C++ IMP::core::StatisticalPairScore<(IMP::atom::ProteinLigandType,true,false)> class"""
6085  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6086  __repr__ = _swig_repr
6087  def __init__(self, *args):
6088  """
6089  __init__(IMP::core::StatisticalPairScore<(IMP::atom::ProteinLigandType,true,false)> self, IntKey k, double threshold, TextInput data_file) -> _SPSTF
6090  __init__(IMP::core::StatisticalPairScore<(IMP::atom::ProteinLigandType,true,false)> self, IntKey k, double threshold, TextInput data_file, unsigned int shift) -> _SPSTF
6091  """
6092  this = _IMP_atom.new__SPSTF(*args)
6093  try: self.this.append(this)
6094  except: self.this = this
6095  __swig_destroy__ = _IMP_atom.delete__SPSTF
6096  __del__ = lambda self : None;
6097 _SPSTF_swigregister = _IMP_atom._SPSTF_swigregister
6098 _SPSTF_swigregister(_SPSTF)
6099 
6100 class _SPSFT(_BDopeBase):
6101  """Proxy of C++ IMP::core::StatisticalPairScore<(IMP::atom::DopeType,false,true)> class"""
6102  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6103  __repr__ = _swig_repr
6104  def __init__(self, *args):
6105  """
6106  __init__(IMP::core::StatisticalPairScore<(IMP::atom::DopeType,false,true)> self, IntKey k, double threshold, TextInput data_file) -> _SPSFT
6107  __init__(IMP::core::StatisticalPairScore<(IMP::atom::DopeType,false,true)> self, IntKey k, double threshold, TextInput data_file, unsigned int shift) -> _SPSFT
6108  """
6109  this = _IMP_atom.new__SPSFT(*args)
6110  try: self.this.append(this)
6111  except: self.this = this
6112  __swig_destroy__ = _IMP_atom.delete__SPSFT
6113  __del__ = lambda self : None;
6114 _SPSFT_swigregister = _IMP_atom._SPSFT_swigregister
6115 _SPSFT_swigregister(_SPSFT)
6116 
6117 class ProteinLigandAtomPairScore(_SPSTF):
6118  """Proxy of C++ IMP::atom::ProteinLigandAtomPairScore class"""
6119  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6120  def __init__(self, *args):
6121  """
6122  __init__(IMP::atom::ProteinLigandAtomPairScore self, double threshold=std::numeric_limits< double >::max()) -> ProteinLigandAtomPairScore
6123  __init__(IMP::atom::ProteinLigandAtomPairScore self) -> ProteinLigandAtomPairScore
6124  __init__(IMP::atom::ProteinLigandAtomPairScore self, double threshold, TextInput data_file) -> ProteinLigandAtomPairScore
6125  """
6126  this = _IMP_atom.new_ProteinLigandAtomPairScore(*args)
6127  try: self.this.append(this)
6128  except: self.this = this
6129  def get_maximum_distance(self):
6130  """get_maximum_distance(ProteinLigandAtomPairScore self) -> double"""
6131  return _IMP_atom.ProteinLigandAtomPairScore_get_maximum_distance(self)
6132 
6133  def __str__(self):
6134  """__str__(ProteinLigandAtomPairScore self) -> std::string"""
6135  return _IMP_atom.ProteinLigandAtomPairScore___str__(self)
6136 
6137  def __repr__(self):
6138  """__repr__(ProteinLigandAtomPairScore self) -> std::string"""
6139  return _IMP_atom.ProteinLigandAtomPairScore___repr__(self)
6140 
6141  def get_from(o):
6142  return _object_cast_to_ProteinLigandAtomPairScore(o)
6143  get_from = staticmethod(get_from)
6144 
6145  __swig_destroy__ = _IMP_atom.delete_ProteinLigandAtomPairScore
6146  __del__ = lambda self : None;
6147 ProteinLigandAtomPairScore_swigregister = _IMP_atom.ProteinLigandAtomPairScore_swigregister
6148 ProteinLigandAtomPairScore_swigregister(ProteinLigandAtomPairScore)
6149 
6150 class ProteinLigandRestraint(IMP.container.PairsRestraint):
6151  """Proxy of C++ IMP::atom::ProteinLigandRestraint class"""
6152  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6153  def __init__(self, *args):
6154  """
6155  __init__(IMP::atom::ProteinLigandRestraint self, Hierarchy protein, Hierarchy ligand, double threshold=std::numeric_limits< double >::max()) -> ProteinLigandRestraint
6156  __init__(IMP::atom::ProteinLigandRestraint self, Hierarchy protein, Hierarchy ligand) -> ProteinLigandRestraint
6157  __init__(IMP::atom::ProteinLigandRestraint self, Hierarchy protein, Hierarchy ligand, double threshold, TextInput data_file) -> ProteinLigandRestraint
6158  """
6159  this = _IMP_atom.new_ProteinLigandRestraint(*args)
6160  try: self.this.append(this)
6161  except: self.this = this
6162  def __str__(self):
6163  """__str__(ProteinLigandRestraint self) -> std::string"""
6164  return _IMP_atom.ProteinLigandRestraint___str__(self)
6165 
6166  def __repr__(self):
6167  """__repr__(ProteinLigandRestraint self) -> std::string"""
6168  return _IMP_atom.ProteinLigandRestraint___repr__(self)
6169 
6170  def get_from(o):
6171  return _object_cast_to_ProteinLigandRestraint(o)
6172  get_from = staticmethod(get_from)
6173 
6174  __swig_destroy__ = _IMP_atom.delete_ProteinLigandRestraint
6175  __del__ = lambda self : None;
6176 ProteinLigandRestraint_swigregister = _IMP_atom.ProteinLigandRestraint_swigregister
6177 ProteinLigandRestraint_swigregister(ProteinLigandRestraint)
6178 
6179 
6181  """add_protein_ligand_score_data(Hierarchy h)"""
6182  return _IMP_atom.add_protein_ligand_score_data(*args)
6183 class AtomType(IMP.base._Value):
6184  """Proxy of C++ IMP::Key<(8974343,false)> class"""
6185  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6186  def __init__(self, *args):
6187  """
6188  __init__(IMP::Key<(8974343,false)> self) -> AtomType
6189  __init__(IMP::Key<(8974343,false)> self, std::string c) -> AtomType
6190  __init__(IMP::Key<(8974343,false)> self, unsigned int i) -> AtomType
6191  """
6192  this = _IMP_atom.new_AtomType(*args)
6193  try: self.this.append(this)
6194  except: self.this = this
6195  def add_key(*args):
6196  """add_key(std::string sc) -> unsigned int"""
6197  return _IMP_atom.AtomType_add_key(*args)
6198 
6199  add_key = staticmethod(add_key)
6200  def get_key_exists(*args):
6201  """get_key_exists(std::string sc) -> bool"""
6202  return _IMP_atom.AtomType_get_key_exists(*args)
6203 
6204  get_key_exists = staticmethod(get_key_exists)
6205  def get_string(self):
6206  """get_string(AtomType self) -> std::string const"""
6207  return _IMP_atom.AtomType_get_string(self)
6208 
6209  def __cmp__(self, *args):
6210  """__cmp__(AtomType self, AtomType o) -> int"""
6211  return _IMP_atom.AtomType___cmp__(self, *args)
6212 
6213  def __eq__(self, *args):
6214  """__eq__(AtomType self, AtomType o) -> bool"""
6215  return _IMP_atom.AtomType___eq__(self, *args)
6216 
6217  def __ne__(self, *args):
6218  """__ne__(AtomType self, AtomType o) -> bool"""
6219  return _IMP_atom.AtomType___ne__(self, *args)
6220 
6221  def __lt__(self, *args):
6222  """__lt__(AtomType self, AtomType o) -> bool"""
6223  return _IMP_atom.AtomType___lt__(self, *args)
6224 
6225  def __gt__(self, *args):
6226  """__gt__(AtomType self, AtomType o) -> bool"""
6227  return _IMP_atom.AtomType___gt__(self, *args)
6228 
6229  def __ge__(self, *args):
6230  """__ge__(AtomType self, AtomType o) -> bool"""
6231  return _IMP_atom.AtomType___ge__(self, *args)
6232 
6233  def __le__(self, *args):
6234  """__le__(AtomType self, AtomType o) -> bool"""
6235  return _IMP_atom.AtomType___le__(self, *args)
6236 
6237  def __hash__(self):
6238  """__hash__(AtomType self) -> std::size_t"""
6239  return _IMP_atom.AtomType___hash__(self)
6240 
6241  def show(self, *args):
6242  """
6243  show(AtomType self, _ostream out=std::cout)
6244  show(AtomType self)
6245  """
6246  return _IMP_atom.AtomType_show(self, *args)
6247 
6248  def add_alias(*args):
6249  """add_alias(AtomType old_key, std::string new_name) -> AtomType"""
6250  return _IMP_atom.AtomType_add_alias(*args)
6251 
6252  add_alias = staticmethod(add_alias)
6253  def get_index(self):
6254  """get_index(AtomType self) -> unsigned int"""
6255  return _IMP_atom.AtomType_get_index(self)
6256 
6257  def show_all(*args):
6258  """show_all(_ostream out)"""
6259  return _IMP_atom.AtomType_show_all(*args)
6260 
6261  show_all = staticmethod(show_all)
6262  def get_all_strings():
6263  """get_all_strings() -> IMP::base::Vector< std::string >"""
6264  return _IMP_atom.AtomType_get_all_strings()
6265 
6266  get_all_strings = staticmethod(get_all_strings)
6267  def get_number_unique():
6268  """get_number_unique() -> unsigned int"""
6269  return _IMP_atom.AtomType_get_number_unique()
6270 
6271  get_number_unique = staticmethod(get_number_unique)
6272  def __str__(self):
6273  """__str__(AtomType self) -> std::string"""
6274  return _IMP_atom.AtomType___str__(self)
6275 
6276  def __repr__(self):
6277  """__repr__(AtomType self) -> std::string"""
6278  return _IMP_atom.AtomType___repr__(self)
6279 
6280  __swig_destroy__ = _IMP_atom.delete_AtomType
6281  __del__ = lambda self : None;
6282 AtomType_swigregister = _IMP_atom.AtomType_swigregister
6283 AtomType_swigregister(AtomType)
6284 
6285 def AtomType_add_key(*args):
6286  """AtomType_add_key(std::string sc) -> unsigned int"""
6287  return _IMP_atom.AtomType_add_key(*args)
6288 
6289 def AtomType_get_key_exists(*args):
6290  """AtomType_get_key_exists(std::string sc) -> bool"""
6291  return _IMP_atom.AtomType_get_key_exists(*args)
6292 
6293 def AtomType_add_alias(*args):
6294  """AtomType_add_alias(AtomType old_key, std::string new_name) -> AtomType"""
6295  return _IMP_atom.AtomType_add_alias(*args)
6296 
6297 def AtomType_show_all(*args):
6298  """AtomType_show_all(_ostream out)"""
6299  return _IMP_atom.AtomType_show_all(*args)
6300 
6301 def AtomType_get_all_strings():
6302  """AtomType_get_all_strings() -> IMP::base::Vector< std::string >"""
6303  return _IMP_atom.AtomType_get_all_strings()
6304 
6305 def AtomType_get_number_unique():
6306  """AtomType_get_number_unique() -> unsigned int"""
6307  return _IMP_atom.AtomType_get_number_unique()
6308 
6309 class ResidueType(IMP.base._Value):
6310  """Proxy of C++ IMP::Key<(90784334,true)> class"""
6311  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6312  def __init__(self, *args):
6313  """
6314  __init__(IMP::Key<(90784334,true)> self) -> ResidueType
6315  __init__(IMP::Key<(90784334,true)> self, std::string c) -> ResidueType
6316  __init__(IMP::Key<(90784334,true)> self, unsigned int i) -> ResidueType
6317  """
6318  this = _IMP_atom.new_ResidueType(*args)
6319  try: self.this.append(this)
6320  except: self.this = this
6321  def add_key(*args):
6322  """add_key(std::string sc) -> unsigned int"""
6323  return _IMP_atom.ResidueType_add_key(*args)
6324 
6325  add_key = staticmethod(add_key)
6326  def get_key_exists(*args):
6327  """get_key_exists(std::string sc) -> bool"""
6328  return _IMP_atom.ResidueType_get_key_exists(*args)
6329 
6330  get_key_exists = staticmethod(get_key_exists)
6331  def get_string(self):
6332  """get_string(ResidueType self) -> std::string const"""
6333  return _IMP_atom.ResidueType_get_string(self)
6334 
6335  def __cmp__(self, *args):
6336  """__cmp__(ResidueType self, ResidueType o) -> int"""
6337  return _IMP_atom.ResidueType___cmp__(self, *args)
6338 
6339  def __eq__(self, *args):
6340  """__eq__(ResidueType self, ResidueType o) -> bool"""
6341  return _IMP_atom.ResidueType___eq__(self, *args)
6342 
6343  def __ne__(self, *args):
6344  """__ne__(ResidueType self, ResidueType o) -> bool"""
6345  return _IMP_atom.ResidueType___ne__(self, *args)
6346 
6347  def __lt__(self, *args):
6348  """__lt__(ResidueType self, ResidueType o) -> bool"""
6349  return _IMP_atom.ResidueType___lt__(self, *args)
6350 
6351  def __gt__(self, *args):
6352  """__gt__(ResidueType self, ResidueType o) -> bool"""
6353  return _IMP_atom.ResidueType___gt__(self, *args)
6354 
6355  def __ge__(self, *args):
6356  """__ge__(ResidueType self, ResidueType o) -> bool"""
6357  return _IMP_atom.ResidueType___ge__(self, *args)
6358 
6359  def __le__(self, *args):
6360  """__le__(ResidueType self, ResidueType o) -> bool"""
6361  return _IMP_atom.ResidueType___le__(self, *args)
6362 
6363  def __hash__(self):
6364  """__hash__(ResidueType self) -> std::size_t"""
6365  return _IMP_atom.ResidueType___hash__(self)
6366 
6367  def show(self, *args):
6368  """
6369  show(ResidueType self, _ostream out=std::cout)
6370  show(ResidueType self)
6371  """
6372  return _IMP_atom.ResidueType_show(self, *args)
6373 
6374  def add_alias(*args):
6375  """add_alias(ResidueType old_key, std::string new_name) -> ResidueType"""
6376  return _IMP_atom.ResidueType_add_alias(*args)
6377 
6378  add_alias = staticmethod(add_alias)
6379  def get_index(self):
6380  """get_index(ResidueType self) -> unsigned int"""
6381  return _IMP_atom.ResidueType_get_index(self)
6382 
6383  def show_all(*args):
6384  """show_all(_ostream out)"""
6385  return _IMP_atom.ResidueType_show_all(*args)
6386 
6387  show_all = staticmethod(show_all)
6388  def get_all_strings():
6389  """get_all_strings() -> IMP::base::Vector< std::string >"""
6390  return _IMP_atom.ResidueType_get_all_strings()
6391 
6392  get_all_strings = staticmethod(get_all_strings)
6393  def get_number_unique():
6394  """get_number_unique() -> unsigned int"""
6395  return _IMP_atom.ResidueType_get_number_unique()
6396 
6397  get_number_unique = staticmethod(get_number_unique)
6398  def __str__(self):
6399  """__str__(ResidueType self) -> std::string"""
6400  return _IMP_atom.ResidueType___str__(self)
6401 
6402  def __repr__(self):
6403  """__repr__(ResidueType self) -> std::string"""
6404  return _IMP_atom.ResidueType___repr__(self)
6405 
6406  __swig_destroy__ = _IMP_atom.delete_ResidueType
6407  __del__ = lambda self : None;
6408 ResidueType_swigregister = _IMP_atom.ResidueType_swigregister
6409 ResidueType_swigregister(ResidueType)
6410 
6411 def ResidueType_add_key(*args):
6412  """ResidueType_add_key(std::string sc) -> unsigned int"""
6413  return _IMP_atom.ResidueType_add_key(*args)
6414 
6415 def ResidueType_get_key_exists(*args):
6416  """ResidueType_get_key_exists(std::string sc) -> bool"""
6417  return _IMP_atom.ResidueType_get_key_exists(*args)
6418 
6419 def ResidueType_add_alias(*args):
6420  """ResidueType_add_alias(ResidueType old_key, std::string new_name) -> ResidueType"""
6421  return _IMP_atom.ResidueType_add_alias(*args)
6422 
6423 def ResidueType_show_all(*args):
6424  """ResidueType_show_all(_ostream out)"""
6425  return _IMP_atom.ResidueType_show_all(*args)
6426 
6427 def ResidueType_get_all_strings():
6428  """ResidueType_get_all_strings() -> IMP::base::Vector< std::string >"""
6429  return _IMP_atom.ResidueType_get_all_strings()
6430 
6431 def ResidueType_get_number_unique():
6432  """ResidueType_get_number_unique() -> unsigned int"""
6433  return _IMP_atom.ResidueType_get_number_unique()
6434 
6435 UNKNOWN_ELEMENT = _IMP_atom.UNKNOWN_ELEMENT
6436 OH = _IMP_atom.OH
6437 H2O = _IMP_atom.H2O
6438 H = _IMP_atom.H
6439 He = _IMP_atom.He
6440 Li = _IMP_atom.Li
6441 Be = _IMP_atom.Be
6442 B = _IMP_atom.B
6443 C = _IMP_atom.C
6444 N = _IMP_atom.N
6445 O = _IMP_atom.O
6446 F = _IMP_atom.F
6447 Ne = _IMP_atom.Ne
6448 Na = _IMP_atom.Na
6449 Mg = _IMP_atom.Mg
6450 Al = _IMP_atom.Al
6451 Si = _IMP_atom.Si
6452 P = _IMP_atom.P
6453 S = _IMP_atom.S
6454 Cl = _IMP_atom.Cl
6455 Ar = _IMP_atom.Ar
6456 K = _IMP_atom.K
6457 Ca = _IMP_atom.Ca
6458 Sc = _IMP_atom.Sc
6459 Ti = _IMP_atom.Ti
6460 V = _IMP_atom.V
6461 Cr = _IMP_atom.Cr
6462 Mn = _IMP_atom.Mn
6463 Fe = _IMP_atom.Fe
6464 Co = _IMP_atom.Co
6465 Ni = _IMP_atom.Ni
6466 Cu = _IMP_atom.Cu
6467 Zn = _IMP_atom.Zn
6468 Ga = _IMP_atom.Ga
6469 Ge = _IMP_atom.Ge
6470 As = _IMP_atom.As
6471 Se = _IMP_atom.Se
6472 Br = _IMP_atom.Br
6473 Kr = _IMP_atom.Kr
6474 Rb = _IMP_atom.Rb
6475 Sr = _IMP_atom.Sr
6476 Y = _IMP_atom.Y
6477 Zr = _IMP_atom.Zr
6478 Nb = _IMP_atom.Nb
6479 Mo = _IMP_atom.Mo
6480 Tc = _IMP_atom.Tc
6481 Ru = _IMP_atom.Ru
6482 Rh = _IMP_atom.Rh
6483 Pd = _IMP_atom.Pd
6484 Ag = _IMP_atom.Ag
6485 Cd = _IMP_atom.Cd
6486 In = _IMP_atom.In
6487 Sn = _IMP_atom.Sn
6488 Sb = _IMP_atom.Sb
6489 Te = _IMP_atom.Te
6490 I = _IMP_atom.I
6491 Xe = _IMP_atom.Xe
6492 Cs = _IMP_atom.Cs
6493 Ba = _IMP_atom.Ba
6494 La = _IMP_atom.La
6495 Ce = _IMP_atom.Ce
6496 Pr = _IMP_atom.Pr
6497 Nd = _IMP_atom.Nd
6498 Pm = _IMP_atom.Pm
6499 Sm = _IMP_atom.Sm
6500 Eu = _IMP_atom.Eu
6501 Gd = _IMP_atom.Gd
6502 Tb = _IMP_atom.Tb
6503 Dy = _IMP_atom.Dy
6504 Ho = _IMP_atom.Ho
6505 Er = _IMP_atom.Er
6506 Tm = _IMP_atom.Tm
6507 Yb = _IMP_atom.Yb
6508 Lu = _IMP_atom.Lu
6509 Hf = _IMP_atom.Hf
6510 Ta = _IMP_atom.Ta
6511 W = _IMP_atom.W
6512 Re = _IMP_atom.Re
6513 Os = _IMP_atom.Os
6514 Ir = _IMP_atom.Ir
6515 Pt = _IMP_atom.Pt
6516 Au = _IMP_atom.Au
6517 Hg = _IMP_atom.Hg
6518 Tl = _IMP_atom.Tl
6519 Pb = _IMP_atom.Pb
6520 Bi = _IMP_atom.Bi
6521 Po = _IMP_atom.Po
6522 At = _IMP_atom.At
6523 Rn = _IMP_atom.Rn
6524 Fr = _IMP_atom.Fr
6525 Ra = _IMP_atom.Ra
6526 Ac = _IMP_atom.Ac
6527 Th = _IMP_atom.Th
6528 Pa = _IMP_atom.Pa
6529 U = _IMP_atom.U
6530 Np = _IMP_atom.Np
6531 Pu = _IMP_atom.Pu
6532 Am = _IMP_atom.Am
6533 Cm = _IMP_atom.Cm
6534 Bk = _IMP_atom.Bk
6535 Cf = _IMP_atom.Cf
6536 Es = _IMP_atom.Es
6537 Fm = _IMP_atom.Fm
6538 Md = _IMP_atom.Md
6539 No = _IMP_atom.No
6540 Lr = _IMP_atom.Lr
6541 Db = _IMP_atom.Db
6542 Jl = _IMP_atom.Jl
6543 Rf = _IMP_atom.Rf
6544 NUMBER_OF_ELEMENTS = _IMP_atom.NUMBER_OF_ELEMENTS
6545 
6546 def hash_value(*args):
6547  """hash_value(IMP::atom::Element e) -> size_t"""
6548  return _IMP_atom.hash_value(*args)
6549 class ElementTable(object):
6550  """Proxy of C++ IMP::atom::ElementTable class"""
6551  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6552  __repr__ = _swig_repr
6553  def __init__(self):
6554  """__init__(IMP::atom::ElementTable self) -> ElementTable"""
6555  this = _IMP_atom.new_ElementTable()
6556  try: self.this.append(this)
6557  except: self.this = this
6558  def get_element(self, *args):
6559  """get_element(ElementTable self, std::string const & s) -> IMP::atom::Element"""
6560  return _IMP_atom.ElementTable_get_element(self, *args)
6561 
6562  def get_name(self, *args):
6563  """get_name(ElementTable self, IMP::atom::Element e) -> std::string"""
6564  return _IMP_atom.ElementTable_get_name(self, *args)
6565 
6566  def get_mass(self, *args):
6567  """get_mass(ElementTable self, IMP::atom::Element e) -> IMP::Float"""
6568  return _IMP_atom.ElementTable_get_mass(self, *args)
6569 
6570  __swig_destroy__ = _IMP_atom.delete_ElementTable
6571  __del__ = lambda self : None;
6572 ElementTable_swigregister = _IMP_atom.ElementTable_swigregister
6573 ElementTable_swigregister(ElementTable)
6574 
6575 
6576 def get_element_table():
6577  """get_element_table() -> ElementTable"""
6578  return _IMP_atom.get_element_table()
6579 class Atom(Hierarchy):
6580  """Proxy of C++ IMP::atom::Atom class"""
6581  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6582  def __init__(self, *args):
6583  """
6584  __init__(IMP::atom::Atom self) -> Atom
6585  __init__(IMP::atom::Atom self, Model m, ::IMP::kernel::ParticleIndex id) -> Atom
6586  __init__(IMP::atom::Atom self, _ParticleAdaptor d) -> Atom
6587  """
6588  this = _IMP_atom.new_Atom(*args)
6589  try: self.this.append(this)
6590  except: self.this = this
6591  def show(self, *args):
6592  """
6593  show(Atom self, _ostream out=std::cout)
6594  show(Atom self)
6595  """
6596  return _IMP_atom.Atom_show(self, *args)
6597 
6598  def setup_particle(*args):
6599  """
6600  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Atom other) -> Atom
6601  setup_particle(_ParticleAdaptor decorator, Atom other) -> Atom
6602  setup_particle(Model m, IMP::kernel::ParticleIndex pi, AtomType atom_type) -> Atom
6603  setup_particle(_ParticleAdaptor decorator, AtomType atom_type) -> Atom
6604  """
6605  return _IMP_atom.Atom_setup_particle(*args)
6606 
6607  setup_particle = staticmethod(setup_particle)
6608  def get_is_setup(*args):
6609  """
6610  get_is_setup(_ParticleAdaptor p) -> bool
6611  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
6612  """
6613  return _IMP_atom.Atom_get_is_setup(*args)
6614 
6615  get_is_setup = staticmethod(get_is_setup)
6616  def get_atom_type(self):
6617  """get_atom_type(Atom self) -> AtomType"""
6618  return _IMP_atom.Atom_get_atom_type(self)
6619 
6620  def set_atom_type(self, *args):
6621  """set_atom_type(Atom self, AtomType t)"""
6622  return _IMP_atom.Atom_set_atom_type(self, *args)
6623 
6624  def get_element(self):
6625  """get_element(Atom self) -> IMP::atom::Element"""
6626  return _IMP_atom.Atom_get_element(self)
6627 
6628  def set_element(self, *args):
6629  """set_element(Atom self, IMP::atom::Element e)"""
6630  return _IMP_atom.Atom_set_element(self, *args)
6631 
6632  def get_occupancy(self):
6633  """get_occupancy(Atom self) -> double"""
6634  return _IMP_atom.Atom_get_occupancy(self)
6635 
6636  def set_occupancy(self, *args):
6637  """set_occupancy(Atom self, double occupancy)"""
6638  return _IMP_atom.Atom_set_occupancy(self, *args)
6639 
6640  def get_temperature_factor(self):
6641  """get_temperature_factor(Atom self) -> double"""
6642  return _IMP_atom.Atom_get_temperature_factor(self)
6643 
6644  def set_temperature_factor(self, *args):
6645  """set_temperature_factor(Atom self, double tempFactor)"""
6646  return _IMP_atom.Atom_set_temperature_factor(self, *args)
6647 
6648  def get_input_index(self):
6649  """get_input_index(Atom self) -> IMP::Int"""
6650  return _IMP_atom.Atom_get_input_index(self)
6651 
6652  def set_input_index(self, *args):
6653  """set_input_index(Atom self, IMP::Int t)"""
6654  return _IMP_atom.Atom_set_input_index(self, *args)
6655 
6656  def get_atom_type_key():
6657  """get_atom_type_key() -> IntKey"""
6658  return _IMP_atom.Atom_get_atom_type_key()
6659 
6660  get_atom_type_key = staticmethod(get_atom_type_key)
6661  def get_element_key():
6662  """get_element_key() -> IntKey"""
6663  return _IMP_atom.Atom_get_element_key()
6664 
6665  get_element_key = staticmethod(get_element_key)
6666  def get_input_index_key():
6667  """get_input_index_key() -> IntKey"""
6668  return _IMP_atom.Atom_get_input_index_key()
6669 
6670  get_input_index_key = staticmethod(get_input_index_key)
6671  def get_occupancy_key():
6672  """get_occupancy_key() -> FloatKey"""
6673  return _IMP_atom.Atom_get_occupancy_key()
6674 
6675  get_occupancy_key = staticmethod(get_occupancy_key)
6676  def get_temperature_factor_key():
6677  """get_temperature_factor_key() -> FloatKey"""
6678  return _IMP_atom.Atom_get_temperature_factor_key()
6679 
6680  get_temperature_factor_key = staticmethod(get_temperature_factor_key)
6681  def add_attribute(self, *args):
6682  """
6683  add_attribute(Atom self, FloatKey k, IMP::Float v, bool opt)
6684  add_attribute(Atom self, FloatKey a0, IMP::Float a1)
6685  add_attribute(Atom self, IntKey a0, IMP::Int a1)
6686  add_attribute(Atom self, StringKey a0, IMP::String a1)
6687  add_attribute(Atom self, ParticleIndexKey a0, Particle a1)
6688  add_attribute(Atom self, ObjectKey a0, Object a1)
6689  """
6690  return _IMP_atom.Atom_add_attribute(self, *args)
6691 
6692  def get_value(self, *args):
6693  """
6694  get_value(Atom self, FloatKey a0) -> IMP::Float
6695  get_value(Atom self, IntKey a0) -> IMP::Int
6696  get_value(Atom self, StringKey a0) -> IMP::String
6697  get_value(Atom self, ParticleIndexKey a0) -> Particle
6698  get_value(Atom self, ObjectKey a0) -> Object
6699  """
6700  return _IMP_atom.Atom_get_value(self, *args)
6701 
6702  def set_value(self, *args):
6703  """
6704  set_value(Atom self, FloatKey a0, IMP::Float a1)
6705  set_value(Atom self, IntKey a0, IMP::Int a1)
6706  set_value(Atom self, StringKey a0, IMP::String a1)
6707  set_value(Atom self, ParticleIndexKey a0, Particle a1)
6708  set_value(Atom self, ObjectKey a0, Object a1)
6709  """
6710  return _IMP_atom.Atom_set_value(self, *args)
6711 
6712  def remove_attribute(self, *args):
6713  """
6714  remove_attribute(Atom self, FloatKey a0)
6715  remove_attribute(Atom self, IntKey a0)
6716  remove_attribute(Atom self, StringKey a0)
6717  remove_attribute(Atom self, ParticleIndexKey a0)
6718  remove_attribute(Atom self, ObjectKey a0)
6719  """
6720  return _IMP_atom.Atom_remove_attribute(self, *args)
6721 
6722  def has_attribute(self, *args):
6723  """
6724  has_attribute(Atom self, FloatKey a0) -> bool
6725  has_attribute(Atom self, IntKey a0) -> bool
6726  has_attribute(Atom self, StringKey a0) -> bool
6727  has_attribute(Atom self, ParticleIndexKey a0) -> bool
6728  has_attribute(Atom self, ObjectKey a0) -> bool
6729  """
6730  return _IMP_atom.Atom_has_attribute(self, *args)
6731 
6732  def get_derivative(self, *args):
6733  """get_derivative(Atom self, FloatKey a0) -> double"""
6734  return _IMP_atom.Atom_get_derivative(self, *args)
6735 
6736  def get_name(self):
6737  """get_name(Atom self) -> std::string"""
6738  return _IMP_atom.Atom_get_name(self)
6739 
6740  def clear_caches(self):
6741  """clear_caches(Atom self)"""
6742  return _IMP_atom.Atom_clear_caches(self)
6743 
6744  def set_name(self, *args):
6745  """set_name(Atom self, std::string a0)"""
6746  return _IMP_atom.Atom_set_name(self, *args)
6747 
6748  def set_check_level(self, *args):
6749  """set_check_level(Atom self, IMP::base::CheckLevel a0)"""
6750  return _IMP_atom.Atom_set_check_level(self, *args)
6751 
6752  def add_to_derivative(self, *args):
6753  """add_to_derivative(Atom self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
6754  return _IMP_atom.Atom_add_to_derivative(self, *args)
6755 
6756  def set_is_optimized(self, *args):
6757  """set_is_optimized(Atom self, FloatKey a0, bool a1)"""
6758  return _IMP_atom.Atom_set_is_optimized(self, *args)
6759 
6760  def get_is_optimized(self, *args):
6761  """get_is_optimized(Atom self, FloatKey a0) -> bool"""
6762  return _IMP_atom.Atom_get_is_optimized(self, *args)
6763 
6764  def get_check_level(self):
6765  """get_check_level(Atom self) -> IMP::base::CheckLevel"""
6766  return _IMP_atom.Atom_get_check_level(self)
6767 
6768  def __eq__(self, *args):
6769  """
6770  __eq__(Atom self, Atom o) -> bool
6771  __eq__(Atom self, Particle d) -> bool
6772  """
6773  return _IMP_atom.Atom___eq__(self, *args)
6774 
6775  def __ne__(self, *args):
6776  """
6777  __ne__(Atom self, Atom o) -> bool
6778  __ne__(Atom self, Particle d) -> bool
6779  """
6780  return _IMP_atom.Atom___ne__(self, *args)
6781 
6782  def __le__(self, *args):
6783  """
6784  __le__(Atom self, Atom o) -> bool
6785  __le__(Atom self, Particle d) -> bool
6786  """
6787  return _IMP_atom.Atom___le__(self, *args)
6788 
6789  def __lt__(self, *args):
6790  """
6791  __lt__(Atom self, Atom o) -> bool
6792  __lt__(Atom self, Particle d) -> bool
6793  """
6794  return _IMP_atom.Atom___lt__(self, *args)
6795 
6796  def __ge__(self, *args):
6797  """
6798  __ge__(Atom self, Atom o) -> bool
6799  __ge__(Atom self, Particle d) -> bool
6800  """
6801  return _IMP_atom.Atom___ge__(self, *args)
6802 
6803  def __gt__(self, *args):
6804  """
6805  __gt__(Atom self, Atom o) -> bool
6806  __gt__(Atom self, Particle d) -> bool
6807  """
6808  return _IMP_atom.Atom___gt__(self, *args)
6809 
6810  def __hash__(self):
6811  """__hash__(Atom self) -> std::size_t"""
6812  return _IMP_atom.Atom___hash__(self)
6813 
6814  def __str__(self):
6815  """__str__(Atom self) -> std::string"""
6816  return _IMP_atom.Atom___str__(self)
6817 
6818  def __repr__(self):
6819  """__repr__(Atom self) -> std::string"""
6820  return _IMP_atom.Atom___repr__(self)
6821 
6822  __swig_destroy__ = _IMP_atom.delete_Atom
6823  __del__ = lambda self : None;
6824 Atom_swigregister = _IMP_atom.Atom_swigregister
6825 Atom_swigregister(Atom)
6826 cvar = _IMP_atom.cvar
6827 AT_UNKNOWN = cvar.AT_UNKNOWN
6828 AT_N = cvar.AT_N
6829 AT_CA = cvar.AT_CA
6830 AT_C = cvar.AT_C
6831 AT_O = cvar.AT_O
6832 AT_H = cvar.AT_H
6833 AT_H1 = cvar.AT_H1
6834 AT_H2 = cvar.AT_H2
6835 AT_H3 = cvar.AT_H3
6836 AT_HA = cvar.AT_HA
6837 AT_HA1 = cvar.AT_HA1
6838 AT_HA2 = cvar.AT_HA2
6839 AT_HA3 = cvar.AT_HA3
6840 AT_CB = cvar.AT_CB
6841 AT_HB = cvar.AT_HB
6842 AT_HB1 = cvar.AT_HB1
6843 AT_HB2 = cvar.AT_HB2
6844 AT_HB3 = cvar.AT_HB3
6845 AT_OXT = cvar.AT_OXT
6846 AT_CH3 = cvar.AT_CH3
6847 AT_CH = cvar.AT_CH
6848 AT_CG = cvar.AT_CG
6849 AT_CG1 = cvar.AT_CG1
6850 AT_CG2 = cvar.AT_CG2
6851 AT_HG = cvar.AT_HG
6852 AT_HG1 = cvar.AT_HG1
6853 AT_HG2 = cvar.AT_HG2
6854 AT_HG3 = cvar.AT_HG3
6855 AT_HG11 = cvar.AT_HG11
6856 AT_HG21 = cvar.AT_HG21
6857 AT_HG31 = cvar.AT_HG31
6858 AT_HG12 = cvar.AT_HG12
6859 AT_HG13 = cvar.AT_HG13
6860 AT_HG22 = cvar.AT_HG22
6861 AT_HG23 = cvar.AT_HG23
6862 AT_HG32 = cvar.AT_HG32
6863 AT_OG = cvar.AT_OG
6864 AT_OG1 = cvar.AT_OG1
6865 AT_SG = cvar.AT_SG
6866 AT_CD = cvar.AT_CD
6867 AT_CD1 = cvar.AT_CD1
6868 AT_CD2 = cvar.AT_CD2
6869 AT_HD = cvar.AT_HD
6870 AT_HD1 = cvar.AT_HD1
6871 AT_HD2 = cvar.AT_HD2
6872 AT_HD3 = cvar.AT_HD3
6873 AT_HD11 = cvar.AT_HD11
6874 AT_HD21 = cvar.AT_HD21
6875 AT_HD31 = cvar.AT_HD31
6876 AT_HD12 = cvar.AT_HD12
6877 AT_HD13 = cvar.AT_HD13
6878 AT_HD22 = cvar.AT_HD22
6879 AT_HD23 = cvar.AT_HD23
6880 AT_HD32 = cvar.AT_HD32
6881 AT_SD = cvar.AT_SD
6882 AT_OD1 = cvar.AT_OD1
6883 AT_OD2 = cvar.AT_OD2
6884 AT_ND1 = cvar.AT_ND1
6885 AT_ND2 = cvar.AT_ND2
6886 AT_CE = cvar.AT_CE
6887 AT_CE1 = cvar.AT_CE1
6888 AT_CE2 = cvar.AT_CE2
6889 AT_CE3 = cvar.AT_CE3
6890 AT_HE = cvar.AT_HE
6891 AT_HE1 = cvar.AT_HE1
6892 AT_HE2 = cvar.AT_HE2
6893 AT_HE3 = cvar.AT_HE3
6894 AT_HE21 = cvar.AT_HE21
6895 AT_HE22 = cvar.AT_HE22
6896 AT_OE1 = cvar.AT_OE1
6897 AT_OE2 = cvar.AT_OE2
6898 AT_NE = cvar.AT_NE
6899 AT_NE1 = cvar.AT_NE1
6900 AT_NE2 = cvar.AT_NE2
6901 AT_CZ = cvar.AT_CZ
6902 AT_CZ2 = cvar.AT_CZ2
6903 AT_CZ3 = cvar.AT_CZ3
6904 AT_NZ = cvar.AT_NZ
6905 AT_HZ = cvar.AT_HZ
6906 AT_HZ1 = cvar.AT_HZ1
6907 AT_HZ2 = cvar.AT_HZ2
6908 AT_HZ3 = cvar.AT_HZ3
6909 AT_CH2 = cvar.AT_CH2
6910 AT_NH1 = cvar.AT_NH1
6911 AT_NH2 = cvar.AT_NH2
6912 AT_OH = cvar.AT_OH
6913 AT_HH = cvar.AT_HH
6914 AT_HH11 = cvar.AT_HH11
6915 AT_HH21 = cvar.AT_HH21
6916 AT_HH2 = cvar.AT_HH2
6917 AT_HH12 = cvar.AT_HH12
6918 AT_HH22 = cvar.AT_HH22
6919 AT_HH13 = cvar.AT_HH13
6920 AT_HH23 = cvar.AT_HH23
6921 AT_HH33 = cvar.AT_HH33
6922 AT_P = cvar.AT_P
6923 AT_OP1 = cvar.AT_OP1
6924 AT_OP2 = cvar.AT_OP2
6925 AT_OP3 = cvar.AT_OP3
6926 AT_O5p = cvar.AT_O5p
6927 AT_C5p = cvar.AT_C5p
6928 AT_H5p = cvar.AT_H5p
6929 AT_H5pp = cvar.AT_H5pp
6930 AT_C4p = cvar.AT_C4p
6931 AT_H4p = cvar.AT_H4p
6932 AT_O4p = cvar.AT_O4p
6933 AT_C1p = cvar.AT_C1p
6934 AT_H1p = cvar.AT_H1p
6935 AT_C3p = cvar.AT_C3p
6936 AT_H3p = cvar.AT_H3p
6937 AT_O3p = cvar.AT_O3p
6938 AT_C2p = cvar.AT_C2p
6939 AT_H2p = cvar.AT_H2p
6940 AT_H2pp = cvar.AT_H2pp
6941 AT_O2p = cvar.AT_O2p
6942 AT_HO2p = cvar.AT_HO2p
6943 AT_N9 = cvar.AT_N9
6944 AT_C8 = cvar.AT_C8
6945 AT_H8 = cvar.AT_H8
6946 AT_N7 = cvar.AT_N7
6947 AT_C5 = cvar.AT_C5
6948 AT_C4 = cvar.AT_C4
6949 AT_N3 = cvar.AT_N3
6950 AT_C2 = cvar.AT_C2
6951 AT_N1 = cvar.AT_N1
6952 AT_C6 = cvar.AT_C6
6953 AT_N6 = cvar.AT_N6
6954 AT_H61 = cvar.AT_H61
6955 AT_H62 = cvar.AT_H62
6956 AT_O6 = cvar.AT_O6
6957 AT_N2 = cvar.AT_N2
6958 AT_NT = cvar.AT_NT
6959 AT_H21 = cvar.AT_H21
6960 AT_H22 = cvar.AT_H22
6961 AT_H6 = cvar.AT_H6
6962 AT_H5 = cvar.AT_H5
6963 AT_O2 = cvar.AT_O2
6964 AT_N4 = cvar.AT_N4
6965 AT_H41 = cvar.AT_H41
6966 AT_H42 = cvar.AT_H42
6967 AT_O4 = cvar.AT_O4
6968 AT_C7 = cvar.AT_C7
6969 AT_H71 = cvar.AT_H71
6970 AT_H72 = cvar.AT_H72
6971 AT_H73 = cvar.AT_H73
6972 AT_O1A = cvar.AT_O1A
6973 AT_O2A = cvar.AT_O2A
6974 AT_O3A = cvar.AT_O3A
6975 AT_O1B = cvar.AT_O1B
6976 AT_O2B = cvar.AT_O2B
6977 AT_O3B = cvar.AT_O3B
6978 
6979 def Atom_setup_particle(*args):
6980  """
6981  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Atom other) -> Atom
6982  setup_particle(_ParticleAdaptor decorator, Atom other) -> Atom
6983  setup_particle(Model m, IMP::kernel::ParticleIndex pi, AtomType atom_type) -> Atom
6984  Atom_setup_particle(_ParticleAdaptor decorator, AtomType atom_type) -> Atom
6985  """
6986  return _IMP_atom.Atom_setup_particle(*args)
6987 
6988 def Atom_get_is_setup(*args):
6989  """
6990  get_is_setup(_ParticleAdaptor p) -> bool
6991  Atom_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
6992  """
6993  return _IMP_atom.Atom_get_is_setup(*args)
6994 
6995 def Atom_get_atom_type_key():
6996  """Atom_get_atom_type_key() -> IntKey"""
6997  return _IMP_atom.Atom_get_atom_type_key()
6998 
6999 def Atom_get_element_key():
7000  """Atom_get_element_key() -> IntKey"""
7001  return _IMP_atom.Atom_get_element_key()
7002 
7003 def Atom_get_input_index_key():
7004  """Atom_get_input_index_key() -> IntKey"""
7005  return _IMP_atom.Atom_get_input_index_key()
7006 
7007 def Atom_get_occupancy_key():
7008  """Atom_get_occupancy_key() -> FloatKey"""
7009  return _IMP_atom.Atom_get_occupancy_key()
7010 
7011 def Atom_get_temperature_factor_key():
7012  """Atom_get_temperature_factor_key() -> FloatKey"""
7013  return _IMP_atom.Atom_get_temperature_factor_key()
7014 
7015 
7016 def get_residue(*args):
7017  """
7018  get_residue(Hierarchy mhd, unsigned int index) -> Hierarchy
7019  get_residue(Atom d, bool nothrow=False) -> Residue
7020  get_residue(Atom d) -> Residue
7021  """
7022  return _IMP_atom.get_residue(*args)
7023 
7024 def get_atom(*args):
7025  """get_atom(Residue rd, AtomType at) -> Atom"""
7026  return _IMP_atom.get_atom(*args)
7027 
7028 def add_atom_type(*args):
7029  """add_atom_type(std::string name, IMP::atom::Element e) -> AtomType"""
7030  return _IMP_atom.add_atom_type(*args)
7031 
7032 def get_element_for_atom_type(*args):
7033  """get_element_for_atom_type(AtomType at) -> IMP::atom::Element"""
7034  return _IMP_atom.get_element_for_atom_type(*args)
7035 
7036 def get_atom_type_exists(*args):
7037  """get_atom_type_exists(std::string name) -> bool"""
7038  return _IMP_atom.get_atom_type_exists(*args)
7039 class Residue(Hierarchy):
7040  """Proxy of C++ IMP::atom::Residue class"""
7041  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7042  def __init__(self, *args):
7043  """
7044  __init__(IMP::atom::Residue self) -> Residue
7045  __init__(IMP::atom::Residue self, Model m, ::IMP::kernel::ParticleIndex id) -> Residue
7046  __init__(IMP::atom::Residue self, _ParticleAdaptor d) -> Residue
7047  """
7048  this = _IMP_atom.new_Residue(*args)
7049  try: self.this.append(this)
7050  except: self.this = this
7051  def show(self, *args):
7052  """
7053  show(Residue self, _ostream out=std::cout)
7054  show(Residue self)
7055  """
7056  return _IMP_atom.Residue_show(self, *args)
7057 
7058  def setup_particle(*args):
7059  """
7060  setup_particle(Model m, IMP::kernel::ParticleIndex pi, ResidueType t, int index, int insertion_code) -> Residue
7061  setup_particle(_ParticleAdaptor decorator, ResidueType t, int index, int insertion_code) -> Residue
7062  setup_particle(Model m, IMP::kernel::ParticleIndex pi, ResidueType t, int index) -> Residue
7063  setup_particle(_ParticleAdaptor decorator, ResidueType t, int index) -> Residue
7064  setup_particle(Model m, IMP::kernel::ParticleIndex pi, ResidueType t) -> Residue
7065  setup_particle(_ParticleAdaptor decorator, ResidueType t) -> Residue
7066  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Residue other) -> Residue
7067  setup_particle(_ParticleAdaptor decorator, Residue other) -> Residue
7068  """
7069  return _IMP_atom.Residue_setup_particle(*args)
7070 
7071  setup_particle = staticmethod(setup_particle)
7072  def get_is_setup(*args):
7073  """
7074  get_is_setup(_ParticleAdaptor p) -> bool
7075  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
7076  """
7077  return _IMP_atom.Residue_get_is_setup(*args)
7078 
7079  get_is_setup = staticmethod(get_is_setup)
7080  def get_residue_type(self):
7081  """get_residue_type(Residue self) -> ResidueType"""
7082  return _IMP_atom.Residue_get_residue_type(self)
7083 
7084  def set_residue_type(self, *args):
7085  """set_residue_type(Residue self, ResidueType t)"""
7086  return _IMP_atom.Residue_set_residue_type(self, *args)
7087 
7088  def get_is_protein(self):
7089  """get_is_protein(Residue self) -> bool"""
7090  return _IMP_atom.Residue_get_is_protein(self)
7091 
7092  def get_is_dna(self):
7093  """get_is_dna(Residue self) -> bool"""
7094  return _IMP_atom.Residue_get_is_dna(self)
7095 
7096  def get_is_rna(self):
7097  """get_is_rna(Residue self) -> bool"""
7098  return _IMP_atom.Residue_get_is_rna(self)
7099 
7100  def get_index(self):
7101  """get_index(Residue self) -> IMP::Int"""
7102  return _IMP_atom.Residue_get_index(self)
7103 
7104  def set_index(self, *args):
7105  """set_index(Residue self, IMP::Int t)"""
7106  return _IMP_atom.Residue_set_index(self, *args)
7107 
7108  def get_insertion_code(self):
7109  """get_insertion_code(Residue self) -> char"""
7110  return _IMP_atom.Residue_get_insertion_code(self)
7111 
7112  def set_insertion_code(self, *args):
7113  """set_insertion_code(Residue self, char insertion_code)"""
7114  return _IMP_atom.Residue_set_insertion_code(self, *args)
7115 
7116  def get_index_key():
7117  """get_index_key() -> IntKey"""
7118  return _IMP_atom.Residue_get_index_key()
7119 
7120  get_index_key = staticmethod(get_index_key)
7121  def get_residue_type_key():
7122  """get_residue_type_key() -> IntKey"""
7123  return _IMP_atom.Residue_get_residue_type_key()
7124 
7125  get_residue_type_key = staticmethod(get_residue_type_key)
7126  def get_insertion_code_key():
7127  """get_insertion_code_key() -> IntKey"""
7128  return _IMP_atom.Residue_get_insertion_code_key()
7129 
7130  get_insertion_code_key = staticmethod(get_insertion_code_key)
7131  def add_attribute(self, *args):
7132  """
7133  add_attribute(Residue self, FloatKey k, IMP::Float v, bool opt)
7134  add_attribute(Residue self, FloatKey a0, IMP::Float a1)
7135  add_attribute(Residue self, IntKey a0, IMP::Int a1)
7136  add_attribute(Residue self, StringKey a0, IMP::String a1)
7137  add_attribute(Residue self, ParticleIndexKey a0, Particle a1)
7138  add_attribute(Residue self, ObjectKey a0, Object a1)
7139  """
7140  return _IMP_atom.Residue_add_attribute(self, *args)
7141 
7142  def get_value(self, *args):
7143  """
7144  get_value(Residue self, FloatKey a0) -> IMP::Float
7145  get_value(Residue self, IntKey a0) -> IMP::Int
7146  get_value(Residue self, StringKey a0) -> IMP::String
7147  get_value(Residue self, ParticleIndexKey a0) -> Particle
7148  get_value(Residue self, ObjectKey a0) -> Object
7149  """
7150  return _IMP_atom.Residue_get_value(self, *args)
7151 
7152  def set_value(self, *args):
7153  """
7154  set_value(Residue self, FloatKey a0, IMP::Float a1)
7155  set_value(Residue self, IntKey a0, IMP::Int a1)
7156  set_value(Residue self, StringKey a0, IMP::String a1)
7157  set_value(Residue self, ParticleIndexKey a0, Particle a1)
7158  set_value(Residue self, ObjectKey a0, Object a1)
7159  """
7160  return _IMP_atom.Residue_set_value(self, *args)
7161 
7162  def remove_attribute(self, *args):
7163  """
7164  remove_attribute(Residue self, FloatKey a0)
7165  remove_attribute(Residue self, IntKey a0)
7166  remove_attribute(Residue self, StringKey a0)
7167  remove_attribute(Residue self, ParticleIndexKey a0)
7168  remove_attribute(Residue self, ObjectKey a0)
7169  """
7170  return _IMP_atom.Residue_remove_attribute(self, *args)
7171 
7172  def has_attribute(self, *args):
7173  """
7174  has_attribute(Residue self, FloatKey a0) -> bool
7175  has_attribute(Residue self, IntKey a0) -> bool
7176  has_attribute(Residue self, StringKey a0) -> bool
7177  has_attribute(Residue self, ParticleIndexKey a0) -> bool
7178  has_attribute(Residue self, ObjectKey a0) -> bool
7179  """
7180  return _IMP_atom.Residue_has_attribute(self, *args)
7181 
7182  def get_derivative(self, *args):
7183  """get_derivative(Residue self, FloatKey a0) -> double"""
7184  return _IMP_atom.Residue_get_derivative(self, *args)
7185 
7186  def get_name(self):
7187  """get_name(Residue self) -> std::string"""
7188  return _IMP_atom.Residue_get_name(self)
7189 
7190  def clear_caches(self):
7191  """clear_caches(Residue self)"""
7192  return _IMP_atom.Residue_clear_caches(self)
7193 
7194  def set_name(self, *args):
7195  """set_name(Residue self, std::string a0)"""
7196  return _IMP_atom.Residue_set_name(self, *args)
7197 
7198  def set_check_level(self, *args):
7199  """set_check_level(Residue self, IMP::base::CheckLevel a0)"""
7200  return _IMP_atom.Residue_set_check_level(self, *args)
7201 
7202  def add_to_derivative(self, *args):
7203  """add_to_derivative(Residue self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7204  return _IMP_atom.Residue_add_to_derivative(self, *args)
7205 
7206  def set_is_optimized(self, *args):
7207  """set_is_optimized(Residue self, FloatKey a0, bool a1)"""
7208  return _IMP_atom.Residue_set_is_optimized(self, *args)
7209 
7210  def get_is_optimized(self, *args):
7211  """get_is_optimized(Residue self, FloatKey a0) -> bool"""
7212  return _IMP_atom.Residue_get_is_optimized(self, *args)
7213 
7214  def get_check_level(self):
7215  """get_check_level(Residue self) -> IMP::base::CheckLevel"""
7216  return _IMP_atom.Residue_get_check_level(self)
7217 
7218  def __eq__(self, *args):
7219  """
7220  __eq__(Residue self, Residue o) -> bool
7221  __eq__(Residue self, Particle d) -> bool
7222  """
7223  return _IMP_atom.Residue___eq__(self, *args)
7224 
7225  def __ne__(self, *args):
7226  """
7227  __ne__(Residue self, Residue o) -> bool
7228  __ne__(Residue self, Particle d) -> bool
7229  """
7230  return _IMP_atom.Residue___ne__(self, *args)
7231 
7232  def __le__(self, *args):
7233  """
7234  __le__(Residue self, Residue o) -> bool
7235  __le__(Residue self, Particle d) -> bool
7236  """
7237  return _IMP_atom.Residue___le__(self, *args)
7238 
7239  def __lt__(self, *args):
7240  """
7241  __lt__(Residue self, Residue o) -> bool
7242  __lt__(Residue self, Particle d) -> bool
7243  """
7244  return _IMP_atom.Residue___lt__(self, *args)
7245 
7246  def __ge__(self, *args):
7247  """
7248  __ge__(Residue self, Residue o) -> bool
7249  __ge__(Residue self, Particle d) -> bool
7250  """
7251  return _IMP_atom.Residue___ge__(self, *args)
7252 
7253  def __gt__(self, *args):
7254  """
7255  __gt__(Residue self, Residue o) -> bool
7256  __gt__(Residue self, Particle d) -> bool
7257  """
7258  return _IMP_atom.Residue___gt__(self, *args)
7259 
7260  def __hash__(self):
7261  """__hash__(Residue self) -> std::size_t"""
7262  return _IMP_atom.Residue___hash__(self)
7263 
7264  def __str__(self):
7265  """__str__(Residue self) -> std::string"""
7266  return _IMP_atom.Residue___str__(self)
7267 
7268  def __repr__(self):
7269  """__repr__(Residue self) -> std::string"""
7270  return _IMP_atom.Residue___repr__(self)
7271 
7272  __swig_destroy__ = _IMP_atom.delete_Residue
7273  __del__ = lambda self : None;
7274 Residue_swigregister = _IMP_atom.Residue_swigregister
7275 Residue_swigregister(Residue)
7276 UNK = cvar.UNK
7277 GLY = cvar.GLY
7278 ALA = cvar.ALA
7279 VAL = cvar.VAL
7280 LEU = cvar.LEU
7281 ILE = cvar.ILE
7282 SER = cvar.SER
7283 THR = cvar.THR
7284 CYS = cvar.CYS
7285 MET = cvar.MET
7286 PRO = cvar.PRO
7287 ASP = cvar.ASP
7288 ASN = cvar.ASN
7289 GLU = cvar.GLU
7290 GLN = cvar.GLN
7291 LYS = cvar.LYS
7292 ARG = cvar.ARG
7293 HIS = cvar.HIS
7294 PHE = cvar.PHE
7295 TYR = cvar.TYR
7296 TRP = cvar.TRP
7297 ACE = cvar.ACE
7298 NH2 = cvar.NH2
7299 ADE = cvar.ADE
7300 URA = cvar.URA
7301 CYT = cvar.CYT
7302 GUA = cvar.GUA
7303 THY = cvar.THY
7304 DADE = cvar.DADE
7305 DURA = cvar.DURA
7306 DCYT = cvar.DCYT
7307 DGUA = cvar.DGUA
7308 DTHY = cvar.DTHY
7309 HOH = cvar.HOH
7310 HEME = cvar.HEME
7311 
7312 def Residue_setup_particle(*args):
7313  """
7314  setup_particle(Model m, IMP::kernel::ParticleIndex pi, ResidueType t, int index, int insertion_code) -> Residue
7315  setup_particle(_ParticleAdaptor decorator, ResidueType t, int index, int insertion_code) -> Residue
7316  setup_particle(Model m, IMP::kernel::ParticleIndex pi, ResidueType t, int index) -> Residue
7317  setup_particle(_ParticleAdaptor decorator, ResidueType t, int index) -> Residue
7318  setup_particle(Model m, IMP::kernel::ParticleIndex pi, ResidueType t) -> Residue
7319  setup_particle(_ParticleAdaptor decorator, ResidueType t) -> Residue
7320  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Residue other) -> Residue
7321  Residue_setup_particle(_ParticleAdaptor decorator, Residue other) -> Residue
7322  """
7323  return _IMP_atom.Residue_setup_particle(*args)
7324 
7325 def Residue_get_is_setup(*args):
7326  """
7327  get_is_setup(_ParticleAdaptor p) -> bool
7328  Residue_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
7329  """
7330  return _IMP_atom.Residue_get_is_setup(*args)
7331 
7332 def Residue_get_index_key():
7333  """Residue_get_index_key() -> IntKey"""
7334  return _IMP_atom.Residue_get_index_key()
7335 
7336 def Residue_get_residue_type_key():
7337  """Residue_get_residue_type_key() -> IntKey"""
7338  return _IMP_atom.Residue_get_residue_type_key()
7339 
7340 def Residue_get_insertion_code_key():
7341  """Residue_get_insertion_code_key() -> IntKey"""
7342  return _IMP_atom.Residue_get_insertion_code_key()
7343 
7344 
7345 def get_next_residue(*args):
7346  """get_next_residue(Residue rd) -> Hierarchy"""
7347  return _IMP_atom.get_next_residue(*args)
7348 
7349 def get_previous_residue(*args):
7350  """get_previous_residue(Residue rd) -> Hierarchy"""
7351  return _IMP_atom.get_previous_residue(*args)
7352 
7353 def get_one_letter_code(*args):
7354  """get_one_letter_code(ResidueType c) -> char"""
7355  return _IMP_atom.get_one_letter_code(*args)
7356 BALLS = _IMP_atom.BALLS
7357 GAUSSIANS = _IMP_atom.GAUSSIANS
7358 class Representation(Hierarchy):
7359  """Proxy of C++ IMP::atom::Representation class"""
7360  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7361  def setup_particle(*args):
7362  """
7363  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> Representation
7364  setup_particle(_ParticleAdaptor decorator) -> Representation
7365  setup_particle(Model m, IMP::kernel::ParticleIndex pi, double resolution) -> Representation
7366  setup_particle(_ParticleAdaptor decorator, double resolution) -> Representation
7367  """
7368  return _IMP_atom.Representation_setup_particle(*args)
7369 
7370  setup_particle = staticmethod(setup_particle)
7371  def __init__(self, *args):
7372  """
7373  __init__(IMP::atom::Representation self) -> Representation
7374  __init__(IMP::atom::Representation self, Model m, ::IMP::kernel::ParticleIndex id) -> Representation
7375  __init__(IMP::atom::Representation self, _ParticleAdaptor d) -> Representation
7376  """
7377  this = _IMP_atom.new_Representation(*args)
7378  try: self.this.append(this)
7379  except: self.this = this
7380  def show(self, *args):
7381  """
7382  show(Representation self, _ostream out=std::cout)
7383  show(Representation self)
7384  """
7385  return _IMP_atom.Representation_show(self, *args)
7386 
7387  def get_is_setup(*args):
7388  """
7389  get_is_setup(_ParticleAdaptor p) -> bool
7390  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
7391  """
7392  return _IMP_atom.Representation_get_is_setup(*args)
7393 
7394  get_is_setup = staticmethod(get_is_setup)
7395  def get_representation(self, *args):
7396  """
7397  get_representation(Representation self, double resolution, IMP::atom::RepresentationType type=BALLS) -> Hierarchy
7398  get_representation(Representation self, double resolution) -> Hierarchy
7399  """
7400  return _IMP_atom.Representation_get_representation(self, *args)
7401 
7402  def get_representations(self, *args):
7403  """
7404  get_representations(Representation self, IMP::atom::RepresentationType type=BALLS) -> IMP::atom::Hierarchies
7405  get_representations(Representation self) -> IMP::atom::Hierarchies
7406  """
7407  return _IMP_atom.Representation_get_representations(self, *args)
7408 
7409  def add_representation(self, *args):
7410  """
7411  add_representation(Representation self, _ParticleIndexAdaptor rep, IMP::atom::RepresentationType type=BALLS, double resolution=-1)
7412  add_representation(Representation self, _ParticleIndexAdaptor rep, IMP::atom::RepresentationType type=BALLS)
7413  add_representation(Representation self, _ParticleIndexAdaptor rep)
7414  """
7415  return _IMP_atom.Representation_add_representation(self, *args)
7416 
7417  def get_resolutions(self, *args):
7418  """
7419  get_resolutions(Representation self, IMP::atom::RepresentationType type=BALLS) -> IMP::Floats
7420  get_resolutions(Representation self) -> IMP::Floats
7421  """
7422  return _IMP_atom.Representation_get_resolutions(self, *args)
7423 
7424  def add_attribute(self, *args):
7425  """
7426  add_attribute(Representation self, FloatKey k, IMP::Float v, bool opt)
7427  add_attribute(Representation self, FloatKey a0, IMP::Float a1)
7428  add_attribute(Representation self, IntKey a0, IMP::Int a1)
7429  add_attribute(Representation self, StringKey a0, IMP::String a1)
7430  add_attribute(Representation self, ParticleIndexKey a0, Particle a1)
7431  add_attribute(Representation self, ObjectKey a0, Object a1)
7432  """
7433  return _IMP_atom.Representation_add_attribute(self, *args)
7434 
7435  def get_value(self, *args):
7436  """
7437  get_value(Representation self, FloatKey a0) -> IMP::Float
7438  get_value(Representation self, IntKey a0) -> IMP::Int
7439  get_value(Representation self, StringKey a0) -> IMP::String
7440  get_value(Representation self, ParticleIndexKey a0) -> Particle
7441  get_value(Representation self, ObjectKey a0) -> Object
7442  """
7443  return _IMP_atom.Representation_get_value(self, *args)
7444 
7445  def set_value(self, *args):
7446  """
7447  set_value(Representation self, FloatKey a0, IMP::Float a1)
7448  set_value(Representation self, IntKey a0, IMP::Int a1)
7449  set_value(Representation self, StringKey a0, IMP::String a1)
7450  set_value(Representation self, ParticleIndexKey a0, Particle a1)
7451  set_value(Representation self, ObjectKey a0, Object a1)
7452  """
7453  return _IMP_atom.Representation_set_value(self, *args)
7454 
7455  def remove_attribute(self, *args):
7456  """
7457  remove_attribute(Representation self, FloatKey a0)
7458  remove_attribute(Representation self, IntKey a0)
7459  remove_attribute(Representation self, StringKey a0)
7460  remove_attribute(Representation self, ParticleIndexKey a0)
7461  remove_attribute(Representation self, ObjectKey a0)
7462  """
7463  return _IMP_atom.Representation_remove_attribute(self, *args)
7464 
7465  def has_attribute(self, *args):
7466  """
7467  has_attribute(Representation self, FloatKey a0) -> bool
7468  has_attribute(Representation self, IntKey a0) -> bool
7469  has_attribute(Representation self, StringKey a0) -> bool
7470  has_attribute(Representation self, ParticleIndexKey a0) -> bool
7471  has_attribute(Representation self, ObjectKey a0) -> bool
7472  """
7473  return _IMP_atom.Representation_has_attribute(self, *args)
7474 
7475  def get_derivative(self, *args):
7476  """get_derivative(Representation self, FloatKey a0) -> double"""
7477  return _IMP_atom.Representation_get_derivative(self, *args)
7478 
7479  def get_name(self):
7480  """get_name(Representation self) -> std::string"""
7481  return _IMP_atom.Representation_get_name(self)
7482 
7483  def clear_caches(self):
7484  """clear_caches(Representation self)"""
7485  return _IMP_atom.Representation_clear_caches(self)
7486 
7487  def set_name(self, *args):
7488  """set_name(Representation self, std::string a0)"""
7489  return _IMP_atom.Representation_set_name(self, *args)
7490 
7491  def set_check_level(self, *args):
7492  """set_check_level(Representation self, IMP::base::CheckLevel a0)"""
7493  return _IMP_atom.Representation_set_check_level(self, *args)
7494 
7495  def add_to_derivative(self, *args):
7496  """add_to_derivative(Representation self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7497  return _IMP_atom.Representation_add_to_derivative(self, *args)
7498 
7499  def set_is_optimized(self, *args):
7500  """set_is_optimized(Representation self, FloatKey a0, bool a1)"""
7501  return _IMP_atom.Representation_set_is_optimized(self, *args)
7502 
7503  def get_is_optimized(self, *args):
7504  """get_is_optimized(Representation self, FloatKey a0) -> bool"""
7505  return _IMP_atom.Representation_get_is_optimized(self, *args)
7506 
7507  def get_check_level(self):
7508  """get_check_level(Representation self) -> IMP::base::CheckLevel"""
7509  return _IMP_atom.Representation_get_check_level(self)
7510 
7511  def __eq__(self, *args):
7512  """
7513  __eq__(Representation self, Representation o) -> bool
7514  __eq__(Representation self, Particle d) -> bool
7515  """
7516  return _IMP_atom.Representation___eq__(self, *args)
7517 
7518  def __ne__(self, *args):
7519  """
7520  __ne__(Representation self, Representation o) -> bool
7521  __ne__(Representation self, Particle d) -> bool
7522  """
7523  return _IMP_atom.Representation___ne__(self, *args)
7524 
7525  def __le__(self, *args):
7526  """
7527  __le__(Representation self, Representation o) -> bool
7528  __le__(Representation self, Particle d) -> bool
7529  """
7530  return _IMP_atom.Representation___le__(self, *args)
7531 
7532  def __lt__(self, *args):
7533  """
7534  __lt__(Representation self, Representation o) -> bool
7535  __lt__(Representation self, Particle d) -> bool
7536  """
7537  return _IMP_atom.Representation___lt__(self, *args)
7538 
7539  def __ge__(self, *args):
7540  """
7541  __ge__(Representation self, Representation o) -> bool
7542  __ge__(Representation self, Particle d) -> bool
7543  """
7544  return _IMP_atom.Representation___ge__(self, *args)
7545 
7546  def __gt__(self, *args):
7547  """
7548  __gt__(Representation self, Representation o) -> bool
7549  __gt__(Representation self, Particle d) -> bool
7550  """
7551  return _IMP_atom.Representation___gt__(self, *args)
7552 
7553  def __hash__(self):
7554  """__hash__(Representation self) -> std::size_t"""
7555  return _IMP_atom.Representation___hash__(self)
7556 
7557  def __str__(self):
7558  """__str__(Representation self) -> std::string"""
7559  return _IMP_atom.Representation___str__(self)
7560 
7561  def __repr__(self):
7562  """__repr__(Representation self) -> std::string"""
7563  return _IMP_atom.Representation___repr__(self)
7564 
7565  __swig_destroy__ = _IMP_atom.delete_Representation
7566  __del__ = lambda self : None;
7567 Representation_swigregister = _IMP_atom.Representation_swigregister
7568 Representation_swigregister(Representation)
7569 ALL_RESOLUTIONS = cvar.ALL_RESOLUTIONS
7570 
7571 def Representation_setup_particle(*args):
7572  """
7573  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> Representation
7574  setup_particle(_ParticleAdaptor decorator) -> Representation
7575  setup_particle(Model m, IMP::kernel::ParticleIndex pi, double resolution) -> Representation
7576  Representation_setup_particle(_ParticleAdaptor decorator, double resolution) -> Representation
7577  """
7578  return _IMP_atom.Representation_setup_particle(*args)
7579 
7580 def Representation_get_is_setup(*args):
7581  """
7582  get_is_setup(_ParticleAdaptor p) -> bool
7583  Representation_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
7584  """
7585  return _IMP_atom.Representation_get_is_setup(*args)
7586 
7587 
7588 def get_resolution(*args):
7589  """
7590  get_resolution(Model m, IMP::kernel::ParticleIndex pi) -> double
7591  get_resolution(Hierarchy h) -> double
7592  """
7593  return _IMP_atom.get_resolution(*args)
7594 class State(Hierarchy):
7595  """Proxy of C++ IMP::atom::State class"""
7596  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7597  def setup_particle(*args):
7598  """
7599  setup_particle(Model m, IMP::kernel::ParticleIndex pi, unsigned int index) -> State
7600  setup_particle(_ParticleAdaptor decorator, unsigned int index) -> State
7601  """
7602  return _IMP_atom.State_setup_particle(*args)
7603 
7604  setup_particle = staticmethod(setup_particle)
7605  def __init__(self, *args):
7606  """
7607  __init__(IMP::atom::State self) -> State
7608  __init__(IMP::atom::State self, Model m, ::IMP::kernel::ParticleIndex id) -> State
7609  __init__(IMP::atom::State self, _ParticleAdaptor d) -> State
7610  """
7611  this = _IMP_atom.new_State(*args)
7612  try: self.this.append(this)
7613  except: self.this = this
7614  def show(self, *args):
7615  """
7616  show(State self, _ostream out=std::cout)
7617  show(State self)
7618  """
7619  return _IMP_atom.State_show(self, *args)
7620 
7621  def get_is_setup(*args):
7622  """
7623  get_is_setup(_ParticleAdaptor p) -> bool
7624  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
7625  """
7626  return _IMP_atom.State_get_is_setup(*args)
7627 
7628  get_is_setup = staticmethod(get_is_setup)
7629  def get_state_index(self):
7630  """get_state_index(State self) -> unsigned int"""
7631  return _IMP_atom.State_get_state_index(self)
7632 
7633  def add_attribute(self, *args):
7634  """
7635  add_attribute(State self, FloatKey k, IMP::Float v, bool opt)
7636  add_attribute(State self, FloatKey a0, IMP::Float a1)
7637  add_attribute(State self, IntKey a0, IMP::Int a1)
7638  add_attribute(State self, StringKey a0, IMP::String a1)
7639  add_attribute(State self, ParticleIndexKey a0, Particle a1)
7640  add_attribute(State self, ObjectKey a0, Object a1)
7641  """
7642  return _IMP_atom.State_add_attribute(self, *args)
7643 
7644  def get_value(self, *args):
7645  """
7646  get_value(State self, FloatKey a0) -> IMP::Float
7647  get_value(State self, IntKey a0) -> IMP::Int
7648  get_value(State self, StringKey a0) -> IMP::String
7649  get_value(State self, ParticleIndexKey a0) -> Particle
7650  get_value(State self, ObjectKey a0) -> Object
7651  """
7652  return _IMP_atom.State_get_value(self, *args)
7653 
7654  def set_value(self, *args):
7655  """
7656  set_value(State self, FloatKey a0, IMP::Float a1)
7657  set_value(State self, IntKey a0, IMP::Int a1)
7658  set_value(State self, StringKey a0, IMP::String a1)
7659  set_value(State self, ParticleIndexKey a0, Particle a1)
7660  set_value(State self, ObjectKey a0, Object a1)
7661  """
7662  return _IMP_atom.State_set_value(self, *args)
7663 
7664  def remove_attribute(self, *args):
7665  """
7666  remove_attribute(State self, FloatKey a0)
7667  remove_attribute(State self, IntKey a0)
7668  remove_attribute(State self, StringKey a0)
7669  remove_attribute(State self, ParticleIndexKey a0)
7670  remove_attribute(State self, ObjectKey a0)
7671  """
7672  return _IMP_atom.State_remove_attribute(self, *args)
7673 
7674  def has_attribute(self, *args):
7675  """
7676  has_attribute(State self, FloatKey a0) -> bool
7677  has_attribute(State self, IntKey a0) -> bool
7678  has_attribute(State self, StringKey a0) -> bool
7679  has_attribute(State self, ParticleIndexKey a0) -> bool
7680  has_attribute(State self, ObjectKey a0) -> bool
7681  """
7682  return _IMP_atom.State_has_attribute(self, *args)
7683 
7684  def get_derivative(self, *args):
7685  """get_derivative(State self, FloatKey a0) -> double"""
7686  return _IMP_atom.State_get_derivative(self, *args)
7687 
7688  def get_name(self):
7689  """get_name(State self) -> std::string"""
7690  return _IMP_atom.State_get_name(self)
7691 
7692  def clear_caches(self):
7693  """clear_caches(State self)"""
7694  return _IMP_atom.State_clear_caches(self)
7695 
7696  def set_name(self, *args):
7697  """set_name(State self, std::string a0)"""
7698  return _IMP_atom.State_set_name(self, *args)
7699 
7700  def set_check_level(self, *args):
7701  """set_check_level(State self, IMP::base::CheckLevel a0)"""
7702  return _IMP_atom.State_set_check_level(self, *args)
7703 
7704  def add_to_derivative(self, *args):
7705  """add_to_derivative(State self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7706  return _IMP_atom.State_add_to_derivative(self, *args)
7707 
7708  def set_is_optimized(self, *args):
7709  """set_is_optimized(State self, FloatKey a0, bool a1)"""
7710  return _IMP_atom.State_set_is_optimized(self, *args)
7711 
7712  def get_is_optimized(self, *args):
7713  """get_is_optimized(State self, FloatKey a0) -> bool"""
7714  return _IMP_atom.State_get_is_optimized(self, *args)
7715 
7716  def get_check_level(self):
7717  """get_check_level(State self) -> IMP::base::CheckLevel"""
7718  return _IMP_atom.State_get_check_level(self)
7719 
7720  def __eq__(self, *args):
7721  """
7722  __eq__(State self, State o) -> bool
7723  __eq__(State self, Particle d) -> bool
7724  """
7725  return _IMP_atom.State___eq__(self, *args)
7726 
7727  def __ne__(self, *args):
7728  """
7729  __ne__(State self, State o) -> bool
7730  __ne__(State self, Particle d) -> bool
7731  """
7732  return _IMP_atom.State___ne__(self, *args)
7733 
7734  def __le__(self, *args):
7735  """
7736  __le__(State self, State o) -> bool
7737  __le__(State self, Particle d) -> bool
7738  """
7739  return _IMP_atom.State___le__(self, *args)
7740 
7741  def __lt__(self, *args):
7742  """
7743  __lt__(State self, State o) -> bool
7744  __lt__(State self, Particle d) -> bool
7745  """
7746  return _IMP_atom.State___lt__(self, *args)
7747 
7748  def __ge__(self, *args):
7749  """
7750  __ge__(State self, State o) -> bool
7751  __ge__(State self, Particle d) -> bool
7752  """
7753  return _IMP_atom.State___ge__(self, *args)
7754 
7755  def __gt__(self, *args):
7756  """
7757  __gt__(State self, State o) -> bool
7758  __gt__(State self, Particle d) -> bool
7759  """
7760  return _IMP_atom.State___gt__(self, *args)
7761 
7762  def __hash__(self):
7763  """__hash__(State self) -> std::size_t"""
7764  return _IMP_atom.State___hash__(self)
7765 
7766  def __str__(self):
7767  """__str__(State self) -> std::string"""
7768  return _IMP_atom.State___str__(self)
7769 
7770  def __repr__(self):
7771  """__repr__(State self) -> std::string"""
7772  return _IMP_atom.State___repr__(self)
7773 
7774  __swig_destroy__ = _IMP_atom.delete_State
7775  __del__ = lambda self : None;
7776 State_swigregister = _IMP_atom.State_swigregister
7777 State_swigregister(State)
7778 
7779 def State_setup_particle(*args):
7780  """
7781  setup_particle(Model m, IMP::kernel::ParticleIndex pi, unsigned int index) -> State
7782  State_setup_particle(_ParticleAdaptor decorator, unsigned int index) -> State
7783  """
7784  return _IMP_atom.State_setup_particle(*args)
7785 
7786 def State_get_is_setup(*args):
7787  """
7788  get_is_setup(_ParticleAdaptor p) -> bool
7789  State_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
7790  """
7791  return _IMP_atom.State_get_is_setup(*args)
7792 
7793 
7794 def get_state_index(*args):
7795  """get_state_index(Hierarchy h) -> int"""
7796  return _IMP_atom.get_state_index(*args)
7797 
7798 def get_phi_dihedral_atoms(*args):
7799  """get_phi_dihedral_atoms(Residue rd) -> IMP::atom::Atoms"""
7800  return _IMP_atom.get_phi_dihedral_atoms(*args)
7801 
7802 def get_psi_dihedral_atoms(*args):
7803  """get_psi_dihedral_atoms(Residue rd) -> IMP::atom::Atoms"""
7804  return _IMP_atom.get_psi_dihedral_atoms(*args)
7805 class Molecule(Hierarchy):
7806  """Proxy of C++ IMP::atom::Molecule class"""
7807  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7808  def __init__(self, *args):
7809  """
7810  __init__(IMP::atom::Molecule self) -> Molecule
7811  __init__(IMP::atom::Molecule self, Model m, ::IMP::kernel::ParticleIndex id) -> Molecule
7812  __init__(IMP::atom::Molecule self, _ParticleAdaptor d) -> Molecule
7813  """
7814  this = _IMP_atom.new_Molecule(*args)
7815  try: self.this.append(this)
7816  except: self.this = this
7817  def show(self, *args):
7818  """
7819  show(Molecule self, _ostream out=std::cout)
7820  show(Molecule self)
7821  """
7822  return _IMP_atom.Molecule_show(self, *args)
7823 
7824  def setup_particle(*args):
7825  """
7826  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> Molecule
7827  setup_particle(_ParticleAdaptor decorator) -> Molecule
7828  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Molecule other) -> Molecule
7829  setup_particle(_ParticleAdaptor decorator, Molecule other) -> Molecule
7830  """
7831  return _IMP_atom.Molecule_setup_particle(*args)
7832 
7833  setup_particle = staticmethod(setup_particle)
7834  def get_is_setup(*args):
7835  """
7836  get_is_setup(_ParticleAdaptor p) -> bool
7837  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
7838  """
7839  return _IMP_atom.Molecule_get_is_setup(*args)
7840 
7841  get_is_setup = staticmethod(get_is_setup)
7842  def add_attribute(self, *args):
7843  """
7844  add_attribute(Molecule self, FloatKey k, IMP::Float v, bool opt)
7845  add_attribute(Molecule self, FloatKey a0, IMP::Float a1)
7846  add_attribute(Molecule self, IntKey a0, IMP::Int a1)
7847  add_attribute(Molecule self, StringKey a0, IMP::String a1)
7848  add_attribute(Molecule self, ParticleIndexKey a0, Particle a1)
7849  add_attribute(Molecule self, ObjectKey a0, Object a1)
7850  """
7851  return _IMP_atom.Molecule_add_attribute(self, *args)
7852 
7853  def get_value(self, *args):
7854  """
7855  get_value(Molecule self, FloatKey a0) -> IMP::Float
7856  get_value(Molecule self, IntKey a0) -> IMP::Int
7857  get_value(Molecule self, StringKey a0) -> IMP::String
7858  get_value(Molecule self, ParticleIndexKey a0) -> Particle
7859  get_value(Molecule self, ObjectKey a0) -> Object
7860  """
7861  return _IMP_atom.Molecule_get_value(self, *args)
7862 
7863  def set_value(self, *args):
7864  """
7865  set_value(Molecule self, FloatKey a0, IMP::Float a1)
7866  set_value(Molecule self, IntKey a0, IMP::Int a1)
7867  set_value(Molecule self, StringKey a0, IMP::String a1)
7868  set_value(Molecule self, ParticleIndexKey a0, Particle a1)
7869  set_value(Molecule self, ObjectKey a0, Object a1)
7870  """
7871  return _IMP_atom.Molecule_set_value(self, *args)
7872 
7873  def remove_attribute(self, *args):
7874  """
7875  remove_attribute(Molecule self, FloatKey a0)
7876  remove_attribute(Molecule self, IntKey a0)
7877  remove_attribute(Molecule self, StringKey a0)
7878  remove_attribute(Molecule self, ParticleIndexKey a0)
7879  remove_attribute(Molecule self, ObjectKey a0)
7880  """
7881  return _IMP_atom.Molecule_remove_attribute(self, *args)
7882 
7883  def has_attribute(self, *args):
7884  """
7885  has_attribute(Molecule self, FloatKey a0) -> bool
7886  has_attribute(Molecule self, IntKey a0) -> bool
7887  has_attribute(Molecule self, StringKey a0) -> bool
7888  has_attribute(Molecule self, ParticleIndexKey a0) -> bool
7889  has_attribute(Molecule self, ObjectKey a0) -> bool
7890  """
7891  return _IMP_atom.Molecule_has_attribute(self, *args)
7892 
7893  def get_derivative(self, *args):
7894  """get_derivative(Molecule self, FloatKey a0) -> double"""
7895  return _IMP_atom.Molecule_get_derivative(self, *args)
7896 
7897  def get_name(self):
7898  """get_name(Molecule self) -> std::string"""
7899  return _IMP_atom.Molecule_get_name(self)
7900 
7901  def clear_caches(self):
7902  """clear_caches(Molecule self)"""
7903  return _IMP_atom.Molecule_clear_caches(self)
7904 
7905  def set_name(self, *args):
7906  """set_name(Molecule self, std::string a0)"""
7907  return _IMP_atom.Molecule_set_name(self, *args)
7908 
7909  def set_check_level(self, *args):
7910  """set_check_level(Molecule self, IMP::base::CheckLevel a0)"""
7911  return _IMP_atom.Molecule_set_check_level(self, *args)
7912 
7913  def add_to_derivative(self, *args):
7914  """add_to_derivative(Molecule self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7915  return _IMP_atom.Molecule_add_to_derivative(self, *args)
7916 
7917  def set_is_optimized(self, *args):
7918  """set_is_optimized(Molecule self, FloatKey a0, bool a1)"""
7919  return _IMP_atom.Molecule_set_is_optimized(self, *args)
7920 
7921  def get_is_optimized(self, *args):
7922  """get_is_optimized(Molecule self, FloatKey a0) -> bool"""
7923  return _IMP_atom.Molecule_get_is_optimized(self, *args)
7924 
7925  def get_check_level(self):
7926  """get_check_level(Molecule self) -> IMP::base::CheckLevel"""
7927  return _IMP_atom.Molecule_get_check_level(self)
7928 
7929  def __eq__(self, *args):
7930  """
7931  __eq__(Molecule self, Molecule o) -> bool
7932  __eq__(Molecule self, Particle d) -> bool
7933  """
7934  return _IMP_atom.Molecule___eq__(self, *args)
7935 
7936  def __ne__(self, *args):
7937  """
7938  __ne__(Molecule self, Molecule o) -> bool
7939  __ne__(Molecule self, Particle d) -> bool
7940  """
7941  return _IMP_atom.Molecule___ne__(self, *args)
7942 
7943  def __le__(self, *args):
7944  """
7945  __le__(Molecule self, Molecule o) -> bool
7946  __le__(Molecule self, Particle d) -> bool
7947  """
7948  return _IMP_atom.Molecule___le__(self, *args)
7949 
7950  def __lt__(self, *args):
7951  """
7952  __lt__(Molecule self, Molecule o) -> bool
7953  __lt__(Molecule self, Particle d) -> bool
7954  """
7955  return _IMP_atom.Molecule___lt__(self, *args)
7956 
7957  def __ge__(self, *args):
7958  """
7959  __ge__(Molecule self, Molecule o) -> bool
7960  __ge__(Molecule self, Particle d) -> bool
7961  """
7962  return _IMP_atom.Molecule___ge__(self, *args)
7963 
7964  def __gt__(self, *args):
7965  """
7966  __gt__(Molecule self, Molecule o) -> bool
7967  __gt__(Molecule self, Particle d) -> bool
7968  """
7969  return _IMP_atom.Molecule___gt__(self, *args)
7970 
7971  def __hash__(self):
7972  """__hash__(Molecule self) -> std::size_t"""
7973  return _IMP_atom.Molecule___hash__(self)
7974 
7975  def __str__(self):
7976  """__str__(Molecule self) -> std::string"""
7977  return _IMP_atom.Molecule___str__(self)
7978 
7979  def __repr__(self):
7980  """__repr__(Molecule self) -> std::string"""
7981  return _IMP_atom.Molecule___repr__(self)
7982 
7983  __swig_destroy__ = _IMP_atom.delete_Molecule
7984  __del__ = lambda self : None;
7985 Molecule_swigregister = _IMP_atom.Molecule_swigregister
7986 Molecule_swigregister(Molecule)
7987 
7988 def Molecule_setup_particle(*args):
7989  """
7990  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> Molecule
7991  setup_particle(_ParticleAdaptor decorator) -> Molecule
7992  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Molecule other) -> Molecule
7993  Molecule_setup_particle(_ParticleAdaptor decorator, Molecule other) -> Molecule
7994  """
7995  return _IMP_atom.Molecule_setup_particle(*args)
7996 
7997 def Molecule_get_is_setup(*args):
7998  """
7999  get_is_setup(_ParticleAdaptor p) -> bool
8000  Molecule_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
8001  """
8002  return _IMP_atom.Molecule_get_is_setup(*args)
8003 
8004 
8005 def get_molecule_name(*args):
8006  """get_molecule_name(Hierarchy h) -> std::string"""
8007  return _IMP_atom.get_molecule_name(*args)
8008 class Copy(Molecule):
8009  """Proxy of C++ IMP::atom::Copy class"""
8010  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8011  def get_copy_index_key():
8012  """get_copy_index_key() -> IntKey"""
8013  return _IMP_atom.Copy_get_copy_index_key()
8014 
8015  get_copy_index_key = staticmethod(get_copy_index_key)
8016  def __init__(self, *args):
8017  """
8018  __init__(IMP::atom::Copy self) -> Copy
8019  __init__(IMP::atom::Copy self, Model m, ::IMP::kernel::ParticleIndex id) -> Copy
8020  __init__(IMP::atom::Copy self, _ParticleAdaptor d) -> Copy
8021  """
8022  this = _IMP_atom.new_Copy(*args)
8023  try: self.this.append(this)
8024  except: self.this = this
8025  def show(self, *args):
8026  """
8027  show(Copy self, _ostream out=std::cout)
8028  show(Copy self)
8029  """
8030  return _IMP_atom.Copy_show(self, *args)
8031 
8032  def setup_particle(*args):
8033  """
8034  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Int number) -> Copy
8035  setup_particle(_ParticleAdaptor decorator, IMP::Int number) -> Copy
8036  """
8037  return _IMP_atom.Copy_setup_particle(*args)
8038 
8039  setup_particle = staticmethod(setup_particle)
8040  def get_is_setup(*args):
8041  """
8042  get_is_setup(_ParticleAdaptor p) -> bool
8043  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
8044  """
8045  return _IMP_atom.Copy_get_is_setup(*args)
8046 
8047  get_is_setup = staticmethod(get_is_setup)
8048  def get_copy_index(self):
8049  """get_copy_index(Copy self) -> int"""
8050  return _IMP_atom.Copy_get_copy_index(self)
8051 
8052  def add_attribute(self, *args):
8053  """
8054  add_attribute(Copy self, FloatKey k, IMP::Float v, bool opt)
8055  add_attribute(Copy self, FloatKey a0, IMP::Float a1)
8056  add_attribute(Copy self, IntKey a0, IMP::Int a1)
8057  add_attribute(Copy self, StringKey a0, IMP::String a1)
8058  add_attribute(Copy self, ParticleIndexKey a0, Particle a1)
8059  add_attribute(Copy self, ObjectKey a0, Object a1)
8060  """
8061  return _IMP_atom.Copy_add_attribute(self, *args)
8062 
8063  def get_value(self, *args):
8064  """
8065  get_value(Copy self, FloatKey a0) -> IMP::Float
8066  get_value(Copy self, IntKey a0) -> IMP::Int
8067  get_value(Copy self, StringKey a0) -> IMP::String
8068  get_value(Copy self, ParticleIndexKey a0) -> Particle
8069  get_value(Copy self, ObjectKey a0) -> Object
8070  """
8071  return _IMP_atom.Copy_get_value(self, *args)
8072 
8073  def set_value(self, *args):
8074  """
8075  set_value(Copy self, FloatKey a0, IMP::Float a1)
8076  set_value(Copy self, IntKey a0, IMP::Int a1)
8077  set_value(Copy self, StringKey a0, IMP::String a1)
8078  set_value(Copy self, ParticleIndexKey a0, Particle a1)
8079  set_value(Copy self, ObjectKey a0, Object a1)
8080  """
8081  return _IMP_atom.Copy_set_value(self, *args)
8082 
8083  def remove_attribute(self, *args):
8084  """
8085  remove_attribute(Copy self, FloatKey a0)
8086  remove_attribute(Copy self, IntKey a0)
8087  remove_attribute(Copy self, StringKey a0)
8088  remove_attribute(Copy self, ParticleIndexKey a0)
8089  remove_attribute(Copy self, ObjectKey a0)
8090  """
8091  return _IMP_atom.Copy_remove_attribute(self, *args)
8092 
8093  def has_attribute(self, *args):
8094  """
8095  has_attribute(Copy self, FloatKey a0) -> bool
8096  has_attribute(Copy self, IntKey a0) -> bool
8097  has_attribute(Copy self, StringKey a0) -> bool
8098  has_attribute(Copy self, ParticleIndexKey a0) -> bool
8099  has_attribute(Copy self, ObjectKey a0) -> bool
8100  """
8101  return _IMP_atom.Copy_has_attribute(self, *args)
8102 
8103  def get_derivative(self, *args):
8104  """get_derivative(Copy self, FloatKey a0) -> double"""
8105  return _IMP_atom.Copy_get_derivative(self, *args)
8106 
8107  def get_name(self):
8108  """get_name(Copy self) -> std::string"""
8109  return _IMP_atom.Copy_get_name(self)
8110 
8111  def clear_caches(self):
8112  """clear_caches(Copy self)"""
8113  return _IMP_atom.Copy_clear_caches(self)
8114 
8115  def set_name(self, *args):
8116  """set_name(Copy self, std::string a0)"""
8117  return _IMP_atom.Copy_set_name(self, *args)
8118 
8119  def set_check_level(self, *args):
8120  """set_check_level(Copy self, IMP::base::CheckLevel a0)"""
8121  return _IMP_atom.Copy_set_check_level(self, *args)
8122 
8123  def add_to_derivative(self, *args):
8124  """add_to_derivative(Copy self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
8125  return _IMP_atom.Copy_add_to_derivative(self, *args)
8126 
8127  def set_is_optimized(self, *args):
8128  """set_is_optimized(Copy self, FloatKey a0, bool a1)"""
8129  return _IMP_atom.Copy_set_is_optimized(self, *args)
8130 
8131  def get_is_optimized(self, *args):
8132  """get_is_optimized(Copy self, FloatKey a0) -> bool"""
8133  return _IMP_atom.Copy_get_is_optimized(self, *args)
8134 
8135  def get_check_level(self):
8136  """get_check_level(Copy self) -> IMP::base::CheckLevel"""
8137  return _IMP_atom.Copy_get_check_level(self)
8138 
8139  def __eq__(self, *args):
8140  """
8141  __eq__(Copy self, Copy o) -> bool
8142  __eq__(Copy self, Particle d) -> bool
8143  """
8144  return _IMP_atom.Copy___eq__(self, *args)
8145 
8146  def __ne__(self, *args):
8147  """
8148  __ne__(Copy self, Copy o) -> bool
8149  __ne__(Copy self, Particle d) -> bool
8150  """
8151  return _IMP_atom.Copy___ne__(self, *args)
8152 
8153  def __le__(self, *args):
8154  """
8155  __le__(Copy self, Copy o) -> bool
8156  __le__(Copy self, Particle d) -> bool
8157  """
8158  return _IMP_atom.Copy___le__(self, *args)
8159 
8160  def __lt__(self, *args):
8161  """
8162  __lt__(Copy self, Copy o) -> bool
8163  __lt__(Copy self, Particle d) -> bool
8164  """
8165  return _IMP_atom.Copy___lt__(self, *args)
8166 
8167  def __ge__(self, *args):
8168  """
8169  __ge__(Copy self, Copy o) -> bool
8170  __ge__(Copy self, Particle d) -> bool
8171  """
8172  return _IMP_atom.Copy___ge__(self, *args)
8173 
8174  def __gt__(self, *args):
8175  """
8176  __gt__(Copy self, Copy o) -> bool
8177  __gt__(Copy self, Particle d) -> bool
8178  """
8179  return _IMP_atom.Copy___gt__(self, *args)
8180 
8181  def __hash__(self):
8182  """__hash__(Copy self) -> std::size_t"""
8183  return _IMP_atom.Copy___hash__(self)
8184 
8185  def __str__(self):
8186  """__str__(Copy self) -> std::string"""
8187  return _IMP_atom.Copy___str__(self)
8188 
8189  def __repr__(self):
8190  """__repr__(Copy self) -> std::string"""
8191  return _IMP_atom.Copy___repr__(self)
8192 
8193  __swig_destroy__ = _IMP_atom.delete_Copy
8194  __del__ = lambda self : None;
8195 Copy_swigregister = _IMP_atom.Copy_swigregister
8196 Copy_swigregister(Copy)
8197 
8198 def Copy_get_copy_index_key():
8199  """Copy_get_copy_index_key() -> IntKey"""
8200  return _IMP_atom.Copy_get_copy_index_key()
8201 
8202 def Copy_setup_particle(*args):
8203  """
8204  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Int number) -> Copy
8205  Copy_setup_particle(_ParticleAdaptor decorator, IMP::Int number) -> Copy
8206  """
8207  return _IMP_atom.Copy_setup_particle(*args)
8208 
8209 def Copy_get_is_setup(*args):
8210  """
8211  get_is_setup(_ParticleAdaptor p) -> bool
8212  Copy_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
8213  """
8214  return _IMP_atom.Copy_get_is_setup(*args)
8215 
8216 
8217 def __lshift__(*args):
8218  """
8219  __lshift__(_ostream out, Bonded n) -> _ostream
8220  __lshift__(_ostream out, Bond n) -> _ostream
8221  __lshift__(_ostream out, Hierarchy n) -> _ostream
8222  __lshift__(_ostream out, Angle n) -> _ostream
8223  __lshift__(_ostream out, Dihedral n) -> _ostream
8224  __lshift__(_ostream out, CenterOfMass n) -> _ostream
8225  __lshift__(_ostream out, Diffusion n) -> _ostream
8226  __lshift__(_ostream out, RigidBodyDiffusion n) -> _ostream
8227  __lshift__(_ostream out, Chain n) -> _ostream
8228  __lshift__(_ostream out, Charged n) -> _ostream
8229  __lshift__(_ostream out, Domain n) -> _ostream
8230  __lshift__(_ostream out, LennardJones n) -> _ostream
8231  __lshift__(_ostream out, Fragment n) -> _ostream
8232  __lshift__(_ostream out, SecondaryStructureResidue n) -> _ostream
8233  __lshift__(_ostream out, Atom n) -> _ostream
8234  __lshift__(_ostream out, Residue n) -> _ostream
8235  __lshift__(_ostream out, Representation n) -> _ostream
8236  __lshift__(_ostream out, State n) -> _ostream
8237  __lshift__(_ostream out, Molecule n) -> _ostream
8238  __lshift__(_ostream out, Copy n) -> _ostream
8239  """
8240  return _IMP_atom.__lshift__(*args)
8241 
8242 def get_copy_index(*args):
8243  """get_copy_index(Hierarchy h) -> int"""
8244  return _IMP_atom.get_copy_index(*args)
8245 class Selection(IMP.kernel._ParticleIndexesAdaptor):
8246  """Proxy of C++ IMP::atom::Selection class"""
8247  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8248  NONE = _IMP_atom.Selection_NONE
8249  C = _IMP_atom.Selection_C
8250  N = _IMP_atom.Selection_N
8251  def __init__(self, *args):
8252  """
8253  __init__(IMP::atom::Selection self) -> Selection
8254  __init__(IMP::atom::Selection self, Hierarchy h) -> Selection
8255  __init__(IMP::atom::Selection self, Particle h) -> Selection
8256  __init__(IMP::atom::Selection self, Model m, IMP::kernel::ParticleIndexes const & pis) -> Selection
8257  __init__(IMP::atom::Selection self, IMP::kernel::ParticlesTemp const & h) -> Selection
8258  """
8259  this = _IMP_atom.new_Selection(*args)
8260  try: self.this.append(this)
8261  except: self.this = this
8262  def create_clone(self):
8263  """create_clone(Selection self) -> Selection"""
8264  return _IMP_atom.Selection_create_clone(self)
8265 
8266  def get_hierarchies(self):
8267  """get_hierarchies(Selection self) -> IMP::atom::Hierarchies"""
8268  return _IMP_atom.Selection_get_hierarchies(self)
8269 
8270  def set_molecules(self, *args):
8271  """set_molecules(Selection self, IMP::Strings mols)"""
8272  return _IMP_atom.Selection_set_molecules(self, *args)
8273 
8274  def set_resolution(self, *args):
8275  """set_resolution(Selection self, double r)"""
8276  return _IMP_atom.Selection_set_resolution(self, *args)
8277 
8278  def set_state_index(self, *args):
8279  """set_state_index(Selection self, int state)"""
8280  return _IMP_atom.Selection_set_state_index(self, *args)
8281 
8282  def set_state_indexes(self, *args):
8283  """set_state_indexes(Selection self, IMP::Ints states)"""
8284  return _IMP_atom.Selection_set_state_indexes(self, *args)
8285 
8286  def set_terminus(self, *args):
8287  """set_terminus(Selection self, IMP::atom::Selection::Terminus t)"""
8288  return _IMP_atom.Selection_set_terminus(self, *args)
8289 
8290  def set_chain_ids(self, *args):
8291  """set_chain_ids(Selection self, IMP::Strings chains)"""
8292  return _IMP_atom.Selection_set_chain_ids(self, *args)
8293 
8294  def set_chains(self, *args):
8295  """set_chains(Selection self, IMP::Strings chains)"""
8296  return _IMP_atom.Selection_set_chains(self, *args)
8297 
8298  def set_residue_indexes(self, *args):
8299  """set_residue_indexes(Selection self, IMP::Ints indexes)"""
8300  return _IMP_atom.Selection_set_residue_indexes(self, *args)
8301 
8302  def set_atom_types(self, *args):
8303  """set_atom_types(Selection self, IMP::atom::AtomTypes types)"""
8304  return _IMP_atom.Selection_set_atom_types(self, *args)
8305 
8306  def set_residue_types(self, *args):
8307  """set_residue_types(Selection self, IMP::atom::ResidueTypes types)"""
8308  return _IMP_atom.Selection_set_residue_types(self, *args)
8309 
8310  def set_domains(self, *args):
8311  """set_domains(Selection self, IMP::Strings names)"""
8312  return _IMP_atom.Selection_set_domains(self, *args)
8313 
8314  def set_molecule(self, *args):
8315  """set_molecule(Selection self, std::string mol)"""
8316  return _IMP_atom.Selection_set_molecule(self, *args)
8317 
8318  def set_chain_id(self, *args):
8319  """set_chain_id(Selection self, std::string c)"""
8320  return _IMP_atom.Selection_set_chain_id(self, *args)
8321 
8322  def set_chain(self, *args):
8323  """set_chain(Selection self, std::string c)"""
8324  return _IMP_atom.Selection_set_chain(self, *args)
8325 
8326  def set_residue_index(self, *args):
8327  """set_residue_index(Selection self, int i)"""
8328  return _IMP_atom.Selection_set_residue_index(self, *args)
8329 
8330  def set_atom_type(self, *args):
8331  """set_atom_type(Selection self, AtomType types)"""
8332  return _IMP_atom.Selection_set_atom_type(self, *args)
8333 
8334  def set_residue_type(self, *args):
8335  """set_residue_type(Selection self, ResidueType type)"""
8336  return _IMP_atom.Selection_set_residue_type(self, *args)
8337 
8338  def set_domain(self, *args):
8339  """set_domain(Selection self, std::string name)"""
8340  return _IMP_atom.Selection_set_domain(self, *args)
8341 
8342  def set_copy_index(self, *args):
8343  """set_copy_index(Selection self, unsigned int copy)"""
8344  return _IMP_atom.Selection_set_copy_index(self, *args)
8345 
8346  def set_copy_indexes(self, *args):
8347  """set_copy_indexes(Selection self, IMP::Ints copies)"""
8348  return _IMP_atom.Selection_set_copy_indexes(self, *args)
8349 
8350  def set_particle_type(self, *args):
8351  """set_particle_type(Selection self, ParticleType t)"""
8352  return _IMP_atom.Selection_set_particle_type(self, *args)
8353 
8354  def set_particle_types(self, *args):
8355  """set_particle_types(Selection self, IMP::core::ParticleTypes t)"""
8356  return _IMP_atom.Selection_set_particle_types(self, *args)
8357 
8358  def set_hierarchy_types(self, *args):
8359  """set_hierarchy_types(Selection self, IMP::Ints types)"""
8360  return _IMP_atom.Selection_set_hierarchy_types(self, *args)
8361 
8362  def set_intersection(self, *args):
8363  """set_intersection(Selection self, Selection s)"""
8364  return _IMP_atom.Selection_set_intersection(self, *args)
8365 
8366  def set_union(self, *args):
8367  """set_union(Selection self, Selection s)"""
8368  return _IMP_atom.Selection_set_union(self, *args)
8369 
8370  def set_symmetric_difference(self, *args):
8371  """set_symmetric_difference(Selection self, Selection s)"""
8372  return _IMP_atom.Selection_set_symmetric_difference(self, *args)
8373 
8374  def set_difference(self, *args):
8375  """set_difference(Selection self, Selection s)"""
8376  return _IMP_atom.Selection_set_difference(self, *args)
8377 
8378  def get_selected_particles(self):
8379  """get_selected_particles(Selection self) -> IMP::kernel::ParticlesTemp"""
8380  return _IMP_atom.Selection_get_selected_particles(self)
8381 
8382  def get_selected_particle_indexes(self):
8383  """get_selected_particle_indexes(Selection self) -> IMP::kernel::ParticleIndexes"""
8384  return _IMP_atom.Selection_get_selected_particle_indexes(self)
8385 
8386  def show(self, *args):
8387  """
8388  show(Selection self, _ostream out=std::cout)
8389  show(Selection self)
8390  """
8391  return _IMP_atom.Selection_show(self, *args)
8392 
8393  def __str__(self):
8394  """__str__(Selection self) -> std::string"""
8395  return _IMP_atom.Selection___str__(self)
8396 
8397  def __repr__(self):
8398  """__repr__(Selection self) -> std::string"""
8399  return _IMP_atom.Selection___repr__(self)
8400 
8401  def __init__(self, hierarchy=None,
8402  hierarchies=None, **params):
8403  if hierarchy and hierarchies:
8404  raise RuntimeError("You can't pass both hierarchy and hierarchies to Selection")
8405  if hierarchy:
8406  this = _IMP_atom.new_Selection(hierarchy)
8407  try: self.this.append(this)
8408  except: self.this = this
8409  else:
8410  this = _IMP_atom.new_Selection(hierarchies)
8411  try: self.this.append(this)
8412  except: self.this = this
8413  for k in params.keys():
8414  eval("self.set_%s(params[k])"%k)
8415 
8416  def union(self, s):
8417  news = self.create_clone()
8418  news.union_update(s)
8419  return news
8420  def intersection(self, s):
8421  news = self.create_clone()
8422  news.intersection_update(s)
8423  return news
8424  def symmetric_difference(self, s):
8425  news = self.create_clone()
8426  news.symmetric_difference_update(s)
8427  return news
8428  def difference(self, s):
8429  news = self.create_clone()
8430  news.difference_update(s)
8431  return news
8432  def union_update(self, s):
8433  self.set_union(s)
8434  return self
8435  def intersection_update(self, s):
8436  self.set_intersection(s)
8437  return self
8438  def symmetric_difference_update(self, s):
8439  self.set_symmetric_difference(s)
8440  return self
8441  def difference_update(self, s):
8442  self.set_difference(s)
8443  return self
8444  __or__ = union
8445  __and__ = intersection
8446  __xor__ = symmetric_difference
8447  __sub__ = difference
8448  __ior__ = union_update
8449  __iand__ = intersection_update
8450  __ixor__ = symmetric_difference_update
8451  __isub__ = difference_update
8452 
8453  __swig_destroy__ = _IMP_atom.delete_Selection
8454  __del__ = lambda self : None;
8455 Selection_swigregister = _IMP_atom.Selection_swigregister
8456 Selection_swigregister(Selection)
8457 
8458 
8459 def create_distance_restraint(*args):
8460  """
8461  create_distance_restraint(Selection n0, Selection n1, double x0, double k, std::string name="Distance%1%") -> Restraint
8462  create_distance_restraint(Selection n0, Selection n1, double x0, double k) -> Restraint
8463  """
8464  return _IMP_atom.create_distance_restraint(*args)
8465 
8467  """
8468  create_connectivity_restraint(IMP::atom::Selections const & s, double k, std::string name="Connectivity%1%") -> Restraint
8469  create_connectivity_restraint(IMP::atom::Selections const & s, double k) -> Restraint
8470  create_connectivity_restraint(IMP::atom::Selections const & s, double x0, double k, std::string name="Connectivity%1%") -> Restraint
8471  create_connectivity_restraint(IMP::atom::Selections const & s, double x0, double k) -> Restraint
8472  """
8473  return _IMP_atom.create_connectivity_restraint(*args)
8474 
8476  """
8477  create_internal_connectivity_restraint(Selection s, double k, std::string name="Connectivity%1%") -> Restraint
8478  create_internal_connectivity_restraint(Selection s, double k) -> Restraint
8479  create_internal_connectivity_restraint(Selection s, double x0, double k, std::string name="Connectivity%1%") -> Restraint
8480  create_internal_connectivity_restraint(Selection s, double x0, double k) -> Restraint
8481  """
8482  return _IMP_atom.create_internal_connectivity_restraint(*args)
8483 
8484 def create_cover(*args):
8485  """
8486  create_cover(Selection s, std::string name=std::string()) -> XYZR
8487  create_cover(Selection s) -> XYZR
8488  """
8489  return _IMP_atom.create_cover(*args)
8490 
8491 def get_mass(*args):
8492  """
8493  get_mass(ResidueType c) -> double
8494  get_mass(Selection s) -> double
8495  """
8496  return _IMP_atom.get_mass(*args)
8497 
8498 def get_volume(*args):
8499  """get_volume(Selection s) -> double"""
8500  return _IMP_atom.get_volume(*args)
8501 
8502 def get_surface_area(*args):
8503  """get_surface_area(Selection s) -> double"""
8504  return _IMP_atom.get_surface_area(*args)
8505 
8506 def get_leaves(*args):
8507  """
8508  get_leaves(Hierarchy h) -> IMP::atom::Hierarchies
8509  get_leaves(IMP::atom::Hierarchies const & h) -> IMP::atom::Hierarchies
8510  get_leaves(Selection h) -> IMP::atom::Hierarchies
8511  """
8512  return _IMP_atom.get_leaves(*args)
8513 class SelectionGeometry(IMP.display.Geometry):
8514  """Proxy of C++ IMP::atom::SelectionGeometry class"""
8515  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8516  def __init__(self, *args):
8517  """
8518  __init__(IMP::atom::SelectionGeometry self, Selection d, std::string name="Selection") -> SelectionGeometry
8519  __init__(IMP::atom::SelectionGeometry self, Selection d) -> SelectionGeometry
8520  """
8521  this = _IMP_atom.new_SelectionGeometry(*args)
8522  try: self.this.append(this)
8523  except: self.this = this
8524  def get_version_info(self):
8525  """get_version_info(SelectionGeometry self) -> VersionInfo"""
8526  return _IMP_atom.SelectionGeometry_get_version_info(self)
8527 
8528  def __str__(self):
8529  """__str__(SelectionGeometry self) -> std::string"""
8530  return _IMP_atom.SelectionGeometry___str__(self)
8531 
8532  def __repr__(self):
8533  """__repr__(SelectionGeometry self) -> std::string"""
8534  return _IMP_atom.SelectionGeometry___repr__(self)
8535 
8536  def get_from(o):
8537  return _object_cast_to_SelectionGeometry(o)
8538  get_from = staticmethod(get_from)
8539 
8540 SelectionGeometry_swigregister = _IMP_atom.SelectionGeometry_swigregister
8541 SelectionGeometry_swigregister(SelectionGeometry)
8542 
8543 
8544 def get_rmsd_transforming_first(*args):
8545  """
8546  get_rmsd_transforming_first(Transformation3D tr, IMP::core::XYZs const & s0, IMP::core::XYZs const & s1) -> double
8547  get_rmsd_transforming_first(Transformation3D tr, Selection s0, Selection s1) -> double
8548  """
8549  return _IMP_atom.get_rmsd_transforming_first(*args)
8550 
8551 def get_rmsd(*args):
8552  """
8553  get_rmsd(IMP::core::XYZs const & s0, IMP::core::XYZs const & s1) -> double
8554  get_rmsd(Selection s0, Selection s1) -> double
8555  get_rmsd(Selection s0, Selection s1, Transformation3D tr_for_second) -> double
8556  get_rmsd(IMP::algebra::Vector3Ds const & s0, IMP::algebra::Vector3Ds const & s1, Transformation3D tr_for_second) -> double
8557  get_rmsd(IMP::core::XYZs const & s0, IMP::core::XYZs const & s1, Transformation3D tr_for_second) -> double
8558  """
8559  return _IMP_atom.get_rmsd(*args)
8560 
8561 def get_placement_score(*args):
8562  """get_placement_score(IMP::core::XYZs const & source, IMP::core::XYZs const & target) -> IMP::FloatPair"""
8563  return _IMP_atom.get_placement_score(*args)
8564 
8566  """
8567  get_component_placement_score(IMP::core::XYZs const & ref1, IMP::core::XYZs const & ref2, IMP::core::XYZs const & mdl1,
8568  IMP::core::XYZs const & mdl2) -> IMP::FloatPair
8569  """
8570  return _IMP_atom.get_component_placement_score(*args)
8571 
8572 def get_pairwise_rmsd_score(*args):
8573  """
8574  get_pairwise_rmsd_score(IMP::core::XYZs const & ref1, IMP::core::XYZs const & ref2, IMP::core::XYZs const & mdl1,
8575  IMP::core::XYZs const & mdl2) -> double
8576  """
8577  return _IMP_atom.get_pairwise_rmsd_score(*args)
8578 
8579 def get_radius_of_gyration(*args):
8580  """
8581  get_radius_of_gyration(Selection s) -> double
8582  get_radius_of_gyration(IMP::kernel::ParticlesTemp const & ps) -> double
8583  """
8584  return _IMP_atom.get_radius_of_gyration(*args)
8585 class ForceFieldParameters(IMP.base.Object):
8586  """Proxy of C++ IMP::atom::ForceFieldParameters class"""
8587  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8588  def __init__(self):
8589  """__init__(IMP::atom::ForceFieldParameters self) -> ForceFieldParameters"""
8590  this = _IMP_atom.new_ForceFieldParameters()
8591  try: self.this.append(this)
8592  except: self.this = this
8593  def get_radius(self, *args):
8594  """get_radius(ForceFieldParameters self, Atom atom) -> IMP::Float"""
8595  return _IMP_atom.ForceFieldParameters_get_radius(self, *args)
8596 
8597  def get_epsilon(self, *args):
8598  """get_epsilon(ForceFieldParameters self, Atom atom) -> IMP::Float"""
8599  return _IMP_atom.ForceFieldParameters_get_epsilon(self, *args)
8600 
8601  def add_radii(self, *args):
8602  """
8603  add_radii(ForceFieldParameters self, Hierarchy mhd, double scale=1.0, FloatKey radius_key=FloatKey("radius"))
8604  add_radii(ForceFieldParameters self, Hierarchy mhd, double scale=1.0)
8605  add_radii(ForceFieldParameters self, Hierarchy mhd)
8606  """
8607  return _IMP_atom.ForceFieldParameters_add_radii(self, *args)
8608 
8609  def add_well_depths(self, *args):
8610  """add_well_depths(ForceFieldParameters self, Hierarchy mhd)"""
8611  return _IMP_atom.ForceFieldParameters_add_well_depths(self, *args)
8612 
8613  def add_bonds(self, *args):
8614  """add_bonds(ForceFieldParameters self, Hierarchy mhd)"""
8615  return _IMP_atom.ForceFieldParameters_add_bonds(self, *args)
8616 
8617  __swig_destroy__ = _IMP_atom.delete_ForceFieldParameters
8618  __del__ = lambda self : None;
8619  def __str__(self):
8620  """__str__(ForceFieldParameters self) -> std::string"""
8621  return _IMP_atom.ForceFieldParameters___str__(self)
8622 
8623  def __repr__(self):
8624  """__repr__(ForceFieldParameters self) -> std::string"""
8625  return _IMP_atom.ForceFieldParameters___repr__(self)
8626 
8627  def get_from(o):
8628  return _object_cast_to_ForceFieldParameters(o)
8629  get_from = staticmethod(get_from)
8630 
8631 ForceFieldParameters_swigregister = _IMP_atom.ForceFieldParameters_swigregister
8632 ForceFieldParameters_swigregister(ForceFieldParameters)
8633 
8634 class CHARMMAtomTopology(object):
8635  """Proxy of C++ IMP::atom::CHARMMAtomTopology class"""
8636  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8637  def __init__(self, *args):
8638  """
8639  __init__(IMP::atom::CHARMMAtomTopology self, std::string name) -> CHARMMAtomTopology
8640  __init__(IMP::atom::CHARMMAtomTopology self, std::string name, CHARMMAtomTopology other) -> CHARMMAtomTopology
8641  """
8642  this = _IMP_atom.new_CHARMMAtomTopology(*args)
8643  try: self.this.append(this)
8644  except: self.this = this
8645  def get_name(self):
8646  """get_name(CHARMMAtomTopology self) -> std::string"""
8647  return _IMP_atom.CHARMMAtomTopology_get_name(self)
8648 
8649  def get_charmm_type(self):
8650  """get_charmm_type(CHARMMAtomTopology self) -> std::string"""
8651  return _IMP_atom.CHARMMAtomTopology_get_charmm_type(self)
8652 
8653  def get_charge(self):
8654  """get_charge(CHARMMAtomTopology self) -> double"""
8655  return _IMP_atom.CHARMMAtomTopology_get_charge(self)
8656 
8657  def set_charmm_type(self, *args):
8658  """set_charmm_type(CHARMMAtomTopology self, std::string charmm_type)"""
8659  return _IMP_atom.CHARMMAtomTopology_set_charmm_type(self, *args)
8660 
8661  def set_charge(self, *args):
8662  """set_charge(CHARMMAtomTopology self, double charge)"""
8663  return _IMP_atom.CHARMMAtomTopology_set_charge(self, *args)
8664 
8665  def show(self, *args):
8666  """
8667  show(CHARMMAtomTopology self, _ostream out=std::cout)
8668  show(CHARMMAtomTopology self)
8669  """
8670  return _IMP_atom.CHARMMAtomTopology_show(self, *args)
8671 
8672  def __str__(self):
8673  """__str__(CHARMMAtomTopology self) -> std::string"""
8674  return _IMP_atom.CHARMMAtomTopology___str__(self)
8675 
8676  def __repr__(self):
8677  """__repr__(CHARMMAtomTopology self) -> std::string"""
8678  return _IMP_atom.CHARMMAtomTopology___repr__(self)
8679 
8680  __swig_destroy__ = _IMP_atom.delete_CHARMMAtomTopology
8681  __del__ = lambda self : None;
8682 CHARMMAtomTopology_swigregister = _IMP_atom.CHARMMAtomTopology_swigregister
8683 CHARMMAtomTopology_swigregister(CHARMMAtomTopology)
8684 
8685 class CHARMMBondEndpoint(object):
8686  """Proxy of C++ IMP::atom::CHARMMBondEndpoint class"""
8687  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8688  def __init__(self, *args):
8689  """
8690  __init__(IMP::atom::CHARMMBondEndpoint self, std::string atom_name, CHARMMResidueTopology residue=None) -> CHARMMBondEndpoint
8691  __init__(IMP::atom::CHARMMBondEndpoint self, std::string atom_name) -> CHARMMBondEndpoint
8692  """
8693  this = _IMP_atom.new_CHARMMBondEndpoint(*args)
8694  try: self.this.append(this)
8695  except: self.this = this
8696  def get_atom_name(self):
8697  """get_atom_name(CHARMMBondEndpoint self) -> std::string"""
8698  return _IMP_atom.CHARMMBondEndpoint_get_atom_name(self)
8699 
8700  def get_atom(self, *args):
8701  """
8702  get_atom(CHARMMBondEndpoint self, CHARMMResidueTopology current_residue, CHARMMResidueTopology previous_residue, CHARMMResidueTopology next_residue,
8703  std::map< IMP::atom::CHARMMResidueTopology const *,IMP::atom::Hierarchy > const & resmap) -> Atom
8704  """
8705  return _IMP_atom.CHARMMBondEndpoint_get_atom(self, *args)
8706 
8707  def show(self, *args):
8708  """
8709  show(CHARMMBondEndpoint self, _ostream out=std::cout)
8710  show(CHARMMBondEndpoint self)
8711  """
8712  return _IMP_atom.CHARMMBondEndpoint_show(self, *args)
8713 
8714  def __str__(self):
8715  """__str__(CHARMMBondEndpoint self) -> std::string"""
8716  return _IMP_atom.CHARMMBondEndpoint___str__(self)
8717 
8718  def __repr__(self):
8719  """__repr__(CHARMMBondEndpoint self) -> std::string"""
8720  return _IMP_atom.CHARMMBondEndpoint___repr__(self)
8721 
8722  __swig_destroy__ = _IMP_atom.delete_CHARMMBondEndpoint
8723  __del__ = lambda self : None;
8724 CHARMMBondEndpoint_swigregister = _IMP_atom.CHARMMBondEndpoint_swigregister
8725 CHARMMBondEndpoint_swigregister(CHARMMBondEndpoint)
8726 
8727 class CHARMMDihedral(object):
8728  """Proxy of C++ IMP::atom::CHARMMConnection<(4)> class"""
8729  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8730  __repr__ = _swig_repr
8731  def __init__(self, *args):
8732  """__init__(IMP::atom::CHARMMConnection<(4)> self, IMP::Strings const & atoms) -> CHARMMDihedral"""
8733  this = _IMP_atom.new_CHARMMDihedral(*args)
8734  try: self.this.append(this)
8735  except: self.this = this
8736  def get_endpoint(self, *args):
8737  """get_endpoint(CHARMMDihedral self, unsigned int i) -> CHARMMBondEndpoint"""
8738  return _IMP_atom.CHARMMDihedral_get_endpoint(self, *args)
8739 
8740  def get_contains_atom(self, *args):
8741  """get_contains_atom(CHARMMDihedral self, std::string name) -> bool"""
8742  return _IMP_atom.CHARMMDihedral_get_contains_atom(self, *args)
8743 
8744  def show(self, *args):
8745  """
8746  show(CHARMMDihedral self, _ostream out=std::cout)
8747  show(CHARMMDihedral self)
8748  """
8749  return _IMP_atom.CHARMMDihedral_show(self, *args)
8750 
8751  __swig_destroy__ = _IMP_atom.delete_CHARMMDihedral
8752  __del__ = lambda self : None;
8753 CHARMMDihedral_swigregister = _IMP_atom.CHARMMDihedral_swigregister
8754 CHARMMDihedral_swigregister(CHARMMDihedral)
8755 
8756 class CHARMMInternalCoordinate(CHARMMDihedral):
8757  """Proxy of C++ IMP::atom::CHARMMInternalCoordinate class"""
8758  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8759  def __init__(self, *args):
8760  """
8761  __init__(IMP::atom::CHARMMInternalCoordinate self, IMP::Strings const & atoms, float first_distance, float first_angle, float dihedral,
8762  float second_angle, float second_distance, bool improper) -> CHARMMInternalCoordinate
8763  __init__(IMP::atom::CHARMMInternalCoordinate self, IMP::base::Vector< IMP::atom::CHARMMBondEndpoint > const endpoints, float first_distance,
8764  float first_angle, float dihedral, float second_angle, float second_distance,
8765  bool improper) -> CHARMMInternalCoordinate
8766  """
8767  this = _IMP_atom.new_CHARMMInternalCoordinate(*args)
8768  try: self.this.append(this)
8769  except: self.this = this
8770  def get_first_distance(self):
8771  """get_first_distance(CHARMMInternalCoordinate self) -> float"""
8772  return _IMP_atom.CHARMMInternalCoordinate_get_first_distance(self)
8773 
8774  def get_second_distance(self):
8775  """get_second_distance(CHARMMInternalCoordinate self) -> float"""
8776  return _IMP_atom.CHARMMInternalCoordinate_get_second_distance(self)
8777 
8778  def get_first_angle(self):
8779  """get_first_angle(CHARMMInternalCoordinate self) -> float"""
8780  return _IMP_atom.CHARMMInternalCoordinate_get_first_angle(self)
8781 
8782  def get_second_angle(self):
8783  """get_second_angle(CHARMMInternalCoordinate self) -> float"""
8784  return _IMP_atom.CHARMMInternalCoordinate_get_second_angle(self)
8785 
8786  def get_dihedral(self):
8787  """get_dihedral(CHARMMInternalCoordinate self) -> float"""
8788  return _IMP_atom.CHARMMInternalCoordinate_get_dihedral(self)
8789 
8790  def get_improper(self):
8791  """get_improper(CHARMMInternalCoordinate self) -> bool"""
8792  return _IMP_atom.CHARMMInternalCoordinate_get_improper(self)
8793 
8794  def show(self, *args):
8795  """
8796  show(CHARMMInternalCoordinate self, _ostream out=std::cout)
8797  show(CHARMMInternalCoordinate self)
8798  """
8799  return _IMP_atom.CHARMMInternalCoordinate_show(self, *args)
8800 
8801  def __str__(self):
8802  """__str__(CHARMMInternalCoordinate self) -> std::string"""
8803  return _IMP_atom.CHARMMInternalCoordinate___str__(self)
8804 
8805  def __repr__(self):
8806  """__repr__(CHARMMInternalCoordinate self) -> std::string"""
8807  return _IMP_atom.CHARMMInternalCoordinate___repr__(self)
8808 
8809  __swig_destroy__ = _IMP_atom.delete_CHARMMInternalCoordinate
8810  __del__ = lambda self : None;
8811 CHARMMInternalCoordinate_swigregister = _IMP_atom.CHARMMInternalCoordinate_swigregister
8812 CHARMMInternalCoordinate_swigregister(CHARMMInternalCoordinate)
8813 
8814 class CHARMMResidueTopologyBase(IMP.base.Object):
8815  """Proxy of C++ IMP::atom::CHARMMResidueTopologyBase class"""
8816  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8817  def __init__(self, *args, **kwargs): raise AttributeError("No constructor defined")
8818  def get_type(self):
8819  """get_type(CHARMMResidueTopologyBase self) -> std::string"""
8820  return _IMP_atom.CHARMMResidueTopologyBase_get_type(self)
8821 
8822  def get_number_of_atoms(self):
8823  """get_number_of_atoms(CHARMMResidueTopologyBase self) -> unsigned int"""
8824  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_atoms(self)
8825 
8826  def add_atom(self, *args):
8827  """add_atom(CHARMMResidueTopologyBase self, CHARMMAtomTopology atom)"""
8828  return _IMP_atom.CHARMMResidueTopologyBase_add_atom(self, *args)
8829 
8830  def get_atom(self, *args):
8831  """
8832  get_atom(CHARMMResidueTopologyBase self, unsigned int i) -> CHARMMAtomTopology
8833  get_atom(CHARMMResidueTopologyBase self, AtomType type) -> CHARMMAtomTopology
8834  get_atom(CHARMMResidueTopologyBase self, std::string name) -> CHARMMAtomTopology
8835  """
8836  return _IMP_atom.CHARMMResidueTopologyBase_get_atom(self, *args)
8837 
8838  def get_number_of_bonds(self):
8839  """get_number_of_bonds(CHARMMResidueTopologyBase self) -> unsigned int"""
8840  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_bonds(self)
8841 
8842  def add_bond(self, *args):
8843  """add_bond(CHARMMResidueTopologyBase self, IMP::atom::CHARMMBond const & bond)"""
8844  return _IMP_atom.CHARMMResidueTopologyBase_add_bond(self, *args)
8845 
8846  def get_number_of_angles(self):
8847  """get_number_of_angles(CHARMMResidueTopologyBase self) -> unsigned int"""
8848  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_angles(self)
8849 
8850  def add_angle(self, *args):
8851  """add_angle(CHARMMResidueTopologyBase self, IMP::atom::CHARMMAngle const & bond)"""
8852  return _IMP_atom.CHARMMResidueTopologyBase_add_angle(self, *args)
8853 
8854  def get_number_of_dihedrals(self):
8855  """get_number_of_dihedrals(CHARMMResidueTopologyBase self) -> unsigned int"""
8856  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_dihedrals(self)
8857 
8858  def add_dihedral(self, *args):
8859  """add_dihedral(CHARMMResidueTopologyBase self, CHARMMDihedral bond)"""
8860  return _IMP_atom.CHARMMResidueTopologyBase_add_dihedral(self, *args)
8861 
8862  def get_number_of_impropers(self):
8863  """get_number_of_impropers(CHARMMResidueTopologyBase self) -> unsigned int"""
8864  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_impropers(self)
8865 
8866  def add_improper(self, *args):
8867  """add_improper(CHARMMResidueTopologyBase self, CHARMMDihedral bond)"""
8868  return _IMP_atom.CHARMMResidueTopologyBase_add_improper(self, *args)
8869 
8870  def get_number_of_internal_coordinates(self):
8871  """get_number_of_internal_coordinates(CHARMMResidueTopologyBase self) -> unsigned int"""
8872  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_internal_coordinates(self)
8873 
8874  def add_internal_coordinate(self, *args):
8875  """add_internal_coordinate(CHARMMResidueTopologyBase self, CHARMMInternalCoordinate ic)"""
8876  return _IMP_atom.CHARMMResidueTopologyBase_add_internal_coordinate(self, *args)
8877 
8878  def get_internal_coordinate(self, *args):
8879  """get_internal_coordinate(CHARMMResidueTopologyBase self, unsigned int index) -> CHARMMInternalCoordinate"""
8880  return _IMP_atom.CHARMMResidueTopologyBase_get_internal_coordinate(self, *args)
8881 
8882  def get_bond(self, *args):
8883  """get_bond(CHARMMResidueTopologyBase self, unsigned int index) -> IMP::atom::CHARMMBond const &"""
8884  return _IMP_atom.CHARMMResidueTopologyBase_get_bond(self, *args)
8885 
8886  def get_angle(self, *args):
8887  """get_angle(CHARMMResidueTopologyBase self, unsigned int index) -> IMP::atom::CHARMMAngle const &"""
8888  return _IMP_atom.CHARMMResidueTopologyBase_get_angle(self, *args)
8889 
8890  def get_dihedral(self, *args):
8891  """get_dihedral(CHARMMResidueTopologyBase self, unsigned int index) -> CHARMMDihedral"""
8892  return _IMP_atom.CHARMMResidueTopologyBase_get_dihedral(self, *args)
8893 
8894  def get_improper(self, *args):
8895  """get_improper(CHARMMResidueTopologyBase self, unsigned int index) -> CHARMMDihedral"""
8896  return _IMP_atom.CHARMMResidueTopologyBase_get_improper(self, *args)
8897 
8898  def get_version_info(self):
8899  """get_version_info(CHARMMResidueTopologyBase self) -> VersionInfo"""
8900  return _IMP_atom.CHARMMResidueTopologyBase_get_version_info(self)
8901 
8902  def __str__(self):
8903  """__str__(CHARMMResidueTopologyBase self) -> std::string"""
8904  return _IMP_atom.CHARMMResidueTopologyBase___str__(self)
8905 
8906  def __repr__(self):
8907  """__repr__(CHARMMResidueTopologyBase self) -> std::string"""
8908  return _IMP_atom.CHARMMResidueTopologyBase___repr__(self)
8909 
8910  def get_from(o):
8911  return _object_cast_to_CHARMMResidueTopologyBase(o)
8912  get_from = staticmethod(get_from)
8913 
8914 CHARMMResidueTopologyBase_swigregister = _IMP_atom.CHARMMResidueTopologyBase_swigregister
8915 CHARMMResidueTopologyBase_swigregister(CHARMMResidueTopologyBase)
8916 
8917 class CHARMMIdealResidueTopology(CHARMMResidueTopologyBase):
8918  """Proxy of C++ IMP::atom::CHARMMIdealResidueTopology class"""
8919  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8920  def __init__(self, *args):
8921  """
8922  __init__(IMP::atom::CHARMMIdealResidueTopology self, std::string type) -> CHARMMIdealResidueTopology
8923  __init__(IMP::atom::CHARMMIdealResidueTopology self, ResidueType type) -> CHARMMIdealResidueTopology
8924  """
8925  this = _IMP_atom.new_CHARMMIdealResidueTopology(*args)
8926  try: self.this.append(this)
8927  except: self.this = this
8928  def remove_atom(self, *args):
8929  """remove_atom(CHARMMIdealResidueTopology self, std::string name)"""
8930  return _IMP_atom.CHARMMIdealResidueTopology_remove_atom(self, *args)
8931 
8932  def set_default_first_patch(self, *args):
8933  """set_default_first_patch(CHARMMIdealResidueTopology self, std::string patch)"""
8934  return _IMP_atom.CHARMMIdealResidueTopology_set_default_first_patch(self, *args)
8935 
8936  def set_default_last_patch(self, *args):
8937  """set_default_last_patch(CHARMMIdealResidueTopology self, std::string patch)"""
8938  return _IMP_atom.CHARMMIdealResidueTopology_set_default_last_patch(self, *args)
8939 
8940  def get_default_first_patch(self):
8941  """get_default_first_patch(CHARMMIdealResidueTopology self) -> std::string"""
8942  return _IMP_atom.CHARMMIdealResidueTopology_get_default_first_patch(self)
8943 
8944  def get_default_last_patch(self):
8945  """get_default_last_patch(CHARMMIdealResidueTopology self) -> std::string"""
8946  return _IMP_atom.CHARMMIdealResidueTopology_get_default_last_patch(self)
8947 
8948  def __str__(self):
8949  """__str__(CHARMMIdealResidueTopology self) -> std::string"""
8950  return _IMP_atom.CHARMMIdealResidueTopology___str__(self)
8951 
8952  def __repr__(self):
8953  """__repr__(CHARMMIdealResidueTopology self) -> std::string"""
8954  return _IMP_atom.CHARMMIdealResidueTopology___repr__(self)
8955 
8956  def get_from(o):
8957  return _object_cast_to_CHARMMIdealResidueTopology(o)
8958  get_from = staticmethod(get_from)
8959 
8960 CHARMMIdealResidueTopology_swigregister = _IMP_atom.CHARMMIdealResidueTopology_swigregister
8961 CHARMMIdealResidueTopology_swigregister(CHARMMIdealResidueTopology)
8962 
8963 class CHARMMPatch(CHARMMResidueTopologyBase):
8964  """Proxy of C++ IMP::atom::CHARMMPatch class"""
8965  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8966  def __init__(self, *args):
8967  """__init__(IMP::atom::CHARMMPatch self, std::string type) -> CHARMMPatch"""
8968  this = _IMP_atom.new_CHARMMPatch(*args)
8969  try: self.this.append(this)
8970  except: self.this = this
8971  def add_removed_atom(self, *args):
8972  """add_removed_atom(CHARMMPatch self, std::string name)"""
8973  return _IMP_atom.CHARMMPatch_add_removed_atom(self, *args)
8974 
8975  def get_number_of_removed_atoms(self):
8976  """get_number_of_removed_atoms(CHARMMPatch self) -> unsigned int"""
8977  return _IMP_atom.CHARMMPatch_get_number_of_removed_atoms(self)
8978 
8979  def get_removed_atom(self, *args):
8980  """get_removed_atom(CHARMMPatch self, unsigned int i) -> std::string"""
8981  return _IMP_atom.CHARMMPatch_get_removed_atom(self, *args)
8982 
8983  def apply(self, *args):
8984  """
8985  apply(CHARMMPatch self, CHARMMResidueTopology res)
8986  apply(CHARMMPatch self, CHARMMResidueTopology res1, CHARMMResidueTopology res2)
8987  """
8988  return _IMP_atom.CHARMMPatch_apply(self, *args)
8989 
8990  def __str__(self):
8991  """__str__(CHARMMPatch self) -> std::string"""
8992  return _IMP_atom.CHARMMPatch___str__(self)
8993 
8994  def __repr__(self):
8995  """__repr__(CHARMMPatch self) -> std::string"""
8996  return _IMP_atom.CHARMMPatch___repr__(self)
8997 
8998  def get_from(o):
8999  return _object_cast_to_CHARMMPatch(o)
9000  get_from = staticmethod(get_from)
9001 
9002 CHARMMPatch_swigregister = _IMP_atom.CHARMMPatch_swigregister
9003 CHARMMPatch_swigregister(CHARMMPatch)
9004 
9005 class CHARMMResidueTopology(CHARMMIdealResidueTopology):
9006  """Proxy of C++ IMP::atom::CHARMMResidueTopology class"""
9007  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
9008  def __init__(self, *args):
9009  """
9010  __init__(IMP::atom::CHARMMResidueTopology self, ResidueType type) -> CHARMMResidueTopology
9011  __init__(IMP::atom::CHARMMResidueTopology self, CHARMMIdealResidueTopology ideal) -> CHARMMResidueTopology
9012  """
9013  this = _IMP_atom.new_CHARMMResidueTopology(*args)
9014  try: self.this.append(this)
9015  except: self.this = this
9016  def get_patched(self):
9017  """get_patched(CHARMMResidueTopology self) -> bool"""
9018  return _IMP_atom.CHARMMResidueTopology_get_patched(self)
9019 
9020  def set_patched(self, *args):
9021  """set_patched(CHARMMResidueTopology self, bool patched)"""
9022  return _IMP_atom.CHARMMResidueTopology_set_patched(self, *args)
9023 
9024  def __str__(self):
9025  """__str__(CHARMMResidueTopology self) -> std::string"""
9026  return _IMP_atom.CHARMMResidueTopology___str__(self)
9027 
9028  def __repr__(self):
9029  """__repr__(CHARMMResidueTopology self) -> std::string"""
9030  return _IMP_atom.CHARMMResidueTopology___repr__(self)
9031 
9032  def get_from(o):
9033  return _object_cast_to_CHARMMResidueTopology(o)
9034  get_from = staticmethod(get_from)
9035 
9036 CHARMMResidueTopology_swigregister = _IMP_atom.CHARMMResidueTopology_swigregister
9037 CHARMMResidueTopology_swigregister(CHARMMResidueTopology)
9038 
9039 class CHARMMAtom(Atom):
9040  """Proxy of C++ IMP::atom::CHARMMAtom class"""
9041  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
9042  def __init__(self, *args):
9043  """
9044  __init__(IMP::atom::CHARMMAtom self) -> CHARMMAtom
9045  __init__(IMP::atom::CHARMMAtom self, Model m, ::IMP::kernel::ParticleIndex id) -> CHARMMAtom
9046  __init__(IMP::atom::CHARMMAtom self, _ParticleAdaptor d) -> CHARMMAtom
9047  """
9048  this = _IMP_atom.new_CHARMMAtom(*args)
9049  try: self.this.append(this)
9050  except: self.this = this
9051  def show(self, *args):
9052  """
9053  show(CHARMMAtom self, _ostream out=std::cout)
9054  show(CHARMMAtom self)
9055  """
9056  return _IMP_atom.CHARMMAtom_show(self, *args)
9057 
9058  def setup_particle(*args):
9059  """
9060  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::String charmm_type) -> CHARMMAtom
9061  setup_particle(_ParticleAdaptor decorator, IMP::String charmm_type) -> CHARMMAtom
9062  """
9063  return _IMP_atom.CHARMMAtom_setup_particle(*args)
9064 
9065  setup_particle = staticmethod(setup_particle)
9066  def get_charmm_type(self):
9067  """get_charmm_type(CHARMMAtom self) -> IMP::String"""
9068  return _IMP_atom.CHARMMAtom_get_charmm_type(self)
9069 
9070  def set_charmm_type(self, *args):
9071  """set_charmm_type(CHARMMAtom self, IMP::String t)"""
9072  return _IMP_atom.CHARMMAtom_set_charmm_type(self, *args)
9073 
9074  def get_is_setup(*args):
9075  """
9076  get_is_setup(_ParticleAdaptor p) -> bool
9077  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
9078  """
9079  return _IMP_atom.CHARMMAtom_get_is_setup(*args)
9080 
9081  get_is_setup = staticmethod(get_is_setup)
9082  def get_charmm_type_key():
9083  """get_charmm_type_key() -> StringKey"""
9084  return _IMP_atom.CHARMMAtom_get_charmm_type_key()
9085 
9086  get_charmm_type_key = staticmethod(get_charmm_type_key)
9087  def add_attribute(self, *args):
9088  """
9089  add_attribute(CHARMMAtom self, FloatKey k, IMP::Float v, bool opt)
9090  add_attribute(CHARMMAtom self, FloatKey a0, IMP::Float a1)
9091  add_attribute(CHARMMAtom self, IntKey a0, IMP::Int a1)
9092  add_attribute(CHARMMAtom self, StringKey a0, IMP::String a1)
9093  add_attribute(CHARMMAtom self, ParticleIndexKey a0, Particle a1)
9094  add_attribute(CHARMMAtom self, ObjectKey a0, Object a1)
9095  """
9096  return _IMP_atom.CHARMMAtom_add_attribute(self, *args)
9097 
9098  def get_value(self, *args):
9099  """
9100  get_value(CHARMMAtom self, FloatKey a0) -> IMP::Float
9101  get_value(CHARMMAtom self, IntKey a0) -> IMP::Int
9102  get_value(CHARMMAtom self, StringKey a0) -> IMP::String
9103  get_value(CHARMMAtom self, ParticleIndexKey a0) -> Particle
9104  get_value(CHARMMAtom self, ObjectKey a0) -> Object
9105  """
9106  return _IMP_atom.CHARMMAtom_get_value(self, *args)
9107 
9108  def set_value(self, *args):
9109  """
9110  set_value(CHARMMAtom self, FloatKey a0, IMP::Float a1)
9111  set_value(CHARMMAtom self, IntKey a0, IMP::Int a1)
9112  set_value(CHARMMAtom self, StringKey a0, IMP::String a1)
9113  set_value(CHARMMAtom self, ParticleIndexKey a0, Particle a1)
9114  set_value(CHARMMAtom self, ObjectKey a0, Object a1)
9115  """
9116  return _IMP_atom.CHARMMAtom_set_value(self, *args)
9117 
9118  def remove_attribute(self, *args):
9119  """
9120  remove_attribute(CHARMMAtom self, FloatKey a0)
9121  remove_attribute(CHARMMAtom self, IntKey a0)
9122  remove_attribute(CHARMMAtom self, StringKey a0)
9123  remove_attribute(CHARMMAtom self, ParticleIndexKey a0)
9124  remove_attribute(CHARMMAtom self, ObjectKey a0)
9125  """
9126  return _IMP_atom.CHARMMAtom_remove_attribute(self, *args)
9127 
9128  def has_attribute(self, *args):
9129  """
9130  has_attribute(CHARMMAtom self, FloatKey a0) -> bool
9131  has_attribute(CHARMMAtom self, IntKey a0) -> bool
9132  has_attribute(CHARMMAtom self, StringKey a0) -> bool
9133  has_attribute(CHARMMAtom self, ParticleIndexKey a0) -> bool
9134  has_attribute(CHARMMAtom self, ObjectKey a0) -> bool
9135  """
9136  return _IMP_atom.CHARMMAtom_has_attribute(self, *args)
9137 
9138  def get_derivative(self, *args):
9139  """get_derivative(CHARMMAtom self, FloatKey a0) -> double"""
9140  return _IMP_atom.CHARMMAtom_get_derivative(self, *args)
9141 
9142  def get_name(self):
9143  """get_name(CHARMMAtom self) -> std::string"""
9144  return _IMP_atom.CHARMMAtom_get_name(self)
9145 
9146  def clear_caches(self):
9147  """clear_caches(CHARMMAtom self)"""
9148  return _IMP_atom.CHARMMAtom_clear_caches(self)
9149 
9150  def set_name(self, *args):
9151  """set_name(CHARMMAtom self, std::string a0)"""
9152  return _IMP_atom.CHARMMAtom_set_name(self, *args)
9153 
9154  def set_check_level(self, *args):
9155  """set_check_level(CHARMMAtom self, IMP::base::CheckLevel a0)"""
9156  return _IMP_atom.CHARMMAtom_set_check_level(self, *args)
9157 
9158  def add_to_derivative(self, *args):
9159  """add_to_derivative(CHARMMAtom self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9160  return _IMP_atom.CHARMMAtom_add_to_derivative(self, *args)
9161 
9162  def set_is_optimized(self, *args):
9163  """set_is_optimized(CHARMMAtom self, FloatKey a0, bool a1)"""
9164  return _IMP_atom.CHARMMAtom_set_is_optimized(self, *args)
9165 
9166  def get_is_optimized(self, *args):
9167  """get_is_optimized(CHARMMAtom self, FloatKey a0) -> bool"""
9168  return _IMP_atom.CHARMMAtom_get_is_optimized(self, *args)
9169 
9170  def get_check_level(self):
9171  """get_check_level(CHARMMAtom self) -> IMP::base::CheckLevel"""
9172  return _IMP_atom.CHARMMAtom_get_check_level(self)
9173 
9174  def __eq__(self, *args):
9175  """
9176  __eq__(CHARMMAtom self, CHARMMAtom o) -> bool
9177  __eq__(CHARMMAtom self, Particle d) -> bool
9178  """
9179  return _IMP_atom.CHARMMAtom___eq__(self, *args)
9180 
9181  def __ne__(self, *args):
9182  """
9183  __ne__(CHARMMAtom self, CHARMMAtom o) -> bool
9184  __ne__(CHARMMAtom self, Particle d) -> bool
9185  """
9186  return _IMP_atom.CHARMMAtom___ne__(self, *args)
9187 
9188  def __le__(self, *args):
9189  """
9190  __le__(CHARMMAtom self, CHARMMAtom o) -> bool
9191  __le__(CHARMMAtom self, Particle d) -> bool
9192  """
9193  return _IMP_atom.CHARMMAtom___le__(self, *args)
9194 
9195  def __lt__(self, *args):
9196  """
9197  __lt__(CHARMMAtom self, CHARMMAtom o) -> bool
9198  __lt__(CHARMMAtom self, Particle d) -> bool
9199  """
9200  return _IMP_atom.CHARMMAtom___lt__(self, *args)
9201 
9202  def __ge__(self, *args):
9203  """
9204  __ge__(CHARMMAtom self, CHARMMAtom o) -> bool
9205  __ge__(CHARMMAtom self, Particle d) -> bool
9206  """
9207  return _IMP_atom.CHARMMAtom___ge__(self, *args)
9208 
9209  def __gt__(self, *args):
9210  """
9211  __gt__(CHARMMAtom self, CHARMMAtom o) -> bool
9212  __gt__(CHARMMAtom self, Particle d) -> bool
9213  """
9214  return _IMP_atom.CHARMMAtom___gt__(self, *args)
9215 
9216  def __hash__(self):
9217  """__hash__(CHARMMAtom self) -> std::size_t"""
9218  return _IMP_atom.CHARMMAtom___hash__(self)
9219 
9220  def __str__(self):
9221  """__str__(CHARMMAtom self) -> std::string"""
9222  return _IMP_atom.CHARMMAtom___str__(self)
9223 
9224  def __repr__(self):
9225  """__repr__(CHARMMAtom self) -> std::string"""
9226  return _IMP_atom.CHARMMAtom___repr__(self)
9227 
9228  __swig_destroy__ = _IMP_atom.delete_CHARMMAtom
9229  __del__ = lambda self : None;
9230 CHARMMAtom_swigregister = _IMP_atom.CHARMMAtom_swigregister
9231 CHARMMAtom_swigregister(CHARMMAtom)
9232 
9233 def CHARMMAtom_setup_particle(*args):
9234  """
9235  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::String charmm_type) -> CHARMMAtom
9236  CHARMMAtom_setup_particle(_ParticleAdaptor decorator, IMP::String charmm_type) -> CHARMMAtom
9237  """
9238  return _IMP_atom.CHARMMAtom_setup_particle(*args)
9239 
9240 def CHARMMAtom_get_is_setup(*args):
9241  """
9242  get_is_setup(_ParticleAdaptor p) -> bool
9243  CHARMMAtom_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
9244  """
9245  return _IMP_atom.CHARMMAtom_get_is_setup(*args)
9246 
9247 def CHARMMAtom_get_charmm_type_key():
9248  """CHARMMAtom_get_charmm_type_key() -> StringKey"""
9249  return _IMP_atom.CHARMMAtom_get_charmm_type_key()
9250 
9251 
9252 def get_charmm_untyped_atoms(*args):
9253  """get_charmm_untyped_atoms(Hierarchy hierarchy) -> IMP::atom::Atoms"""
9254  return _IMP_atom.get_charmm_untyped_atoms(*args)
9255 
9256 def remove_charmm_untyped_atoms(*args):
9257  """remove_charmm_untyped_atoms(Hierarchy hierarchy)"""
9258  return _IMP_atom.remove_charmm_untyped_atoms(*args)
9259 class CHARMMBondParameters(object):
9260  """Proxy of C++ IMP::atom::CHARMMBondParameters class"""
9261  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
9262  force_constant = _swig_property(_IMP_atom.CHARMMBondParameters_force_constant_get, _IMP_atom.CHARMMBondParameters_force_constant_set)
9263  ideal = _swig_property(_IMP_atom.CHARMMBondParameters_ideal_get, _IMP_atom.CHARMMBondParameters_ideal_set)
9264  def __init__(self):
9265  """__init__(IMP::atom::CHARMMBondParameters self) -> CHARMMBondParameters"""
9266  this = _IMP_atom.new_CHARMMBondParameters()
9267  try: self.this.append(this)
9268  except: self.this = this
9269  def show(self, *args):
9270  """
9271  show(CHARMMBondParameters self, _ostream out=std::cout)
9272  show(CHARMMBondParameters self)
9273  """
9274  return _IMP_atom.CHARMMBondParameters_show(self, *args)
9275 
9276  def __str__(self):
9277  """__str__(CHARMMBondParameters self) -> std::string"""
9278  return _IMP_atom.CHARMMBondParameters___str__(self)
9279 
9280  def __repr__(self):
9281  """__repr__(CHARMMBondParameters self) -> std::string"""
9282  return _IMP_atom.CHARMMBondParameters___repr__(self)
9283 
9284  __swig_destroy__ = _IMP_atom.delete_CHARMMBondParameters
9285  __del__ = lambda self : None;
9286 CHARMMBondParameters_swigregister = _IMP_atom.CHARMMBondParameters_swigregister
9287 CHARMMBondParameters_swigregister(CHARMMBondParameters)
9288 
9289 class CHARMMDihedralParameters(object):
9290  """Proxy of C++ IMP::atom::CHARMMDihedralParameters class"""
9291  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
9292  force_constant = _swig_property(_IMP_atom.CHARMMDihedralParameters_force_constant_get, _IMP_atom.CHARMMDihedralParameters_force_constant_set)
9293  multiplicity = _swig_property(_IMP_atom.CHARMMDihedralParameters_multiplicity_get, _IMP_atom.CHARMMDihedralParameters_multiplicity_set)
9294  ideal = _swig_property(_IMP_atom.CHARMMDihedralParameters_ideal_get, _IMP_atom.CHARMMDihedralParameters_ideal_set)
9295  def __init__(self):
9296  """__init__(IMP::atom::CHARMMDihedralParameters self) -> CHARMMDihedralParameters"""
9297  this = _IMP_atom.new_CHARMMDihedralParameters()
9298  try: self.this.append(this)
9299  except: self.this = this
9300  def show(self, *args):
9301  """
9302  show(CHARMMDihedralParameters self, _ostream out=std::cout)
9303  show(CHARMMDihedralParameters self)
9304  """
9305  return _IMP_atom.CHARMMDihedralParameters_show(self, *args)
9306 
9307  def __str__(self):
9308  """__str__(CHARMMDihedralParameters self) -> std::string"""
9309  return _IMP_atom.CHARMMDihedralParameters___str__(self)
9310 
9311  def __repr__(self):
9312  """__repr__(CHARMMDihedralParameters self) -> std::string"""
9313  return _IMP_atom.CHARMMDihedralParameters___repr__(self)
9314 
9315  __swig_destroy__ = _IMP_atom.delete_CHARMMDihedralParameters
9316  __del__ = lambda self : None;
9317 CHARMMDihedralParameters_swigregister = _IMP_atom.CHARMMDihedralParameters_swigregister
9318 CHARMMDihedralParameters_swigregister(CHARMMDihedralParameters)
9319 
9320 class CHARMMParameters(ForceFieldParameters):
9321  """Proxy of C++ IMP::atom::CHARMMParameters class"""
9322  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
9323  def __init__(self, *args):
9324  """
9325  __init__(IMP::atom::CHARMMParameters self, TextInput topology_file_name, TextInput par_file_name=IMP::base::TextInput(), bool translate_names_to_pdb=False) -> CHARMMParameters
9326  __init__(IMP::atom::CHARMMParameters self, TextInput topology_file_name, TextInput par_file_name=IMP::base::TextInput()) -> CHARMMParameters
9327  __init__(IMP::atom::CHARMMParameters self, TextInput topology_file_name) -> CHARMMParameters
9328  """
9329  this = _IMP_atom.new_CHARMMParameters(*args)
9330  try: self.this.append(this)
9331  except: self.this = this
9332  def add_residue_topology(self, *args):
9333  """add_residue_topology(CHARMMParameters self, CHARMMIdealResidueTopology res)"""
9334  return _IMP_atom.CHARMMParameters_add_residue_topology(self, *args)
9335 
9336  def get_residue_topology(self, *args):
9337  """get_residue_topology(CHARMMParameters self, ResidueType type) -> CHARMMIdealResidueTopology"""
9338  return _IMP_atom.CHARMMParameters_get_residue_topology(self, *args)
9339 
9340  def add_patch(self, *args):
9341  """add_patch(CHARMMParameters self, CHARMMPatch patch)"""
9342  return _IMP_atom.CHARMMParameters_add_patch(self, *args)
9343 
9344  def get_patch(self, *args):
9345  """get_patch(CHARMMParameters self, std::string name) -> CHARMMPatch"""
9346  return _IMP_atom.CHARMMParameters_get_patch(self, *args)
9347 
9348  def create_topology(self, *args):
9349  """create_topology(CHARMMParameters self, Hierarchy hierarchy) -> CHARMMTopology"""
9350  return _IMP_atom.CHARMMParameters_create_topology(self, *args)
9351 
9352  def get_bond_parameters(self, *args):
9353  """get_bond_parameters(CHARMMParameters self, std::string type1, std::string type2) -> CHARMMBondParameters"""
9354  return _IMP_atom.CHARMMParameters_get_bond_parameters(self, *args)
9355 
9356  def get_angle_parameters(self, *args):
9357  """get_angle_parameters(CHARMMParameters self, std::string type1, std::string type2, std::string type3) -> CHARMMBondParameters"""
9358  return _IMP_atom.CHARMMParameters_get_angle_parameters(self, *args)
9359 
9360  def get_dihedral_parameters(self, *args):
9361  """get_dihedral_parameters(CHARMMParameters self, std::string type1, std::string type2, std::string type3, std::string type4) -> IMP::atom::CHARMMDihedralParametersList"""
9362  return _IMP_atom.CHARMMParameters_get_dihedral_parameters(self, *args)
9363 
9364  def get_improper_parameters(self, *args):
9365  """get_improper_parameters(CHARMMParameters self, std::string type1, std::string type2, std::string type3, std::string type4) -> CHARMMDihedralParameters"""
9366  return _IMP_atom.CHARMMParameters_get_improper_parameters(self, *args)
9367 
9368  def create_angles(self, *args):
9369  """create_angles(CHARMMParameters self, IMP::kernel::Particles bonds) -> IMP::kernel::Particles"""
9370  return _IMP_atom.CHARMMParameters_create_angles(self, *args)
9371 
9372  def create_dihedrals(self, *args):
9373  """create_dihedrals(CHARMMParameters self, IMP::kernel::Particles bonds) -> IMP::kernel::Particles"""
9374  return _IMP_atom.CHARMMParameters_create_dihedrals(self, *args)
9375 
9376  def get_version_info(self):
9377  """get_version_info(CHARMMParameters self) -> VersionInfo"""
9378  return _IMP_atom.CHARMMParameters_get_version_info(self)
9379 
9380  def do_show(self, *args):
9381  """do_show(CHARMMParameters self, _ostream out)"""
9382  return _IMP_atom.CHARMMParameters_do_show(self, *args)
9383 
9384  __swig_destroy__ = _IMP_atom.delete_CHARMMParameters
9385  __del__ = lambda self : None;
9386  def __str__(self):
9387  """__str__(CHARMMParameters self) -> std::string"""
9388  return _IMP_atom.CHARMMParameters___str__(self)
9389 
9390  def __repr__(self):
9391  """__repr__(CHARMMParameters self) -> std::string"""
9392  return _IMP_atom.CHARMMParameters___repr__(self)
9393 
9394  def get_from(o):
9395  return _object_cast_to_CHARMMParameters(o)
9396  get_from = staticmethod(get_from)
9397 
9398 CHARMMParameters_swigregister = _IMP_atom.CHARMMParameters_swigregister
9399 CHARMMParameters_swigregister(CHARMMParameters)
9400 
9401 
9403  """get_heavy_atom_CHARMM_parameters() -> CHARMMParameters"""
9404  return _IMP_atom.get_heavy_atom_CHARMM_parameters()
9405 
9407  """get_all_atom_CHARMM_parameters() -> CHARMMParameters"""
9408  return _IMP_atom.get_all_atom_CHARMM_parameters()
9409 class CHARMMSegmentTopology(IMP.base.Object):
9410  """Proxy of C++ IMP::atom::CHARMMSegmentTopology class"""
9411  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
9412  def remove_residue(self, *args):
9413  """remove_residue(CHARMMSegmentTopology self, CHARMMResidueTopology d)"""
9414  return _IMP_atom.CHARMMSegmentTopology_remove_residue(self, *args)
9415 
9416  def remove_residues(self, *args):
9417  """remove_residues(CHARMMSegmentTopology self, IMP::atom::CHARMMResidueTopologies const & d)"""
9418  return _IMP_atom.CHARMMSegmentTopology_remove_residues(self, *args)
9419 
9420  def set_residues(self, *args):
9421  """set_residues(CHARMMSegmentTopology self, IMP::atom::CHARMMResidueTopologies const & ps)"""
9422  return _IMP_atom.CHARMMSegmentTopology_set_residues(self, *args)
9423 
9424  def set_residues_order(self, *args):
9425  """set_residues_order(CHARMMSegmentTopology self, IMP::atom::CHARMMResidueTopologies const & objs)"""
9426  return _IMP_atom.CHARMMSegmentTopology_set_residues_order(self, *args)
9427 
9428  def add_residue(self, *args):
9429  """add_residue(CHARMMSegmentTopology self, CHARMMResidueTopology obj) -> unsigned int"""
9430  return _IMP_atom.CHARMMSegmentTopology_add_residue(self, *args)
9431 
9432  def add_residues(self, *args):
9433  """add_residues(CHARMMSegmentTopology self, IMP::atom::CHARMMResidueTopologies const & objs)"""
9434  return _IMP_atom.CHARMMSegmentTopology_add_residues(self, *args)
9435 
9436  def clear_residues(self):
9437  """clear_residues(CHARMMSegmentTopology self)"""
9438  return _IMP_atom.CHARMMSegmentTopology_clear_residues(self)
9439 
9440  def get_number_of_residues(self):
9441  """get_number_of_residues(CHARMMSegmentTopology self) -> unsigned int"""
9442  return _IMP_atom.CHARMMSegmentTopology_get_number_of_residues(self)
9443 
9444  def get_has_residues(self):
9445  """get_has_residues(CHARMMSegmentTopology self) -> bool"""
9446  return _IMP_atom.CHARMMSegmentTopology_get_has_residues(self)
9447 
9448  def get_residue(self, *args):
9449  """get_residue(CHARMMSegmentTopology self, unsigned int i) -> CHARMMResidueTopology"""
9450  return _IMP_atom.CHARMMSegmentTopology_get_residue(self, *args)
9451 
9452  def get_residues(self):
9453  """get_residues(CHARMMSegmentTopology self) -> IMP::atom::CHARMMResidueTopologies"""
9454  return _IMP_atom.CHARMMSegmentTopology_get_residues(self)
9455 
9456  def reserve_residues(self, *args):
9457  """reserve_residues(CHARMMSegmentTopology self, unsigned int sz)"""
9458  return _IMP_atom.CHARMMSegmentTopology_reserve_residues(self, *args)
9459 
9460  def get_version_info(self):
9461  """get_version_info(CHARMMSegmentTopology self) -> VersionInfo"""
9462  return _IMP_atom.CHARMMSegmentTopology_get_version_info(self)
9463 
9464  def __init__(self, name="CHARMM segment topology %1%"):
9465  """
9466  __init__(IMP::atom::CHARMMSegmentTopology self, std::string name="CHARMM segment topology %1%") -> CHARMMSegmentTopology
9467  __init__(IMP::atom::CHARMMSegmentTopology self) -> CHARMMSegmentTopology
9468  """
9469  this = _IMP_atom.new_CHARMMSegmentTopology(name)
9470  try: self.this.append(this)
9471  except: self.this = this
9472  def apply_default_patches(self, *args):
9473  """apply_default_patches(CHARMMSegmentTopology self, CHARMMParameters ff)"""
9474  return _IMP_atom.CHARMMSegmentTopology_apply_default_patches(self, *args)
9475 
9476  def __str__(self):
9477  """__str__(CHARMMSegmentTopology self) -> std::string"""
9478  return _IMP_atom.CHARMMSegmentTopology___str__(self)
9479 
9480  def __repr__(self):
9481  """__repr__(CHARMMSegmentTopology self) -> std::string"""
9482  return _IMP_atom.CHARMMSegmentTopology___repr__(self)
9483 
9484  def get_from(o):
9485  return _object_cast_to_CHARMMSegmentTopology(o)
9486  get_from = staticmethod(get_from)
9487 
9488 CHARMMSegmentTopology_swigregister = _IMP_atom.CHARMMSegmentTopology_swigregister
9489 CHARMMSegmentTopology_swigregister(CHARMMSegmentTopology)
9490 
9491 class CHARMMTopology(IMP.base.Object):
9492  """Proxy of C++ IMP::atom::CHARMMTopology class"""
9493  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
9494  def __init__(self, *args):
9495  """
9496  __init__(IMP::atom::CHARMMTopology self, CHARMMParameters force_field, std::string name="CHARMM topology %1%") -> CHARMMTopology
9497  __init__(IMP::atom::CHARMMTopology self, CHARMMParameters force_field) -> CHARMMTopology
9498  """
9499  this = _IMP_atom.new_CHARMMTopology(*args)
9500  try: self.this.append(this)
9501  except: self.this = this
9502  def get_parameters(self):
9503  """get_parameters(CHARMMTopology self) -> CHARMMParameters"""
9504  return _IMP_atom.CHARMMTopology_get_parameters(self)
9505 
9506  def add_sequence(self, *args):
9507  """add_sequence(CHARMMTopology self, std::string sequence)"""
9508  return _IMP_atom.CHARMMTopology_add_sequence(self, *args)
9509 
9510  def apply_default_patches(self):
9511  """apply_default_patches(CHARMMTopology self)"""
9512  return _IMP_atom.CHARMMTopology_apply_default_patches(self)
9513 
9514  def create_hierarchy(self, *args):
9515  """create_hierarchy(CHARMMTopology self, Model model) -> Hierarchy"""
9516  return _IMP_atom.CHARMMTopology_create_hierarchy(self, *args)
9517 
9518  def add_atom_types(self, *args):
9519  """add_atom_types(CHARMMTopology self, Hierarchy hierarchy)"""
9520  return _IMP_atom.CHARMMTopology_add_atom_types(self, *args)
9521 
9522  def add_coordinates(self, *args):
9523  """add_coordinates(CHARMMTopology self, Hierarchy hierarchy)"""
9524  return _IMP_atom.CHARMMTopology_add_coordinates(self, *args)
9525 
9526  def add_missing_atoms(self, *args):
9527  """add_missing_atoms(CHARMMTopology self, Hierarchy hierarchy)"""
9528  return _IMP_atom.CHARMMTopology_add_missing_atoms(self, *args)
9529 
9530  def setup_hierarchy(self, *args):
9531  """setup_hierarchy(CHARMMTopology self, Hierarchy hierarchy)"""
9532  return _IMP_atom.CHARMMTopology_setup_hierarchy(self, *args)
9533 
9534  def add_charges(self, *args):
9535  """add_charges(CHARMMTopology self, Hierarchy hierarchy)"""
9536  return _IMP_atom.CHARMMTopology_add_charges(self, *args)
9537 
9538  def add_bonds(self, *args):
9539  """add_bonds(CHARMMTopology self, Hierarchy hierarchy) -> IMP::kernel::Particles"""
9540  return _IMP_atom.CHARMMTopology_add_bonds(self, *args)
9541 
9542  def add_dihedrals(self, *args):
9543  """add_dihedrals(CHARMMTopology self, Hierarchy hierarchy) -> IMP::kernel::Particles"""
9544  return _IMP_atom.CHARMMTopology_add_dihedrals(self, *args)
9545 
9546  def add_impropers(self, *args):
9547  """add_impropers(CHARMMTopology self, Hierarchy hierarchy) -> IMP::kernel::Particles"""
9548  return _IMP_atom.CHARMMTopology_add_impropers(self, *args)
9549 
9550  def remove_segment(self, *args):
9551  """remove_segment(CHARMMTopology self, CHARMMSegmentTopology d)"""
9552  return _IMP_atom.CHARMMTopology_remove_segment(self, *args)
9553 
9554  def remove_segments(self, *args):
9555  """remove_segments(CHARMMTopology self, IMP::atom::CHARMMSegmentTopologies const & d)"""
9556  return _IMP_atom.CHARMMTopology_remove_segments(self, *args)
9557 
9558  def set_segments(self, *args):
9559  """set_segments(CHARMMTopology self, IMP::atom::CHARMMSegmentTopologies const & ps)"""
9560  return _IMP_atom.CHARMMTopology_set_segments(self, *args)
9561 
9562  def set_segments_order(self, *args):
9563  """set_segments_order(CHARMMTopology self, IMP::atom::CHARMMSegmentTopologies const & objs)"""
9564  return _IMP_atom.CHARMMTopology_set_segments_order(self, *args)
9565 
9566  def add_segment(self, *args):
9567  """add_segment(CHARMMTopology self, CHARMMSegmentTopology obj) -> unsigned int"""
9568  return _IMP_atom.CHARMMTopology_add_segment(self, *args)
9569 
9570  def add_segments(self, *args):
9571  """add_segments(CHARMMTopology self, IMP::atom::CHARMMSegmentTopologies const & objs)"""
9572  return _IMP_atom.CHARMMTopology_add_segments(self, *args)
9573 
9574  def clear_segments(self):
9575  """clear_segments(CHARMMTopology self)"""
9576  return _IMP_atom.CHARMMTopology_clear_segments(self)
9577 
9578  def get_number_of_segments(self):
9579  """get_number_of_segments(CHARMMTopology self) -> unsigned int"""
9580  return _IMP_atom.CHARMMTopology_get_number_of_segments(self)
9581 
9582  def get_has_segments(self):
9583  """get_has_segments(CHARMMTopology self) -> bool"""
9584  return _IMP_atom.CHARMMTopology_get_has_segments(self)
9585 
9586  def get_segment(self, *args):
9587  """get_segment(CHARMMTopology self, unsigned int i) -> CHARMMSegmentTopology"""
9588  return _IMP_atom.CHARMMTopology_get_segment(self, *args)
9589 
9590  def get_segments(self):
9591  """get_segments(CHARMMTopology self) -> IMP::atom::CHARMMSegmentTopologies"""
9592  return _IMP_atom.CHARMMTopology_get_segments(self)
9593 
9594  def reserve_segments(self, *args):
9595  """reserve_segments(CHARMMTopology self, unsigned int sz)"""
9596  return _IMP_atom.CHARMMTopology_reserve_segments(self, *args)
9597 
9598  def get_version_info(self):
9599  """get_version_info(CHARMMTopology self) -> VersionInfo"""
9600  return _IMP_atom.CHARMMTopology_get_version_info(self)
9601 
9602  def __str__(self):
9603  """__str__(CHARMMTopology self) -> std::string"""
9604  return _IMP_atom.CHARMMTopology___str__(self)
9605 
9606  def __repr__(self):
9607  """__repr__(CHARMMTopology self) -> std::string"""
9608  return _IMP_atom.CHARMMTopology___repr__(self)
9609 
9610  def get_from(o):
9611  return _object_cast_to_CHARMMTopology(o)
9612  get_from = staticmethod(get_from)
9613 
9614 CHARMMTopology_swigregister = _IMP_atom.CHARMMTopology_swigregister
9615 CHARMMTopology_swigregister(CHARMMTopology)
9616 
9617 class CHARMMStereochemistryRestraint(IMP.kernel.Restraint):
9618  """Proxy of C++ IMP::atom::CHARMMStereochemistryRestraint class"""
9619  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
9620  def __init__(self, *args):
9621  """
9622  __init__(IMP::atom::CHARMMStereochemistryRestraint self, Hierarchy h, CHARMMTopology topology) -> CHARMMStereochemistryRestraint
9623  __init__(IMP::atom::CHARMMStereochemistryRestraint self, Hierarchy h, CHARMMTopology topology, IMP::kernel::ParticlesTemp limit_to_these_particles) -> CHARMMStereochemistryRestraint
9624  """
9625  this = _IMP_atom.new_CHARMMStereochemistryRestraint(*args)
9626  try: self.this.append(this)
9627  except: self.this = this
9628  def get_pair_filter(self):
9629  """get_pair_filter(CHARMMStereochemistryRestraint self) -> StereochemistryPairFilter"""
9630  return _IMP_atom.CHARMMStereochemistryRestraint_get_pair_filter(self)
9631 
9632  def get_full_pair_filter(self):
9633  """get_full_pair_filter(CHARMMStereochemistryRestraint self) -> StereochemistryPairFilter"""
9634  return _IMP_atom.CHARMMStereochemistryRestraint_get_full_pair_filter(self)
9635 
9636  def do_get_inputs(self):
9637  """do_get_inputs(CHARMMStereochemistryRestraint self) -> IMP::kernel::ModelObjectsTemp"""
9638  return _IMP_atom.CHARMMStereochemistryRestraint_do_get_inputs(self)
9639 
9640  def get_version_info(self):
9641  """get_version_info(CHARMMStereochemistryRestraint self) -> VersionInfo"""
9642  return _IMP_atom.CHARMMStereochemistryRestraint_get_version_info(self)
9643 
9644  def __str__(self):
9645  """__str__(CHARMMStereochemistryRestraint self) -> std::string"""
9646  return _IMP_atom.CHARMMStereochemistryRestraint___str__(self)
9647 
9648  def __repr__(self):
9649  """__repr__(CHARMMStereochemistryRestraint self) -> std::string"""
9650  return _IMP_atom.CHARMMStereochemistryRestraint___repr__(self)
9651 
9652  def get_from(o):
9653  return _object_cast_to_CHARMMStereochemistryRestraint(o)
9654  get_from = staticmethod(get_from)
9655 
9656 CHARMMStereochemistryRestraint_swigregister = _IMP_atom.CHARMMStereochemistryRestraint_swigregister
9657 CHARMMStereochemistryRestraint_swigregister(CHARMMStereochemistryRestraint)
9658 
9659 
9660 def add_bonds(*args):
9661  """
9662  add_bonds(Hierarchy d, ForceFieldParameters ffp=IMP::atom::get_all_atom_CHARMM_parameters())
9663  add_bonds(Hierarchy d)
9664  """
9665  return _IMP_atom.add_bonds(*args)
9666 
9667 def add_radii(*args):
9668  """
9669  add_radii(Hierarchy d, ForceFieldParameters ffp=IMP::atom::get_all_atom_CHARMM_parameters(),
9670  FloatKey radius_key=FloatKey("radius"))
9671  add_radii(Hierarchy d, ForceFieldParameters ffp=IMP::atom::get_all_atom_CHARMM_parameters())
9672  add_radii(Hierarchy d)
9673  """
9674  return _IMP_atom.add_radii(*args)
9675 ALBER = _IMP_atom.ALBER
9676 HARPAZ = _IMP_atom.HARPAZ
9677 ANDERSSON = _IMP_atom.ANDERSSON
9678 TSAI = _IMP_atom.TSAI
9679 QUILLIN = _IMP_atom.QUILLIN
9680 SQUIRE = _IMP_atom.SQUIRE
9681 
9683  """get_protein_density_from_reference(IMP::atom::ProteinDensityReference densityReference) -> double"""
9684  return _IMP_atom.get_protein_density_from_reference(*args)
9685 
9686 def get_volume_from_mass(*args):
9687  """
9688  get_volume_from_mass(double m, IMP::atom::ProteinDensityReference ref=ALBER) -> double
9689  get_volume_from_mass(double m) -> double
9690  """
9691  return _IMP_atom.get_volume_from_mass(*args)
9692 
9693 def get_mass_from_volume(*args):
9694  """
9695  get_mass_from_volume(double v, IMP::atom::ProteinDensityReference ref=ALBER) -> double
9696  get_mass_from_volume(double v) -> double
9697  """
9698  return _IMP_atom.get_mass_from_volume(*args)
9699 
9701  """get_mass_from_number_of_residues(unsigned int num_aa) -> double"""
9702  return _IMP_atom.get_mass_from_number_of_residues(*args)
9703 
9704 def get_volume_from_residue_type(*args):
9705  """get_volume_from_residue_type(ResidueType rt) -> double"""
9706  return _IMP_atom.get_volume_from_residue_type(*args)
9707 
9708 def get_molarity(*args):
9709  """get_molarity(double n, double volume) -> double"""
9710  return _IMP_atom.get_molarity(*args)
9711 
9712 def get_kd(*args):
9713  """get_kd(double na, double nb, double nab, double volume) -> double"""
9714  return _IMP_atom.get_kd(*args)
9715 
9717  """get_einstein_diffusion_coefficient(double r) -> double"""
9718  return _IMP_atom.get_einstein_diffusion_coefficient(*args)
9719 
9721  """get_einstein_rotational_diffusion_coefficient(double r) -> double"""
9722  return _IMP_atom.get_einstein_rotational_diffusion_coefficient(*args)
9723 
9724 def get_diffusion_length(*args):
9725  """
9726  get_diffusion_length(double D, double t) -> double
9727  get_diffusion_length(double D, double force, double t, double temp=273) -> double
9728  get_diffusion_length(double D, double force, double t) -> double
9729  """
9730  return _IMP_atom.get_diffusion_length(*args)
9731 
9732 def get_diffusion_angle(*args):
9733  """get_diffusion_angle(double D, double dtfs) -> double"""
9734  return _IMP_atom.get_diffusion_angle(*args)
9735 
9736 def get_diffusion_coefficient(*args):
9737  """get_diffusion_coefficient(IMP::algebra::Vector3Ds const & displacements, double dt) -> double"""
9738  return _IMP_atom.get_diffusion_coefficient(*args)
9739 
9741  """get_rotational_diffusion_coefficient(IMP::algebra::Rotation3Ds const & displacements, double dt) -> double"""
9742  return _IMP_atom.get_rotational_diffusion_coefficient(*args)
9743 class EzRestraint(IMP.kernel.Restraint):
9744  """Proxy of C++ IMP::atom::EzRestraint class"""
9745  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
9746  def __init__(self, *args):
9747  """__init__(IMP::atom::EzRestraint self, IMP::kernel::Particles ps) -> EzRestraint"""
9748  this = _IMP_atom.new_EzRestraint(*args)
9749  try: self.this.append(this)
9750  except: self.this = this
9751  def get_version_info(self):
9752  """get_version_info(EzRestraint self) -> VersionInfo"""
9753  return _IMP_atom.EzRestraint_get_version_info(self)
9754 
9755  def __str__(self):
9756  """__str__(EzRestraint self) -> std::string"""
9757  return _IMP_atom.EzRestraint___str__(self)
9758 
9759  def __repr__(self):
9760  """__repr__(EzRestraint self) -> std::string"""
9761  return _IMP_atom.EzRestraint___repr__(self)
9762 
9763  def get_from(o):
9764  return _object_cast_to_EzRestraint(o)
9765  get_from = staticmethod(get_from)
9766 
9767 EzRestraint_swigregister = _IMP_atom.EzRestraint_swigregister
9768 EzRestraint_swigregister(EzRestraint)
9769 
9770 
9771 def create_protein(*args):
9772  """
9773  create_protein(Model m, std::string name, double target_radius, int number_of_residues, int first_residue_index=0,
9774  double volume=-1, bool ismol=True) -> Hierarchy
9775  create_protein(Model m, std::string name, double target_radius, int number_of_residues, int first_residue_index=0,
9776  double volume=-1) -> Hierarchy
9777  create_protein(Model m, std::string name, double target_radius, int number_of_residues, int first_residue_index=0) -> Hierarchy
9778  create_protein(Model m, std::string name, double target_radius, int number_of_residues) -> Hierarchy
9779  create_protein(Model m, std::string name, double target_radius, IMP::Ints const domain_boundaries) -> Hierarchy
9780  """
9781  return _IMP_atom.create_protein(*args)
9782 
9784  """
9785  create_simplified_along_backbone(Hierarchy input, int num_res, bool keep_detailed=False) -> Hierarchy
9786  create_simplified_along_backbone(Hierarchy input, int num_res) -> Hierarchy
9787  create_simplified_along_backbone(Chain input, IMP::IntRanges const & residue_segments, bool keep_detailed=False) -> Hierarchy
9788  create_simplified_along_backbone(Chain input, IMP::IntRanges const & residue_segments) -> Hierarchy
9789  """
9790  return _IMP_atom.create_simplified_along_backbone(*args)
9791 
9793  """create_simplified_from_volume(Hierarchy h, double resolution) -> Hierarchy"""
9794  return _IMP_atom.create_simplified_from_volume(*args)
9795 
9797  """create_simplified_assembly_from_volume(Hierarchy h, double resolution) -> Hierarchy"""
9798  return _IMP_atom.create_simplified_assembly_from_volume(*args)
9799 
9800 def get_residue_indexes(*args):
9801  """get_residue_indexes(Hierarchy h) -> IMP::Ints"""
9802  return _IMP_atom.get_residue_indexes(*args)
9803 
9804 def get_residue_type(*args):
9805  """
9806  get_residue_type(char c) -> ResidueType
9807  get_residue_type(Hierarchy h) -> ResidueType
9808  """
9809  return _IMP_atom.get_residue_type(*args)
9810 
9811 def get_chain_id_char(*args):
9812  """get_chain_id_char(Hierarchy h) -> char"""
9813  return _IMP_atom.get_chain_id_char(*args)
9814 
9815 def get_atom_type(*args):
9816  """get_atom_type(Hierarchy h) -> AtomType"""
9817  return _IMP_atom.get_atom_type(*args)
9818 
9819 def get_domain_name(*args):
9820  """get_domain_name(Hierarchy h) -> std::string"""
9821  return _IMP_atom.get_domain_name(*args)
9822 
9824  """
9825  create_excluded_volume_restraint(IMP::atom::Selections const & s) -> Restraint
9826  create_excluded_volume_restraint(IMP::atom::Hierarchies const & hs, double resolution=-1) -> Restraint
9827  create_excluded_volume_restraint(IMP::atom::Hierarchies const & hs) -> Restraint
9828  """
9829  return _IMP_atom.create_excluded_volume_restraint(*args)
9830 
9831 def setup_as_approximation(*args):
9832  """
9833  setup_as_approximation(Particle h, IMP::kernel::ParticlesTemp const & other, double resolution=-1)
9834  setup_as_approximation(Particle h, IMP::kernel::ParticlesTemp const & other)
9835  setup_as_approximation(Hierarchy h, double resolution=-1)
9836  setup_as_approximation(Hierarchy h)
9837  """
9838  return _IMP_atom.setup_as_approximation(*args)
9839 class _HierarchyTreeVertexIndex(object):
9840  """Proxy of C++ IMP::atom::HierarchyTreeVertexIndex class"""
9841  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
9842  __repr__ = _swig_repr
9843  def __init__(self):
9844  """__init__(IMP::atom::HierarchyTreeVertexIndex self) -> _HierarchyTreeVertexIndex"""
9845  this = _IMP_atom.new__HierarchyTreeVertexIndex()
9846  try: self.this.append(this)
9847  except: self.this = this
9848  __swig_destroy__ = _IMP_atom.delete__HierarchyTreeVertexIndex
9849  __del__ = lambda self : None;
9850 _HierarchyTreeVertexIndex_swigregister = _IMP_atom._HierarchyTreeVertexIndex_swigregister
9851 _HierarchyTreeVertexIndex_swigregister(_HierarchyTreeVertexIndex)
9852 
9853 
9854 def show_as_graphviz(*args):
9855  """show_as_graphviz(IMP::atom::HierarchyTree const & name, TextOutput out)"""
9856  return _IMP_atom.show_as_graphviz(*args)
9857 
9858 def get_vertex_index(*args):
9859  """get_vertex_index(IMP::atom::HierarchyTree const & g) -> _HierarchyTreeVertexIndex"""
9860  return _IMP_atom.get_vertex_index(*args)
9861 
9862 def get_hierarchy_tree(*args):
9863  """get_hierarchy_tree(Hierarchy h) -> IMP::atom::HierarchyTree"""
9864  return _IMP_atom.get_hierarchy_tree(*args)
9865 class HierarchyGeometry(IMP.display.SingletonGeometry):
9866  """Proxy of C++ IMP::atom::HierarchyGeometry class"""
9867  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
9868  def __init__(self, *args):
9869  """
9870  __init__(IMP::atom::HierarchyGeometry self, Hierarchy d, double resolution=0) -> HierarchyGeometry
9871  __init__(IMP::atom::HierarchyGeometry self, Hierarchy d) -> HierarchyGeometry
9872  """
9873  this = _IMP_atom.new_HierarchyGeometry(*args)
9874  try: self.this.append(this)
9875  except: self.this = this
9876  def get_version_info(self):
9877  """get_version_info(HierarchyGeometry self) -> VersionInfo"""
9878  return _IMP_atom.HierarchyGeometry_get_version_info(self)
9879 
9880  def __str__(self):
9881  """__str__(HierarchyGeometry self) -> std::string"""
9882  return _IMP_atom.HierarchyGeometry___str__(self)
9883 
9884  def __repr__(self):
9885  """__repr__(HierarchyGeometry self) -> std::string"""
9886  return _IMP_atom.HierarchyGeometry___repr__(self)
9887 
9888  def get_from(o):
9889  return _object_cast_to_HierarchyGeometry(o)
9890  get_from = staticmethod(get_from)
9891 
9892 HierarchyGeometry_swigregister = _IMP_atom.HierarchyGeometry_swigregister
9893 HierarchyGeometry_swigregister(HierarchyGeometry)
9894 
9895 class HierarchiesGeometry(IMP.display.SingletonsGeometry):
9896  """Proxy of C++ IMP::atom::HierarchiesGeometry class"""
9897  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
9898  def __init__(self, *args):
9899  """
9900  __init__(IMP::atom::HierarchiesGeometry self, SingletonContainer sc, double resolution=-1) -> HierarchiesGeometry
9901  __init__(IMP::atom::HierarchiesGeometry self, SingletonContainer sc) -> HierarchiesGeometry
9902  """
9903  this = _IMP_atom.new_HierarchiesGeometry(*args)
9904  try: self.this.append(this)
9905  except: self.this = this
9906  def get_version_info(self):
9907  """get_version_info(HierarchiesGeometry self) -> VersionInfo"""
9908  return _IMP_atom.HierarchiesGeometry_get_version_info(self)
9909 
9910  def __str__(self):
9911  """__str__(HierarchiesGeometry self) -> std::string"""
9912  return _IMP_atom.HierarchiesGeometry___str__(self)
9913 
9914  def __repr__(self):
9915  """__repr__(HierarchiesGeometry self) -> std::string"""
9916  return _IMP_atom.HierarchiesGeometry___repr__(self)
9917 
9918  def get_from(o):
9919  return _object_cast_to_HierarchiesGeometry(o)
9920  get_from = staticmethod(get_from)
9921 
9922 HierarchiesGeometry_swigregister = _IMP_atom.HierarchiesGeometry_swigregister
9923 HierarchiesGeometry_swigregister(HierarchiesGeometry)
9924 
9925 
9926 def transform(*args):
9927  """
9928  transform(Hierarchy h, Transformation3D tr)
9929  transform(Hierarchy h, Transformation3D tr)
9930  """
9931  return _IMP_atom.transform(*args)
9932 class DopePairScore(_ADopeBase):
9933  """Proxy of C++ IMP::atom::DopePairScore class"""
9934  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
9935  def __init__(self, *args):
9936  """
9937  __init__(IMP::atom::DopePairScore self, double threshold=std::numeric_limits< double >::max()) -> DopePairScore
9938  __init__(IMP::atom::DopePairScore self) -> DopePairScore
9939  __init__(IMP::atom::DopePairScore self, double threshold, TextInput data_file) -> DopePairScore
9940  """
9941  this = _IMP_atom.new_DopePairScore(*args)
9942  try: self.this.append(this)
9943  except: self.this = this
9944  def __str__(self):
9945  """__str__(DopePairScore self) -> std::string"""
9946  return _IMP_atom.DopePairScore___str__(self)
9947 
9948  def __repr__(self):
9949  """__repr__(DopePairScore self) -> std::string"""
9950  return _IMP_atom.DopePairScore___repr__(self)
9951 
9952  def get_from(o):
9953  return _object_cast_to_DopePairScore(o)
9954  get_from = staticmethod(get_from)
9955 
9956  __swig_destroy__ = _IMP_atom.delete_DopePairScore
9957  __del__ = lambda self : None;
9958 DopePairScore_swigregister = _IMP_atom.DopePairScore_swigregister
9959 DopePairScore_swigregister(DopePairScore)
9960 
9961 
9962 def add_dope_score_data(*args):
9963  """add_dope_score_data(Hierarchy h)"""
9964  return _IMP_atom.add_dope_score_data(*args)
9965 class OrientedSoapPairScore(_OrientedSoapBase):
9966  """Proxy of C++ IMP::atom::OrientedSoapPairScore class"""
9967  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
9968  def __init__(self, *args):
9969  """__init__(IMP::atom::OrientedSoapPairScore self, std::string library) -> OrientedSoapPairScore"""
9970  this = _IMP_atom.new_OrientedSoapPairScore(*args)
9971  try: self.this.append(this)
9972  except: self.this = this
9973  def get_pair_filter(self):
9974  """get_pair_filter(OrientedSoapPairScore self) -> SoapPairFilter"""
9975  return _IMP_atom.OrientedSoapPairScore_get_pair_filter(self)
9976 
9977  def __str__(self):
9978  """__str__(OrientedSoapPairScore self) -> std::string"""
9979  return _IMP_atom.OrientedSoapPairScore___str__(self)
9980 
9981  def __repr__(self):
9982  """__repr__(OrientedSoapPairScore self) -> std::string"""
9983  return _IMP_atom.OrientedSoapPairScore___repr__(self)
9984 
9985  def get_from(o):
9986  return _object_cast_to_OrientedSoapPairScore(o)
9987  get_from = staticmethod(get_from)
9988 
9989  __swig_destroy__ = _IMP_atom.delete_OrientedSoapPairScore
9990  __del__ = lambda self : None;
9991 OrientedSoapPairScore_swigregister = _IMP_atom.OrientedSoapPairScore_swigregister
9992 OrientedSoapPairScore_swigregister(OrientedSoapPairScore)
9993 
9994 class SameResiduePairFilter(IMP.kernel.PairPredicate):
9995  """Proxy of C++ IMP::atom::SameResiduePairFilter class"""
9996  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
9997  def __init__(self):
9998  """__init__(IMP::atom::SameResiduePairFilter self) -> SameResiduePairFilter"""
9999  this = _IMP_atom.new_SameResiduePairFilter()
10000  try: self.this.append(this)
10001  except: self.this = this
10002  def do_get_inputs(self, *args):
10003  """do_get_inputs(SameResiduePairFilter self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
10004  return _IMP_atom.SameResiduePairFilter_do_get_inputs(self, *args)
10005 
10006  def get_value(self, *args):
10007  """
10008  get_value(SameResiduePairFilter self, IMP::kernel::ParticlePair const & a) -> int
10009  get_value(SameResiduePairFilter self, IMP::kernel::ParticlePairsTemp const & o) -> IMP::Ints
10010  """
10011  return _IMP_atom.SameResiduePairFilter_get_value(self, *args)
10012 
10013  def get_value_index(self, *args):
10014  """
10015  get_value_index(SameResiduePairFilter self, Model m, IMP::kernel::ParticleIndexPair const & p) -> int
10016  get_value_index(SameResiduePairFilter self, Model m, IMP::kernel::ParticleIndexPairs const & o) -> IMP::Ints
10017  """
10018  return _IMP_atom.SameResiduePairFilter_get_value_index(self, *args)
10019 
10020  def get_version_info(self):
10021  """get_version_info(SameResiduePairFilter self) -> VersionInfo"""
10022  return _IMP_atom.SameResiduePairFilter_get_version_info(self)
10023 
10024  def __str__(self):
10025  """__str__(SameResiduePairFilter self) -> std::string"""
10026  return _IMP_atom.SameResiduePairFilter___str__(self)
10027 
10028  def __repr__(self):
10029  """__repr__(SameResiduePairFilter self) -> std::string"""
10030  return _IMP_atom.SameResiduePairFilter___repr__(self)
10031 
10032  def get_from(o):
10033  return _object_cast_to_SameResiduePairFilter(o)
10034  get_from = staticmethod(get_from)
10035 
10036 SameResiduePairFilter_swigregister = _IMP_atom.SameResiduePairFilter_swigregister
10037 SameResiduePairFilter_swigregister(SameResiduePairFilter)
10038 
10039 class RemoveRigidMotionOptimizerState(IMP.kernel.OptimizerState):
10040  """Proxy of C++ IMP::atom::RemoveRigidMotionOptimizerState class"""
10041  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10042  def __init__(self, *args):
10043  """__init__(IMP::atom::RemoveRigidMotionOptimizerState self, Model m, _ParticleIndexesAdaptor pis) -> RemoveRigidMotionOptimizerState"""
10044  this = _IMP_atom.new_RemoveRigidMotionOptimizerState(*args)
10045  try: self.this.append(this)
10046  except: self.this = this
10047  def set_particles(self, *args):
10048  """set_particles(RemoveRigidMotionOptimizerState self, IMP::kernel::Particles const & pis)"""
10049  return _IMP_atom.RemoveRigidMotionOptimizerState_set_particles(self, *args)
10050 
10051  def remove_rigid_motion(self):
10052  """remove_rigid_motion(RemoveRigidMotionOptimizerState self)"""
10053  return _IMP_atom.RemoveRigidMotionOptimizerState_remove_rigid_motion(self)
10054 
10055  def get_version_info(self):
10056  """get_version_info(RemoveRigidMotionOptimizerState self) -> VersionInfo"""
10057  return _IMP_atom.RemoveRigidMotionOptimizerState_get_version_info(self)
10058 
10059  def __str__(self):
10060  """__str__(RemoveRigidMotionOptimizerState self) -> std::string"""
10061  return _IMP_atom.RemoveRigidMotionOptimizerState___str__(self)
10062 
10063  def __repr__(self):
10064  """__repr__(RemoveRigidMotionOptimizerState self) -> std::string"""
10065  return _IMP_atom.RemoveRigidMotionOptimizerState___repr__(self)
10066 
10067  def get_from(o):
10068  return _object_cast_to_RemoveRigidMotionOptimizerState(o)
10069  get_from = staticmethod(get_from)
10070 
10071 RemoveRigidMotionOptimizerState_swigregister = _IMP_atom.RemoveRigidMotionOptimizerState_swigregister
10072 RemoveRigidMotionOptimizerState_swigregister(RemoveRigidMotionOptimizerState)
10073 
10074 class BerendsenThermostatOptimizerState(IMP.kernel.OptimizerState):
10075  """Proxy of C++ IMP::atom::BerendsenThermostatOptimizerState class"""
10076  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10077  def __init__(self, *args):
10078  """__init__(IMP::atom::BerendsenThermostatOptimizerState self, IMP::kernel::Particles const & pis, double temperature, double tau) -> BerendsenThermostatOptimizerState"""
10079  this = _IMP_atom.new_BerendsenThermostatOptimizerState(*args)
10080  try: self.this.append(this)
10081  except: self.this = this
10082  def set_particles(self, *args):
10083  """set_particles(BerendsenThermostatOptimizerState self, IMP::kernel::Particles const & pis)"""
10084  return _IMP_atom.BerendsenThermostatOptimizerState_set_particles(self, *args)
10085 
10086  def get_temperature(self):
10087  """get_temperature(BerendsenThermostatOptimizerState self) -> double"""
10088  return _IMP_atom.BerendsenThermostatOptimizerState_get_temperature(self)
10089 
10090  def get_tau(self):
10091  """get_tau(BerendsenThermostatOptimizerState self) -> double"""
10092  return _IMP_atom.BerendsenThermostatOptimizerState_get_tau(self)
10093 
10094  def set_temperature(self, *args):
10095  """set_temperature(BerendsenThermostatOptimizerState self, double temperature)"""
10096  return _IMP_atom.BerendsenThermostatOptimizerState_set_temperature(self, *args)
10097 
10098  def set_tau(self, *args):
10099  """set_tau(BerendsenThermostatOptimizerState self, double tau)"""
10100  return _IMP_atom.BerendsenThermostatOptimizerState_set_tau(self, *args)
10101 
10102  def rescale_velocities(self):
10103  """rescale_velocities(BerendsenThermostatOptimizerState self)"""
10104  return _IMP_atom.BerendsenThermostatOptimizerState_rescale_velocities(self)
10105 
10106  def get_version_info(self):
10107  """get_version_info(BerendsenThermostatOptimizerState self) -> VersionInfo"""
10108  return _IMP_atom.BerendsenThermostatOptimizerState_get_version_info(self)
10109 
10110  def __str__(self):
10111  """__str__(BerendsenThermostatOptimizerState self) -> std::string"""
10112  return _IMP_atom.BerendsenThermostatOptimizerState___str__(self)
10113 
10114  def __repr__(self):
10115  """__repr__(BerendsenThermostatOptimizerState self) -> std::string"""
10116  return _IMP_atom.BerendsenThermostatOptimizerState___repr__(self)
10117 
10118  def get_from(o):
10119  return _object_cast_to_BerendsenThermostatOptimizerState(o)
10120  get_from = staticmethod(get_from)
10121 
10122 BerendsenThermostatOptimizerState_swigregister = _IMP_atom.BerendsenThermostatOptimizerState_swigregister
10123 BerendsenThermostatOptimizerState_swigregister(BerendsenThermostatOptimizerState)
10124 
10125 class LangevinThermostatOptimizerState(IMP.kernel.OptimizerState):
10126  """Proxy of C++ IMP::atom::LangevinThermostatOptimizerState class"""
10127  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10128  def __init__(self, *args):
10129  """__init__(IMP::atom::LangevinThermostatOptimizerState self, Model m, _ParticleIndexesAdaptor pis, double temperature, double gamma) -> LangevinThermostatOptimizerState"""
10130  this = _IMP_atom.new_LangevinThermostatOptimizerState(*args)
10131  try: self.this.append(this)
10132  except: self.this = this
10133  def set_particles(self, *args):
10134  """set_particles(LangevinThermostatOptimizerState self, IMP::kernel::Particles const & pis)"""
10135  return _IMP_atom.LangevinThermostatOptimizerState_set_particles(self, *args)
10136 
10137  def get_temperature(self):
10138  """get_temperature(LangevinThermostatOptimizerState self) -> double"""
10139  return _IMP_atom.LangevinThermostatOptimizerState_get_temperature(self)
10140 
10141  def get_gamma(self):
10142  """get_gamma(LangevinThermostatOptimizerState self) -> double"""
10143  return _IMP_atom.LangevinThermostatOptimizerState_get_gamma(self)
10144 
10145  def set_temperature(self, *args):
10146  """set_temperature(LangevinThermostatOptimizerState self, double temperature)"""
10147  return _IMP_atom.LangevinThermostatOptimizerState_set_temperature(self, *args)
10148 
10149  def set_gamma(self, *args):
10150  """set_gamma(LangevinThermostatOptimizerState self, double gamma)"""
10151  return _IMP_atom.LangevinThermostatOptimizerState_set_gamma(self, *args)
10152 
10153  def rescale_velocities(self):
10154  """rescale_velocities(LangevinThermostatOptimizerState self)"""
10155  return _IMP_atom.LangevinThermostatOptimizerState_rescale_velocities(self)
10156 
10157  def get_version_info(self):
10158  """get_version_info(LangevinThermostatOptimizerState self) -> VersionInfo"""
10159  return _IMP_atom.LangevinThermostatOptimizerState_get_version_info(self)
10160 
10161  def __str__(self):
10162  """__str__(LangevinThermostatOptimizerState self) -> std::string"""
10163  return _IMP_atom.LangevinThermostatOptimizerState___str__(self)
10164 
10165  def __repr__(self):
10166  """__repr__(LangevinThermostatOptimizerState self) -> std::string"""
10167  return _IMP_atom.LangevinThermostatOptimizerState___repr__(self)
10168 
10169  def get_from(o):
10170  return _object_cast_to_LangevinThermostatOptimizerState(o)
10171  get_from = staticmethod(get_from)
10172 
10173 LangevinThermostatOptimizerState_swigregister = _IMP_atom.LangevinThermostatOptimizerState_swigregister
10174 LangevinThermostatOptimizerState_swigregister(LangevinThermostatOptimizerState)
10175 
10176 class PDBSelector(IMP.base.Object):
10177  """Proxy of C++ IMP::atom::PDBSelector class"""
10178  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10179  def __init__(self, *args):
10180  """__init__(IMP::atom::PDBSelector self, std::string name) -> PDBSelector"""
10181  if self.__class__ == PDBSelector:
10182  _self = None
10183  else:
10184  _self = self
10185  this = _IMP_atom.new_PDBSelector(_self, *args)
10186  try: self.this.append(this)
10187  except: self.this = this
10188  if self.__class__ != PDBSelector:
10189  import IMP.base
10190  IMP.base._director_objects.register(self)
10191 
10192 
10193 
10194  def get_is_selected(self, *args):
10195  """get_is_selected(PDBSelector self, std::string const & pdb_line) -> bool"""
10196  return _IMP_atom.PDBSelector_get_is_selected(self, *args)
10197 
10198  __swig_destroy__ = _IMP_atom.delete_PDBSelector
10199  __del__ = lambda self : None;
10200  def __str__(self):
10201  """__str__(PDBSelector self) -> std::string"""
10202  return _IMP_atom.PDBSelector___str__(self)
10203 
10204  def __repr__(self):
10205  """__repr__(PDBSelector self) -> std::string"""
10206  return _IMP_atom.PDBSelector___repr__(self)
10207 
10208  def get_from(o):
10209  return _object_cast_to_PDBSelector(o)
10210  get_from = staticmethod(get_from)
10211 
10212  def get_type_name(self):
10213  return self.__class__.__name__
10214  def do_show(self, out):
10215  pass
10216  def get_version_info(self):
10217  if"IMP::atom" == "IMP":
10218  return VersionInfo("python", "0")
10219  else:
10220  return IMP.VersionInfo("python", "0")
10221  def get_from(o):
10222  return _object_cast_to_PDBSelector(o)
10223  get_from = staticmethod(get_from)
10224 
10225  def __disown__(self):
10226  self.this.disown()
10227  _IMP_atom.disown_PDBSelector(self)
10228  return weakref_proxy(self)
10229  def do_destroy(self):
10230  """do_destroy(PDBSelector self)"""
10231  return _IMP_atom.PDBSelector_do_destroy(self)
10232 
10233 PDBSelector_swigregister = _IMP_atom.PDBSelector_swigregister
10234 PDBSelector_swigregister(PDBSelector)
10235 
10236 class NonAlternativePDBSelector(PDBSelector):
10237  """Proxy of C++ IMP::atom::NonAlternativePDBSelector class"""
10238  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10239  def __init__(self, name="NonAlternativePDBSelector%1%"):
10240  """
10241  __init__(IMP::atom::NonAlternativePDBSelector self, std::string name="NonAlternativePDBSelector%1%") -> NonAlternativePDBSelector
10242  __init__(IMP::atom::NonAlternativePDBSelector self) -> NonAlternativePDBSelector
10243  """
10244  this = _IMP_atom.new_NonAlternativePDBSelector(name)
10245  try: self.this.append(this)
10246  except: self.this = this
10247  def get_version_info(self):
10248  """get_version_info(NonAlternativePDBSelector self) -> VersionInfo"""
10249  return _IMP_atom.NonAlternativePDBSelector_get_version_info(self)
10250 
10251  def __str__(self):
10252  """__str__(NonAlternativePDBSelector self) -> std::string"""
10253  return _IMP_atom.NonAlternativePDBSelector___str__(self)
10254 
10255  def __repr__(self):
10256  """__repr__(NonAlternativePDBSelector self) -> std::string"""
10257  return _IMP_atom.NonAlternativePDBSelector___repr__(self)
10258 
10259  def get_from(o):
10260  return _object_cast_to_NonAlternativePDBSelector(o)
10261  get_from = staticmethod(get_from)
10262 
10263 NonAlternativePDBSelector_swigregister = _IMP_atom.NonAlternativePDBSelector_swigregister
10264 NonAlternativePDBSelector_swigregister(NonAlternativePDBSelector)
10265 
10266 class ATOMPDBSelector(NonAlternativePDBSelector):
10267  """Proxy of C++ IMP::atom::ATOMPDBSelector class"""
10268  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10269  def __init__(self, name="ATOMPDBSelector%1%"):
10270  """
10271  __init__(IMP::atom::ATOMPDBSelector self, std::string name="ATOMPDBSelector%1%") -> ATOMPDBSelector
10272  __init__(IMP::atom::ATOMPDBSelector self) -> ATOMPDBSelector
10273  """
10274  this = _IMP_atom.new_ATOMPDBSelector(name)
10275  try: self.this.append(this)
10276  except: self.this = this
10277  def __str__(self):
10278  """__str__(ATOMPDBSelector self) -> std::string"""
10279  return _IMP_atom.ATOMPDBSelector___str__(self)
10280 
10281  def __repr__(self):
10282  """__repr__(ATOMPDBSelector self) -> std::string"""
10283  return _IMP_atom.ATOMPDBSelector___repr__(self)
10284 
10285  def get_from(o):
10286  return _object_cast_to_ATOMPDBSelector(o)
10287  get_from = staticmethod(get_from)
10288 
10289 ATOMPDBSelector_swigregister = _IMP_atom.ATOMPDBSelector_swigregister
10290 ATOMPDBSelector_swigregister(ATOMPDBSelector)
10291 
10292 class CAlphaPDBSelector(NonAlternativePDBSelector):
10293  """Proxy of C++ IMP::atom::CAlphaPDBSelector class"""
10294  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10295  def __init__(self, name="CAlphaPDBSelector%1%"):
10296  """
10297  __init__(IMP::atom::CAlphaPDBSelector self, std::string name="CAlphaPDBSelector%1%") -> CAlphaPDBSelector
10298  __init__(IMP::atom::CAlphaPDBSelector self) -> CAlphaPDBSelector
10299  """
10300  this = _IMP_atom.new_CAlphaPDBSelector(name)
10301  try: self.this.append(this)
10302  except: self.this = this
10303  def __str__(self):
10304  """__str__(CAlphaPDBSelector self) -> std::string"""
10305  return _IMP_atom.CAlphaPDBSelector___str__(self)
10306 
10307  def __repr__(self):
10308  """__repr__(CAlphaPDBSelector self) -> std::string"""
10309  return _IMP_atom.CAlphaPDBSelector___repr__(self)
10310 
10311  def get_from(o):
10312  return _object_cast_to_CAlphaPDBSelector(o)
10313  get_from = staticmethod(get_from)
10314 
10315 CAlphaPDBSelector_swigregister = _IMP_atom.CAlphaPDBSelector_swigregister
10316 CAlphaPDBSelector_swigregister(CAlphaPDBSelector)
10317 
10318 class CBetaPDBSelector(NonAlternativePDBSelector):
10319  """Proxy of C++ IMP::atom::CBetaPDBSelector class"""
10320  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10321  def __init__(self, name="CBetaPDBSelector%1%"):
10322  """
10323  __init__(IMP::atom::CBetaPDBSelector self, std::string name="CBetaPDBSelector%1%") -> CBetaPDBSelector
10324  __init__(IMP::atom::CBetaPDBSelector self) -> CBetaPDBSelector
10325  """
10326  this = _IMP_atom.new_CBetaPDBSelector(name)
10327  try: self.this.append(this)
10328  except: self.this = this
10329  def __str__(self):
10330  """__str__(CBetaPDBSelector self) -> std::string"""
10331  return _IMP_atom.CBetaPDBSelector___str__(self)
10332 
10333  def __repr__(self):
10334  """__repr__(CBetaPDBSelector self) -> std::string"""
10335  return _IMP_atom.CBetaPDBSelector___repr__(self)
10336 
10337  def get_from(o):
10338  return _object_cast_to_CBetaPDBSelector(o)
10339  get_from = staticmethod(get_from)
10340 
10341 CBetaPDBSelector_swigregister = _IMP_atom.CBetaPDBSelector_swigregister
10342 CBetaPDBSelector_swigregister(CBetaPDBSelector)
10343 
10344 class CPDBSelector(NonAlternativePDBSelector):
10345  """Proxy of C++ IMP::atom::CPDBSelector class"""
10346  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10347  def __init__(self, name="CPDBSelector%1%"):
10348  """
10349  __init__(IMP::atom::CPDBSelector self, std::string name="CPDBSelector%1%") -> CPDBSelector
10350  __init__(IMP::atom::CPDBSelector self) -> CPDBSelector
10351  """
10352  this = _IMP_atom.new_CPDBSelector(name)
10353  try: self.this.append(this)
10354  except: self.this = this
10355  def __str__(self):
10356  """__str__(CPDBSelector self) -> std::string"""
10357  return _IMP_atom.CPDBSelector___str__(self)
10358 
10359  def __repr__(self):
10360  """__repr__(CPDBSelector self) -> std::string"""
10361  return _IMP_atom.CPDBSelector___repr__(self)
10362 
10363  def get_from(o):
10364  return _object_cast_to_CPDBSelector(o)
10365  get_from = staticmethod(get_from)
10366 
10367 CPDBSelector_swigregister = _IMP_atom.CPDBSelector_swigregister
10368 CPDBSelector_swigregister(CPDBSelector)
10369 
10370 class NPDBSelector(NonAlternativePDBSelector):
10371  """Proxy of C++ IMP::atom::NPDBSelector class"""
10372  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10373  def __init__(self, name="NPDBSelector%1%"):
10374  """
10375  __init__(IMP::atom::NPDBSelector self, std::string name="NPDBSelector%1%") -> NPDBSelector
10376  __init__(IMP::atom::NPDBSelector self) -> NPDBSelector
10377  """
10378  this = _IMP_atom.new_NPDBSelector(name)
10379  try: self.this.append(this)
10380  except: self.this = this
10381  def __str__(self):
10382  """__str__(NPDBSelector self) -> std::string"""
10383  return _IMP_atom.NPDBSelector___str__(self)
10384 
10385  def __repr__(self):
10386  """__repr__(NPDBSelector self) -> std::string"""
10387  return _IMP_atom.NPDBSelector___repr__(self)
10388 
10389  def get_from(o):
10390  return _object_cast_to_NPDBSelector(o)
10391  get_from = staticmethod(get_from)
10392 
10393 NPDBSelector_swigregister = _IMP_atom.NPDBSelector_swigregister
10394 NPDBSelector_swigregister(NPDBSelector)
10395 
10396 class AllPDBSelector(PDBSelector):
10397  """Proxy of C++ IMP::atom::AllPDBSelector class"""
10398  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10399  def __init__(self, name="AllPDBSelector%1%"):
10400  """
10401  __init__(IMP::atom::AllPDBSelector self, std::string name="AllPDBSelector%1%") -> AllPDBSelector
10402  __init__(IMP::atom::AllPDBSelector self) -> AllPDBSelector
10403  """
10404  this = _IMP_atom.new_AllPDBSelector(name)
10405  try: self.this.append(this)
10406  except: self.this = this
10407  def get_version_info(self):
10408  """get_version_info(AllPDBSelector self) -> VersionInfo"""
10409  return _IMP_atom.AllPDBSelector_get_version_info(self)
10410 
10411  def __str__(self):
10412  """__str__(AllPDBSelector self) -> std::string"""
10413  return _IMP_atom.AllPDBSelector___str__(self)
10414 
10415  def __repr__(self):
10416  """__repr__(AllPDBSelector self) -> std::string"""
10417  return _IMP_atom.AllPDBSelector___repr__(self)
10418 
10419  def get_from(o):
10420  return _object_cast_to_AllPDBSelector(o)
10421  get_from = staticmethod(get_from)
10422 
10423 AllPDBSelector_swigregister = _IMP_atom.AllPDBSelector_swigregister
10424 AllPDBSelector_swigregister(AllPDBSelector)
10425 
10426 class ChainPDBSelector(NonAlternativePDBSelector):
10427  """Proxy of C++ IMP::atom::ChainPDBSelector class"""
10428  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10429  def __init__(self, *args):
10430  """
10431  __init__(IMP::atom::ChainPDBSelector self, std::string const & chains, std::string name="ChainPDBSelector%1%") -> ChainPDBSelector
10432  __init__(IMP::atom::ChainPDBSelector self, std::string const & chains) -> ChainPDBSelector
10433  """
10434  this = _IMP_atom.new_ChainPDBSelector(*args)
10435  try: self.this.append(this)
10436  except: self.this = this
10437  def __str__(self):
10438  """__str__(ChainPDBSelector self) -> std::string"""
10439  return _IMP_atom.ChainPDBSelector___str__(self)
10440 
10441  def __repr__(self):
10442  """__repr__(ChainPDBSelector self) -> std::string"""
10443  return _IMP_atom.ChainPDBSelector___repr__(self)
10444 
10445  def get_from(o):
10446  return _object_cast_to_ChainPDBSelector(o)
10447  get_from = staticmethod(get_from)
10448 
10449 ChainPDBSelector_swigregister = _IMP_atom.ChainPDBSelector_swigregister
10450 ChainPDBSelector_swigregister(ChainPDBSelector)
10451 
10452 class WaterPDBSelector(NonAlternativePDBSelector):
10453  """Proxy of C++ IMP::atom::WaterPDBSelector class"""
10454  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10455  def __init__(self, name="WaterPDBSelector%1%"):
10456  """
10457  __init__(IMP::atom::WaterPDBSelector self, std::string name="WaterPDBSelector%1%") -> WaterPDBSelector
10458  __init__(IMP::atom::WaterPDBSelector self) -> WaterPDBSelector
10459  """
10460  this = _IMP_atom.new_WaterPDBSelector(name)
10461  try: self.this.append(this)
10462  except: self.this = this
10463  def __str__(self):
10464  """__str__(WaterPDBSelector self) -> std::string"""
10465  return _IMP_atom.WaterPDBSelector___str__(self)
10466 
10467  def __repr__(self):
10468  """__repr__(WaterPDBSelector self) -> std::string"""
10469  return _IMP_atom.WaterPDBSelector___repr__(self)
10470 
10471  def get_from(o):
10472  return _object_cast_to_WaterPDBSelector(o)
10473  get_from = staticmethod(get_from)
10474 
10475 WaterPDBSelector_swigregister = _IMP_atom.WaterPDBSelector_swigregister
10476 WaterPDBSelector_swigregister(WaterPDBSelector)
10477 
10478 class HydrogenPDBSelector(NonAlternativePDBSelector):
10479  """Proxy of C++ IMP::atom::HydrogenPDBSelector class"""
10480  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10481  def __init__(self, name="HydrogenPDBSelector%1%"):
10482  """
10483  __init__(IMP::atom::HydrogenPDBSelector self, std::string name="HydrogenPDBSelector%1%") -> HydrogenPDBSelector
10484  __init__(IMP::atom::HydrogenPDBSelector self) -> HydrogenPDBSelector
10485  """
10486  this = _IMP_atom.new_HydrogenPDBSelector(name)
10487  try: self.this.append(this)
10488  except: self.this = this
10489  def __str__(self):
10490  """__str__(HydrogenPDBSelector self) -> std::string"""
10491  return _IMP_atom.HydrogenPDBSelector___str__(self)
10492 
10493  def __repr__(self):
10494  """__repr__(HydrogenPDBSelector self) -> std::string"""
10495  return _IMP_atom.HydrogenPDBSelector___repr__(self)
10496 
10497  def get_from(o):
10498  return _object_cast_to_HydrogenPDBSelector(o)
10499  get_from = staticmethod(get_from)
10500 
10501 HydrogenPDBSelector_swigregister = _IMP_atom.HydrogenPDBSelector_swigregister
10502 HydrogenPDBSelector_swigregister(HydrogenPDBSelector)
10503 
10504 class NonWaterNonHydrogenPDBSelector(NonAlternativePDBSelector):
10505  """Proxy of C++ IMP::atom::NonWaterNonHydrogenPDBSelector class"""
10506  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10507  def __init__(self, *args):
10508  """
10509  __init__(IMP::atom::NonWaterNonHydrogenPDBSelector self, std::string name) -> NonWaterNonHydrogenPDBSelector
10510  __init__(IMP::atom::NonWaterNonHydrogenPDBSelector self) -> NonWaterNonHydrogenPDBSelector
10511  """
10512  this = _IMP_atom.new_NonWaterNonHydrogenPDBSelector(*args)
10513  try: self.this.append(this)
10514  except: self.this = this
10515  def __str__(self):
10516  """__str__(NonWaterNonHydrogenPDBSelector self) -> std::string"""
10517  return _IMP_atom.NonWaterNonHydrogenPDBSelector___str__(self)
10518 
10519  def __repr__(self):
10520  """__repr__(NonWaterNonHydrogenPDBSelector self) -> std::string"""
10521  return _IMP_atom.NonWaterNonHydrogenPDBSelector___repr__(self)
10522 
10523  def get_from(o):
10524  return _object_cast_to_NonWaterNonHydrogenPDBSelector(o)
10525  get_from = staticmethod(get_from)
10526 
10527 NonWaterNonHydrogenPDBSelector_swigregister = _IMP_atom.NonWaterNonHydrogenPDBSelector_swigregister
10528 NonWaterNonHydrogenPDBSelector_swigregister(NonWaterNonHydrogenPDBSelector)
10529 
10530 class NonWaterPDBSelector(NonAlternativePDBSelector):
10531  """Proxy of C++ IMP::atom::NonWaterPDBSelector class"""
10532  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10533  def __init__(self, *args):
10534  """
10535  __init__(IMP::atom::NonWaterPDBSelector self, std::string name) -> NonWaterPDBSelector
10536  __init__(IMP::atom::NonWaterPDBSelector self) -> NonWaterPDBSelector
10537  """
10538  this = _IMP_atom.new_NonWaterPDBSelector(*args)
10539  try: self.this.append(this)
10540  except: self.this = this
10541  def __str__(self):
10542  """__str__(NonWaterPDBSelector self) -> std::string"""
10543  return _IMP_atom.NonWaterPDBSelector___str__(self)
10544 
10545  def __repr__(self):
10546  """__repr__(NonWaterPDBSelector self) -> std::string"""
10547  return _IMP_atom.NonWaterPDBSelector___repr__(self)
10548 
10549  def get_from(o):
10550  return _object_cast_to_NonWaterPDBSelector(o)
10551  get_from = staticmethod(get_from)
10552 
10553 NonWaterPDBSelector_swigregister = _IMP_atom.NonWaterPDBSelector_swigregister
10554 NonWaterPDBSelector_swigregister(NonWaterPDBSelector)
10555 
10556 class BackbonePDBSelector(NonWaterNonHydrogenPDBSelector):
10557  """Proxy of C++ IMP::atom::BackbonePDBSelector class"""
10558  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10559  def __init__(self, name="BackbonePDBSelector%1%"):
10560  """
10561  __init__(IMP::atom::BackbonePDBSelector self, std::string name="BackbonePDBSelector%1%") -> BackbonePDBSelector
10562  __init__(IMP::atom::BackbonePDBSelector self) -> BackbonePDBSelector
10563  """
10564  this = _IMP_atom.new_BackbonePDBSelector(name)
10565  try: self.this.append(this)
10566  except: self.this = this
10567  def __str__(self):
10568  """__str__(BackbonePDBSelector self) -> std::string"""
10569  return _IMP_atom.BackbonePDBSelector___str__(self)
10570 
10571  def __repr__(self):
10572  """__repr__(BackbonePDBSelector self) -> std::string"""
10573  return _IMP_atom.BackbonePDBSelector___repr__(self)
10574 
10575  def get_from(o):
10576  return _object_cast_to_BackbonePDBSelector(o)
10577  get_from = staticmethod(get_from)
10578 
10579 BackbonePDBSelector_swigregister = _IMP_atom.BackbonePDBSelector_swigregister
10580 BackbonePDBSelector_swigregister(BackbonePDBSelector)
10581 
10582 class PPDBSelector(NonAlternativePDBSelector):
10583  """Proxy of C++ IMP::atom::PPDBSelector class"""
10584  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10585  def __init__(self, name="PPDBSelector%1%"):
10586  """
10587  __init__(IMP::atom::PPDBSelector self, std::string name="PPDBSelector%1%") -> PPDBSelector
10588  __init__(IMP::atom::PPDBSelector self) -> PPDBSelector
10589  """
10590  this = _IMP_atom.new_PPDBSelector(name)
10591  try: self.this.append(this)
10592  except: self.this = this
10593  def __str__(self):
10594  """__str__(PPDBSelector self) -> std::string"""
10595  return _IMP_atom.PPDBSelector___str__(self)
10596 
10597  def __repr__(self):
10598  """__repr__(PPDBSelector self) -> std::string"""
10599  return _IMP_atom.PPDBSelector___repr__(self)
10600 
10601  def get_from(o):
10602  return _object_cast_to_PPDBSelector(o)
10603  get_from = staticmethod(get_from)
10604 
10605 PPDBSelector_swigregister = _IMP_atom.PPDBSelector_swigregister
10606 PPDBSelector_swigregister(PPDBSelector)
10607 
10608 class AndPDBSelector(PDBSelector):
10609  """Proxy of C++ IMP::atom::AndPDBSelector class"""
10610  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10611  def get_version_info(self):
10612  """get_version_info(AndPDBSelector self) -> VersionInfo"""
10613  return _IMP_atom.AndPDBSelector_get_version_info(self)
10614 
10615  def __init__(self, *args):
10616  """__init__(IMP::atom::AndPDBSelector self, PDBSelector a, PDBSelector b) -> AndPDBSelector"""
10617  this = _IMP_atom.new_AndPDBSelector(*args)
10618  try: self.this.append(this)
10619  except: self.this = this
10620  def __str__(self):
10621  """__str__(AndPDBSelector self) -> std::string"""
10622  return _IMP_atom.AndPDBSelector___str__(self)
10623 
10624  def __repr__(self):
10625  """__repr__(AndPDBSelector self) -> std::string"""
10626  return _IMP_atom.AndPDBSelector___repr__(self)
10627 
10628  def get_from(o):
10629  return _object_cast_to_AndPDBSelector(o)
10630  get_from = staticmethod(get_from)
10631 
10632 AndPDBSelector_swigregister = _IMP_atom.AndPDBSelector_swigregister
10633 AndPDBSelector_swigregister(AndPDBSelector)
10634 
10635 class OrPDBSelector(PDBSelector):
10636  """Proxy of C++ IMP::atom::OrPDBSelector class"""
10637  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10638  def get_version_info(self):
10639  """get_version_info(OrPDBSelector self) -> VersionInfo"""
10640  return _IMP_atom.OrPDBSelector_get_version_info(self)
10641 
10642  def __init__(self, *args):
10643  """__init__(IMP::atom::OrPDBSelector self, PDBSelector a, PDBSelector b) -> OrPDBSelector"""
10644  this = _IMP_atom.new_OrPDBSelector(*args)
10645  try: self.this.append(this)
10646  except: self.this = this
10647  def __str__(self):
10648  """__str__(OrPDBSelector self) -> std::string"""
10649  return _IMP_atom.OrPDBSelector___str__(self)
10650 
10651  def __repr__(self):
10652  """__repr__(OrPDBSelector self) -> std::string"""
10653  return _IMP_atom.OrPDBSelector___repr__(self)
10654 
10655  def get_from(o):
10656  return _object_cast_to_OrPDBSelector(o)
10657  get_from = staticmethod(get_from)
10658 
10659 OrPDBSelector_swigregister = _IMP_atom.OrPDBSelector_swigregister
10660 OrPDBSelector_swigregister(OrPDBSelector)
10661 
10662 class NotPDBSelector(PDBSelector):
10663  """Proxy of C++ IMP::atom::NotPDBSelector class"""
10664  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10665  def get_version_info(self):
10666  """get_version_info(NotPDBSelector self) -> VersionInfo"""
10667  return _IMP_atom.NotPDBSelector_get_version_info(self)
10668 
10669  def __init__(self, *args):
10670  """__init__(IMP::atom::NotPDBSelector self, PDBSelector a) -> NotPDBSelector"""
10671  this = _IMP_atom.new_NotPDBSelector(*args)
10672  try: self.this.append(this)
10673  except: self.this = this
10674  def __str__(self):
10675  """__str__(NotPDBSelector self) -> std::string"""
10676  return _IMP_atom.NotPDBSelector___str__(self)
10677 
10678  def __repr__(self):
10679  """__repr__(NotPDBSelector self) -> std::string"""
10680  return _IMP_atom.NotPDBSelector___repr__(self)
10681 
10682  def get_from(o):
10683  return _object_cast_to_NotPDBSelector(o)
10684  get_from = staticmethod(get_from)
10685 
10686 NotPDBSelector_swigregister = _IMP_atom.NotPDBSelector_swigregister
10687 NotPDBSelector_swigregister(NotPDBSelector)
10688 
10689 
10690 def get_default_pdb_selector():
10691  """get_default_pdb_selector() -> PDBSelector"""
10692  return _IMP_atom.get_default_pdb_selector()
10693 
10694 def read_pdb(*args):
10695  """
10696  read_pdb(TextInput input, Model model, PDBSelector selector=IMP::atom::get_default_pdb_selector(),
10697  bool select_first_model=True, bool no_radii=False) -> Hierarchy
10698  read_pdb(TextInput input, Model model, PDBSelector selector=IMP::atom::get_default_pdb_selector(),
10699  bool select_first_model=True) -> Hierarchy
10700  read_pdb(TextInput input, Model model, PDBSelector selector=IMP::atom::get_default_pdb_selector()) -> Hierarchy
10701  read_pdb(TextInput input, Model model) -> Hierarchy
10702  read_pdb(TextInput input, int model, Hierarchy h)
10703  """
10704  return _IMP_atom.read_pdb(*args)
10705 
10706 def read_multimodel_pdb(*args):
10707  """
10708  read_multimodel_pdb(TextInput input, Model model, PDBSelector selector=IMP::atom::get_default_pdb_selector(),
10709  bool noradii=False) -> IMP::atom::Hierarchies
10710  read_multimodel_pdb(TextInput input, Model model, PDBSelector selector=IMP::atom::get_default_pdb_selector()) -> IMP::atom::Hierarchies
10711  read_multimodel_pdb(TextInput input, Model model) -> IMP::atom::Hierarchies
10712  """
10713  return _IMP_atom.read_multimodel_pdb(*args)
10714 
10715 def write_pdb(*args):
10716  """
10717  write_pdb(Selection mhd, TextOutput out, unsigned int model=1)
10718  write_pdb(Selection mhd, TextOutput out)
10719  """
10720  return _IMP_atom.write_pdb(*args)
10721 
10722 def write_pdb_of_c_alphas(*args):
10723  """
10724  write_pdb_of_c_alphas(Selection mhd, TextOutput out, unsigned int model=1)
10725  write_pdb_of_c_alphas(Selection mhd, TextOutput out)
10726  """
10727  return _IMP_atom.write_pdb_of_c_alphas(*args)
10728 
10729 def write_multimodel_pdb(*args):
10730  """write_multimodel_pdb(IMP::atom::Hierarchies const & mhd, TextOutput out)"""
10731  return _IMP_atom.write_multimodel_pdb(*args)
10732 
10733 def get_pdb_string(*args):
10734  """
10735  get_pdb_string(Vector3D v, int index=-1, AtomType at=AT_CA, ResidueType rt=ALA, char chain=' ',
10736  int res_index=1, char res_icode=' ', double occpancy=1.00, double tempFactor=0.00,
10737  IMP::atom::Element e=C) -> std::string
10738  get_pdb_string(Vector3D v, int index=-1, AtomType at=AT_CA, ResidueType rt=ALA, char chain=' ',
10739  int res_index=1, char res_icode=' ', double occpancy=1.00, double tempFactor=0.00) -> std::string
10740  get_pdb_string(Vector3D v, int index=-1, AtomType at=AT_CA, ResidueType rt=ALA, char chain=' ',
10741  int res_index=1, char res_icode=' ', double occpancy=1.00) -> std::string
10742  get_pdb_string(Vector3D v, int index=-1, AtomType at=AT_CA, ResidueType rt=ALA, char chain=' ',
10743  int res_index=1, char res_icode=' ') -> std::string
10744  get_pdb_string(Vector3D v, int index=-1, AtomType at=AT_CA, ResidueType rt=ALA, char chain=' ',
10745  int res_index=1) -> std::string
10746  get_pdb_string(Vector3D v, int index=-1, AtomType at=AT_CA, ResidueType rt=ALA, char chain=' ') -> std::string
10747  get_pdb_string(Vector3D v, int index=-1, AtomType at=AT_CA, ResidueType rt=ALA) -> std::string
10748  get_pdb_string(Vector3D v, int index=-1, AtomType at=AT_CA) -> std::string
10749  get_pdb_string(Vector3D v, int index=-1) -> std::string
10750  get_pdb_string(Vector3D v) -> std::string
10751  """
10752  return _IMP_atom.get_pdb_string(*args)
10753 
10754 def get_pdb_conect_record_string(*args):
10755  """get_pdb_conect_record_string(int arg1, int arg2) -> std::string"""
10756  return _IMP_atom.get_pdb_conect_record_string(*args)
10757 class WritePDBOptimizerState(IMP.kernel.OptimizerState):
10758  """Proxy of C++ IMP::atom::WritePDBOptimizerState class"""
10759  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10760  def __init__(self, *args):
10761  """
10762  __init__(IMP::atom::WritePDBOptimizerState self, Model m, _ParticleIndexesAdaptor pis, std::string filename) -> WritePDBOptimizerState
10763  __init__(IMP::atom::WritePDBOptimizerState self, IMP::atom::Hierarchies const mh, std::string filename) -> WritePDBOptimizerState
10764  """
10765  this = _IMP_atom.new_WritePDBOptimizerState(*args)
10766  try: self.this.append(this)
10767  except: self.this = this
10768  def get_version_info(self):
10769  """get_version_info(WritePDBOptimizerState self) -> VersionInfo"""
10770  return _IMP_atom.WritePDBOptimizerState_get_version_info(self)
10771 
10772  def __str__(self):
10773  """__str__(WritePDBOptimizerState self) -> std::string"""
10774  return _IMP_atom.WritePDBOptimizerState___str__(self)
10775 
10776  def __repr__(self):
10777  """__repr__(WritePDBOptimizerState self) -> std::string"""
10778  return _IMP_atom.WritePDBOptimizerState___repr__(self)
10779 
10780  def get_from(o):
10781  return _object_cast_to_WritePDBOptimizerState(o)
10782  get_from = staticmethod(get_from)
10783 
10784 WritePDBOptimizerState_swigregister = _IMP_atom.WritePDBOptimizerState_swigregister
10785 WritePDBOptimizerState_swigregister(WritePDBOptimizerState)
10786 
10787 
10788 def get_kt(*args):
10789  """get_kt(double T) -> double"""
10790  return _IMP_atom.get_kt(*args)
10791 
10792 def show_molecular_hierarchy(*args):
10793  """
10794  show_molecular_hierarchy(Hierarchy h, _ostream out=std::cout) -> _ostream
10795  show_molecular_hierarchy(Hierarchy h) -> _ostream
10796  """
10797  return _IMP_atom.show_molecular_hierarchy(*args)
10798 class CHARMMBond(object):
10799  """Proxy of C++ IMP::atom::CHARMMConnection<(2)> class"""
10800  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10801  __repr__ = _swig_repr
10802  def __init__(self, *args):
10803  """__init__(IMP::atom::CHARMMConnection<(2)> self, IMP::Strings const & atoms) -> CHARMMBond"""
10804  this = _IMP_atom.new_CHARMMBond(*args)
10805  try: self.this.append(this)
10806  except: self.this = this
10807  def get_endpoint(self, *args):
10808  """get_endpoint(CHARMMBond self, unsigned int i) -> CHARMMBondEndpoint"""
10809  return _IMP_atom.CHARMMBond_get_endpoint(self, *args)
10810 
10811  def get_contains_atom(self, *args):
10812  """get_contains_atom(CHARMMBond self, std::string name) -> bool"""
10813  return _IMP_atom.CHARMMBond_get_contains_atom(self, *args)
10814 
10815  def show(self, *args):
10816  """
10817  show(CHARMMBond self, _ostream out=std::cout)
10818  show(CHARMMBond self)
10819  """
10820  return _IMP_atom.CHARMMBond_show(self, *args)
10821 
10822  __swig_destroy__ = _IMP_atom.delete_CHARMMBond
10823  __del__ = lambda self : None;
10824 CHARMMBond_swigregister = _IMP_atom.CHARMMBond_swigregister
10825 CHARMMBond_swigregister(CHARMMBond)
10826 
10827 class CHARMMAngle(object):
10828  """Proxy of C++ IMP::atom::CHARMMConnection<(3)> class"""
10829  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10830  __repr__ = _swig_repr
10831  def __init__(self, *args):
10832  """__init__(IMP::atom::CHARMMConnection<(3)> self, IMP::Strings const & atoms) -> CHARMMAngle"""
10833  this = _IMP_atom.new_CHARMMAngle(*args)
10834  try: self.this.append(this)
10835  except: self.this = this
10836  def get_endpoint(self, *args):
10837  """get_endpoint(CHARMMAngle self, unsigned int i) -> CHARMMBondEndpoint"""
10838  return _IMP_atom.CHARMMAngle_get_endpoint(self, *args)
10839 
10840  def get_contains_atom(self, *args):
10841  """get_contains_atom(CHARMMAngle self, std::string name) -> bool"""
10842  return _IMP_atom.CHARMMAngle_get_contains_atom(self, *args)
10843 
10844  def show(self, *args):
10845  """
10846  show(CHARMMAngle self, _ostream out=std::cout)
10847  show(CHARMMAngle self)
10848  """
10849  return _IMP_atom.CHARMMAngle_show(self, *args)
10850 
10851  __swig_destroy__ = _IMP_atom.delete_CHARMMAngle
10852  __del__ = lambda self : None;
10853 CHARMMAngle_swigregister = _IMP_atom.CHARMMAngle_swigregister
10854 CHARMMAngle_swigregister(CHARMMAngle)
10855 
10856 
10857 def _get_native_overlap_cpp(*args):
10858  """
10859  _get_native_overlap_cpp(IMP::base::Vector< IMP::algebra::VectorD< 3 > > const & m1, IMP::base::Vector< IMP::algebra::VectorD< 3 > > const & m2,
10860  double threshold) -> double
10861  """
10862  return _IMP_atom._get_native_overlap_cpp(*args)
10863 
10864 def _get_drmsd_cpp(*args):
10865  """_get_drmsd_cpp(IMP::base::Vector< IMP::algebra::VectorD< 3 > > const & m0, IMP::base::Vector< IMP::algebra::VectorD< 3 > > const & m1) -> double"""
10866  return _IMP_atom._get_drmsd_cpp(*args)
10867 
10868 def _get_drmsd_Q_cpp(*args):
10869  """
10870  _get_drmsd_Q_cpp(IMP::base::Vector< IMP::algebra::VectorD< 3 > > const & m0, IMP::base::Vector< IMP::algebra::VectorD< 3 > > const & m1,
10871  double threshold) -> double
10872  """
10873  return _IMP_atom._get_drmsd_Q_cpp(*args)
10874 
10875 def _get_drms_cpp(*args):
10876  """_get_drms_cpp(IMP::base::Vector< IMP::algebra::VectorD< 3 > > const & m1, IMP::base::Vector< IMP::algebra::VectorD< 3 > > const & m2) -> double"""
10877  return _IMP_atom._get_drms_cpp(*args)
10878 
10879 def _get_rigid_bodies_drms_cpp(*args):
10880  """
10881  _get_rigid_bodies_drms_cpp(IMP::base::Vector< IMP::algebra::VectorD< 3 > > const & m1, IMP::base::Vector< IMP::algebra::VectorD< 3 > > const & m2,
10882  IMP::IntRanges const & ranges) -> double
10883  """
10884  return _IMP_atom._get_rigid_bodies_drms_cpp(*args)
10885 def get_native_overlap(a, b, d):
10886  va= [IMP.algebra.get_vector(x) for x in a]
10887  vb= [IMP.algebra.get_vector(x) for x in b]
10888  return _get_native_overlap_cpp(va, vb, d)
10889 
10890 def get_drmsd(a, b):
10891  va= [IMP.algebra.get_vector(x) for x in a]
10892  vb= [IMP.algebra.get_vector(x) for x in b]
10893  return _get_drmsd_cpp(va, vb)
10894 
10895 def get_drms(a, b):
10896  va= [IMP.algebra.get_vector(x) for x in a]
10897  vb= [IMP.algebra.get_vector(x) for x in b]
10898  return _get_drms_cpp(va, vb)
10899 
10900 def get_drmsd_Q(a, b, t):
10901  va= [IMP.algebra.get_vector(x) for x in a]
10902  vb= [IMP.algebra.get_vector(x) for x in b]
10903  return _get_drmsd_Q_cpp(va, vb, t)
10904 
10905 def get_rigid_bodies_drms(a, b, ranges):
10906  va= [IMP.algebra.get_vector(x) for x in a]
10907  vb= [IMP.algebra.get_vector(x) for x in b]
10908  #rs = [IMP.IntRange(r[0],r[1]) for r in ranges]
10909  return _get_rigid_bodies_drms_cpp(va, vb, ranges)
10910 
10911 
10912 
10913 def get_module_version():
10914  """get_module_version() -> std::string const"""
10915  return _IMP_atom.get_module_version()
10916 
10917 def get_example_path(*args):
10918  """get_example_path(std::string fname) -> std::string"""
10919  return _IMP_atom.get_example_path(*args)
10920 
10921 def get_data_path(*args):
10922  """get_data_path(std::string fname) -> std::string"""
10923  return _IMP_atom.get_data_path(*args)
10924 from . import _version_check
10925 _version_check.check_version(get_module_version())
10926 
10927 
10928 
A base class for geometry contained in particles.
AtomType add_atom_type(std::string name, Element e)
Create a new AtomType.
Hierarchies get_leaves(Hierarchy h)
double get_kt(double T)
Return kT for a given temperature.
double get_volume_from_residue_type(ResidueType rt)
Return an estimate for the volume of a given residue.
CHARMMParameters * get_heavy_atom_CHARMM_parameters()
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)
Hierarchies read_multimodel_pdb(base::TextInput input, kernel::Model *model, PDBSelector *selector=get_default_pdb_selector())
Chain get_chain(Hierarchy h)
setup
Definition: setup.py:1
Atoms get_phi_dihedral_atoms(Residue rd)
Return the atoms comprising the phi dihedral.
void write_pdb(const Selection &mhd, base::TextOutput out, unsigned int model=1)
void show_molecular_hierarchy(Hierarchy h)
Print out the molecular hierarchy.
double get_drms(const Vector3DsOrXYZs0 &m1, const Vector3DsOrXYZs1 &m2)
double get_einstein_rotational_diffusion_coefficient(double r)
algebra::Sphere3D get_bounding_sphere(const Hierarchy &h)
kernel::ParticlesTemp get_order(const Subset &s, const SubsetFilterTables &sft)
void remove_charmm_untyped_atoms(Hierarchy hierarchy)
Remove any atom from the Hierarchy that does not have a CHARMM type.
Ints get_index(const kernel::ParticlesTemp &particles, const Subset &subset, const Subsets &excluded)
double get_protein_density_from_reference(ProteinDensityReference densityReference)
Hierarchy create_simplified_from_volume(Hierarchy h, double resolution)
void setup_as_approximation(kernel::Particle *h, const kernel::ParticlesTemp &other)
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)
Hierarchy create_clone(Hierarchy d)
Clone the Hierarchy.
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:88
SecondaryStructureResidues setup_coarse_secondary_structure_residues(const kernel::Particles &ssr_ps, kernel::Model *mdl, int coarse_factor, int start_res_num, bool winner_takes_all_per_res=false)
double get_mass(ResidueType c)
Get the mass from the residue type.
Shared optimizer state that is invoked upon commitment of new coordinates.
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.
ParticlesTemp get_particles(kernel::Model *m, const ParticleIndexes &ps)
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.
double get_resolution(kernel::Model *m, kernel::ParticleIndex pi)
void set_check_level(CheckLevel tf)
Control runtime checks in the code.
Definition: exception.h:73
Bonds get_internal_bonds(Hierarchy mhd)
Get the bonds internal to this tree.
std::string get_example_path(std::string file_name)
Return the path to installed example data for this module.
Low level functionality (logging, error handling, profiling, command line flags etc) that is used by ...
A shared container for Pairs.
void write_multimodel_pdb(const Hierarchies &mhd, base::TextOutput out)
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.
Atoms get_charmm_untyped_atoms(Hierarchy hierarchy)
Get all atoms in the Hierarchy that do not have CHARMM types.
kernel::Restraint * create_distance_restraint(const Selection &n0, const Selection &n1, double x0, double k, std::string name="Distance%1%")
bool get_is_heterogen(Hierarchy h)
Return true if the piece of hierarchy should be classified as a heterogen.
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.
A base class for modifiers of kernel::ParticlesTemp.
kernel::Restraint * create_connectivity_restraint(const Selections &s, double k, std::string name="Connectivity%1%")
Create a restraint connecting the selections.
Bond create_custom_bond(Bonded a, Bonded b, Float length, Float stiffness=-1)
Connect the two wrapped particles by a custom bond.
double get_kd(double na, double nb, double nab, double volume)
Definition: estimates.h:94
Hierarchy read_pdb(base::TextInput input, kernel::Model *model, PDBSelector *selector=get_default_pdb_selector(), bool select_first_model=true)
Abstract class for scoring object(s) of type ParticlePair.
double get_diffusion_angle(double D, double dtfs)
bool get_atom_type_exists(std::string name)
Return true if that atom type already exists.
double get_volume(const BoundingBoxD< D > &bb)
Definition: BoundingBoxD.h:163
Hierarchy get_root(Hierarchy h)
Return the root of the hierarchy.
double get_rotational_diffusion_coefficient(const algebra::Rotation3Ds &displacements, double dt)
Hierarchy create_fragment(const Hierarchies &ps)
Create a fragment containing the specified nodes.
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.
Atoms get_psi_dihedral_atoms(Residue rd)
Return the atoms comprising the psi dihedral.
void write_pdb_of_c_alphas(const Selection &mhd, base::TextOutput out, unsigned int model=1)
Write a hierarchy to a PDB as C_alpha atoms.
Bond create_bond(Bonded a, Bonded b, Int t)
Connect the two wrapped particles by a bond.
Hierarchies get_by_type(Hierarchy mhd, GetByType t)
void add_particles(RMF::FileHandle fh, const kernel::ParticlesTemp &hs)
Base functionality and abstract base classes for representation, scoring and sampling.
std::string show_graphviz(Graph g)
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.
A restraint is a term in an IMP ScoringFunction.
double get_molarity(double n, double volume)
Definition: estimates.h:87
boost::graph HierarchyTree
A graph for representing a Hierarchy so you can view it nicely.
double get_radius_of_gyration(const Vector3Ds &ps)
Return the radius of gyration of a set of points.
Definition: Vector3D.h:65
Hierarchy read_mol2(base::TextInput mol2_file, kernel::Model *model, Mol2Selector *mol2sel=nullptr)
Create a hierarchy from a Mol2 file.
Hierarchy create_clone_one(Hierarchy d)
Clone the node in the Hierarchy.
A decorator for a particle with x,y,z coordinates.
Definition: XYZ.h:30
void write_mol2(Hierarchy rhd, base::TextOutput file_name)
Write a ligand hierarchy as a mol2 file.
Abstract predicate function.
int get_state_index(Hierarchy h)
Walk up the hierarchy to find the current state.
std::string get_data_path(std::string file_name)
Return the full path to installed data.
Common base class for heavy weight IMP objects.
Definition: Object.h:106
Base class for all optimizers.
kernel::Restraint * create_internal_connectivity_restraint(const Selection &s, double k, std::string name="Connectivity%1%")
Create a restraint connecting the selection.
void destroy(Hierarchy d)
Delete the Hierarchy.
void add_protein_ligand_score_data(Hierarchy h)
std::string get_molecule_name(Hierarchy h)
SecondaryStructureResidue setup_coarse_secondary_structure_residue(const kernel::Particles &ssr_ps, kernel::Model *mdl, bool winner_takes_all_per_res=false)
Coarsen some SecondaryStructureResidues.
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.
Basic functionality that is expected to be used by a wide variety of IMP users.
General purpose algebraic and geometric methods that are expected to be used by a wide variety of IMP...
void show(Hierarchy h, std::ostream &out=std::cout)
Print out a molecular hierarchy.
Abstract class for scoring object(s) of type Particle.
Residue get_residue(Atom d, bool nothrow=false)
Return the Residue containing this atom.
kernel::Restraint * create_excluded_volume_restraint(const Hierarchies &hs, double resolution=-1)
Hierarchy create_protein(kernel::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.
void add_dope_score_data(atom::Hierarchy h)
Bond get_bond(Bonded a, Bonded b)
Get the bond between two particles.
base::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
FloatPair get_placement_score(const core::XYZs &source, const core::XYZs &target)
Measure the difference between two placements of the same set of points.
int get_copy_index(Hierarchy h)
Walk up the hierarchy to find the current copy index.
A decorator for helping deal with a 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_rmsd_transforming_first(const Transformation3D &tr, const Vector3DsOrXYZs0 &m1, const Vector3DsOrXYZs1 &m2)
Calculate the root mean square deviation between two sets of 3D points.
char get_chain_id_char(Hierarchy h)
void add_particle(RMF::FileHandle fh, kernel::Particle *hs)
Hierarchy create_simplified_assembly_from_volume(Hierarchy h, double resolution)
CheckLevel get_check_level()
Get the current audit mode.
Definition: exception.h:81
Output IMP model data in various file formats.
std::string get_chain_id(Hierarchy h)
IMP::core::RigidBody create_rigid_body(const Hierarchies &h, std::string name=std::string("created rigid body"))
Rigidify a molecule or collection of molecules.
Abstract class to implement hierarchical methods.
CHARMMParameters * get_all_atom_CHARMM_parameters()
double get_drmsd_Q(const Vector3DsOrXYZs0 &m0, const Vector3DsOrXYZs1 &m1, double threshold)
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.
void add_bonds(Hierarchy d, const ForceFieldParameters *ffp=get_all_atom_CHARMM_parameters())
double get_diffusion_length(double D, double t)
double get_einstein_diffusion_coefficient(double r)
A decorator for a particle with x,y,z coordinates and a radius.
Definition: XYZR.h:27