IMP  2.3.1
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 try:
73  import weakref
74  weakref_proxy = weakref.proxy
75 except:
76  weakref_proxy = lambda x: x
77 
78 
79 class IMP_ATOM_SwigPyIterator(_object):
80  """Proxy of C++ swig::IMP_ATOM_SwigPyIterator class"""
81  __swig_setmethods__ = {}
82  __setattr__ = lambda self, name, value: _swig_setattr(self, IMP_ATOM_SwigPyIterator, name, value)
83  __swig_getmethods__ = {}
84  __getattr__ = lambda self, name: _swig_getattr(self, IMP_ATOM_SwigPyIterator, name)
85  def __init__(self, *args, **kwargs): raise AttributeError("No constructor defined - class is abstract")
86  __repr__ = _swig_repr
87  __swig_destroy__ = _IMP_atom.delete_IMP_ATOM_SwigPyIterator
88  __del__ = lambda self : None;
89  def value(self):
90  """value(IMP_ATOM_SwigPyIterator self) -> PyObject *"""
91  return _IMP_atom.IMP_ATOM_SwigPyIterator_value(self)
92 
93  def incr(self, n=1):
94  """
95  incr(IMP_ATOM_SwigPyIterator self, size_t n=1) -> IMP_ATOM_SwigPyIterator
96  incr(IMP_ATOM_SwigPyIterator self) -> IMP_ATOM_SwigPyIterator
97  """
98  return _IMP_atom.IMP_ATOM_SwigPyIterator_incr(self, n)
99 
100  def decr(self, n=1):
101  """
102  decr(IMP_ATOM_SwigPyIterator self, size_t n=1) -> IMP_ATOM_SwigPyIterator
103  decr(IMP_ATOM_SwigPyIterator self) -> IMP_ATOM_SwigPyIterator
104  """
105  return _IMP_atom.IMP_ATOM_SwigPyIterator_decr(self, n)
106 
107  def distance(self, *args):
108  """distance(IMP_ATOM_SwigPyIterator self, IMP_ATOM_SwigPyIterator x) -> ptrdiff_t"""
109  return _IMP_atom.IMP_ATOM_SwigPyIterator_distance(self, *args)
110 
111  def equal(self, *args):
112  """equal(IMP_ATOM_SwigPyIterator self, IMP_ATOM_SwigPyIterator x) -> bool"""
113  return _IMP_atom.IMP_ATOM_SwigPyIterator_equal(self, *args)
114 
115  def copy(self):
116  """copy(IMP_ATOM_SwigPyIterator self) -> IMP_ATOM_SwigPyIterator"""
117  return _IMP_atom.IMP_ATOM_SwigPyIterator_copy(self)
118 
119  def next(self):
120  """next(IMP_ATOM_SwigPyIterator self) -> PyObject *"""
121  return _IMP_atom.IMP_ATOM_SwigPyIterator_next(self)
122 
123  def __next__(self):
124  """__next__(IMP_ATOM_SwigPyIterator self) -> PyObject *"""
125  return _IMP_atom.IMP_ATOM_SwigPyIterator___next__(self)
126 
127  def previous(self):
128  """previous(IMP_ATOM_SwigPyIterator self) -> PyObject *"""
129  return _IMP_atom.IMP_ATOM_SwigPyIterator_previous(self)
130 
131  def advance(self, *args):
132  """advance(IMP_ATOM_SwigPyIterator self, ptrdiff_t n) -> IMP_ATOM_SwigPyIterator"""
133  return _IMP_atom.IMP_ATOM_SwigPyIterator_advance(self, *args)
134 
135  def __eq__(self, *args):
136  """__eq__(IMP_ATOM_SwigPyIterator self, IMP_ATOM_SwigPyIterator x) -> bool"""
137  return _IMP_atom.IMP_ATOM_SwigPyIterator___eq__(self, *args)
138 
139  def __ne__(self, *args):
140  """__ne__(IMP_ATOM_SwigPyIterator self, IMP_ATOM_SwigPyIterator x) -> bool"""
141  return _IMP_atom.IMP_ATOM_SwigPyIterator___ne__(self, *args)
142 
143  def __iadd__(self, *args):
144  """__iadd__(IMP_ATOM_SwigPyIterator self, ptrdiff_t n) -> IMP_ATOM_SwigPyIterator"""
145  return _IMP_atom.IMP_ATOM_SwigPyIterator___iadd__(self, *args)
146 
147  def __isub__(self, *args):
148  """__isub__(IMP_ATOM_SwigPyIterator self, ptrdiff_t n) -> IMP_ATOM_SwigPyIterator"""
149  return _IMP_atom.IMP_ATOM_SwigPyIterator___isub__(self, *args)
150 
151  def __add__(self, *args):
152  """__add__(IMP_ATOM_SwigPyIterator self, ptrdiff_t n) -> IMP_ATOM_SwigPyIterator"""
153  return _IMP_atom.IMP_ATOM_SwigPyIterator___add__(self, *args)
154 
155  def __sub__(self, *args):
156  """
157  __sub__(IMP_ATOM_SwigPyIterator self, ptrdiff_t n) -> IMP_ATOM_SwigPyIterator
158  __sub__(IMP_ATOM_SwigPyIterator self, IMP_ATOM_SwigPyIterator x) -> ptrdiff_t
159  """
160  return _IMP_atom.IMP_ATOM_SwigPyIterator___sub__(self, *args)
161 
162  def __iter__(self): return self
163 IMP_ATOM_SwigPyIterator_swigregister = _IMP_atom.IMP_ATOM_SwigPyIterator_swigregister
164 IMP_ATOM_SwigPyIterator_swigregister(IMP_ATOM_SwigPyIterator)
165 
166 _value_types=[]
167 _object_types=[]
168 _raii_types=[]
169 _plural_types=[]
170 
171 IMP_DEBUG = _IMP_atom.IMP_DEBUG
172 IMP_RELEASE = _IMP_atom.IMP_RELEASE
173 IMP_SILENT = _IMP_atom.IMP_SILENT
174 IMP_PROGRESS = _IMP_atom.IMP_PROGRESS
175 IMP_TERSE = _IMP_atom.IMP_TERSE
176 IMP_VERBOSE = _IMP_atom.IMP_VERBOSE
177 IMP_MEMORY = _IMP_atom.IMP_MEMORY
178 IMP_NONE = _IMP_atom.IMP_NONE
179 IMP_USAGE = _IMP_atom.IMP_USAGE
180 IMP_INTERNAL = _IMP_atom.IMP_INTERNAL
181 IMP_BASE_HAS_LOG4CXX = _IMP_atom.IMP_BASE_HAS_LOG4CXX
182 IMP_COMPILER_HAS_AUTO = _IMP_atom.IMP_COMPILER_HAS_AUTO
183 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_atom.IMP_COMPILER_HAS_DEBUG_VECTOR
184 IMP_BASE_HAS_BOOST_RANDOM = _IMP_atom.IMP_BASE_HAS_BOOST_RANDOM
185 IMP_BASE_HAS_GPERFTOOLS = _IMP_atom.IMP_BASE_HAS_GPERFTOOLS
186 IMP_BASE_HAS_TCMALLOC_HEAPCHECKER = _IMP_atom.IMP_BASE_HAS_TCMALLOC_HEAPCHECKER
187 IMP_BASE_HAS_TCMALLOC_HEAPPROFILER = _IMP_atom.IMP_BASE_HAS_TCMALLOC_HEAPPROFILER
188 IMPBASE_SHOW_WARNINGS = _IMP_atom.IMPBASE_SHOW_WARNINGS
189 import sys
190 class _DirectorObjects(object):
191  """@internal Simple class to keep references to director objects
192  to prevent premature deletion."""
193  def __init__(self):
194  self._objects = []
195  def register(self, obj):
196  """Take a reference to a director object; will only work for
197  refcounted C++ classes"""
198  if hasattr(obj, 'get_ref_count'):
199  self._objects.append(obj)
200  def cleanup(self):
201  """Only drop our reference and allow cleanup by Python if no other
202  Python references exist (we hold 3 references: one in self._objects,
203  one in x, and one in the argument list for getrefcount) *and* no
204  other C++ references exist (the Python object always holds one)"""
205  objs = [x for x in self._objects if sys.getrefcount(x) > 3 \
206  or x.get_ref_count() > 1]
207 
208 
209  self._objects = objs
210  def get_object_count(self):
211  """Get number of director objects (useful for testing only)"""
212  return len(self._objects)
213 _director_objects = _DirectorObjects()
214 
215 DEFAULT_CHECK = _IMP_atom.DEFAULT_CHECK
216 NONE = _IMP_atom.NONE
217 USAGE = _IMP_atom.USAGE
218 USAGE_AND_INTERNAL = _IMP_atom.USAGE_AND_INTERNAL
219 
220 def set_check_level(*args):
221  """set_check_level(IMP::base::CheckLevel tf)"""
222  return _IMP_atom.set_check_level(*args)
223 
224 def get_check_level():
225  """get_check_level() -> IMP::base::CheckLevel"""
226  return _IMP_atom.get_check_level()
227 class _ostream(_object):
228  """Proxy of C++ std::ostream class"""
229  __swig_setmethods__ = {}
230  __setattr__ = lambda self, name, value: _swig_setattr(self, _ostream, name, value)
231  __swig_getmethods__ = {}
232  __getattr__ = lambda self, name: _swig_getattr(self, _ostream, name)
233  def __init__(self, *args, **kwargs): raise AttributeError("No constructor defined")
234  __repr__ = _swig_repr
235  def write(self, *args):
236  """write(_ostream self, char const * osa_buf)"""
237  return _IMP_atom._ostream_write(self, *args)
238 
239 _ostream_swigregister = _IMP_atom._ostream_swigregister
240 _ostream_swigregister(_ostream)
241 
242 IMP_COMPILER_HAS_OVERRIDE = _IMP_atom.IMP_COMPILER_HAS_OVERRIDE
243 IMP_COMPILER_HAS_FINAL = _IMP_atom.IMP_COMPILER_HAS_FINAL
244 IMP_HAS_NOEXCEPT = _IMP_atom.IMP_HAS_NOEXCEPT
245 import IMP.base
246 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_CGAL_HAS_BOOST_FILESYSTEM
247 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
248 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_atom.IMP_CGAL_HAS_BOOST_RANDOM
249 IMP_CGAL_HAS_BOOST_SYSTEM = _IMP_atom.IMP_CGAL_HAS_BOOST_SYSTEM
250 IMPCGAL_SHOW_WARNINGS = _IMP_atom.IMPCGAL_SHOW_WARNINGS
251 import IMP.cgal
252 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_atom.IMP_ALGEBRA_HAS_IMP_CGAL
253 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
254 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
255 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_atom.IMP_ALGEBRA_HAS_BOOST_RANDOM
256 IMP_ALGEBRA_HAS_BOOST_SYSTEM = _IMP_atom.IMP_ALGEBRA_HAS_BOOST_SYSTEM
257 IMP_ALGEBRA_HAS_CGAL = _IMP_atom.IMP_ALGEBRA_HAS_CGAL
258 IMP_ALGEBRA_HAS_ANN = _IMP_atom.IMP_ALGEBRA_HAS_ANN
259 IMPALGEBRA_SHOW_WARNINGS = _IMP_atom.IMPALGEBRA_SHOW_WARNINGS
260 import IMP.algebra
261 IMP_KERNEL_HAS_IMP_CGAL = _IMP_atom.IMP_KERNEL_HAS_IMP_CGAL
262 IMP_KERNEL_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_KERNEL_HAS_BOOST_PROGRAMOPTIONS
263 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_atom.IMP_KERNEL_HAS_BOOST_RANDOM
264 IMP_KERNEL_HAS_BOOST_SYSTEM = _IMP_atom.IMP_KERNEL_HAS_BOOST_SYSTEM
265 IMP_KERNEL_HAS_CGAL = _IMP_atom.IMP_KERNEL_HAS_CGAL
266 IMPKERNEL_SHOW_WARNINGS = _IMP_atom.IMPKERNEL_SHOW_WARNINGS
267 import IMP.kernel
268 IMP_DISPLAY_HAS_IMP_BASE = _IMP_atom.IMP_DISPLAY_HAS_IMP_BASE
269 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_atom.IMP_DISPLAY_HAS_IMP_CGAL
270 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
271 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
272 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_atom.IMP_DISPLAY_HAS_BOOST_RANDOM
273 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_atom.IMP_DISPLAY_HAS_BOOST_SYSTEM
274 IMP_DISPLAY_HAS_CGAL = _IMP_atom.IMP_DISPLAY_HAS_CGAL
275 IMPDISPLAY_SHOW_WARNINGS = _IMP_atom.IMPDISPLAY_SHOW_WARNINGS
276 import IMP.display
277 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
278 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
279 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
280 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
281 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
282 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_CGAL
283 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_HDF5
284 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_atom.IMPSCOREFUNCTOR_SHOW_WARNINGS
285 import IMP.score_functor
286 IMP_CORE_HAS_IMP_BASE = _IMP_atom.IMP_CORE_HAS_IMP_BASE
287 IMP_CORE_HAS_IMP_CGAL = _IMP_atom.IMP_CORE_HAS_IMP_CGAL
288 IMP_CORE_HAS_IMP_KERNEL = _IMP_atom.IMP_CORE_HAS_IMP_KERNEL
289 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_CORE_HAS_BOOST_FILESYSTEM
290 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
291 IMP_CORE_HAS_BOOST_RANDOM = _IMP_atom.IMP_CORE_HAS_BOOST_RANDOM
292 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_atom.IMP_CORE_HAS_BOOST_SYSTEM
293 IMP_CORE_HAS_CGAL = _IMP_atom.IMP_CORE_HAS_CGAL
294 IMP_CORE_HAS_HDF5 = _IMP_atom.IMP_CORE_HAS_HDF5
295 IMPCORE_SHOW_WARNINGS = _IMP_atom.IMPCORE_SHOW_WARNINGS
296 import IMP.core
297 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_atom.IMP_CONTAINER_HAS_IMP_ALGEBRA
298 IMP_CONTAINER_HAS_IMP_BASE = _IMP_atom.IMP_CONTAINER_HAS_IMP_BASE
299 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_atom.IMP_CONTAINER_HAS_IMP_CGAL
300 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_atom.IMP_CONTAINER_HAS_IMP_DISPLAY
301 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_atom.IMP_CONTAINER_HAS_IMP_KERNEL
302 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_atom.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
303 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
304 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
305 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_atom.IMP_CONTAINER_HAS_BOOST_RANDOM
306 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_atom.IMP_CONTAINER_HAS_BOOST_SYSTEM
307 IMP_CONTAINER_HAS_CGAL = _IMP_atom.IMP_CONTAINER_HAS_CGAL
308 IMP_CONTAINER_HAS_HDF5 = _IMP_atom.IMP_CONTAINER_HAS_HDF5
309 IMPCONTAINER_SHOW_WARNINGS = _IMP_atom.IMPCONTAINER_SHOW_WARNINGS
310 import IMP.container
311 IMP_ATOM_HAS_IMP_BASE = _IMP_atom.IMP_ATOM_HAS_IMP_BASE
312 IMP_ATOM_HAS_IMP_CGAL = _IMP_atom.IMP_ATOM_HAS_IMP_CGAL
313 IMP_ATOM_HAS_IMP_KERNEL = _IMP_atom.IMP_ATOM_HAS_IMP_KERNEL
314 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_atom.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
315 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
316 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_atom.IMP_ATOM_HAS_BOOST_RANDOM
317 IMP_ATOM_HAS_BOOST_REGEX = _IMP_atom.IMP_ATOM_HAS_BOOST_REGEX
318 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_atom.IMP_ATOM_HAS_BOOST_SYSTEM
319 IMP_ATOM_HAS_CGAL = _IMP_atom.IMP_ATOM_HAS_CGAL
320 IMP_ATOM_HAS_HDF5 = _IMP_atom.IMP_ATOM_HAS_HDF5
321 IMPATOM_SHOW_WARNINGS = _IMP_atom.IMPATOM_SHOW_WARNINGS
322 IMP_ATOM_TYPE_INDEX = _IMP_atom.IMP_ATOM_TYPE_INDEX
323 IMP_RESIDUE_TYPE_INDEX = _IMP_atom.IMP_RESIDUE_TYPE_INDEX
324 IMP_HIERARCHY_TYPE_INDEX = _IMP_atom.IMP_HIERARCHY_TYPE_INDEX
326  """Proxy of C++ IMP::base::internal::BoostDigraph<(IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex)> class"""
327  __swig_setmethods__ = {}
328  for _s in [IMP.base.Object]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
329  __setattr__ = lambda self, name, value: _swig_setattr(self, HierarchyTree, name, value)
330  __swig_getmethods__ = {}
331  for _s in [IMP.base.Object]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
332  __getattr__ = lambda self, name: _swig_getattr(self, HierarchyTree, name)
333  __repr__ = _swig_repr
334  def __init__(self):
335  """__init__(IMP::base::internal::BoostDigraph<(IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex)> self) -> HierarchyTree"""
336  this = _IMP_atom.new_HierarchyTree()
337  try: self.this.append(this)
338  except: self.this = this
339  def get_graph(self):
340  """get_graph(HierarchyTree self) -> IMP::atom::HierarchyTree const &"""
341  return _IMP_atom.HierarchyTree_get_graph(self)
342 
343  def get_vertices(self):
344  """get_vertices(HierarchyTree self) -> IMP::base::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptors"""
345  return _IMP_atom.HierarchyTree_get_vertices(self)
346 
347  def get_vertex_name(self, *args):
348  """get_vertex_name(HierarchyTree self, IMP::base::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor i) -> Hierarchy"""
349  return _IMP_atom.HierarchyTree_get_vertex_name(self, *args)
350 
351  def get_in_neighbors(self, *args):
352  """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"""
353  return _IMP_atom.HierarchyTree_get_in_neighbors(self, *args)
354 
355  def get_out_neighbors(self, *args):
356  """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"""
357  return _IMP_atom.HierarchyTree_get_out_neighbors(self, *args)
358 
359  def show_graphviz(self, *args):
360  """
361  show_graphviz(HierarchyTree self, _ostream out=std::cout)
362  show_graphviz(HierarchyTree self)
363  """
364  return _IMP_atom.HierarchyTree_show_graphviz(self, *args)
365 
366  def get_graphviz_string(self):
367  """get_graphviz_string(HierarchyTree self) -> std::string"""
368  return _IMP_atom.HierarchyTree_get_graphviz_string(self)
369 
370  def add_edge(self, *args):
371  """
372  add_edge(HierarchyTree self, IMP::base::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor v0,
373  IMP::base::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor v1)
374  """
375  return _IMP_atom.HierarchyTree_add_edge(self, *args)
376 
377  def add_vertex(self, *args):
378  """add_vertex(HierarchyTree self, Hierarchy l) -> IMP::base::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor"""
379  return _IMP_atom.HierarchyTree_add_vertex(self, *args)
380 
381  def remove_vertex(self, *args):
382  """remove_vertex(HierarchyTree self, IMP::base::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor l)"""
383  return _IMP_atom.HierarchyTree_remove_vertex(self, *args)
384 
385  __swig_destroy__ = _IMP_atom.delete_HierarchyTree
386  __del__ = lambda self : None;
387 HierarchyTree_swigregister = _IMP_atom.HierarchyTree_swigregister
388 HierarchyTree_swigregister(HierarchyTree)
389 
390 _value_types.append("HierarchyTree")
391 
392 _object_types.append("PDBSelector")
393 
394 
395 def _object_cast_to_PDBSelector(*args):
396  """_object_cast_to_PDBSelector(Object o) -> PDBSelector"""
397  return _IMP_atom._object_cast_to_PDBSelector(*args)
398 def Angles(l=[]):
399  return [Angle(x) for x in l]
400 _plural_types.append("Angles")
401 
402 _value_types.append("Angle")
403 
404 def Atoms(l=[]):
405  return [Atom(x) for x in l]
406 _plural_types.append("Atoms")
407 
408 _value_types.append("Atom")
409 
410 def Bonds(l=[]):
411  return [Bond(x) for x in l]
412 _plural_types.append("Bonds")
413 
414 _value_types.append("Bond")
415 
416 def Bondeds(l=[]):
417  return [Bonded(x) for x in l]
418 _plural_types.append("Bondeds")
419 
420 _value_types.append("Bonded")
421 
422 def CHARMMAtomList(l=[]):
423  return [CHARMMAtom(x) for x in l]
424 _plural_types.append("CHARMMAtomList")
425 
426 _value_types.append("CHARMMAtom")
427 
428 def Chains(l=[]):
429  return [Chain(x) for x in l]
430 _plural_types.append("Chains")
431 
432 _value_types.append("Chain")
433 
434 def CenterOfMasses(l=[]):
435  return [CenterOfMass(x) for x in l]
436 _plural_types.append("CenterOfMasses")
437 
438 _value_types.append("CenterOfMass")
439 
440 def Chargeds(l=[]):
441  return [Charged(x) for x in l]
442 _plural_types.append("Chargeds")
443 
444 _value_types.append("Charged")
445 
446 def Diffusions(l=[]):
447  return [Diffusion(x) for x in l]
448 _plural_types.append("Diffusions")
449 
450 _value_types.append("Diffusion")
451 
452 def RigidBodyDiffusions(l=[]):
453  return [RigidBodyDiffusion(x) for x in l]
454 _plural_types.append("RigidBodyDiffusions")
455 
456 _value_types.append("RigidBodyDiffusion")
457 
458 def Dihedrals(l=[]):
459  return [Dihedral(x) for x in l]
460 _plural_types.append("Dihedrals")
461 
462 _value_types.append("Dihedral")
463 
464 def Domains(l=[]):
465  return [Domain(x) for x in l]
466 _plural_types.append("Domains")
467 
468 _value_types.append("Domain")
469 
470 def Fragments(l=[]):
471  return [Fragment(x) for x in l]
472 _plural_types.append("Fragments")
473 
474 _value_types.append("Fragment")
475 
476 def Hierarchies(l=[]):
477  return [Hierarchy(x) for x in l]
478 _plural_types.append("Hierarchies")
479 
480 _value_types.append("Hierarchy")
481 
482 def LennardJonesList(l=[]):
483  return [LennardJones(x) for x in l]
484 _plural_types.append("LennardJonesList")
485 
486 _value_types.append("LennardJones")
487 
488 def Masses(l=[]):
489  return [Mass(x) for x in l]
490 _plural_types.append("Masses")
491 
492 _value_types.append("Mass")
493 
494 def Molecules(l=[]):
495  return [Molecule(x) for x in l]
496 _plural_types.append("Molecules")
497 
498 _value_types.append("Molecule")
499 
500 def Residues(l=[]):
501  return [Residue(x) for x in l]
502 _plural_types.append("Residues")
503 
504 _value_types.append("Residue")
505 
506 def Representations(l=[]):
507  return [Representation(x) for x in l]
508 _plural_types.append("Representations")
509 
510 _value_types.append("Representation")
511 
512 def States(l=[]):
513  return [State(x) for x in l]
514 _plural_types.append("States")
515 
516 _value_types.append("State")
517 
518 def Copies(l=[]):
519  return [Copy(x) for x in l]
520 _plural_types.append("Copies")
521 
522 _value_types.append("Copy")
523 
524 def SecondaryStructureResidues(l=[]):
525  return [SecondaryStructureResidue(x) for x in l]
526 _plural_types.append("SecondaryStructureResidues")
527 
528 _value_types.append("SecondaryStructureResidue")
529 
530 _object_types.append("Simulator")
531 
532 
533 def _object_cast_to_Simulator(*args):
534  """_object_cast_to_Simulator(Object o) -> Simulator"""
535  return _IMP_atom._object_cast_to_Simulator(*args)
536 _object_types.append("ATOMPDBSelector")
537 
538 
539 def _object_cast_to_ATOMPDBSelector(*args):
540  """_object_cast_to_ATOMPDBSelector(Object o) -> ATOMPDBSelector"""
541  return _IMP_atom._object_cast_to_ATOMPDBSelector(*args)
542 _object_types.append("AllMol2Selector")
543 
544 
545 def _object_cast_to_AllMol2Selector(*args):
546  """_object_cast_to_AllMol2Selector(Object o) -> AllMol2Selector"""
547  return _IMP_atom._object_cast_to_AllMol2Selector(*args)
548 _object_types.append("AllPDBSelector")
549 
550 
551 def _object_cast_to_AllPDBSelector(*args):
552  """_object_cast_to_AllPDBSelector(Object o) -> AllPDBSelector"""
553  return _IMP_atom._object_cast_to_AllPDBSelector(*args)
554 _object_types.append("AndPDBSelector")
555 
556 
557 def _object_cast_to_AndPDBSelector(*args):
558  """_object_cast_to_AndPDBSelector(Object o) -> AndPDBSelector"""
559  return _IMP_atom._object_cast_to_AndPDBSelector(*args)
560 _object_types.append("AngleSingletonScore")
561 
562 
563 def _object_cast_to_AngleSingletonScore(*args):
564  """_object_cast_to_AngleSingletonScore(Object o) -> AngleSingletonScore"""
565  return _IMP_atom._object_cast_to_AngleSingletonScore(*args)
566 _object_types.append("BondEndpointsRefiner")
567 
568 
569 def _object_cast_to_BondEndpointsRefiner(*args):
570  """_object_cast_to_BondEndpointsRefiner(Object o) -> BondEndpointsRefiner"""
571  return _IMP_atom._object_cast_to_BondEndpointsRefiner(*args)
572 _object_types.append("BondPairContainer")
573 
574 
575 def _object_cast_to_BondPairContainer(*args):
576  """_object_cast_to_BondPairContainer(Object o) -> BondPairContainer"""
577  return _IMP_atom._object_cast_to_BondPairContainer(*args)
578 _object_types.append("BondSingletonScore")
579 
580 
581 def _object_cast_to_BondSingletonScore(*args):
582  """_object_cast_to_BondSingletonScore(Object o) -> BondSingletonScore"""
583  return _IMP_atom._object_cast_to_BondSingletonScore(*args)
584 _object_types.append("BondedPairFilter")
585 
586 
587 def _object_cast_to_BondedPairFilter(*args):
588  """_object_cast_to_BondedPairFilter(Object o) -> BondedPairFilter"""
589  return _IMP_atom._object_cast_to_BondedPairFilter(*args)
590 _object_types.append("BrownianDynamics")
591 
592 
593 def _object_cast_to_BrownianDynamics(*args):
594  """_object_cast_to_BrownianDynamics(Object o) -> BrownianDynamics"""
595  return _IMP_atom._object_cast_to_BrownianDynamics(*args)
596 _object_types.append("CAlphaPDBSelector")
597 
598 
599 def _object_cast_to_CAlphaPDBSelector(*args):
600  """_object_cast_to_CAlphaPDBSelector(Object o) -> CAlphaPDBSelector"""
601  return _IMP_atom._object_cast_to_CAlphaPDBSelector(*args)
602 _object_types.append("CBetaPDBSelector")
603 
604 
605 def _object_cast_to_CBetaPDBSelector(*args):
606  """_object_cast_to_CBetaPDBSelector(Object o) -> CBetaPDBSelector"""
607  return _IMP_atom._object_cast_to_CBetaPDBSelector(*args)
608 _object_types.append("BackbonePDBSelector")
609 
610 
611 def _object_cast_to_BackbonePDBSelector(*args):
612  """_object_cast_to_BackbonePDBSelector(Object o) -> BackbonePDBSelector"""
613  return _IMP_atom._object_cast_to_BackbonePDBSelector(*args)
614 _object_types.append("CHARMMParameters")
615 
616 
617 def _object_cast_to_CHARMMParameters(*args):
618  """_object_cast_to_CHARMMParameters(Object o) -> CHARMMParameters"""
619  return _IMP_atom._object_cast_to_CHARMMParameters(*args)
620 _object_types.append("CHARMMResidueTopology")
621 
622 
623 def _object_cast_to_CHARMMResidueTopology(*args):
624  """_object_cast_to_CHARMMResidueTopology(Object o) -> CHARMMResidueTopology"""
625  return _IMP_atom._object_cast_to_CHARMMResidueTopology(*args)
626 _object_types.append("CHARMMSegmentTopology")
627 
628 
629 def _object_cast_to_CHARMMSegmentTopology(*args):
630  """_object_cast_to_CHARMMSegmentTopology(Object o) -> CHARMMSegmentTopology"""
631  return _IMP_atom._object_cast_to_CHARMMSegmentTopology(*args)
632 _object_types.append("CHARMMStereochemistryRestraint")
633 
634 
635 def _object_cast_to_CHARMMStereochemistryRestraint(*args):
636  """_object_cast_to_CHARMMStereochemistryRestraint(Object o) -> CHARMMStereochemistryRestraint"""
637  return _IMP_atom._object_cast_to_CHARMMStereochemistryRestraint(*args)
638 _object_types.append("CHARMMTopology")
639 
640 
641 def _object_cast_to_CHARMMTopology(*args):
642  """_object_cast_to_CHARMMTopology(Object o) -> CHARMMTopology"""
643  return _IMP_atom._object_cast_to_CHARMMTopology(*args)
644 _object_types.append("CPDBSelector")
645 
646 
647 def _object_cast_to_CPDBSelector(*args):
648  """_object_cast_to_CPDBSelector(Object o) -> CPDBSelector"""
649  return _IMP_atom._object_cast_to_CPDBSelector(*args)
650 _object_types.append("ChainPDBSelector")
651 
652 
653 def _object_cast_to_ChainPDBSelector(*args):
654  """_object_cast_to_ChainPDBSelector(Object o) -> ChainPDBSelector"""
655  return _IMP_atom._object_cast_to_ChainPDBSelector(*args)
656 _object_types.append("CoulombPairScore")
657 
658 
659 def _object_cast_to_CoulombPairScore(*args):
660  """_object_cast_to_CoulombPairScore(Object o) -> CoulombPairScore"""
661  return _IMP_atom._object_cast_to_CoulombPairScore(*args)
662 _object_types.append("CoverBond")
663 
664 
665 def _object_cast_to_CoverBond(*args):
666  """_object_cast_to_CoverBond(Object o) -> CoverBond"""
667  return _IMP_atom._object_cast_to_CoverBond(*args)
668 _object_types.append("DihedralSingletonScore")
669 
670 
671 def _object_cast_to_DihedralSingletonScore(*args):
672  """_object_cast_to_DihedralSingletonScore(Object o) -> DihedralSingletonScore"""
673  return _IMP_atom._object_cast_to_DihedralSingletonScore(*args)
674 _object_types.append("DopePairScore")
675 
676 
677 def _object_cast_to_DopePairScore(*args):
678  """_object_cast_to_DopePairScore(Object o) -> DopePairScore"""
679  return _IMP_atom._object_cast_to_DopePairScore(*args)
680 _object_types.append("OrientedSoapPairScore")
681 
682 
683 def _object_cast_to_OrientedSoapPairScore(*args):
684  """_object_cast_to_OrientedSoapPairScore(Object o) -> OrientedSoapPairScore"""
685  return _IMP_atom._object_cast_to_OrientedSoapPairScore(*args)
686 _object_types.append("EzRestraint")
687 
688 
689 def _object_cast_to_EzRestraint(*args):
690  """_object_cast_to_EzRestraint(Object o) -> EzRestraint"""
691  return _IMP_atom._object_cast_to_EzRestraint(*args)
692 _object_types.append("ForceFieldParameters")
693 
694 
695 def _object_cast_to_ForceFieldParameters(*args):
696  """_object_cast_to_ForceFieldParameters(Object o) -> ForceFieldParameters"""
697  return _IMP_atom._object_cast_to_ForceFieldParameters(*args)
698 _object_types.append("ForceSwitch")
699 
700 
701 def _object_cast_to_ForceSwitch(*args):
702  """_object_cast_to_ForceSwitch(Object o) -> ForceSwitch"""
703  return _IMP_atom._object_cast_to_ForceSwitch(*args)
704 _object_types.append("HydrogenPDBSelector")
705 
706 
707 def _object_cast_to_HydrogenPDBSelector(*args):
708  """_object_cast_to_HydrogenPDBSelector(Object o) -> HydrogenPDBSelector"""
709  return _IMP_atom._object_cast_to_HydrogenPDBSelector(*args)
710 _object_types.append("ImproperSingletonScore")
711 
712 
713 def _object_cast_to_ImproperSingletonScore(*args):
714  """_object_cast_to_ImproperSingletonScore(Object o) -> ImproperSingletonScore"""
715  return _IMP_atom._object_cast_to_ImproperSingletonScore(*args)
716 _object_types.append("LennardJonesPairScore")
717 
718 
719 def _object_cast_to_LennardJonesPairScore(*args):
720  """_object_cast_to_LennardJonesPairScore(Object o) -> LennardJonesPairScore"""
721  return _IMP_atom._object_cast_to_LennardJonesPairScore(*args)
722 _object_types.append("Mol2Selector")
723 
724 
725 def _object_cast_to_Mol2Selector(*args):
726  """_object_cast_to_Mol2Selector(Object o) -> Mol2Selector"""
727  return _IMP_atom._object_cast_to_Mol2Selector(*args)
728 _object_types.append("MolecularDynamics")
729 
730 
731 def _object_cast_to_MolecularDynamics(*args):
732  """_object_cast_to_MolecularDynamics(Object o) -> MolecularDynamics"""
733  return _IMP_atom._object_cast_to_MolecularDynamics(*args)
734 _object_types.append("NPDBSelector")
735 
736 
737 def _object_cast_to_NPDBSelector(*args):
738  """_object_cast_to_NPDBSelector(Object o) -> NPDBSelector"""
739  return _IMP_atom._object_cast_to_NPDBSelector(*args)
740 _object_types.append("NonAlternativePDBSelector")
741 
742 
743 def _object_cast_to_NonAlternativePDBSelector(*args):
744  """_object_cast_to_NonAlternativePDBSelector(Object o) -> NonAlternativePDBSelector"""
745  return _IMP_atom._object_cast_to_NonAlternativePDBSelector(*args)
746 _object_types.append("NonHydrogenMol2Selector")
747 
748 
749 def _object_cast_to_NonHydrogenMol2Selector(*args):
750  """_object_cast_to_NonHydrogenMol2Selector(Object o) -> NonHydrogenMol2Selector"""
751  return _IMP_atom._object_cast_to_NonHydrogenMol2Selector(*args)
752 _object_types.append("NonWaterNonHydrogenPDBSelector")
753 
754 
755 def _object_cast_to_NonWaterNonHydrogenPDBSelector(*args):
756  """_object_cast_to_NonWaterNonHydrogenPDBSelector(Object o) -> NonWaterNonHydrogenPDBSelector"""
757  return _IMP_atom._object_cast_to_NonWaterNonHydrogenPDBSelector(*args)
758 _object_types.append("NonWaterPDBSelector")
759 
760 
761 def _object_cast_to_NonWaterPDBSelector(*args):
762  """_object_cast_to_NonWaterPDBSelector(Object o) -> NonWaterPDBSelector"""
763  return _IMP_atom._object_cast_to_NonWaterPDBSelector(*args)
764 _object_types.append("NotPDBSelector")
765 
766 
767 def _object_cast_to_NotPDBSelector(*args):
768  """_object_cast_to_NotPDBSelector(Object o) -> NotPDBSelector"""
769  return _IMP_atom._object_cast_to_NotPDBSelector(*args)
770 _object_types.append("OrPDBSelector")
771 
772 
773 def _object_cast_to_OrPDBSelector(*args):
774  """_object_cast_to_OrPDBSelector(Object o) -> OrPDBSelector"""
775  return _IMP_atom._object_cast_to_OrPDBSelector(*args)
776 _object_types.append("PPDBSelector")
777 
778 
779 def _object_cast_to_PPDBSelector(*args):
780  """_object_cast_to_PPDBSelector(Object o) -> PPDBSelector"""
781  return _IMP_atom._object_cast_to_PPDBSelector(*args)
782 _object_types.append("ProteinLigandAtomPairScore")
783 
784 
785 def _object_cast_to_ProteinLigandAtomPairScore(*args):
786  """_object_cast_to_ProteinLigandAtomPairScore(Object o) -> ProteinLigandAtomPairScore"""
787  return _IMP_atom._object_cast_to_ProteinLigandAtomPairScore(*args)
788 _object_types.append("ProteinLigandRestraint")
789 
790 
791 def _object_cast_to_ProteinLigandRestraint(*args):
792  """_object_cast_to_ProteinLigandRestraint(Object o) -> ProteinLigandRestraint"""
793  return _IMP_atom._object_cast_to_ProteinLigandRestraint(*args)
794 _object_types.append("SameResiduePairFilter")
795 
796 
797 def _object_cast_to_SameResiduePairFilter(*args):
798  """_object_cast_to_SameResiduePairFilter(Object o) -> SameResiduePairFilter"""
799  return _IMP_atom._object_cast_to_SameResiduePairFilter(*args)
800 _object_types.append("SoapPairFilter")
801 
802 
803 def _object_cast_to_SoapPairFilter(*args):
804  """_object_cast_to_SoapPairFilter(Object o) -> SoapPairFilter"""
805  return _IMP_atom._object_cast_to_SoapPairFilter(*args)
806 _object_types.append("SmoothingFunction")
807 
808 
809 def _object_cast_to_SmoothingFunction(*args):
810  """_object_cast_to_SmoothingFunction(Object o) -> SmoothingFunction"""
811  return _IMP_atom._object_cast_to_SmoothingFunction(*args)
812 _object_types.append("StereochemistryPairFilter")
813 
814 
815 def _object_cast_to_StereochemistryPairFilter(*args):
816  """_object_cast_to_StereochemistryPairFilter(Object o) -> StereochemistryPairFilter"""
817  return _IMP_atom._object_cast_to_StereochemistryPairFilter(*args)
818 _object_types.append("VelocityScalingOptimizerState")
819 
820 
821 def _object_cast_to_VelocityScalingOptimizerState(*args):
822  """_object_cast_to_VelocityScalingOptimizerState(Object o) -> VelocityScalingOptimizerState"""
823  return _IMP_atom._object_cast_to_VelocityScalingOptimizerState(*args)
824 _object_types.append("WaterPDBSelector")
825 
826 
827 def _object_cast_to_WaterPDBSelector(*args):
828  """_object_cast_to_WaterPDBSelector(Object o) -> WaterPDBSelector"""
829  return _IMP_atom._object_cast_to_WaterPDBSelector(*args)
830 _object_types.append("WritePDBOptimizerState")
831 
832 
833 def _object_cast_to_WritePDBOptimizerState(*args):
834  """_object_cast_to_WritePDBOptimizerState(Object o) -> WritePDBOptimizerState"""
835  return _IMP_atom._object_cast_to_WritePDBOptimizerState(*args)
836 AtomTypes=list
837 _plural_types.append("AtomTypes")
838 _value_types.append("AtomType")
839 
840 CHARMMAtomTopologies=list
841 _plural_types.append("CHARMMAtomTopologies")
842 _value_types.append("CHARMMAtomTopology")
843 
844 CHARMMBondEndpoints=list
845 _plural_types.append("CHARMMBondEndpoints")
846 _value_types.append("CHARMMBondEndpoint")
847 
848 CHARMMBondParametersList=list
849 _plural_types.append("CHARMMBondParametersList")
850 _value_types.append("CHARMMBondParameters")
851 
852 CHARMMDihedralParametersList=list
853 _plural_types.append("CHARMMDihedralParametersList")
854 _value_types.append("CHARMMDihedralParameters")
855 
856 _object_types.append("CHARMMIdealResidueTopology")
857 
858 
859 def _object_cast_to_CHARMMIdealResidueTopology(*args):
860  """_object_cast_to_CHARMMIdealResidueTopology(Object o) -> CHARMMIdealResidueTopology"""
861  return _IMP_atom._object_cast_to_CHARMMIdealResidueTopology(*args)
862 CHARMMInternalCoordinates=list
863 _plural_types.append("CHARMMInternalCoordinates")
864 _value_types.append("CHARMMInternalCoordinate")
865 
866 _object_types.append("CHARMMPatch")
867 
868 
869 def _object_cast_to_CHARMMPatch(*args):
870  """_object_cast_to_CHARMMPatch(Object o) -> CHARMMPatch"""
871  return _IMP_atom._object_cast_to_CHARMMPatch(*args)
872 _object_types.append("CHARMMResidueTopologyBase")
873 
874 
875 def _object_cast_to_CHARMMResidueTopologyBase(*args):
876  """_object_cast_to_CHARMMResidueTopologyBase(Object o) -> CHARMMResidueTopologyBase"""
877  return _IMP_atom._object_cast_to_CHARMMResidueTopologyBase(*args)
878 ResidueTypes=list
879 _plural_types.append("ResidueTypes")
880 _value_types.append("ResidueType")
881 
882 Selections=list
883 _plural_types.append("Selections")
884 _value_types.append("Selection")
885 
886 _object_types.append("RemoveRigidMotionOptimizerState")
887 
888 
889 def _object_cast_to_RemoveRigidMotionOptimizerState(*args):
890  """_object_cast_to_RemoveRigidMotionOptimizerState(Object o) -> RemoveRigidMotionOptimizerState"""
891  return _IMP_atom._object_cast_to_RemoveRigidMotionOptimizerState(*args)
892 _object_types.append("BerendsenThermostatOptimizerState")
893 
894 
895 def _object_cast_to_BerendsenThermostatOptimizerState(*args):
896  """_object_cast_to_BerendsenThermostatOptimizerState(Object o) -> BerendsenThermostatOptimizerState"""
897  return _IMP_atom._object_cast_to_BerendsenThermostatOptimizerState(*args)
898 _object_types.append("LangevinThermostatOptimizerState")
899 
900 
901 def _object_cast_to_LangevinThermostatOptimizerState(*args):
902  """_object_cast_to_LangevinThermostatOptimizerState(Object o) -> LangevinThermostatOptimizerState"""
903  return _IMP_atom._object_cast_to_LangevinThermostatOptimizerState(*args)
904 _object_types.append("SelectionGeometry")
905 
906 
907 def _object_cast_to_SelectionGeometry(*args):
908  """_object_cast_to_SelectionGeometry(Object o) -> SelectionGeometry"""
909  return _IMP_atom._object_cast_to_SelectionGeometry(*args)
910 _object_types.append("HierarchyGeometry")
911 
912 
913 def _object_cast_to_HierarchyGeometry(*args):
914  """_object_cast_to_HierarchyGeometry(Object o) -> HierarchyGeometry"""
915  return _IMP_atom._object_cast_to_HierarchyGeometry(*args)
916 _object_types.append("HierarchiesGeometry")
917 
918 
919 def _object_cast_to_HierarchiesGeometry(*args):
920  """_object_cast_to_HierarchiesGeometry(Object o) -> HierarchiesGeometry"""
921  return _IMP_atom._object_cast_to_HierarchiesGeometry(*args)
922 _object_types.append("BondGeometry")
923 
924 
925 def _object_cast_to_BondGeometry(*args):
926  """_object_cast_to_BondGeometry(Object o) -> BondGeometry"""
927  return _IMP_atom._object_cast_to_BondGeometry(*args)
928 _object_types.append("BondsGeometry")
929 
930 
931 def _object_cast_to_BondsGeometry(*args):
932  """_object_cast_to_BondsGeometry(Object o) -> BondsGeometry"""
933  return _IMP_atom._object_cast_to_BondsGeometry(*args)
934 CHARMMDihedrals=list
935 _plural_types.append("CHARMMDihedrals")
936 _value_types.append("CHARMMDihedral")
937 
938 CHARMMBonds=list
939 _plural_types.append("CHARMMBonds")
940 _value_types.append("CHARMMBond")
941 
942 CHARMMAngles=list
943 _plural_types.append("CHARMMAngles")
944 _value_types.append("CHARMMAngle")
945 
946 class Bond(IMP.kernel.Decorator):
947  """Proxy of C++ IMP::atom::Bond class"""
948  __swig_setmethods__ = {}
949  for _s in [IMP.kernel.Decorator]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
950  __setattr__ = lambda self, name, value: _swig_setattr(self, Bond, name, value)
951  __swig_getmethods__ = {}
952  for _s in [IMP.kernel.Decorator]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
953  __getattr__ = lambda self, name: _swig_getattr(self, Bond, name)
954  def __init__(self, *args):
955  """
956  __init__(IMP::atom::Bond self) -> Bond
957  __init__(IMP::atom::Bond self, Model m, ::IMP::kernel::ParticleIndex id) -> Bond
958  __init__(IMP::atom::Bond self, _ParticleAdaptor d) -> Bond
959  """
960  this = _IMP_atom.new_Bond(*args)
961  try: self.this.append(this)
962  except: self.this = this
963  def show(self, *args):
964  """
965  show(Bond self, _ostream out=std::cout)
966  show(Bond self)
967  """
968  return _IMP_atom.Bond_show(self, *args)
969 
970  def get_is_setup(*args):
971  """
972  get_is_setup(_ParticleAdaptor p) -> bool
973  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
974  """
975  return _IMP_atom.Bond_get_is_setup(*args)
976 
977  if _newclass:get_is_setup = staticmethod(get_is_setup)
978  __swig_getmethods__["get_is_setup"] = lambda x: get_is_setup
979  UNKNOWN = _IMP_atom.Bond_UNKNOWN
980  NONBIOLOGICAL = _IMP_atom.Bond_NONBIOLOGICAL
981  SINGLE = _IMP_atom.Bond_SINGLE
982  DOUBLE = _IMP_atom.Bond_DOUBLE
983  TRIPLE = _IMP_atom.Bond_TRIPLE
984  HYDROGEN = _IMP_atom.Bond_HYDROGEN
985  SALT = _IMP_atom.Bond_SALT
986  PEPTIDE = _IMP_atom.Bond_PEPTIDE
987  AMIDE = _IMP_atom.Bond_AMIDE
988  AROMATIC = _IMP_atom.Bond_AROMATIC
989  def get_bonded(self, *args):
990  """get_bonded(Bond self, unsigned int i) -> Bonded"""
991  return _IMP_atom.Bond_get_bonded(self, *args)
992 
993  def get_type(self):
994  """get_type(Bond self) -> IMP::Int"""
995  return _IMP_atom.Bond_get_type(self)
996 
997  def set_type(self, *args):
998  """set_type(Bond self, IMP::Int t)"""
999  return _IMP_atom.Bond_set_type(self, *args)
1000 
1001  def get_order(self):
1002  """get_order(Bond self) -> IMP::Int"""
1003  return _IMP_atom.Bond_get_order(self)
1004 
1005  def set_order(self, *args):
1006  """set_order(Bond self, IMP::Int t)"""
1007  return _IMP_atom.Bond_set_order(self, *args)
1008 
1009  def get_length(self):
1010  """get_length(Bond self) -> IMP::Float"""
1011  return _IMP_atom.Bond_get_length(self)
1012 
1013  def set_length(self, *args):
1014  """set_length(Bond self, IMP::Float t)"""
1015  return _IMP_atom.Bond_set_length(self, *args)
1016 
1017  def get_stiffness(self):
1018  """get_stiffness(Bond self) -> IMP::Float"""
1019  return _IMP_atom.Bond_get_stiffness(self)
1020 
1021  def set_stiffness(self, *args):
1022  """set_stiffness(Bond self, IMP::Float t)"""
1023  return _IMP_atom.Bond_set_stiffness(self, *args)
1024 
1025  def get_length_key():
1026  """get_length_key() -> FloatKey"""
1027  return _IMP_atom.Bond_get_length_key()
1028 
1029  if _newclass:get_length_key = staticmethod(get_length_key)
1030  __swig_getmethods__["get_length_key"] = lambda x: get_length_key
1031  def add_attribute(self, *args):
1032  """
1033  add_attribute(Bond self, FloatKey k, IMP::Float v, bool opt)
1034  add_attribute(Bond self, FloatKey a0, IMP::Float a1)
1035  add_attribute(Bond self, IntKey a0, IMP::Int a1)
1036  add_attribute(Bond self, StringKey a0, IMP::String a1)
1037  add_attribute(Bond self, ParticleIndexKey a0, Particle a1)
1038  add_attribute(Bond self, ObjectKey a0, Object a1)
1039  """
1040  return _IMP_atom.Bond_add_attribute(self, *args)
1041 
1042  def get_value(self, *args):
1043  """
1044  get_value(Bond self, FloatKey a0) -> IMP::Float
1045  get_value(Bond self, IntKey a0) -> IMP::Int
1046  get_value(Bond self, StringKey a0) -> IMP::String
1047  get_value(Bond self, ParticleIndexKey a0) -> Particle
1048  get_value(Bond self, ObjectKey a0) -> Object
1049  """
1050  return _IMP_atom.Bond_get_value(self, *args)
1051 
1052  def set_value(self, *args):
1053  """
1054  set_value(Bond self, FloatKey a0, IMP::Float a1)
1055  set_value(Bond self, IntKey a0, IMP::Int a1)
1056  set_value(Bond self, StringKey a0, IMP::String a1)
1057  set_value(Bond self, ParticleIndexKey a0, Particle a1)
1058  set_value(Bond self, ObjectKey a0, Object a1)
1059  """
1060  return _IMP_atom.Bond_set_value(self, *args)
1061 
1062  def remove_attribute(self, *args):
1063  """
1064  remove_attribute(Bond self, FloatKey a0)
1065  remove_attribute(Bond self, IntKey a0)
1066  remove_attribute(Bond self, StringKey a0)
1067  remove_attribute(Bond self, ParticleIndexKey a0)
1068  remove_attribute(Bond self, ObjectKey a0)
1069  """
1070  return _IMP_atom.Bond_remove_attribute(self, *args)
1071 
1072  def has_attribute(self, *args):
1073  """
1074  has_attribute(Bond self, FloatKey a0) -> bool
1075  has_attribute(Bond self, IntKey a0) -> bool
1076  has_attribute(Bond self, StringKey a0) -> bool
1077  has_attribute(Bond self, ParticleIndexKey a0) -> bool
1078  has_attribute(Bond self, ObjectKey a0) -> bool
1079  """
1080  return _IMP_atom.Bond_has_attribute(self, *args)
1081 
1082  def get_derivative(self, *args):
1083  """get_derivative(Bond self, FloatKey a0) -> double"""
1084  return _IMP_atom.Bond_get_derivative(self, *args)
1085 
1086  def get_name(self):
1087  """get_name(Bond self) -> std::string"""
1088  return _IMP_atom.Bond_get_name(self)
1089 
1090  def clear_caches(self):
1091  """clear_caches(Bond self)"""
1092  return _IMP_atom.Bond_clear_caches(self)
1093 
1094  def set_name(self, *args):
1095  """set_name(Bond self, std::string a0)"""
1096  return _IMP_atom.Bond_set_name(self, *args)
1097 
1098  def set_check_level(self, *args):
1099  """set_check_level(Bond self, IMP::base::CheckLevel a0)"""
1100  return _IMP_atom.Bond_set_check_level(self, *args)
1101 
1102  def add_to_derivative(self, *args):
1103  """add_to_derivative(Bond self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1104  return _IMP_atom.Bond_add_to_derivative(self, *args)
1105 
1106  def set_is_optimized(self, *args):
1107  """set_is_optimized(Bond self, FloatKey a0, bool a1)"""
1108  return _IMP_atom.Bond_set_is_optimized(self, *args)
1109 
1110  def get_is_optimized(self, *args):
1111  """get_is_optimized(Bond self, FloatKey a0) -> bool"""
1112  return _IMP_atom.Bond_get_is_optimized(self, *args)
1113 
1114  def get_check_level(self):
1115  """get_check_level(Bond self) -> IMP::base::CheckLevel"""
1116  return _IMP_atom.Bond_get_check_level(self)
1117 
1118  def __eq__(self, *args):
1119  """
1120  __eq__(Bond self, Bond o) -> bool
1121  __eq__(Bond self, Particle d) -> bool
1122  """
1123  return _IMP_atom.Bond___eq__(self, *args)
1124 
1125  def __ne__(self, *args):
1126  """
1127  __ne__(Bond self, Bond o) -> bool
1128  __ne__(Bond self, Particle d) -> bool
1129  """
1130  return _IMP_atom.Bond___ne__(self, *args)
1131 
1132  def __le__(self, *args):
1133  """
1134  __le__(Bond self, Bond o) -> bool
1135  __le__(Bond self, Particle d) -> bool
1136  """
1137  return _IMP_atom.Bond___le__(self, *args)
1138 
1139  def __lt__(self, *args):
1140  """
1141  __lt__(Bond self, Bond o) -> bool
1142  __lt__(Bond self, Particle d) -> bool
1143  """
1144  return _IMP_atom.Bond___lt__(self, *args)
1145 
1146  def __ge__(self, *args):
1147  """
1148  __ge__(Bond self, Bond o) -> bool
1149  __ge__(Bond self, Particle d) -> bool
1150  """
1151  return _IMP_atom.Bond___ge__(self, *args)
1152 
1153  def __gt__(self, *args):
1154  """
1155  __gt__(Bond self, Bond o) -> bool
1156  __gt__(Bond self, Particle d) -> bool
1157  """
1158  return _IMP_atom.Bond___gt__(self, *args)
1159 
1160  def __str__(self):
1161  """__str__(Bond self) -> std::string"""
1162  return _IMP_atom.Bond___str__(self)
1163 
1164  def __repr__(self):
1165  """__repr__(Bond self) -> std::string"""
1166  return _IMP_atom.Bond___repr__(self)
1167 
1168  __swig_destroy__ = _IMP_atom.delete_Bond
1169  __del__ = lambda self : None;
1170 Bond_swigregister = _IMP_atom.Bond_swigregister
1171 Bond_swigregister(Bond)
1172 
1173 def Bond_get_is_setup(*args):
1174  """
1175  get_is_setup(_ParticleAdaptor p) -> bool
1176  Bond_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
1177  """
1178  return _IMP_atom.Bond_get_is_setup(*args)
1179 
1180 def Bond_get_length_key():
1181  """Bond_get_length_key() -> FloatKey"""
1182  return _IMP_atom.Bond_get_length_key()
1183 
1184 class Bonded(IMP.kernel.Decorator):
1185  """Proxy of C++ IMP::atom::Bonded class"""
1186  __swig_setmethods__ = {}
1187  for _s in [IMP.kernel.Decorator]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
1188  __setattr__ = lambda self, name, value: _swig_setattr(self, Bonded, name, value)
1189  __swig_getmethods__ = {}
1190  for _s in [IMP.kernel.Decorator]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
1191  __getattr__ = lambda self, name: _swig_getattr(self, Bonded, name)
1192  def __init__(self, *args):
1193  """
1194  __init__(IMP::atom::Bonded self) -> Bonded
1195  __init__(IMP::atom::Bonded self, Model m, ::IMP::kernel::ParticleIndex id) -> Bonded
1196  __init__(IMP::atom::Bonded self, _ParticleAdaptor d) -> Bonded
1197  """
1198  this = _IMP_atom.new_Bonded(*args)
1199  try: self.this.append(this)
1200  except: self.this = this
1201  def show(self, *args):
1202  """
1203  show(Bonded self, _ostream out=std::cout)
1204  show(Bonded self)
1205  """
1206  return _IMP_atom.Bonded_show(self, *args)
1207 
1208  def setup_particle(*args):
1209  """
1210  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> Bonded
1211  setup_particle(_ParticleAdaptor decorator) -> Bonded
1212  """
1213  return _IMP_atom.Bonded_setup_particle(*args)
1214 
1215  if _newclass:setup_particle = staticmethod(setup_particle)
1216  __swig_getmethods__["setup_particle"] = lambda x: setup_particle
1217  def get_is_setup(*args):
1218  """
1219  get_is_setup(_ParticleAdaptor p) -> bool
1220  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
1221  """
1222  return _IMP_atom.Bonded_get_is_setup(*args)
1223 
1224  if _newclass:get_is_setup = staticmethod(get_is_setup)
1225  __swig_getmethods__["get_is_setup"] = lambda x: get_is_setup
1226  def get_number_of_bonds(self):
1227  """get_number_of_bonds(Bonded self) -> unsigned int"""
1228  return _IMP_atom.Bonded_get_number_of_bonds(self)
1229 
1230  def get_bond_indexes(self):
1231  """get_bond_indexes(Bonded self) -> IMP::kernel::ParticleIndexes"""
1232  return _IMP_atom.Bonded_get_bond_indexes(self)
1233 
1234  def get_bond(self, *args):
1235  """get_bond(Bonded self, unsigned int i) -> Bond"""
1236  return _IMP_atom.Bonded_get_bond(self, *args)
1237 
1238  def get_bonded(self, *args):
1239  """get_bonded(Bonded self, unsigned int i) -> Bonded"""
1240  return _IMP_atom.Bonded_get_bonded(self, *args)
1241 
1242  def add_attribute(self, *args):
1243  """
1244  add_attribute(Bonded self, FloatKey k, IMP::Float v, bool opt)
1245  add_attribute(Bonded self, FloatKey a0, IMP::Float a1)
1246  add_attribute(Bonded self, IntKey a0, IMP::Int a1)
1247  add_attribute(Bonded self, StringKey a0, IMP::String a1)
1248  add_attribute(Bonded self, ParticleIndexKey a0, Particle a1)
1249  add_attribute(Bonded self, ObjectKey a0, Object a1)
1250  """
1251  return _IMP_atom.Bonded_add_attribute(self, *args)
1252 
1253  def get_value(self, *args):
1254  """
1255  get_value(Bonded self, FloatKey a0) -> IMP::Float
1256  get_value(Bonded self, IntKey a0) -> IMP::Int
1257  get_value(Bonded self, StringKey a0) -> IMP::String
1258  get_value(Bonded self, ParticleIndexKey a0) -> Particle
1259  get_value(Bonded self, ObjectKey a0) -> Object
1260  """
1261  return _IMP_atom.Bonded_get_value(self, *args)
1262 
1263  def set_value(self, *args):
1264  """
1265  set_value(Bonded self, FloatKey a0, IMP::Float a1)
1266  set_value(Bonded self, IntKey a0, IMP::Int a1)
1267  set_value(Bonded self, StringKey a0, IMP::String a1)
1268  set_value(Bonded self, ParticleIndexKey a0, Particle a1)
1269  set_value(Bonded self, ObjectKey a0, Object a1)
1270  """
1271  return _IMP_atom.Bonded_set_value(self, *args)
1272 
1273  def remove_attribute(self, *args):
1274  """
1275  remove_attribute(Bonded self, FloatKey a0)
1276  remove_attribute(Bonded self, IntKey a0)
1277  remove_attribute(Bonded self, StringKey a0)
1278  remove_attribute(Bonded self, ParticleIndexKey a0)
1279  remove_attribute(Bonded self, ObjectKey a0)
1280  """
1281  return _IMP_atom.Bonded_remove_attribute(self, *args)
1282 
1283  def has_attribute(self, *args):
1284  """
1285  has_attribute(Bonded self, FloatKey a0) -> bool
1286  has_attribute(Bonded self, IntKey a0) -> bool
1287  has_attribute(Bonded self, StringKey a0) -> bool
1288  has_attribute(Bonded self, ParticleIndexKey a0) -> bool
1289  has_attribute(Bonded self, ObjectKey a0) -> bool
1290  """
1291  return _IMP_atom.Bonded_has_attribute(self, *args)
1292 
1293  def get_derivative(self, *args):
1294  """get_derivative(Bonded self, FloatKey a0) -> double"""
1295  return _IMP_atom.Bonded_get_derivative(self, *args)
1296 
1297  def get_name(self):
1298  """get_name(Bonded self) -> std::string"""
1299  return _IMP_atom.Bonded_get_name(self)
1300 
1301  def clear_caches(self):
1302  """clear_caches(Bonded self)"""
1303  return _IMP_atom.Bonded_clear_caches(self)
1304 
1305  def set_name(self, *args):
1306  """set_name(Bonded self, std::string a0)"""
1307  return _IMP_atom.Bonded_set_name(self, *args)
1308 
1309  def set_check_level(self, *args):
1310  """set_check_level(Bonded self, IMP::base::CheckLevel a0)"""
1311  return _IMP_atom.Bonded_set_check_level(self, *args)
1312 
1313  def add_to_derivative(self, *args):
1314  """add_to_derivative(Bonded self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1315  return _IMP_atom.Bonded_add_to_derivative(self, *args)
1316 
1317  def set_is_optimized(self, *args):
1318  """set_is_optimized(Bonded self, FloatKey a0, bool a1)"""
1319  return _IMP_atom.Bonded_set_is_optimized(self, *args)
1320 
1321  def get_is_optimized(self, *args):
1322  """get_is_optimized(Bonded self, FloatKey a0) -> bool"""
1323  return _IMP_atom.Bonded_get_is_optimized(self, *args)
1324 
1325  def get_check_level(self):
1326  """get_check_level(Bonded self) -> IMP::base::CheckLevel"""
1327  return _IMP_atom.Bonded_get_check_level(self)
1328 
1329  def __eq__(self, *args):
1330  """
1331  __eq__(Bonded self, Bonded o) -> bool
1332  __eq__(Bonded self, Particle d) -> bool
1333  """
1334  return _IMP_atom.Bonded___eq__(self, *args)
1335 
1336  def __ne__(self, *args):
1337  """
1338  __ne__(Bonded self, Bonded o) -> bool
1339  __ne__(Bonded self, Particle d) -> bool
1340  """
1341  return _IMP_atom.Bonded___ne__(self, *args)
1342 
1343  def __le__(self, *args):
1344  """
1345  __le__(Bonded self, Bonded o) -> bool
1346  __le__(Bonded self, Particle d) -> bool
1347  """
1348  return _IMP_atom.Bonded___le__(self, *args)
1349 
1350  def __lt__(self, *args):
1351  """
1352  __lt__(Bonded self, Bonded o) -> bool
1353  __lt__(Bonded self, Particle d) -> bool
1354  """
1355  return _IMP_atom.Bonded___lt__(self, *args)
1356 
1357  def __ge__(self, *args):
1358  """
1359  __ge__(Bonded self, Bonded o) -> bool
1360  __ge__(Bonded self, Particle d) -> bool
1361  """
1362  return _IMP_atom.Bonded___ge__(self, *args)
1363 
1364  def __gt__(self, *args):
1365  """
1366  __gt__(Bonded self, Bonded o) -> bool
1367  __gt__(Bonded self, Particle d) -> bool
1368  """
1369  return _IMP_atom.Bonded___gt__(self, *args)
1370 
1371  def __str__(self):
1372  """__str__(Bonded self) -> std::string"""
1373  return _IMP_atom.Bonded___str__(self)
1374 
1375  def __repr__(self):
1376  """__repr__(Bonded self) -> std::string"""
1377  return _IMP_atom.Bonded___repr__(self)
1378 
1379  __swig_destroy__ = _IMP_atom.delete_Bonded
1380  __del__ = lambda self : None;
1381 Bonded_swigregister = _IMP_atom.Bonded_swigregister
1382 Bonded_swigregister(Bonded)
1383 
1384 def Bonded_setup_particle(*args):
1385  """
1386  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> Bonded
1387  Bonded_setup_particle(_ParticleAdaptor decorator) -> Bonded
1388  """
1389  return _IMP_atom.Bonded_setup_particle(*args)
1390 
1391 def Bonded_get_is_setup(*args):
1392  """
1393  get_is_setup(_ParticleAdaptor p) -> bool
1394  Bonded_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
1395  """
1396  return _IMP_atom.Bonded_get_is_setup(*args)
1397 
1398 
1399 def create_custom_bond(*args):
1400  """
1401  create_custom_bond(Bonded a, Bonded b, IMP::Float length, IMP::Float stiffness=-1) -> Bond
1402  create_custom_bond(Bonded a, Bonded b, IMP::Float length) -> Bond
1403  """
1404  return _IMP_atom.create_custom_bond(*args)
1405 
1406 def create_bond(*args):
1407  """
1408  create_bond(Bonded a, Bonded b, IMP::Int t) -> Bond
1409  create_bond(Bonded a, Bonded b, Bond o) -> Bond
1410  """
1411  return _IMP_atom.create_bond(*args)
1412 
1413 def destroy_bond(*args):
1414  """destroy_bond(Bond b)"""
1415  return _IMP_atom.destroy_bond(*args)
1416 
1417 def get_bond(*args):
1418  """get_bond(Bonded a, Bonded b) -> Bond"""
1419  return _IMP_atom.get_bond(*args)
1420 class BondGeometry(IMP.display.SingletonGeometry):
1421  """Proxy of C++ IMP::atom::BondGeometry class"""
1422  __swig_setmethods__ = {}
1423  for _s in [IMP.display.SingletonGeometry]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
1424  __setattr__ = lambda self, name, value: _swig_setattr(self, BondGeometry, name, value)
1425  __swig_getmethods__ = {}
1426  for _s in [IMP.display.SingletonGeometry]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
1427  __getattr__ = lambda self, name: _swig_getattr(self, BondGeometry, name)
1428  def __init__(self, *args):
1429  """
1430  __init__(IMP::atom::BondGeometry self, Particle p) -> BondGeometry
1431  __init__(IMP::atom::BondGeometry self, Bond d) -> BondGeometry
1432  """
1433  this = _IMP_atom.new_BondGeometry(*args)
1434  try: self.this.append(this)
1435  except: self.this = this
1436  def get_version_info(self):
1437  """get_version_info(BondGeometry self) -> VersionInfo"""
1438  return _IMP_atom.BondGeometry_get_version_info(self)
1439 
1440  def __str__(self):
1441  """__str__(BondGeometry self) -> std::string"""
1442  return _IMP_atom.BondGeometry___str__(self)
1443 
1444  def __repr__(self):
1445  """__repr__(BondGeometry self) -> std::string"""
1446  return _IMP_atom.BondGeometry___repr__(self)
1447 
1448  def get_from(o):
1449  return _object_cast_to_BondGeometry(o)
1450  get_from = staticmethod(get_from)
1451 
1452 BondGeometry_swigregister = _IMP_atom.BondGeometry_swigregister
1453 BondGeometry_swigregister(BondGeometry)
1454 
1455 class BondsGeometry(IMP.display.SingletonsGeometry):
1456  """Proxy of C++ IMP::atom::BondsGeometry class"""
1457  __swig_setmethods__ = {}
1458  for _s in [IMP.display.SingletonsGeometry]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
1459  __setattr__ = lambda self, name, value: _swig_setattr(self, BondsGeometry, name, value)
1460  __swig_getmethods__ = {}
1461  for _s in [IMP.display.SingletonsGeometry]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
1462  __getattr__ = lambda self, name: _swig_getattr(self, BondsGeometry, name)
1463  def __init__(self, *args):
1464  """__init__(IMP::atom::BondsGeometry self, SingletonContainer sc) -> BondsGeometry"""
1465  this = _IMP_atom.new_BondsGeometry(*args)
1466  try: self.this.append(this)
1467  except: self.this = this
1468  def get_version_info(self):
1469  """get_version_info(BondsGeometry self) -> VersionInfo"""
1470  return _IMP_atom.BondsGeometry_get_version_info(self)
1471 
1472  def __str__(self):
1473  """__str__(BondsGeometry self) -> std::string"""
1474  return _IMP_atom.BondsGeometry___str__(self)
1475 
1476  def __repr__(self):
1477  """__repr__(BondsGeometry self) -> std::string"""
1478  return _IMP_atom.BondsGeometry___repr__(self)
1479 
1480  def get_from(o):
1481  return _object_cast_to_BondsGeometry(o)
1482  get_from = staticmethod(get_from)
1483 
1484 BondsGeometry_swigregister = _IMP_atom.BondsGeometry_swigregister
1485 BondsGeometry_swigregister(BondsGeometry)
1486 
1487 class Hierarchy(IMP.core.Hierarchy):
1488  """Proxy of C++ IMP::atom::Hierarchy class"""
1489  __swig_setmethods__ = {}
1490  for _s in [IMP.core.Hierarchy]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
1491  __setattr__ = lambda self, name, value: _swig_setattr(self, Hierarchy, name, value)
1492  __swig_getmethods__ = {}
1493  for _s in [IMP.core.Hierarchy]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
1494  __getattr__ = lambda self, name: _swig_getattr(self, Hierarchy, name)
1495  def decorate_particle(*args):
1496  """decorate_particle(Particle p) -> Hierarchy"""
1497  return _IMP_atom.Hierarchy_decorate_particle(*args)
1498 
1499  if _newclass:decorate_particle = staticmethod(decorate_particle)
1500  __swig_getmethods__["decorate_particle"] = lambda x: decorate_particle
1501  def particle_is_instance(*args):
1502  """
1503  particle_is_instance(Particle p) -> bool
1504  particle_is_instance(Model m, IMP::kernel::ParticleIndex p) -> bool
1505  """
1506  return _IMP_atom.Hierarchy_particle_is_instance(*args)
1507 
1508  if _newclass:particle_is_instance = staticmethod(particle_is_instance)
1509  __swig_getmethods__["particle_is_instance"] = lambda x: particle_is_instance
1510  def __init__(self, *args):
1511  """
1512  __init__(IMP::atom::Hierarchy self, Model m, IMP::kernel::ParticleIndex pi) -> Hierarchy
1513  __init__(IMP::atom::Hierarchy self, _ParticleAdaptor pi) -> Hierarchy
1514  __init__(IMP::atom::Hierarchy self) -> Hierarchy
1515  __init__(IMP::atom::Hierarchy self, Hierarchy h) -> Hierarchy
1516  """
1517  this = _IMP_atom.new_Hierarchy(*args)
1518  try: self.this.append(this)
1519  except: self.this = this
1520  def setup_particle(*args):
1521  """
1522  setup_particle(Particle p, _ParticleIndexesAdaptor children) -> Hierarchy
1523  setup_particle(Particle p) -> Hierarchy
1524  setup_particle(Model m, IMP::kernel::ParticleIndex pi, _ParticleIndexesAdaptor children=IMP::kernel::ParticleIndexesAdaptor()) -> Hierarchy
1525  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> Hierarchy
1526  """
1527  return _IMP_atom.Hierarchy_setup_particle(*args)
1528 
1529  if _newclass:setup_particle = staticmethod(setup_particle)
1530  __swig_getmethods__["setup_particle"] = lambda x: setup_particle
1531  def get_is_setup(*args):
1532  """
1533  get_is_setup(Particle p) -> bool
1534  get_is_setup(Model m, IMP::kernel::ParticleIndex p) -> bool
1535  """
1536  return _IMP_atom.Hierarchy_get_is_setup(*args)
1537 
1538  if _newclass:get_is_setup = staticmethod(get_is_setup)
1539  __swig_getmethods__["get_is_setup"] = lambda x: get_is_setup
1540  def get_is_valid(self, *args):
1541  """get_is_valid(Hierarchy self, bool print_info) -> bool"""
1542  return _IMP_atom.Hierarchy_get_is_valid(self, *args)
1543 
1544  def add_child(self, *args):
1545  """add_child(Hierarchy self, Hierarchy o)"""
1546  return _IMP_atom.Hierarchy_add_child(self, *args)
1547 
1548  def get_child(self, *args):
1549  """get_child(Hierarchy self, unsigned int i) -> Hierarchy"""
1550  return _IMP_atom.Hierarchy_get_child(self, *args)
1551 
1552  def get_children(self):
1553  """get_children(Hierarchy self) -> IMP::atom::Hierarchies"""
1554  return _IMP_atom.Hierarchy_get_children(self)
1555 
1556  def get_parent(self):
1557  """get_parent(Hierarchy self) -> Hierarchy"""
1558  return _IMP_atom.Hierarchy_get_parent(self)
1559 
1560  def get_as_atom(self):
1561  """get_as_atom(Hierarchy self) -> Atom"""
1562  return _IMP_atom.Hierarchy_get_as_atom(self)
1563 
1564  def get_as_residue(self):
1565  """get_as_residue(Hierarchy self) -> Residue"""
1566  return _IMP_atom.Hierarchy_get_as_residue(self)
1567 
1568  def get_as_chain(self):
1569  """get_as_chain(Hierarchy self) -> Chain"""
1570  return _IMP_atom.Hierarchy_get_as_chain(self)
1571 
1572  def get_as_molecule(self):
1573  """get_as_molecule(Hierarchy self) -> Molecule"""
1574  return _IMP_atom.Hierarchy_get_as_molecule(self)
1575 
1576  def get_as_domain(self):
1577  """get_as_domain(Hierarchy self) -> Domain"""
1578  return _IMP_atom.Hierarchy_get_as_domain(self)
1579 
1580  def get_as_fragment(self):
1581  """get_as_fragment(Hierarchy self) -> Fragment"""
1582  return _IMP_atom.Hierarchy_get_as_fragment(self)
1583 
1584  def get_as_xyz(self):
1585  """get_as_xyz(Hierarchy self) -> XYZ"""
1586  return _IMP_atom.Hierarchy_get_as_xyz(self)
1587 
1588  def get_as_xyzr(self):
1589  """get_as_xyzr(Hierarchy self) -> XYZR"""
1590  return _IMP_atom.Hierarchy_get_as_xyzr(self)
1591 
1592  def get_as_mass(self):
1593  """get_as_mass(Hierarchy self) -> Mass"""
1594  return _IMP_atom.Hierarchy_get_as_mass(self)
1595 
1596  def get_as_state(self):
1597  """get_as_state(Hierarchy self) -> State"""
1598  return _IMP_atom.Hierarchy_get_as_state(self)
1599 
1600  def get_traits():
1601  """get_traits() -> HierarchyTraits"""
1602  return _IMP_atom.Hierarchy_get_traits()
1603 
1604  if _newclass:get_traits = staticmethod(get_traits)
1605  __swig_getmethods__["get_traits"] = lambda x: get_traits
1606  def show(self, *args):
1607  """
1608  show(Hierarchy self, _ostream out, std::string delimiter)
1609  show(Hierarchy self, _ostream out=std::cout)
1610  show(Hierarchy self)
1611  """
1612  return _IMP_atom.Hierarchy_show(self, *args)
1613 
1614  def add_attribute(self, *args):
1615  """
1616  add_attribute(Hierarchy self, FloatKey k, IMP::Float v, bool opt)
1617  add_attribute(Hierarchy self, FloatKey a0, IMP::Float a1)
1618  add_attribute(Hierarchy self, IntKey a0, IMP::Int a1)
1619  add_attribute(Hierarchy self, StringKey a0, IMP::String a1)
1620  add_attribute(Hierarchy self, ParticleIndexKey a0, Particle a1)
1621  add_attribute(Hierarchy self, ObjectKey a0, Object a1)
1622  """
1623  return _IMP_atom.Hierarchy_add_attribute(self, *args)
1624 
1625  def get_value(self, *args):
1626  """
1627  get_value(Hierarchy self, FloatKey a0) -> IMP::Float
1628  get_value(Hierarchy self, IntKey a0) -> IMP::Int
1629  get_value(Hierarchy self, StringKey a0) -> IMP::String
1630  get_value(Hierarchy self, ParticleIndexKey a0) -> Particle
1631  get_value(Hierarchy self, ObjectKey a0) -> Object
1632  """
1633  return _IMP_atom.Hierarchy_get_value(self, *args)
1634 
1635  def set_value(self, *args):
1636  """
1637  set_value(Hierarchy self, FloatKey a0, IMP::Float a1)
1638  set_value(Hierarchy self, IntKey a0, IMP::Int a1)
1639  set_value(Hierarchy self, StringKey a0, IMP::String a1)
1640  set_value(Hierarchy self, ParticleIndexKey a0, Particle a1)
1641  set_value(Hierarchy self, ObjectKey a0, Object a1)
1642  """
1643  return _IMP_atom.Hierarchy_set_value(self, *args)
1644 
1645  def remove_attribute(self, *args):
1646  """
1647  remove_attribute(Hierarchy self, FloatKey a0)
1648  remove_attribute(Hierarchy self, IntKey a0)
1649  remove_attribute(Hierarchy self, StringKey a0)
1650  remove_attribute(Hierarchy self, ParticleIndexKey a0)
1651  remove_attribute(Hierarchy self, ObjectKey a0)
1652  """
1653  return _IMP_atom.Hierarchy_remove_attribute(self, *args)
1654 
1655  def has_attribute(self, *args):
1656  """
1657  has_attribute(Hierarchy self, FloatKey a0) -> bool
1658  has_attribute(Hierarchy self, IntKey a0) -> bool
1659  has_attribute(Hierarchy self, StringKey a0) -> bool
1660  has_attribute(Hierarchy self, ParticleIndexKey a0) -> bool
1661  has_attribute(Hierarchy self, ObjectKey a0) -> bool
1662  """
1663  return _IMP_atom.Hierarchy_has_attribute(self, *args)
1664 
1665  def get_derivative(self, *args):
1666  """get_derivative(Hierarchy self, FloatKey a0) -> double"""
1667  return _IMP_atom.Hierarchy_get_derivative(self, *args)
1668 
1669  def get_name(self):
1670  """get_name(Hierarchy self) -> std::string"""
1671  return _IMP_atom.Hierarchy_get_name(self)
1672 
1673  def clear_caches(self):
1674  """clear_caches(Hierarchy self)"""
1675  return _IMP_atom.Hierarchy_clear_caches(self)
1676 
1677  def set_name(self, *args):
1678  """set_name(Hierarchy self, std::string a0)"""
1679  return _IMP_atom.Hierarchy_set_name(self, *args)
1680 
1681  def set_check_level(self, *args):
1682  """set_check_level(Hierarchy self, IMP::base::CheckLevel a0)"""
1683  return _IMP_atom.Hierarchy_set_check_level(self, *args)
1684 
1685  def add_to_derivative(self, *args):
1686  """add_to_derivative(Hierarchy self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1687  return _IMP_atom.Hierarchy_add_to_derivative(self, *args)
1688 
1689  def set_is_optimized(self, *args):
1690  """set_is_optimized(Hierarchy self, FloatKey a0, bool a1)"""
1691  return _IMP_atom.Hierarchy_set_is_optimized(self, *args)
1692 
1693  def get_is_optimized(self, *args):
1694  """get_is_optimized(Hierarchy self, FloatKey a0) -> bool"""
1695  return _IMP_atom.Hierarchy_get_is_optimized(self, *args)
1696 
1697  def get_check_level(self):
1698  """get_check_level(Hierarchy self) -> IMP::base::CheckLevel"""
1699  return _IMP_atom.Hierarchy_get_check_level(self)
1700 
1701  def __eq__(self, *args):
1702  """
1703  __eq__(Hierarchy self, Hierarchy o) -> bool
1704  __eq__(Hierarchy self, Particle d) -> bool
1705  """
1706  return _IMP_atom.Hierarchy___eq__(self, *args)
1707 
1708  def __ne__(self, *args):
1709  """
1710  __ne__(Hierarchy self, Hierarchy o) -> bool
1711  __ne__(Hierarchy self, Particle d) -> bool
1712  """
1713  return _IMP_atom.Hierarchy___ne__(self, *args)
1714 
1715  def __le__(self, *args):
1716  """
1717  __le__(Hierarchy self, Hierarchy o) -> bool
1718  __le__(Hierarchy self, Particle d) -> bool
1719  """
1720  return _IMP_atom.Hierarchy___le__(self, *args)
1721 
1722  def __lt__(self, *args):
1723  """
1724  __lt__(Hierarchy self, Hierarchy o) -> bool
1725  __lt__(Hierarchy self, Particle d) -> bool
1726  """
1727  return _IMP_atom.Hierarchy___lt__(self, *args)
1728 
1729  def __ge__(self, *args):
1730  """
1731  __ge__(Hierarchy self, Hierarchy o) -> bool
1732  __ge__(Hierarchy self, Particle d) -> bool
1733  """
1734  return _IMP_atom.Hierarchy___ge__(self, *args)
1735 
1736  def __gt__(self, *args):
1737  """
1738  __gt__(Hierarchy self, Hierarchy o) -> bool
1739  __gt__(Hierarchy self, Particle d) -> bool
1740  """
1741  return _IMP_atom.Hierarchy___gt__(self, *args)
1742 
1743  def __str__(self):
1744  """__str__(Hierarchy self) -> std::string"""
1745  return _IMP_atom.Hierarchy___str__(self)
1746 
1747  def __repr__(self):
1748  """__repr__(Hierarchy self) -> std::string"""
1749  return _IMP_atom.Hierarchy___repr__(self)
1750 
1751  __swig_destroy__ = _IMP_atom.delete_Hierarchy
1752  __del__ = lambda self : None;
1753 Hierarchy_swigregister = _IMP_atom.Hierarchy_swigregister
1754 Hierarchy_swigregister(Hierarchy)
1755 
1756 def Hierarchy_decorate_particle(*args):
1757  """Hierarchy_decorate_particle(Particle p) -> Hierarchy"""
1758  return _IMP_atom.Hierarchy_decorate_particle(*args)
1759 
1760 def Hierarchy_particle_is_instance(*args):
1761  """
1762  particle_is_instance(Particle p) -> bool
1763  Hierarchy_particle_is_instance(Model m, IMP::kernel::ParticleIndex p) -> bool
1764  """
1765  return _IMP_atom.Hierarchy_particle_is_instance(*args)
1766 
1767 def Hierarchy_setup_particle(*args):
1768  """
1769  setup_particle(Particle p, _ParticleIndexesAdaptor children) -> Hierarchy
1770  setup_particle(Particle p) -> Hierarchy
1771  setup_particle(Model m, IMP::kernel::ParticleIndex pi, _ParticleIndexesAdaptor children=IMP::kernel::ParticleIndexesAdaptor()) -> Hierarchy
1772  Hierarchy_setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> Hierarchy
1773  """
1774  return _IMP_atom.Hierarchy_setup_particle(*args)
1775 
1776 def Hierarchy_get_is_setup(*args):
1777  """
1778  get_is_setup(Particle p) -> bool
1779  Hierarchy_get_is_setup(Model m, IMP::kernel::ParticleIndex p) -> bool
1780  """
1781  return _IMP_atom.Hierarchy_get_is_setup(*args)
1782 
1783 def Hierarchy_get_traits():
1784  """Hierarchy_get_traits() -> HierarchyTraits"""
1785  return _IMP_atom.Hierarchy_get_traits()
1786 
1787 ATOM_TYPE = _IMP_atom.ATOM_TYPE
1788 RESIDUE_TYPE = _IMP_atom.RESIDUE_TYPE
1789 CHAIN_TYPE = _IMP_atom.CHAIN_TYPE
1790 MOLECULE_TYPE = _IMP_atom.MOLECULE_TYPE
1791 DOMAIN_TYPE = _IMP_atom.DOMAIN_TYPE
1792 FRAGMENT_TYPE = _IMP_atom.FRAGMENT_TYPE
1793 XYZ_TYPE = _IMP_atom.XYZ_TYPE
1794 XYZR_TYPE = _IMP_atom.XYZR_TYPE
1795 MASS_TYPE = _IMP_atom.MASS_TYPE
1796 STATE_TYPE = _IMP_atom.STATE_TYPE
1797 
1798 def get_by_type(*args):
1799  """get_by_type(Hierarchy mhd, IMP::atom::GetByType t) -> IMP::atom::Hierarchies"""
1800  return _IMP_atom.get_by_type(*args)
1801 
1802 def create_fragment(*args):
1803  """create_fragment(IMP::atom::Hierarchies const & ps) -> Hierarchy"""
1804  return _IMP_atom.create_fragment(*args)
1805 
1806 def get_internal_bonds(*args):
1807  """get_internal_bonds(Hierarchy mhd) -> IMP::atom::Bonds"""
1808  return _IMP_atom.get_internal_bonds(*args)
1809 
1810 def get_root(*args):
1811  """get_root(Hierarchy h) -> Hierarchy"""
1812  return _IMP_atom.get_root(*args)
1813 
1814 def show(*args):
1815  """
1816  show(Hierarchy h, _ostream out=std::cout)
1817  show(Hierarchy h)
1818  """
1819  return _IMP_atom.show(*args)
1820 
1821 def create_rigid_body(*args):
1822  """
1823  create_rigid_body(IMP::atom::Hierarchies const & h, std::string name=std::string("created rigid body")) -> RigidBody
1824  create_rigid_body(IMP::atom::Hierarchies const & h) -> RigidBody
1825  create_rigid_body(Hierarchy h) -> RigidBody
1826  """
1827  return _IMP_atom.create_rigid_body(*args)
1828 
1829 def create_compatible_rigid_body(*args):
1830  """create_compatible_rigid_body(Hierarchy h, Hierarchy reference) -> RigidBody"""
1831  return _IMP_atom.create_compatible_rigid_body(*args)
1832 
1833 def setup_as_rigid_body(*args):
1834  """setup_as_rigid_body(Hierarchy h) -> RigidBody"""
1835  return _IMP_atom.setup_as_rigid_body(*args)
1836 
1837 def get_is_heterogen(*args):
1838  """get_is_heterogen(Hierarchy h) -> bool"""
1839  return _IMP_atom.get_is_heterogen(*args)
1840 
1841 def create_clone(*args):
1842  """create_clone(Hierarchy d) -> Hierarchy"""
1843  return _IMP_atom.create_clone(*args)
1844 
1845 def create_clone_one(*args):
1846  """create_clone_one(Hierarchy d) -> Hierarchy"""
1847  return _IMP_atom.create_clone_one(*args)
1848 
1849 def destroy(*args):
1850  """destroy(Hierarchy d)"""
1851  return _IMP_atom.destroy(*args)
1852 
1853 def get_bounding_box(*args):
1854  """get_bounding_box(Hierarchy h) -> BoundingBox3D"""
1855  return _IMP_atom.get_bounding_box(*args)
1856 
1857 def get_bounding_sphere(*args):
1858  """get_bounding_sphere(Hierarchy h) -> Sphere3D"""
1859  return _IMP_atom.get_bounding_sphere(*args)
1860 class Angle(IMP.kernel.Decorator):
1861  """Proxy of C++ IMP::atom::Angle class"""
1862  __swig_setmethods__ = {}
1863  for _s in [IMP.kernel.Decorator]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
1864  __setattr__ = lambda self, name, value: _swig_setattr(self, Angle, name, value)
1865  __swig_getmethods__ = {}
1866  for _s in [IMP.kernel.Decorator]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
1867  __getattr__ = lambda self, name: _swig_getattr(self, Angle, name)
1868  def __init__(self, *args):
1869  """
1870  __init__(IMP::atom::Angle self) -> Angle
1871  __init__(IMP::atom::Angle self, Model m, ::IMP::kernel::ParticleIndex id) -> Angle
1872  __init__(IMP::atom::Angle self, _ParticleAdaptor d) -> Angle
1873  """
1874  this = _IMP_atom.new_Angle(*args)
1875  try: self.this.append(this)
1876  except: self.this = this
1877  def show(self, *args):
1878  """
1879  show(Angle self, _ostream out=std::cout)
1880  show(Angle self)
1881  """
1882  return _IMP_atom.Angle_show(self, *args)
1883 
1884  def setup_particle(*args):
1885  """
1886  setup_particle(Model m, IMP::kernel::ParticleIndex pi, XYZ a, XYZ b, XYZ c) -> Angle
1887  setup_particle(_ParticleAdaptor decorator, XYZ a, XYZ b, XYZ c) -> Angle
1888  """
1889  return _IMP_atom.Angle_setup_particle(*args)
1890 
1891  if _newclass:setup_particle = staticmethod(setup_particle)
1892  __swig_getmethods__["setup_particle"] = lambda x: setup_particle
1893  def get_is_setup(*args):
1894  """
1895  get_is_setup(_ParticleAdaptor p) -> bool
1896  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
1897  """
1898  return _IMP_atom.Angle_get_is_setup(*args)
1899 
1900  if _newclass:get_is_setup = staticmethod(get_is_setup)
1901  __swig_getmethods__["get_is_setup"] = lambda x: get_is_setup
1902  def get_particle(self, *args):
1903  """
1904  get_particle(Angle self) -> Particle
1905  get_particle(Angle self, unsigned int i) -> Particle
1906  """
1907  return _IMP_atom.Angle_get_particle(self, *args)
1908 
1909  def get_ideal(self):
1910  """get_ideal(Angle self) -> IMP::Float"""
1911  return _IMP_atom.Angle_get_ideal(self)
1912 
1913  def set_ideal(self, *args):
1914  """set_ideal(Angle self, IMP::Float t)"""
1915  return _IMP_atom.Angle_set_ideal(self, *args)
1916 
1917  def get_stiffness(self):
1918  """get_stiffness(Angle self) -> IMP::Float"""
1919  return _IMP_atom.Angle_get_stiffness(self)
1920 
1921  def set_stiffness(self, *args):
1922  """set_stiffness(Angle self, IMP::Float t)"""
1923  return _IMP_atom.Angle_set_stiffness(self, *args)
1924 
1925  def get_particle_key(*args):
1926  """get_particle_key(unsigned int i) -> ParticleIndexKey"""
1927  return _IMP_atom.Angle_get_particle_key(*args)
1928 
1929  if _newclass:get_particle_key = staticmethod(get_particle_key)
1930  __swig_getmethods__["get_particle_key"] = lambda x: get_particle_key
1931  def get_ideal_key():
1932  """get_ideal_key() -> FloatKey"""
1933  return _IMP_atom.Angle_get_ideal_key()
1934 
1935  if _newclass:get_ideal_key = staticmethod(get_ideal_key)
1936  __swig_getmethods__["get_ideal_key"] = lambda x: get_ideal_key
1937  def get_stiffness_key():
1938  """get_stiffness_key() -> FloatKey"""
1939  return _IMP_atom.Angle_get_stiffness_key()
1940 
1941  if _newclass:get_stiffness_key = staticmethod(get_stiffness_key)
1942  __swig_getmethods__["get_stiffness_key"] = lambda x: get_stiffness_key
1943  def add_attribute(self, *args):
1944  """
1945  add_attribute(Angle self, FloatKey k, IMP::Float v, bool opt)
1946  add_attribute(Angle self, FloatKey a0, IMP::Float a1)
1947  add_attribute(Angle self, IntKey a0, IMP::Int a1)
1948  add_attribute(Angle self, StringKey a0, IMP::String a1)
1949  add_attribute(Angle self, ParticleIndexKey a0, Particle a1)
1950  add_attribute(Angle self, ObjectKey a0, Object a1)
1951  """
1952  return _IMP_atom.Angle_add_attribute(self, *args)
1953 
1954  def get_value(self, *args):
1955  """
1956  get_value(Angle self, FloatKey a0) -> IMP::Float
1957  get_value(Angle self, IntKey a0) -> IMP::Int
1958  get_value(Angle self, StringKey a0) -> IMP::String
1959  get_value(Angle self, ParticleIndexKey a0) -> Particle
1960  get_value(Angle self, ObjectKey a0) -> Object
1961  """
1962  return _IMP_atom.Angle_get_value(self, *args)
1963 
1964  def set_value(self, *args):
1965  """
1966  set_value(Angle self, FloatKey a0, IMP::Float a1)
1967  set_value(Angle self, IntKey a0, IMP::Int a1)
1968  set_value(Angle self, StringKey a0, IMP::String a1)
1969  set_value(Angle self, ParticleIndexKey a0, Particle a1)
1970  set_value(Angle self, ObjectKey a0, Object a1)
1971  """
1972  return _IMP_atom.Angle_set_value(self, *args)
1973 
1974  def remove_attribute(self, *args):
1975  """
1976  remove_attribute(Angle self, FloatKey a0)
1977  remove_attribute(Angle self, IntKey a0)
1978  remove_attribute(Angle self, StringKey a0)
1979  remove_attribute(Angle self, ParticleIndexKey a0)
1980  remove_attribute(Angle self, ObjectKey a0)
1981  """
1982  return _IMP_atom.Angle_remove_attribute(self, *args)
1983 
1984  def has_attribute(self, *args):
1985  """
1986  has_attribute(Angle self, FloatKey a0) -> bool
1987  has_attribute(Angle self, IntKey a0) -> bool
1988  has_attribute(Angle self, StringKey a0) -> bool
1989  has_attribute(Angle self, ParticleIndexKey a0) -> bool
1990  has_attribute(Angle self, ObjectKey a0) -> bool
1991  """
1992  return _IMP_atom.Angle_has_attribute(self, *args)
1993 
1994  def get_derivative(self, *args):
1995  """get_derivative(Angle self, FloatKey a0) -> double"""
1996  return _IMP_atom.Angle_get_derivative(self, *args)
1997 
1998  def get_name(self):
1999  """get_name(Angle self) -> std::string"""
2000  return _IMP_atom.Angle_get_name(self)
2001 
2002  def clear_caches(self):
2003  """clear_caches(Angle self)"""
2004  return _IMP_atom.Angle_clear_caches(self)
2005 
2006  def set_name(self, *args):
2007  """set_name(Angle self, std::string a0)"""
2008  return _IMP_atom.Angle_set_name(self, *args)
2009 
2010  def set_check_level(self, *args):
2011  """set_check_level(Angle self, IMP::base::CheckLevel a0)"""
2012  return _IMP_atom.Angle_set_check_level(self, *args)
2013 
2014  def add_to_derivative(self, *args):
2015  """add_to_derivative(Angle self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2016  return _IMP_atom.Angle_add_to_derivative(self, *args)
2017 
2018  def set_is_optimized(self, *args):
2019  """set_is_optimized(Angle self, FloatKey a0, bool a1)"""
2020  return _IMP_atom.Angle_set_is_optimized(self, *args)
2021 
2022  def get_is_optimized(self, *args):
2023  """get_is_optimized(Angle self, FloatKey a0) -> bool"""
2024  return _IMP_atom.Angle_get_is_optimized(self, *args)
2025 
2026  def get_check_level(self):
2027  """get_check_level(Angle self) -> IMP::base::CheckLevel"""
2028  return _IMP_atom.Angle_get_check_level(self)
2029 
2030  def __eq__(self, *args):
2031  """
2032  __eq__(Angle self, Angle o) -> bool
2033  __eq__(Angle self, Particle d) -> bool
2034  """
2035  return _IMP_atom.Angle___eq__(self, *args)
2036 
2037  def __ne__(self, *args):
2038  """
2039  __ne__(Angle self, Angle o) -> bool
2040  __ne__(Angle self, Particle d) -> bool
2041  """
2042  return _IMP_atom.Angle___ne__(self, *args)
2043 
2044  def __le__(self, *args):
2045  """
2046  __le__(Angle self, Angle o) -> bool
2047  __le__(Angle self, Particle d) -> bool
2048  """
2049  return _IMP_atom.Angle___le__(self, *args)
2050 
2051  def __lt__(self, *args):
2052  """
2053  __lt__(Angle self, Angle o) -> bool
2054  __lt__(Angle self, Particle d) -> bool
2055  """
2056  return _IMP_atom.Angle___lt__(self, *args)
2057 
2058  def __ge__(self, *args):
2059  """
2060  __ge__(Angle self, Angle o) -> bool
2061  __ge__(Angle self, Particle d) -> bool
2062  """
2063  return _IMP_atom.Angle___ge__(self, *args)
2064 
2065  def __gt__(self, *args):
2066  """
2067  __gt__(Angle self, Angle o) -> bool
2068  __gt__(Angle self, Particle d) -> bool
2069  """
2070  return _IMP_atom.Angle___gt__(self, *args)
2071 
2072  def __str__(self):
2073  """__str__(Angle self) -> std::string"""
2074  return _IMP_atom.Angle___str__(self)
2075 
2076  def __repr__(self):
2077  """__repr__(Angle self) -> std::string"""
2078  return _IMP_atom.Angle___repr__(self)
2079 
2080  __swig_destroy__ = _IMP_atom.delete_Angle
2081  __del__ = lambda self : None;
2082 Angle_swigregister = _IMP_atom.Angle_swigregister
2083 Angle_swigregister(Angle)
2084 
2085 def Angle_setup_particle(*args):
2086  """
2087  setup_particle(Model m, IMP::kernel::ParticleIndex pi, XYZ a, XYZ b, XYZ c) -> Angle
2088  Angle_setup_particle(_ParticleAdaptor decorator, XYZ a, XYZ b, XYZ c) -> Angle
2089  """
2090  return _IMP_atom.Angle_setup_particle(*args)
2091 
2092 def Angle_get_is_setup(*args):
2093  """
2094  get_is_setup(_ParticleAdaptor p) -> bool
2095  Angle_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
2096  """
2097  return _IMP_atom.Angle_get_is_setup(*args)
2098 
2099 def Angle_get_particle_key(*args):
2100  """Angle_get_particle_key(unsigned int i) -> ParticleIndexKey"""
2101  return _IMP_atom.Angle_get_particle_key(*args)
2102 
2103 def Angle_get_ideal_key():
2104  """Angle_get_ideal_key() -> FloatKey"""
2105  return _IMP_atom.Angle_get_ideal_key()
2106 
2107 def Angle_get_stiffness_key():
2108  """Angle_get_stiffness_key() -> FloatKey"""
2109  return _IMP_atom.Angle_get_stiffness_key()
2110 
2111 class Dihedral(IMP.kernel.Decorator):
2112  """Proxy of C++ IMP::atom::Dihedral class"""
2113  __swig_setmethods__ = {}
2114  for _s in [IMP.kernel.Decorator]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
2115  __setattr__ = lambda self, name, value: _swig_setattr(self, Dihedral, name, value)
2116  __swig_getmethods__ = {}
2117  for _s in [IMP.kernel.Decorator]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
2118  __getattr__ = lambda self, name: _swig_getattr(self, Dihedral, name)
2119  def __init__(self, *args):
2120  """
2121  __init__(IMP::atom::Dihedral self) -> Dihedral
2122  __init__(IMP::atom::Dihedral self, Model m, ::IMP::kernel::ParticleIndex id) -> Dihedral
2123  __init__(IMP::atom::Dihedral self, _ParticleAdaptor d) -> Dihedral
2124  """
2125  this = _IMP_atom.new_Dihedral(*args)
2126  try: self.this.append(this)
2127  except: self.this = this
2128  def show(self, *args):
2129  """
2130  show(Dihedral self, _ostream out=std::cout)
2131  show(Dihedral self)
2132  """
2133  return _IMP_atom.Dihedral_show(self, *args)
2134 
2135  def setup_particle(*args):
2136  """
2137  setup_particle(Model m, IMP::kernel::ParticleIndex pi, XYZ a, XYZ b, XYZ c, XYZ d) -> Dihedral
2138  setup_particle(_ParticleAdaptor decorator, XYZ a, XYZ b, XYZ c, XYZ d) -> Dihedral
2139  """
2140  return _IMP_atom.Dihedral_setup_particle(*args)
2141 
2142  if _newclass:setup_particle = staticmethod(setup_particle)
2143  __swig_getmethods__["setup_particle"] = lambda x: setup_particle
2144  def get_is_setup(*args):
2145  """
2146  get_is_setup(_ParticleAdaptor p) -> bool
2147  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
2148  """
2149  return _IMP_atom.Dihedral_get_is_setup(*args)
2150 
2151  if _newclass:get_is_setup = staticmethod(get_is_setup)
2152  __swig_getmethods__["get_is_setup"] = lambda x: get_is_setup
2153  def get_particle(self, *args):
2154  """
2155  get_particle(Dihedral self) -> Particle
2156  get_particle(Dihedral self, unsigned int i) -> Particle
2157  """
2158  return _IMP_atom.Dihedral_get_particle(self, *args)
2159 
2160  def get_ideal(self):
2161  """get_ideal(Dihedral self) -> IMP::Float"""
2162  return _IMP_atom.Dihedral_get_ideal(self)
2163 
2164  def set_ideal(self, *args):
2165  """set_ideal(Dihedral self, IMP::Float t)"""
2166  return _IMP_atom.Dihedral_set_ideal(self, *args)
2167 
2168  def get_multiplicity(self):
2169  """get_multiplicity(Dihedral self) -> IMP::Int"""
2170  return _IMP_atom.Dihedral_get_multiplicity(self)
2171 
2172  def set_multiplicity(self, *args):
2173  """set_multiplicity(Dihedral self, IMP::Int t)"""
2174  return _IMP_atom.Dihedral_set_multiplicity(self, *args)
2175 
2176  def get_stiffness(self):
2177  """get_stiffness(Dihedral self) -> IMP::Float"""
2178  return _IMP_atom.Dihedral_get_stiffness(self)
2179 
2180  def set_stiffness(self, *args):
2181  """set_stiffness(Dihedral self, IMP::Float t)"""
2182  return _IMP_atom.Dihedral_set_stiffness(self, *args)
2183 
2184  def get_particle_key(*args):
2185  """get_particle_key(unsigned int i) -> ParticleIndexKey"""
2186  return _IMP_atom.Dihedral_get_particle_key(*args)
2187 
2188  if _newclass:get_particle_key = staticmethod(get_particle_key)
2189  __swig_getmethods__["get_particle_key"] = lambda x: get_particle_key
2190  def get_ideal_key():
2191  """get_ideal_key() -> FloatKey"""
2192  return _IMP_atom.Dihedral_get_ideal_key()
2193 
2194  if _newclass:get_ideal_key = staticmethod(get_ideal_key)
2195  __swig_getmethods__["get_ideal_key"] = lambda x: get_ideal_key
2196  def get_multiplicity_key():
2197  """get_multiplicity_key() -> IntKey"""
2198  return _IMP_atom.Dihedral_get_multiplicity_key()
2199 
2200  if _newclass:get_multiplicity_key = staticmethod(get_multiplicity_key)
2201  __swig_getmethods__["get_multiplicity_key"] = lambda x: get_multiplicity_key
2202  def get_stiffness_key():
2203  """get_stiffness_key() -> FloatKey"""
2204  return _IMP_atom.Dihedral_get_stiffness_key()
2205 
2206  if _newclass:get_stiffness_key = staticmethod(get_stiffness_key)
2207  __swig_getmethods__["get_stiffness_key"] = lambda x: get_stiffness_key
2208  def add_attribute(self, *args):
2209  """
2210  add_attribute(Dihedral self, FloatKey k, IMP::Float v, bool opt)
2211  add_attribute(Dihedral self, FloatKey a0, IMP::Float a1)
2212  add_attribute(Dihedral self, IntKey a0, IMP::Int a1)
2213  add_attribute(Dihedral self, StringKey a0, IMP::String a1)
2214  add_attribute(Dihedral self, ParticleIndexKey a0, Particle a1)
2215  add_attribute(Dihedral self, ObjectKey a0, Object a1)
2216  """
2217  return _IMP_atom.Dihedral_add_attribute(self, *args)
2218 
2219  def get_value(self, *args):
2220  """
2221  get_value(Dihedral self, FloatKey a0) -> IMP::Float
2222  get_value(Dihedral self, IntKey a0) -> IMP::Int
2223  get_value(Dihedral self, StringKey a0) -> IMP::String
2224  get_value(Dihedral self, ParticleIndexKey a0) -> Particle
2225  get_value(Dihedral self, ObjectKey a0) -> Object
2226  """
2227  return _IMP_atom.Dihedral_get_value(self, *args)
2228 
2229  def set_value(self, *args):
2230  """
2231  set_value(Dihedral self, FloatKey a0, IMP::Float a1)
2232  set_value(Dihedral self, IntKey a0, IMP::Int a1)
2233  set_value(Dihedral self, StringKey a0, IMP::String a1)
2234  set_value(Dihedral self, ParticleIndexKey a0, Particle a1)
2235  set_value(Dihedral self, ObjectKey a0, Object a1)
2236  """
2237  return _IMP_atom.Dihedral_set_value(self, *args)
2238 
2239  def remove_attribute(self, *args):
2240  """
2241  remove_attribute(Dihedral self, FloatKey a0)
2242  remove_attribute(Dihedral self, IntKey a0)
2243  remove_attribute(Dihedral self, StringKey a0)
2244  remove_attribute(Dihedral self, ParticleIndexKey a0)
2245  remove_attribute(Dihedral self, ObjectKey a0)
2246  """
2247  return _IMP_atom.Dihedral_remove_attribute(self, *args)
2248 
2249  def has_attribute(self, *args):
2250  """
2251  has_attribute(Dihedral self, FloatKey a0) -> bool
2252  has_attribute(Dihedral self, IntKey a0) -> bool
2253  has_attribute(Dihedral self, StringKey a0) -> bool
2254  has_attribute(Dihedral self, ParticleIndexKey a0) -> bool
2255  has_attribute(Dihedral self, ObjectKey a0) -> bool
2256  """
2257  return _IMP_atom.Dihedral_has_attribute(self, *args)
2258 
2259  def get_derivative(self, *args):
2260  """get_derivative(Dihedral self, FloatKey a0) -> double"""
2261  return _IMP_atom.Dihedral_get_derivative(self, *args)
2262 
2263  def get_name(self):
2264  """get_name(Dihedral self) -> std::string"""
2265  return _IMP_atom.Dihedral_get_name(self)
2266 
2267  def clear_caches(self):
2268  """clear_caches(Dihedral self)"""
2269  return _IMP_atom.Dihedral_clear_caches(self)
2270 
2271  def set_name(self, *args):
2272  """set_name(Dihedral self, std::string a0)"""
2273  return _IMP_atom.Dihedral_set_name(self, *args)
2274 
2275  def set_check_level(self, *args):
2276  """set_check_level(Dihedral self, IMP::base::CheckLevel a0)"""
2277  return _IMP_atom.Dihedral_set_check_level(self, *args)
2278 
2279  def add_to_derivative(self, *args):
2280  """add_to_derivative(Dihedral self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2281  return _IMP_atom.Dihedral_add_to_derivative(self, *args)
2282 
2283  def set_is_optimized(self, *args):
2284  """set_is_optimized(Dihedral self, FloatKey a0, bool a1)"""
2285  return _IMP_atom.Dihedral_set_is_optimized(self, *args)
2286 
2287  def get_is_optimized(self, *args):
2288  """get_is_optimized(Dihedral self, FloatKey a0) -> bool"""
2289  return _IMP_atom.Dihedral_get_is_optimized(self, *args)
2290 
2291  def get_check_level(self):
2292  """get_check_level(Dihedral self) -> IMP::base::CheckLevel"""
2293  return _IMP_atom.Dihedral_get_check_level(self)
2294 
2295  def __eq__(self, *args):
2296  """
2297  __eq__(Dihedral self, Dihedral o) -> bool
2298  __eq__(Dihedral self, Particle d) -> bool
2299  """
2300  return _IMP_atom.Dihedral___eq__(self, *args)
2301 
2302  def __ne__(self, *args):
2303  """
2304  __ne__(Dihedral self, Dihedral o) -> bool
2305  __ne__(Dihedral self, Particle d) -> bool
2306  """
2307  return _IMP_atom.Dihedral___ne__(self, *args)
2308 
2309  def __le__(self, *args):
2310  """
2311  __le__(Dihedral self, Dihedral o) -> bool
2312  __le__(Dihedral self, Particle d) -> bool
2313  """
2314  return _IMP_atom.Dihedral___le__(self, *args)
2315 
2316  def __lt__(self, *args):
2317  """
2318  __lt__(Dihedral self, Dihedral o) -> bool
2319  __lt__(Dihedral self, Particle d) -> bool
2320  """
2321  return _IMP_atom.Dihedral___lt__(self, *args)
2322 
2323  def __ge__(self, *args):
2324  """
2325  __ge__(Dihedral self, Dihedral o) -> bool
2326  __ge__(Dihedral self, Particle d) -> bool
2327  """
2328  return _IMP_atom.Dihedral___ge__(self, *args)
2329 
2330  def __gt__(self, *args):
2331  """
2332  __gt__(Dihedral self, Dihedral o) -> bool
2333  __gt__(Dihedral self, Particle d) -> bool
2334  """
2335  return _IMP_atom.Dihedral___gt__(self, *args)
2336 
2337  def __str__(self):
2338  """__str__(Dihedral self) -> std::string"""
2339  return _IMP_atom.Dihedral___str__(self)
2340 
2341  def __repr__(self):
2342  """__repr__(Dihedral self) -> std::string"""
2343  return _IMP_atom.Dihedral___repr__(self)
2344 
2345  __swig_destroy__ = _IMP_atom.delete_Dihedral
2346  __del__ = lambda self : None;
2347 Dihedral_swigregister = _IMP_atom.Dihedral_swigregister
2348 Dihedral_swigregister(Dihedral)
2349 
2350 def Dihedral_setup_particle(*args):
2351  """
2352  setup_particle(Model m, IMP::kernel::ParticleIndex pi, XYZ a, XYZ b, XYZ c, XYZ d) -> Dihedral
2353  Dihedral_setup_particle(_ParticleAdaptor decorator, XYZ a, XYZ b, XYZ c, XYZ d) -> Dihedral
2354  """
2355  return _IMP_atom.Dihedral_setup_particle(*args)
2356 
2357 def Dihedral_get_is_setup(*args):
2358  """
2359  get_is_setup(_ParticleAdaptor p) -> bool
2360  Dihedral_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
2361  """
2362  return _IMP_atom.Dihedral_get_is_setup(*args)
2363 
2364 def Dihedral_get_particle_key(*args):
2365  """Dihedral_get_particle_key(unsigned int i) -> ParticleIndexKey"""
2366  return _IMP_atom.Dihedral_get_particle_key(*args)
2367 
2368 def Dihedral_get_ideal_key():
2369  """Dihedral_get_ideal_key() -> FloatKey"""
2370  return _IMP_atom.Dihedral_get_ideal_key()
2371 
2372 def Dihedral_get_multiplicity_key():
2373  """Dihedral_get_multiplicity_key() -> IntKey"""
2374  return _IMP_atom.Dihedral_get_multiplicity_key()
2375 
2376 def Dihedral_get_stiffness_key():
2377  """Dihedral_get_stiffness_key() -> FloatKey"""
2378  return _IMP_atom.Dihedral_get_stiffness_key()
2379 
2380 class SmoothingFunction(IMP.base.Object):
2381  """Proxy of C++ IMP::atom::SmoothingFunction class"""
2382  __swig_setmethods__ = {}
2383  for _s in [IMP.base.Object]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
2384  __setattr__ = lambda self, name, value: _swig_setattr(self, SmoothingFunction, name, value)
2385  __swig_getmethods__ = {}
2386  for _s in [IMP.base.Object]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
2387  __getattr__ = lambda self, name: _swig_getattr(self, SmoothingFunction, name)
2388  def __init__(self, *args, **kwargs): raise AttributeError("No constructor defined - class is abstract")
2389  def __call__(self, *args):
2390  """
2391  __call__(SmoothingFunction self, double score, double distance) -> double
2392  __call__(SmoothingFunction self, double score, double deriv, double distance) -> IMP::DerivativePair
2393  """
2394  return _IMP_atom.SmoothingFunction___call__(self, *args)
2395 
2396  __swig_destroy__ = _IMP_atom.delete_SmoothingFunction
2397  __del__ = lambda self : None;
2398  def __str__(self):
2399  """__str__(SmoothingFunction self) -> std::string"""
2400  return _IMP_atom.SmoothingFunction___str__(self)
2401 
2402  def __repr__(self):
2403  """__repr__(SmoothingFunction self) -> std::string"""
2404  return _IMP_atom.SmoothingFunction___repr__(self)
2405 
2406  def get_from(o):
2407  return _object_cast_to_SmoothingFunction(o)
2408  get_from = staticmethod(get_from)
2409 
2410 SmoothingFunction_swigregister = _IMP_atom.SmoothingFunction_swigregister
2411 SmoothingFunction_swigregister(SmoothingFunction)
2412 
2413 class ForceSwitch(SmoothingFunction):
2414  """Proxy of C++ IMP::atom::ForceSwitch class"""
2415  __swig_setmethods__ = {}
2416  for _s in [SmoothingFunction]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
2417  __setattr__ = lambda self, name, value: _swig_setattr(self, ForceSwitch, name, value)
2418  __swig_getmethods__ = {}
2419  for _s in [SmoothingFunction]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
2420  __getattr__ = lambda self, name: _swig_getattr(self, ForceSwitch, name)
2421  def __init__(self, *args):
2422  """__init__(IMP::atom::ForceSwitch self, double min_distance, double max_distance) -> ForceSwitch"""
2423  this = _IMP_atom.new_ForceSwitch(*args)
2424  try: self.this.append(this)
2425  except: self.this = this
2426  def __call__(self, *args):
2427  """
2428  __call__(ForceSwitch self, double score, double distance) -> double
2429  __call__(ForceSwitch self, double score, double deriv, double distance) -> IMP::DerivativePair
2430  """
2431  return _IMP_atom.ForceSwitch___call__(self, *args)
2432 
2433  def get_version_info(self):
2434  """get_version_info(ForceSwitch self) -> VersionInfo"""
2435  return _IMP_atom.ForceSwitch_get_version_info(self)
2436 
2437  def __str__(self):
2438  """__str__(ForceSwitch self) -> std::string"""
2439  return _IMP_atom.ForceSwitch___str__(self)
2440 
2441  def __repr__(self):
2442  """__repr__(ForceSwitch self) -> std::string"""
2443  return _IMP_atom.ForceSwitch___repr__(self)
2444 
2445  def get_from(o):
2446  return _object_cast_to_ForceSwitch(o)
2447  get_from = staticmethod(get_from)
2448 
2449 ForceSwitch_swigregister = _IMP_atom.ForceSwitch_swigregister
2450 ForceSwitch_swigregister(ForceSwitch)
2451 
2452 class AngleSingletonScore(IMP.kernel.SingletonScore):
2453  """Proxy of C++ IMP::atom::AngleSingletonScore class"""
2454  __swig_setmethods__ = {}
2455  for _s in [IMP.kernel.SingletonScore]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
2456  __setattr__ = lambda self, name, value: _swig_setattr(self, AngleSingletonScore, name, value)
2457  __swig_getmethods__ = {}
2458  for _s in [IMP.kernel.SingletonScore]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
2459  __getattr__ = lambda self, name: _swig_getattr(self, AngleSingletonScore, name)
2460  def __init__(self, *args):
2461  """__init__(IMP::atom::AngleSingletonScore self, UnaryFunction f) -> AngleSingletonScore"""
2462  this = _IMP_atom.new_AngleSingletonScore(*args)
2463  try: self.this.append(this)
2464  except: self.this = this
2465  def do_get_inputs(self, *args):
2466  """do_get_inputs(AngleSingletonScore self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
2467  return _IMP_atom.AngleSingletonScore_do_get_inputs(self, *args)
2468 
2469  def get_version_info(self):
2470  """get_version_info(AngleSingletonScore self) -> VersionInfo"""
2471  return _IMP_atom.AngleSingletonScore_get_version_info(self)
2472 
2473  def __str__(self):
2474  """__str__(AngleSingletonScore self) -> std::string"""
2475  return _IMP_atom.AngleSingletonScore___str__(self)
2476 
2477  def __repr__(self):
2478  """__repr__(AngleSingletonScore self) -> std::string"""
2479  return _IMP_atom.AngleSingletonScore___repr__(self)
2480 
2481  def get_from(o):
2482  return _object_cast_to_AngleSingletonScore(o)
2483  get_from = staticmethod(get_from)
2484 
2485 AngleSingletonScore_swigregister = _IMP_atom.AngleSingletonScore_swigregister
2486 AngleSingletonScore_swigregister(AngleSingletonScore)
2487 
2488 class BondEndpointsRefiner(IMP.kernel.Refiner):
2489  """Proxy of C++ IMP::atom::BondEndpointsRefiner class"""
2490  __swig_setmethods__ = {}
2491  for _s in [IMP.kernel.Refiner]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
2492  __setattr__ = lambda self, name, value: _swig_setattr(self, BondEndpointsRefiner, name, value)
2493  __swig_getmethods__ = {}
2494  for _s in [IMP.kernel.Refiner]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
2495  __getattr__ = lambda self, name: _swig_getattr(self, BondEndpointsRefiner, name)
2496  def __init__(self):
2497  """__init__(IMP::atom::BondEndpointsRefiner self) -> BondEndpointsRefiner"""
2498  this = _IMP_atom.new_BondEndpointsRefiner()
2499  try: self.this.append(this)
2500  except: self.this = this
2501  def do_get_inputs(self, *args):
2502  """do_get_inputs(BondEndpointsRefiner self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
2503  return _IMP_atom.BondEndpointsRefiner_do_get_inputs(self, *args)
2504 
2505  def get_version_info(self):
2506  """get_version_info(BondEndpointsRefiner self) -> VersionInfo"""
2507  return _IMP_atom.BondEndpointsRefiner_get_version_info(self)
2508 
2509  def __str__(self):
2510  """__str__(BondEndpointsRefiner self) -> std::string"""
2511  return _IMP_atom.BondEndpointsRefiner___str__(self)
2512 
2513  def __repr__(self):
2514  """__repr__(BondEndpointsRefiner self) -> std::string"""
2515  return _IMP_atom.BondEndpointsRefiner___repr__(self)
2516 
2517  def get_from(o):
2518  return _object_cast_to_BondEndpointsRefiner(o)
2519  get_from = staticmethod(get_from)
2520 
2521 BondEndpointsRefiner_swigregister = _IMP_atom.BondEndpointsRefiner_swigregister
2522 BondEndpointsRefiner_swigregister(BondEndpointsRefiner)
2523 
2524 class BondPairContainer(IMP.kernel.PairContainer):
2525  """Proxy of C++ IMP::atom::BondPairContainer class"""
2526  __swig_setmethods__ = {}
2527  for _s in [IMP.kernel.PairContainer]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
2528  __setattr__ = lambda self, name, value: _swig_setattr(self, BondPairContainer, name, value)
2529  __swig_getmethods__ = {}
2530  for _s in [IMP.kernel.PairContainer]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
2531  __getattr__ = lambda self, name: _swig_getattr(self, BondPairContainer, name)
2532  def __init__(self, *args):
2533  """__init__(IMP::atom::BondPairContainer self, SingletonContainer sc) -> BondPairContainer"""
2534  this = _IMP_atom.new_BondPairContainer(*args)
2535  try: self.this.append(this)
2536  except: self.this = this
2537  def do_get_inputs(self):
2538  """do_get_inputs(BondPairContainer self) -> IMP::kernel::ModelObjectsTemp"""
2539  return _IMP_atom.BondPairContainer_do_get_inputs(self)
2540 
2541  def do_apply(self, *args):
2542  """do_apply(BondPairContainer self, PairModifier sm)"""
2543  return _IMP_atom.BondPairContainer_do_apply(self, *args)
2544 
2545  def get_version_info(self):
2546  """get_version_info(BondPairContainer self) -> VersionInfo"""
2547  return _IMP_atom.BondPairContainer_get_version_info(self)
2548 
2549  def __str__(self):
2550  """__str__(BondPairContainer self) -> std::string"""
2551  return _IMP_atom.BondPairContainer___str__(self)
2552 
2553  def __repr__(self):
2554  """__repr__(BondPairContainer self) -> std::string"""
2555  return _IMP_atom.BondPairContainer___repr__(self)
2556 
2557  def get_from(o):
2558  return _object_cast_to_BondPairContainer(o)
2559  get_from = staticmethod(get_from)
2560 
2561 BondPairContainer_swigregister = _IMP_atom.BondPairContainer_swigregister
2562 BondPairContainer_swigregister(BondPairContainer)
2563 
2564 class BondSingletonScore(IMP.kernel.SingletonScore):
2565  """Proxy of C++ IMP::atom::BondSingletonScore class"""
2566  __swig_setmethods__ = {}
2567  for _s in [IMP.kernel.SingletonScore]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
2568  __setattr__ = lambda self, name, value: _swig_setattr(self, BondSingletonScore, name, value)
2569  __swig_getmethods__ = {}
2570  for _s in [IMP.kernel.SingletonScore]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
2571  __getattr__ = lambda self, name: _swig_getattr(self, BondSingletonScore, name)
2572  def __init__(self, *args):
2573  """__init__(IMP::atom::BondSingletonScore self, UnaryFunction f) -> BondSingletonScore"""
2574  this = _IMP_atom.new_BondSingletonScore(*args)
2575  try: self.this.append(this)
2576  except: self.this = this
2577  def get_unary_function(self):
2578  """get_unary_function(BondSingletonScore self) -> UnaryFunction"""
2579  return _IMP_atom.BondSingletonScore_get_unary_function(self)
2580 
2581  def do_get_inputs(self, *args):
2582  """do_get_inputs(BondSingletonScore self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
2583  return _IMP_atom.BondSingletonScore_do_get_inputs(self, *args)
2584 
2585  def get_version_info(self):
2586  """get_version_info(BondSingletonScore self) -> VersionInfo"""
2587  return _IMP_atom.BondSingletonScore_get_version_info(self)
2588 
2589  def __str__(self):
2590  """__str__(BondSingletonScore self) -> std::string"""
2591  return _IMP_atom.BondSingletonScore___str__(self)
2592 
2593  def __repr__(self):
2594  """__repr__(BondSingletonScore self) -> std::string"""
2595  return _IMP_atom.BondSingletonScore___repr__(self)
2596 
2597  def get_from(o):
2598  return _object_cast_to_BondSingletonScore(o)
2599  get_from = staticmethod(get_from)
2600 
2601 BondSingletonScore_swigregister = _IMP_atom.BondSingletonScore_swigregister
2602 BondSingletonScore_swigregister(BondSingletonScore)
2603 
2604 class DihedralSingletonScore(IMP.kernel.SingletonScore):
2605  """Proxy of C++ IMP::atom::DihedralSingletonScore class"""
2606  __swig_setmethods__ = {}
2607  for _s in [IMP.kernel.SingletonScore]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
2608  __setattr__ = lambda self, name, value: _swig_setattr(self, DihedralSingletonScore, name, value)
2609  __swig_getmethods__ = {}
2610  for _s in [IMP.kernel.SingletonScore]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
2611  __getattr__ = lambda self, name: _swig_getattr(self, DihedralSingletonScore, name)
2612  def __init__(self):
2613  """__init__(IMP::atom::DihedralSingletonScore self) -> DihedralSingletonScore"""
2614  this = _IMP_atom.new_DihedralSingletonScore()
2615  try: self.this.append(this)
2616  except: self.this = this
2617  def do_get_inputs(self, *args):
2618  """do_get_inputs(DihedralSingletonScore self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
2619  return _IMP_atom.DihedralSingletonScore_do_get_inputs(self, *args)
2620 
2621  def get_version_info(self):
2622  """get_version_info(DihedralSingletonScore self) -> VersionInfo"""
2623  return _IMP_atom.DihedralSingletonScore_get_version_info(self)
2624 
2625  def __str__(self):
2626  """__str__(DihedralSingletonScore self) -> std::string"""
2627  return _IMP_atom.DihedralSingletonScore___str__(self)
2628 
2629  def __repr__(self):
2630  """__repr__(DihedralSingletonScore self) -> std::string"""
2631  return _IMP_atom.DihedralSingletonScore___repr__(self)
2632 
2633  def get_from(o):
2634  return _object_cast_to_DihedralSingletonScore(o)
2635  get_from = staticmethod(get_from)
2636 
2637 DihedralSingletonScore_swigregister = _IMP_atom.DihedralSingletonScore_swigregister
2638 DihedralSingletonScore_swigregister(DihedralSingletonScore)
2639 
2640 class ImproperSingletonScore(IMP.kernel.SingletonScore):
2641  """Proxy of C++ IMP::atom::ImproperSingletonScore class"""
2642  __swig_setmethods__ = {}
2643  for _s in [IMP.kernel.SingletonScore]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
2644  __setattr__ = lambda self, name, value: _swig_setattr(self, ImproperSingletonScore, name, value)
2645  __swig_getmethods__ = {}
2646  for _s in [IMP.kernel.SingletonScore]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
2647  __getattr__ = lambda self, name: _swig_getattr(self, ImproperSingletonScore, name)
2648  def __init__(self, *args):
2649  """__init__(IMP::atom::ImproperSingletonScore self, UnaryFunction f) -> ImproperSingletonScore"""
2650  this = _IMP_atom.new_ImproperSingletonScore(*args)
2651  try: self.this.append(this)
2652  except: self.this = this
2653  def do_get_inputs(self, *args):
2654  """do_get_inputs(ImproperSingletonScore self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
2655  return _IMP_atom.ImproperSingletonScore_do_get_inputs(self, *args)
2656 
2657  def get_version_info(self):
2658  """get_version_info(ImproperSingletonScore self) -> VersionInfo"""
2659  return _IMP_atom.ImproperSingletonScore_get_version_info(self)
2660 
2661  def __str__(self):
2662  """__str__(ImproperSingletonScore self) -> std::string"""
2663  return _IMP_atom.ImproperSingletonScore___str__(self)
2664 
2665  def __repr__(self):
2666  """__repr__(ImproperSingletonScore self) -> std::string"""
2667  return _IMP_atom.ImproperSingletonScore___repr__(self)
2668 
2669  def get_from(o):
2670  return _object_cast_to_ImproperSingletonScore(o)
2671  get_from = staticmethod(get_from)
2672 
2673 ImproperSingletonScore_swigregister = _IMP_atom.ImproperSingletonScore_swigregister
2674 ImproperSingletonScore_swigregister(ImproperSingletonScore)
2675 
2676 class CenterOfMass(IMP.kernel.Decorator):
2677  """Proxy of C++ IMP::atom::CenterOfMass class"""
2678  __swig_setmethods__ = {}
2679  for _s in [IMP.kernel.Decorator]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
2680  __setattr__ = lambda self, name, value: _swig_setattr(self, CenterOfMass, name, value)
2681  __swig_getmethods__ = {}
2682  for _s in [IMP.kernel.Decorator]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
2683  __getattr__ = lambda self, name: _swig_getattr(self, CenterOfMass, name)
2684  def get_constraint(self):
2685  """get_constraint(CenterOfMass self) -> Constraint"""
2686  return _IMP_atom.CenterOfMass_get_constraint(self)
2687 
2688  def get_mass(self):
2689  """get_mass(CenterOfMass self) -> IMP::Float"""
2690  return _IMP_atom.CenterOfMass_get_mass(self)
2691 
2692  def get_coordinate(self, *args):
2693  """get_coordinate(CenterOfMass self, int i) -> IMP::Float"""
2694  return _IMP_atom.CenterOfMass_get_coordinate(self, *args)
2695 
2696  def get_coordinates(self):
2697  """get_coordinates(CenterOfMass self) -> Vector3D"""
2698  return _IMP_atom.CenterOfMass_get_coordinates(self)
2699 
2700  def __init__(self, *args):
2701  """
2702  __init__(IMP::atom::CenterOfMass self) -> CenterOfMass
2703  __init__(IMP::atom::CenterOfMass self, Model m, ::IMP::kernel::ParticleIndex id) -> CenterOfMass
2704  __init__(IMP::atom::CenterOfMass self, _ParticleAdaptor d) -> CenterOfMass
2705  """
2706  this = _IMP_atom.new_CenterOfMass(*args)
2707  try: self.this.append(this)
2708  except: self.this = this
2709  def show(self, *args):
2710  """
2711  show(CenterOfMass self, _ostream out=std::cout)
2712  show(CenterOfMass self)
2713  """
2714  return _IMP_atom.CenterOfMass_show(self, *args)
2715 
2716  def setup_particle(*args):
2717  """
2718  setup_particle(Model m, IMP::kernel::ParticleIndex pi, _ParticleIndexesAdaptor members) -> CenterOfMass
2719  setup_particle(_ParticleAdaptor decorator, _ParticleIndexesAdaptor members) -> CenterOfMass
2720  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Refiner refiner) -> CenterOfMass
2721  setup_particle(_ParticleAdaptor decorator, Refiner refiner) -> CenterOfMass
2722  """
2723  return _IMP_atom.CenterOfMass_setup_particle(*args)
2724 
2725  if _newclass:setup_particle = staticmethod(setup_particle)
2726  __swig_getmethods__["setup_particle"] = lambda x: setup_particle
2727  def get_is_setup(*args):
2728  """
2729  get_is_setup(_ParticleAdaptor p) -> bool
2730  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
2731  """
2732  return _IMP_atom.CenterOfMass_get_is_setup(*args)
2733 
2734  if _newclass:get_is_setup = staticmethod(get_is_setup)
2735  __swig_getmethods__["get_is_setup"] = lambda x: get_is_setup
2736  def add_attribute(self, *args):
2737  """
2738  add_attribute(CenterOfMass self, FloatKey k, IMP::Float v, bool opt)
2739  add_attribute(CenterOfMass self, FloatKey a0, IMP::Float a1)
2740  add_attribute(CenterOfMass self, IntKey a0, IMP::Int a1)
2741  add_attribute(CenterOfMass self, StringKey a0, IMP::String a1)
2742  add_attribute(CenterOfMass self, ParticleIndexKey a0, Particle a1)
2743  add_attribute(CenterOfMass self, ObjectKey a0, Object a1)
2744  """
2745  return _IMP_atom.CenterOfMass_add_attribute(self, *args)
2746 
2747  def get_value(self, *args):
2748  """
2749  get_value(CenterOfMass self, FloatKey a0) -> IMP::Float
2750  get_value(CenterOfMass self, IntKey a0) -> IMP::Int
2751  get_value(CenterOfMass self, StringKey a0) -> IMP::String
2752  get_value(CenterOfMass self, ParticleIndexKey a0) -> Particle
2753  get_value(CenterOfMass self, ObjectKey a0) -> Object
2754  """
2755  return _IMP_atom.CenterOfMass_get_value(self, *args)
2756 
2757  def set_value(self, *args):
2758  """
2759  set_value(CenterOfMass self, FloatKey a0, IMP::Float a1)
2760  set_value(CenterOfMass self, IntKey a0, IMP::Int a1)
2761  set_value(CenterOfMass self, StringKey a0, IMP::String a1)
2762  set_value(CenterOfMass self, ParticleIndexKey a0, Particle a1)
2763  set_value(CenterOfMass self, ObjectKey a0, Object a1)
2764  """
2765  return _IMP_atom.CenterOfMass_set_value(self, *args)
2766 
2767  def remove_attribute(self, *args):
2768  """
2769  remove_attribute(CenterOfMass self, FloatKey a0)
2770  remove_attribute(CenterOfMass self, IntKey a0)
2771  remove_attribute(CenterOfMass self, StringKey a0)
2772  remove_attribute(CenterOfMass self, ParticleIndexKey a0)
2773  remove_attribute(CenterOfMass self, ObjectKey a0)
2774  """
2775  return _IMP_atom.CenterOfMass_remove_attribute(self, *args)
2776 
2777  def has_attribute(self, *args):
2778  """
2779  has_attribute(CenterOfMass self, FloatKey a0) -> bool
2780  has_attribute(CenterOfMass self, IntKey a0) -> bool
2781  has_attribute(CenterOfMass self, StringKey a0) -> bool
2782  has_attribute(CenterOfMass self, ParticleIndexKey a0) -> bool
2783  has_attribute(CenterOfMass self, ObjectKey a0) -> bool
2784  """
2785  return _IMP_atom.CenterOfMass_has_attribute(self, *args)
2786 
2787  def get_derivative(self, *args):
2788  """get_derivative(CenterOfMass self, FloatKey a0) -> double"""
2789  return _IMP_atom.CenterOfMass_get_derivative(self, *args)
2790 
2791  def get_name(self):
2792  """get_name(CenterOfMass self) -> std::string"""
2793  return _IMP_atom.CenterOfMass_get_name(self)
2794 
2795  def clear_caches(self):
2796  """clear_caches(CenterOfMass self)"""
2797  return _IMP_atom.CenterOfMass_clear_caches(self)
2798 
2799  def set_name(self, *args):
2800  """set_name(CenterOfMass self, std::string a0)"""
2801  return _IMP_atom.CenterOfMass_set_name(self, *args)
2802 
2803  def set_check_level(self, *args):
2804  """set_check_level(CenterOfMass self, IMP::base::CheckLevel a0)"""
2805  return _IMP_atom.CenterOfMass_set_check_level(self, *args)
2806 
2807  def add_to_derivative(self, *args):
2808  """add_to_derivative(CenterOfMass self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2809  return _IMP_atom.CenterOfMass_add_to_derivative(self, *args)
2810 
2811  def set_is_optimized(self, *args):
2812  """set_is_optimized(CenterOfMass self, FloatKey a0, bool a1)"""
2813  return _IMP_atom.CenterOfMass_set_is_optimized(self, *args)
2814 
2815  def get_is_optimized(self, *args):
2816  """get_is_optimized(CenterOfMass self, FloatKey a0) -> bool"""
2817  return _IMP_atom.CenterOfMass_get_is_optimized(self, *args)
2818 
2819  def get_check_level(self):
2820  """get_check_level(CenterOfMass self) -> IMP::base::CheckLevel"""
2821  return _IMP_atom.CenterOfMass_get_check_level(self)
2822 
2823  def __eq__(self, *args):
2824  """
2825  __eq__(CenterOfMass self, CenterOfMass o) -> bool
2826  __eq__(CenterOfMass self, Particle d) -> bool
2827  """
2828  return _IMP_atom.CenterOfMass___eq__(self, *args)
2829 
2830  def __ne__(self, *args):
2831  """
2832  __ne__(CenterOfMass self, CenterOfMass o) -> bool
2833  __ne__(CenterOfMass self, Particle d) -> bool
2834  """
2835  return _IMP_atom.CenterOfMass___ne__(self, *args)
2836 
2837  def __le__(self, *args):
2838  """
2839  __le__(CenterOfMass self, CenterOfMass o) -> bool
2840  __le__(CenterOfMass self, Particle d) -> bool
2841  """
2842  return _IMP_atom.CenterOfMass___le__(self, *args)
2843 
2844  def __lt__(self, *args):
2845  """
2846  __lt__(CenterOfMass self, CenterOfMass o) -> bool
2847  __lt__(CenterOfMass self, Particle d) -> bool
2848  """
2849  return _IMP_atom.CenterOfMass___lt__(self, *args)
2850 
2851  def __ge__(self, *args):
2852  """
2853  __ge__(CenterOfMass self, CenterOfMass o) -> bool
2854  __ge__(CenterOfMass self, Particle d) -> bool
2855  """
2856  return _IMP_atom.CenterOfMass___ge__(self, *args)
2857 
2858  def __gt__(self, *args):
2859  """
2860  __gt__(CenterOfMass self, CenterOfMass o) -> bool
2861  __gt__(CenterOfMass self, Particle d) -> bool
2862  """
2863  return _IMP_atom.CenterOfMass___gt__(self, *args)
2864 
2865  def __str__(self):
2866  """__str__(CenterOfMass self) -> std::string"""
2867  return _IMP_atom.CenterOfMass___str__(self)
2868 
2869  def __repr__(self):
2870  """__repr__(CenterOfMass self) -> std::string"""
2871  return _IMP_atom.CenterOfMass___repr__(self)
2872 
2873  __swig_destroy__ = _IMP_atom.delete_CenterOfMass
2874  __del__ = lambda self : None;
2875 CenterOfMass_swigregister = _IMP_atom.CenterOfMass_swigregister
2876 CenterOfMass_swigregister(CenterOfMass)
2877 
2878 def CenterOfMass_setup_particle(*args):
2879  """
2880  setup_particle(Model m, IMP::kernel::ParticleIndex pi, _ParticleIndexesAdaptor members) -> CenterOfMass
2881  setup_particle(_ParticleAdaptor decorator, _ParticleIndexesAdaptor members) -> CenterOfMass
2882  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Refiner refiner) -> CenterOfMass
2883  CenterOfMass_setup_particle(_ParticleAdaptor decorator, Refiner refiner) -> CenterOfMass
2884  """
2885  return _IMP_atom.CenterOfMass_setup_particle(*args)
2886 
2887 def CenterOfMass_get_is_setup(*args):
2888  """
2889  get_is_setup(_ParticleAdaptor p) -> bool
2890  CenterOfMass_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
2891  """
2892  return _IMP_atom.CenterOfMass_get_is_setup(*args)
2893 
2894 class CoverBond(IMP.kernel.SingletonModifier):
2895  """Proxy of C++ IMP::atom::CoverBond class"""
2896  __swig_setmethods__ = {}
2897  for _s in [IMP.kernel.SingletonModifier]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
2898  __setattr__ = lambda self, name, value: _swig_setattr(self, CoverBond, name, value)
2899  __swig_getmethods__ = {}
2900  for _s in [IMP.kernel.SingletonModifier]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
2901  __getattr__ = lambda self, name: _swig_getattr(self, CoverBond, name)
2902  def __init__(self):
2903  """__init__(IMP::atom::CoverBond self) -> CoverBond"""
2904  this = _IMP_atom.new_CoverBond()
2905  try: self.this.append(this)
2906  except: self.this = this
2907  def do_get_inputs(self, *args):
2908  """do_get_inputs(CoverBond self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
2909  return _IMP_atom.CoverBond_do_get_inputs(self, *args)
2910 
2911  def do_get_outputs(self, *args):
2912  """do_get_outputs(CoverBond self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
2913  return _IMP_atom.CoverBond_do_get_outputs(self, *args)
2914 
2915  def get_version_info(self):
2916  """get_version_info(CoverBond self) -> VersionInfo"""
2917  return _IMP_atom.CoverBond_get_version_info(self)
2918 
2919  def __str__(self):
2920  """__str__(CoverBond self) -> std::string"""
2921  return _IMP_atom.CoverBond___str__(self)
2922 
2923  def __repr__(self):
2924  """__repr__(CoverBond self) -> std::string"""
2925  return _IMP_atom.CoverBond___repr__(self)
2926 
2927  def get_from(o):
2928  return _object_cast_to_CoverBond(o)
2929  get_from = staticmethod(get_from)
2930 
2931 CoverBond_swigregister = _IMP_atom.CoverBond_swigregister
2932 CoverBond_swigregister(CoverBond)
2933 
2934 class Simulator(IMP.kernel.Optimizer):
2935  """Proxy of C++ IMP::atom::Simulator class"""
2936  __swig_setmethods__ = {}
2937  for _s in [IMP.kernel.Optimizer]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
2938  __setattr__ = lambda self, name, value: _swig_setattr(self, Simulator, name, value)
2939  __swig_getmethods__ = {}
2940  for _s in [IMP.kernel.Optimizer]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
2941  __getattr__ = lambda self, name: _swig_getattr(self, Simulator, name)
2942  def __init__(self, *args):
2943  """
2944  __init__(IMP::atom::Simulator self, Model m, std::string name="Simulator %1%", double wave_factor=1.0) -> Simulator
2945  __init__(IMP::atom::Simulator self, Model m, std::string name="Simulator %1%") -> Simulator
2946  __init__(IMP::atom::Simulator self, Model m) -> Simulator
2947  """
2948  if self.__class__ == Simulator:
2949  _self = None
2950  else:
2951  _self = self
2952  this = _IMP_atom.new_Simulator(_self, *args)
2953  try: self.this.append(this)
2954  except: self.this = this
2955  if self.__class__ != Simulator:
2956  import IMP.base
2957  IMP.base._director_objects.register(self)
2958 
2959 
2960 
2961  def simulate(self, *args):
2962  """simulate(Simulator self, double time_in_fs) -> double"""
2963  return _IMP_atom.Simulator_simulate(self, *args)
2964 
2965  def simulate_wave(self, *args):
2966  """
2967  simulate_wave(Simulator self, double time_in_fs, double max_time_step_factor=10.0, double base=1.5) -> double
2968  simulate_wave(Simulator self, double time_in_fs, double max_time_step_factor=10.0) -> double
2969  simulate_wave(Simulator self, double time_in_fs) -> double
2970  """
2971  return _IMP_atom.Simulator_simulate_wave(self, *args)
2972 
2973  def get_temperature(self):
2974  """get_temperature(Simulator self) -> double"""
2975  return _IMP_atom.Simulator_get_temperature(self)
2976 
2977  def set_temperature(self, *args):
2978  """set_temperature(Simulator self, double d)"""
2979  return _IMP_atom.Simulator_set_temperature(self, *args)
2980 
2981  def set_maximum_time_step(self, *args):
2982  """set_maximum_time_step(Simulator self, double ts)"""
2983  return _IMP_atom.Simulator_set_maximum_time_step(self, *args)
2984 
2985  def get_maximum_time_step(self):
2986  """get_maximum_time_step(Simulator self) -> double"""
2987  return _IMP_atom.Simulator_get_maximum_time_step(self)
2988 
2989  def get_last_time_step(self):
2990  """get_last_time_step(Simulator self) -> double"""
2991  return _IMP_atom.Simulator_get_last_time_step(self)
2992 
2993  def set_time_step(self, *args):
2994  """set_time_step(Simulator self, double ts)"""
2995  return _IMP_atom.Simulator_set_time_step(self, *args)
2996 
2997  def get_kt(self):
2998  """get_kt(Simulator self) -> double"""
2999  return _IMP_atom.Simulator_get_kt(self)
3000 
3001  def get_current_time(self):
3002  """get_current_time(Simulator self) -> double"""
3003  return _IMP_atom.Simulator_get_current_time(self)
3004 
3005  def set_current_time(self, *args):
3006  """set_current_time(Simulator self, double ct)"""
3007  return _IMP_atom.Simulator_set_current_time(self, *args)
3008 
3009  def get_simulation_particles(self):
3010  """get_simulation_particles(Simulator self) -> IMP::kernel::ParticlesTemp"""
3011  return _IMP_atom.Simulator_get_simulation_particles(self)
3012 
3013  def get_simulation_particle_indexes(self):
3014  """get_simulation_particle_indexes(Simulator self) -> IMP::kernel::ParticleIndexes"""
3015  return _IMP_atom.Simulator_get_simulation_particle_indexes(self)
3016 
3017  def remove_particle(self, *args):
3018  """remove_particle(Simulator self, Particle d)"""
3019  return _IMP_atom.Simulator_remove_particle(self, *args)
3020 
3021  def remove_particles(self, *args):
3022  """remove_particles(Simulator self, IMP::kernel::Particles const & d)"""
3023  return _IMP_atom.Simulator_remove_particles(self, *args)
3024 
3025  def set_particles(self, *args):
3026  """set_particles(Simulator self, IMP::kernel::Particles const & ps)"""
3027  return _IMP_atom.Simulator_set_particles(self, *args)
3028 
3029  def set_particles_order(self, *args):
3030  """set_particles_order(Simulator self, IMP::kernel::Particles const & objs)"""
3031  return _IMP_atom.Simulator_set_particles_order(self, *args)
3032 
3033  def add_particle(self, *args):
3034  """add_particle(Simulator self, Particle obj) -> unsigned int"""
3035  return _IMP_atom.Simulator_add_particle(self, *args)
3036 
3037  def add_particles(self, *args):
3038  """add_particles(Simulator self, IMP::kernel::Particles const & objs)"""
3039  return _IMP_atom.Simulator_add_particles(self, *args)
3040 
3041  def clear_particles(self):
3042  """clear_particles(Simulator self)"""
3043  return _IMP_atom.Simulator_clear_particles(self)
3044 
3045  def get_number_of_particles(self):
3046  """get_number_of_particles(Simulator self) -> unsigned int"""
3047  return _IMP_atom.Simulator_get_number_of_particles(self)
3048 
3049  def get_has_particles(self):
3050  """get_has_particles(Simulator self) -> bool"""
3051  return _IMP_atom.Simulator_get_has_particles(self)
3052 
3053  def get_particle(self, *args):
3054  """get_particle(Simulator self, unsigned int i) -> Particle"""
3055  return _IMP_atom.Simulator_get_particle(self, *args)
3056 
3057  def get_particles(self):
3058  """get_particles(Simulator self) -> IMP::kernel::Particles"""
3059  return _IMP_atom.Simulator_get_particles(self)
3060 
3061  def reserve_particles(self, *args):
3062  """reserve_particles(Simulator self, unsigned int sz)"""
3063  return _IMP_atom.Simulator_reserve_particles(self, *args)
3064 
3065  def do_optimize(self, *args):
3066  """do_optimize(Simulator self, unsigned int max_steps) -> IMP::Float"""
3067  return _IMP_atom.Simulator_do_optimize(self, *args)
3068 
3069  def setup(self, *args):
3070  """setup(Simulator self, IMP::kernel::ParticleIndexes const & arg0)"""
3071  return _IMP_atom.Simulator_setup(self, *args)
3072 
3073  def do_step(self, *args):
3074  """do_step(Simulator self, IMP::kernel::ParticleIndexes const & sc, double dt) -> double"""
3075  return _IMP_atom.Simulator_do_step(self, *args)
3076 
3077  def get_is_simulation_particle(self, *args):
3078  """get_is_simulation_particle(Simulator self, IMP::kernel::ParticleIndex p) -> bool"""
3079  return _IMP_atom.Simulator_get_is_simulation_particle(self, *args)
3080 
3081  def __str__(self):
3082  """__str__(Simulator self) -> std::string"""
3083  return _IMP_atom.Simulator___str__(self)
3084 
3085  def __repr__(self):
3086  """__repr__(Simulator self) -> std::string"""
3087  return _IMP_atom.Simulator___repr__(self)
3088 
3089  def get_from(o):
3090  return _object_cast_to_Simulator(o)
3091  get_from = staticmethod(get_from)
3092 
3093  def get_type_name(self):
3094  return self.__class__.__name__
3095  def do_show(self, out):
3096  pass
3097  def get_version_info(self):
3098  if"IMP::atom" == "IMP":
3099  return VersionInfo("python", "0")
3100  else:
3101  return IMP.VersionInfo("python", "0")
3102  def get_from(o):
3103  return _object_cast_to_Simulator(o)
3104  get_from = staticmethod(get_from)
3105 
3106  __swig_destroy__ = _IMP_atom.delete_Simulator
3107  __del__ = lambda self : None;
3108  def __disown__(self):
3109  self.this.disown()
3110  _IMP_atom.disown_Simulator(self)
3111  return weakref_proxy(self)
3112  def do_destroy(self):
3113  """do_destroy(Simulator self)"""
3114  return _IMP_atom.Simulator_do_destroy(self)
3115 
3116  def handle_set_has_required_score_states(self, *args):
3117  """handle_set_has_required_score_states(Simulator self, bool arg0)"""
3118  return _IMP_atom.Simulator_handle_set_has_required_score_states(self, *args)
3119 
3120  def do_get_inputs(self):
3121  """do_get_inputs(Simulator self) -> IMP::kernel::ModelObjectsTemp"""
3122  return _IMP_atom.Simulator_do_get_inputs(self)
3123 
3124  def do_get_outputs(self):
3125  """do_get_outputs(Simulator self) -> IMP::kernel::ModelObjectsTemp"""
3126  return _IMP_atom.Simulator_do_get_outputs(self)
3127 
3128  def do_get_interactions(self):
3129  """do_get_interactions(Simulator self) -> IMP::kernel::ModelObjectsTemps"""
3130  return _IMP_atom.Simulator_do_get_interactions(self)
3131 
3132 Simulator_swigregister = _IMP_atom.Simulator_swigregister
3133 Simulator_swigregister(Simulator)
3134 
3135 
3136 def get_energy_in_femto_joules(*args):
3137  """get_energy_in_femto_joules(double energy_in_kcal_per_mol) -> double"""
3138  return _IMP_atom.get_energy_in_femto_joules(*args)
3139 
3140 def get_force_in_femto_newtons(*args):
3141  """get_force_in_femto_newtons(double force_in_kcal_per_mol_per_angstrom) -> double"""
3142  return _IMP_atom.get_force_in_femto_newtons(*args)
3143 
3144 def get_spring_constant_in_femto_newtons_per_angstrom(*args):
3145  """get_spring_constant_in_femto_newtons_per_angstrom(double k_in_kcal_per_mol_per_angstrom_square) -> double"""
3146  return _IMP_atom.get_spring_constant_in_femto_newtons_per_angstrom(*args)
3147 class BrownianDynamics(Simulator):
3148  """Proxy of C++ IMP::atom::BrownianDynamics class"""
3149  __swig_setmethods__ = {}
3150  for _s in [Simulator]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
3151  __setattr__ = lambda self, name, value: _swig_setattr(self, BrownianDynamics, name, value)
3152  __swig_getmethods__ = {}
3153  for _s in [Simulator]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
3154  __getattr__ = lambda self, name: _swig_getattr(self, BrownianDynamics, name)
3155  def __init__(self, *args):
3156  """
3157  __init__(IMP::atom::BrownianDynamics self, Model m, std::string name="BrownianDynamics%1%", double wave_factor=1.0) -> BrownianDynamics
3158  __init__(IMP::atom::BrownianDynamics self, Model m, std::string name="BrownianDynamics%1%") -> BrownianDynamics
3159  __init__(IMP::atom::BrownianDynamics self, Model m) -> BrownianDynamics
3160  """
3161  this = _IMP_atom.new_BrownianDynamics(*args)
3162  try: self.this.append(this)
3163  except: self.this = this
3164  def set_maximum_move(self, *args):
3165  """set_maximum_move(BrownianDynamics self, double ms)"""
3166  return _IMP_atom.BrownianDynamics_set_maximum_move(self, *args)
3167 
3168  def set_use_stochastic_runge_kutta(self, *args):
3169  """set_use_stochastic_runge_kutta(BrownianDynamics self, bool tf)"""
3170  return _IMP_atom.BrownianDynamics_set_use_stochastic_runge_kutta(self, *args)
3171 
3172  def get_version_info(self):
3173  """get_version_info(BrownianDynamics self) -> VersionInfo"""
3174  return _IMP_atom.BrownianDynamics_get_version_info(self)
3175 
3176  def __str__(self):
3177  """__str__(BrownianDynamics self) -> std::string"""
3178  return _IMP_atom.BrownianDynamics___str__(self)
3179 
3180  def __repr__(self):
3181  """__repr__(BrownianDynamics self) -> std::string"""
3182  return _IMP_atom.BrownianDynamics___repr__(self)
3183 
3184  def get_from(o):
3185  return _object_cast_to_BrownianDynamics(o)
3186  get_from = staticmethod(get_from)
3187 
3188 BrownianDynamics_swigregister = _IMP_atom.BrownianDynamics_swigregister
3189 BrownianDynamics_swigregister(BrownianDynamics)
3190 
3191 
3193  """get_maximum_time_step_estimate(BrownianDynamics bd) -> double"""
3194  return _IMP_atom.get_maximum_time_step_estimate(*args)
3195 
3196 def get_harmonic_sigma(*args):
3197  """get_harmonic_sigma(double D, double f) -> double"""
3198  return _IMP_atom.get_harmonic_sigma(*args)
3199 class Diffusion(IMP.core.XYZ):
3200  """Proxy of C++ IMP::atom::Diffusion class"""
3201  __swig_setmethods__ = {}
3202  for _s in [IMP.core.XYZ]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
3203  __setattr__ = lambda self, name, value: _swig_setattr(self, Diffusion, name, value)
3204  __swig_getmethods__ = {}
3205  for _s in [IMP.core.XYZ]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
3206  __getattr__ = lambda self, name: _swig_getattr(self, Diffusion, name)
3207  def __init__(self, *args):
3208  """
3209  __init__(IMP::atom::Diffusion self) -> Diffusion
3210  __init__(IMP::atom::Diffusion self, Model m, ::IMP::kernel::ParticleIndex id) -> Diffusion
3211  __init__(IMP::atom::Diffusion self, _ParticleAdaptor d) -> Diffusion
3212  """
3213  this = _IMP_atom.new_Diffusion(*args)
3214  try: self.this.append(this)
3215  except: self.this = this
3216  def show(self, *args):
3217  """
3218  show(Diffusion self, _ostream out=std::cout)
3219  show(Diffusion self)
3220  """
3221  return _IMP_atom.Diffusion_show(self, *args)
3222 
3223  def setup_particle(*args):
3224  """
3225  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Float D) -> Diffusion
3226  setup_particle(_ParticleAdaptor decorator, IMP::Float D) -> Diffusion
3227  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Vector3D v, IMP::Float D) -> Diffusion
3228  setup_particle(_ParticleAdaptor decorator, Vector3D v, IMP::Float D) -> Diffusion
3229  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> Diffusion
3230  setup_particle(_ParticleAdaptor decorator) -> Diffusion
3231  """
3232  return _IMP_atom.Diffusion_setup_particle(*args)
3233 
3234  if _newclass:setup_particle = staticmethod(setup_particle)
3235  __swig_getmethods__["setup_particle"] = lambda x: setup_particle
3236  def get_is_setup(*args):
3237  """
3238  get_is_setup(_ParticleAdaptor p) -> bool
3239  get_is_setup(Model m, IMP::kernel::ParticleIndex p) -> bool
3240  """
3241  return _IMP_atom.Diffusion_get_is_setup(*args)
3242 
3243  if _newclass:get_is_setup = staticmethod(get_is_setup)
3244  __swig_getmethods__["get_is_setup"] = lambda x: get_is_setup
3245  def set_diffusion_coefficient(self, *args):
3246  """set_diffusion_coefficient(Diffusion self, double d)"""
3247  return _IMP_atom.Diffusion_set_diffusion_coefficient(self, *args)
3248 
3249  def get_diffusion_coefficient(self):
3250  """get_diffusion_coefficient(Diffusion self) -> double"""
3251  return _IMP_atom.Diffusion_get_diffusion_coefficient(self)
3252 
3253  def get_diffusion_coefficient_key():
3254  """get_diffusion_coefficient_key() -> FloatKey"""
3255  return _IMP_atom.Diffusion_get_diffusion_coefficient_key()
3256 
3257  if _newclass:get_diffusion_coefficient_key = staticmethod(get_diffusion_coefficient_key)
3258  __swig_getmethods__["get_diffusion_coefficient_key"] = lambda x: get_diffusion_coefficient_key
3259  def add_attribute(self, *args):
3260  """
3261  add_attribute(Diffusion self, FloatKey k, IMP::Float v, bool opt)
3262  add_attribute(Diffusion self, FloatKey a0, IMP::Float a1)
3263  add_attribute(Diffusion self, IntKey a0, IMP::Int a1)
3264  add_attribute(Diffusion self, StringKey a0, IMP::String a1)
3265  add_attribute(Diffusion self, ParticleIndexKey a0, Particle a1)
3266  add_attribute(Diffusion self, ObjectKey a0, Object a1)
3267  """
3268  return _IMP_atom.Diffusion_add_attribute(self, *args)
3269 
3270  def get_value(self, *args):
3271  """
3272  get_value(Diffusion self, FloatKey a0) -> IMP::Float
3273  get_value(Diffusion self, IntKey a0) -> IMP::Int
3274  get_value(Diffusion self, StringKey a0) -> IMP::String
3275  get_value(Diffusion self, ParticleIndexKey a0) -> Particle
3276  get_value(Diffusion self, ObjectKey a0) -> Object
3277  """
3278  return _IMP_atom.Diffusion_get_value(self, *args)
3279 
3280  def set_value(self, *args):
3281  """
3282  set_value(Diffusion self, FloatKey a0, IMP::Float a1)
3283  set_value(Diffusion self, IntKey a0, IMP::Int a1)
3284  set_value(Diffusion self, StringKey a0, IMP::String a1)
3285  set_value(Diffusion self, ParticleIndexKey a0, Particle a1)
3286  set_value(Diffusion self, ObjectKey a0, Object a1)
3287  """
3288  return _IMP_atom.Diffusion_set_value(self, *args)
3289 
3290  def remove_attribute(self, *args):
3291  """
3292  remove_attribute(Diffusion self, FloatKey a0)
3293  remove_attribute(Diffusion self, IntKey a0)
3294  remove_attribute(Diffusion self, StringKey a0)
3295  remove_attribute(Diffusion self, ParticleIndexKey a0)
3296  remove_attribute(Diffusion self, ObjectKey a0)
3297  """
3298  return _IMP_atom.Diffusion_remove_attribute(self, *args)
3299 
3300  def has_attribute(self, *args):
3301  """
3302  has_attribute(Diffusion self, FloatKey a0) -> bool
3303  has_attribute(Diffusion self, IntKey a0) -> bool
3304  has_attribute(Diffusion self, StringKey a0) -> bool
3305  has_attribute(Diffusion self, ParticleIndexKey a0) -> bool
3306  has_attribute(Diffusion self, ObjectKey a0) -> bool
3307  """
3308  return _IMP_atom.Diffusion_has_attribute(self, *args)
3309 
3310  def get_derivative(self, *args):
3311  """get_derivative(Diffusion self, FloatKey a0) -> double"""
3312  return _IMP_atom.Diffusion_get_derivative(self, *args)
3313 
3314  def get_name(self):
3315  """get_name(Diffusion self) -> std::string"""
3316  return _IMP_atom.Diffusion_get_name(self)
3317 
3318  def clear_caches(self):
3319  """clear_caches(Diffusion self)"""
3320  return _IMP_atom.Diffusion_clear_caches(self)
3321 
3322  def set_name(self, *args):
3323  """set_name(Diffusion self, std::string a0)"""
3324  return _IMP_atom.Diffusion_set_name(self, *args)
3325 
3326  def set_check_level(self, *args):
3327  """set_check_level(Diffusion self, IMP::base::CheckLevel a0)"""
3328  return _IMP_atom.Diffusion_set_check_level(self, *args)
3329 
3330  def add_to_derivative(self, *args):
3331  """add_to_derivative(Diffusion self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3332  return _IMP_atom.Diffusion_add_to_derivative(self, *args)
3333 
3334  def set_is_optimized(self, *args):
3335  """set_is_optimized(Diffusion self, FloatKey a0, bool a1)"""
3336  return _IMP_atom.Diffusion_set_is_optimized(self, *args)
3337 
3338  def get_is_optimized(self, *args):
3339  """get_is_optimized(Diffusion self, FloatKey a0) -> bool"""
3340  return _IMP_atom.Diffusion_get_is_optimized(self, *args)
3341 
3342  def get_check_level(self):
3343  """get_check_level(Diffusion self) -> IMP::base::CheckLevel"""
3344  return _IMP_atom.Diffusion_get_check_level(self)
3345 
3346  def __eq__(self, *args):
3347  """
3348  __eq__(Diffusion self, Diffusion o) -> bool
3349  __eq__(Diffusion self, Particle d) -> bool
3350  """
3351  return _IMP_atom.Diffusion___eq__(self, *args)
3352 
3353  def __ne__(self, *args):
3354  """
3355  __ne__(Diffusion self, Diffusion o) -> bool
3356  __ne__(Diffusion self, Particle d) -> bool
3357  """
3358  return _IMP_atom.Diffusion___ne__(self, *args)
3359 
3360  def __le__(self, *args):
3361  """
3362  __le__(Diffusion self, Diffusion o) -> bool
3363  __le__(Diffusion self, Particle d) -> bool
3364  """
3365  return _IMP_atom.Diffusion___le__(self, *args)
3366 
3367  def __lt__(self, *args):
3368  """
3369  __lt__(Diffusion self, Diffusion o) -> bool
3370  __lt__(Diffusion self, Particle d) -> bool
3371  """
3372  return _IMP_atom.Diffusion___lt__(self, *args)
3373 
3374  def __ge__(self, *args):
3375  """
3376  __ge__(Diffusion self, Diffusion o) -> bool
3377  __ge__(Diffusion self, Particle d) -> bool
3378  """
3379  return _IMP_atom.Diffusion___ge__(self, *args)
3380 
3381  def __gt__(self, *args):
3382  """
3383  __gt__(Diffusion self, Diffusion o) -> bool
3384  __gt__(Diffusion self, Particle d) -> bool
3385  """
3386  return _IMP_atom.Diffusion___gt__(self, *args)
3387 
3388  def __str__(self):
3389  """__str__(Diffusion self) -> std::string"""
3390  return _IMP_atom.Diffusion___str__(self)
3391 
3392  def __repr__(self):
3393  """__repr__(Diffusion self) -> std::string"""
3394  return _IMP_atom.Diffusion___repr__(self)
3395 
3396  __swig_destroy__ = _IMP_atom.delete_Diffusion
3397  __del__ = lambda self : None;
3398 Diffusion_swigregister = _IMP_atom.Diffusion_swigregister
3399 Diffusion_swigregister(Diffusion)
3400 
3401 def Diffusion_setup_particle(*args):
3402  """
3403  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Float D) -> Diffusion
3404  setup_particle(_ParticleAdaptor decorator, IMP::Float D) -> Diffusion
3405  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Vector3D v, IMP::Float D) -> Diffusion
3406  setup_particle(_ParticleAdaptor decorator, Vector3D v, IMP::Float D) -> Diffusion
3407  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> Diffusion
3408  Diffusion_setup_particle(_ParticleAdaptor decorator) -> Diffusion
3409  """
3410  return _IMP_atom.Diffusion_setup_particle(*args)
3411 
3412 def Diffusion_get_is_setup(*args):
3413  """
3414  get_is_setup(_ParticleAdaptor p) -> bool
3415  Diffusion_get_is_setup(Model m, IMP::kernel::ParticleIndex p) -> bool
3416  """
3417  return _IMP_atom.Diffusion_get_is_setup(*args)
3418 
3419 def Diffusion_get_diffusion_coefficient_key():
3420  """Diffusion_get_diffusion_coefficient_key() -> FloatKey"""
3421  return _IMP_atom.Diffusion_get_diffusion_coefficient_key()
3422 
3423 
3424 def get_diffusion_coefficient_from_cm2_per_second(*args):
3425  """get_diffusion_coefficient_from_cm2_per_second(double din) -> double"""
3426  return _IMP_atom.get_diffusion_coefficient_from_cm2_per_second(*args)
3427 class RigidBodyDiffusion(Diffusion):
3428  """Proxy of C++ IMP::atom::RigidBodyDiffusion class"""
3429  __swig_setmethods__ = {}
3430  for _s in [Diffusion]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
3431  __setattr__ = lambda self, name, value: _swig_setattr(self, RigidBodyDiffusion, name, value)
3432  __swig_getmethods__ = {}
3433  for _s in [Diffusion]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
3434  __getattr__ = lambda self, name: _swig_getattr(self, RigidBodyDiffusion, name)
3435  def __init__(self, *args):
3436  """
3437  __init__(IMP::atom::RigidBodyDiffusion self) -> RigidBodyDiffusion
3438  __init__(IMP::atom::RigidBodyDiffusion self, Model m, ::IMP::kernel::ParticleIndex id) -> RigidBodyDiffusion
3439  __init__(IMP::atom::RigidBodyDiffusion self, _ParticleAdaptor d) -> RigidBodyDiffusion
3440  """
3441  this = _IMP_atom.new_RigidBodyDiffusion(*args)
3442  try: self.this.append(this)
3443  except: self.this = this
3444  def show(self, *args):
3445  """
3446  show(RigidBodyDiffusion self, _ostream out=std::cout)
3447  show(RigidBodyDiffusion self)
3448  """
3449  return _IMP_atom.RigidBodyDiffusion_show(self, *args)
3450 
3451  def setup_particle(*args):
3452  """
3453  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> RigidBodyDiffusion
3454  setup_particle(_ParticleAdaptor decorator) -> RigidBodyDiffusion
3455  """
3456  return _IMP_atom.RigidBodyDiffusion_setup_particle(*args)
3457 
3458  if _newclass:setup_particle = staticmethod(setup_particle)
3459  __swig_getmethods__["setup_particle"] = lambda x: setup_particle
3461  """get_rotational_diffusion_coefficient(RigidBodyDiffusion self) -> double"""
3462  return _IMP_atom.RigidBodyDiffusion_get_rotational_diffusion_coefficient(self)
3463 
3464  def set_rotational_diffusion_coefficient(self, *args):
3465  """set_rotational_diffusion_coefficient(RigidBodyDiffusion self, double d)"""
3466  return _IMP_atom.RigidBodyDiffusion_set_rotational_diffusion_coefficient(self, *args)
3467 
3468  def get_is_setup(*args):
3469  """
3470  get_is_setup(_ParticleAdaptor p) -> bool
3471  get_is_setup(Model m, IMP::kernel::ParticleIndex p) -> bool
3472  """
3473  return _IMP_atom.RigidBodyDiffusion_get_is_setup(*args)
3474 
3475  if _newclass:get_is_setup = staticmethod(get_is_setup)
3476  __swig_getmethods__["get_is_setup"] = lambda x: get_is_setup
3477  def get_rotational_diffusion_coefficient_key():
3478  """get_rotational_diffusion_coefficient_key() -> FloatKey"""
3479  return _IMP_atom.RigidBodyDiffusion_get_rotational_diffusion_coefficient_key()
3480 
3481  if _newclass:get_rotational_diffusion_coefficient_key = staticmethod(get_rotational_diffusion_coefficient_key)
3482  __swig_getmethods__["get_rotational_diffusion_coefficient_key"] = lambda x: get_rotational_diffusion_coefficient_key
3483  def add_attribute(self, *args):
3484  """
3485  add_attribute(RigidBodyDiffusion self, FloatKey k, IMP::Float v, bool opt)
3486  add_attribute(RigidBodyDiffusion self, FloatKey a0, IMP::Float a1)
3487  add_attribute(RigidBodyDiffusion self, IntKey a0, IMP::Int a1)
3488  add_attribute(RigidBodyDiffusion self, StringKey a0, IMP::String a1)
3489  add_attribute(RigidBodyDiffusion self, ParticleIndexKey a0, Particle a1)
3490  add_attribute(RigidBodyDiffusion self, ObjectKey a0, Object a1)
3491  """
3492  return _IMP_atom.RigidBodyDiffusion_add_attribute(self, *args)
3493 
3494  def get_value(self, *args):
3495  """
3496  get_value(RigidBodyDiffusion self, FloatKey a0) -> IMP::Float
3497  get_value(RigidBodyDiffusion self, IntKey a0) -> IMP::Int
3498  get_value(RigidBodyDiffusion self, StringKey a0) -> IMP::String
3499  get_value(RigidBodyDiffusion self, ParticleIndexKey a0) -> Particle
3500  get_value(RigidBodyDiffusion self, ObjectKey a0) -> Object
3501  """
3502  return _IMP_atom.RigidBodyDiffusion_get_value(self, *args)
3503 
3504  def set_value(self, *args):
3505  """
3506  set_value(RigidBodyDiffusion self, FloatKey a0, IMP::Float a1)
3507  set_value(RigidBodyDiffusion self, IntKey a0, IMP::Int a1)
3508  set_value(RigidBodyDiffusion self, StringKey a0, IMP::String a1)
3509  set_value(RigidBodyDiffusion self, ParticleIndexKey a0, Particle a1)
3510  set_value(RigidBodyDiffusion self, ObjectKey a0, Object a1)
3511  """
3512  return _IMP_atom.RigidBodyDiffusion_set_value(self, *args)
3513 
3514  def remove_attribute(self, *args):
3515  """
3516  remove_attribute(RigidBodyDiffusion self, FloatKey a0)
3517  remove_attribute(RigidBodyDiffusion self, IntKey a0)
3518  remove_attribute(RigidBodyDiffusion self, StringKey a0)
3519  remove_attribute(RigidBodyDiffusion self, ParticleIndexKey a0)
3520  remove_attribute(RigidBodyDiffusion self, ObjectKey a0)
3521  """
3522  return _IMP_atom.RigidBodyDiffusion_remove_attribute(self, *args)
3523 
3524  def has_attribute(self, *args):
3525  """
3526  has_attribute(RigidBodyDiffusion self, FloatKey a0) -> bool
3527  has_attribute(RigidBodyDiffusion self, IntKey a0) -> bool
3528  has_attribute(RigidBodyDiffusion self, StringKey a0) -> bool
3529  has_attribute(RigidBodyDiffusion self, ParticleIndexKey a0) -> bool
3530  has_attribute(RigidBodyDiffusion self, ObjectKey a0) -> bool
3531  """
3532  return _IMP_atom.RigidBodyDiffusion_has_attribute(self, *args)
3533 
3534  def get_derivative(self, *args):
3535  """get_derivative(RigidBodyDiffusion self, FloatKey a0) -> double"""
3536  return _IMP_atom.RigidBodyDiffusion_get_derivative(self, *args)
3537 
3538  def get_name(self):
3539  """get_name(RigidBodyDiffusion self) -> std::string"""
3540  return _IMP_atom.RigidBodyDiffusion_get_name(self)
3541 
3542  def clear_caches(self):
3543  """clear_caches(RigidBodyDiffusion self)"""
3544  return _IMP_atom.RigidBodyDiffusion_clear_caches(self)
3545 
3546  def set_name(self, *args):
3547  """set_name(RigidBodyDiffusion self, std::string a0)"""
3548  return _IMP_atom.RigidBodyDiffusion_set_name(self, *args)
3549 
3550  def set_check_level(self, *args):
3551  """set_check_level(RigidBodyDiffusion self, IMP::base::CheckLevel a0)"""
3552  return _IMP_atom.RigidBodyDiffusion_set_check_level(self, *args)
3553 
3554  def add_to_derivative(self, *args):
3555  """add_to_derivative(RigidBodyDiffusion self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3556  return _IMP_atom.RigidBodyDiffusion_add_to_derivative(self, *args)
3557 
3558  def set_is_optimized(self, *args):
3559  """set_is_optimized(RigidBodyDiffusion self, FloatKey a0, bool a1)"""
3560  return _IMP_atom.RigidBodyDiffusion_set_is_optimized(self, *args)
3561 
3562  def get_is_optimized(self, *args):
3563  """get_is_optimized(RigidBodyDiffusion self, FloatKey a0) -> bool"""
3564  return _IMP_atom.RigidBodyDiffusion_get_is_optimized(self, *args)
3565 
3566  def get_check_level(self):
3567  """get_check_level(RigidBodyDiffusion self) -> IMP::base::CheckLevel"""
3568  return _IMP_atom.RigidBodyDiffusion_get_check_level(self)
3569 
3570  def __eq__(self, *args):
3571  """
3572  __eq__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
3573  __eq__(RigidBodyDiffusion self, Particle d) -> bool
3574  """
3575  return _IMP_atom.RigidBodyDiffusion___eq__(self, *args)
3576 
3577  def __ne__(self, *args):
3578  """
3579  __ne__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
3580  __ne__(RigidBodyDiffusion self, Particle d) -> bool
3581  """
3582  return _IMP_atom.RigidBodyDiffusion___ne__(self, *args)
3583 
3584  def __le__(self, *args):
3585  """
3586  __le__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
3587  __le__(RigidBodyDiffusion self, Particle d) -> bool
3588  """
3589  return _IMP_atom.RigidBodyDiffusion___le__(self, *args)
3590 
3591  def __lt__(self, *args):
3592  """
3593  __lt__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
3594  __lt__(RigidBodyDiffusion self, Particle d) -> bool
3595  """
3596  return _IMP_atom.RigidBodyDiffusion___lt__(self, *args)
3597 
3598  def __ge__(self, *args):
3599  """
3600  __ge__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
3601  __ge__(RigidBodyDiffusion self, Particle d) -> bool
3602  """
3603  return _IMP_atom.RigidBodyDiffusion___ge__(self, *args)
3604 
3605  def __gt__(self, *args):
3606  """
3607  __gt__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
3608  __gt__(RigidBodyDiffusion self, Particle d) -> bool
3609  """
3610  return _IMP_atom.RigidBodyDiffusion___gt__(self, *args)
3611 
3612  def __str__(self):
3613  """__str__(RigidBodyDiffusion self) -> std::string"""
3614  return _IMP_atom.RigidBodyDiffusion___str__(self)
3615 
3616  def __repr__(self):
3617  """__repr__(RigidBodyDiffusion self) -> std::string"""
3618  return _IMP_atom.RigidBodyDiffusion___repr__(self)
3619 
3620  __swig_destroy__ = _IMP_atom.delete_RigidBodyDiffusion
3621  __del__ = lambda self : None;
3622 RigidBodyDiffusion_swigregister = _IMP_atom.RigidBodyDiffusion_swigregister
3623 RigidBodyDiffusion_swigregister(RigidBodyDiffusion)
3624 
3625 def RigidBodyDiffusion_setup_particle(*args):
3626  """
3627  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> RigidBodyDiffusion
3628  RigidBodyDiffusion_setup_particle(_ParticleAdaptor decorator) -> RigidBodyDiffusion
3629  """
3630  return _IMP_atom.RigidBodyDiffusion_setup_particle(*args)
3631 
3632 def RigidBodyDiffusion_get_is_setup(*args):
3633  """
3634  get_is_setup(_ParticleAdaptor p) -> bool
3635  RigidBodyDiffusion_get_is_setup(Model m, IMP::kernel::ParticleIndex p) -> bool
3636  """
3637  return _IMP_atom.RigidBodyDiffusion_get_is_setup(*args)
3638 
3639 def RigidBodyDiffusion_get_rotational_diffusion_coefficient_key():
3640  """RigidBodyDiffusion_get_rotational_diffusion_coefficient_key() -> FloatKey"""
3641  return _IMP_atom.RigidBodyDiffusion_get_rotational_diffusion_coefficient_key()
3642 
3643 class Chain(Hierarchy):
3644  """Proxy of C++ IMP::atom::Chain class"""
3645  __swig_setmethods__ = {}
3646  for _s in [Hierarchy]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
3647  __setattr__ = lambda self, name, value: _swig_setattr(self, Chain, name, value)
3648  __swig_getmethods__ = {}
3649  for _s in [Hierarchy]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
3650  __getattr__ = lambda self, name: _swig_getattr(self, Chain, name)
3651  def __init__(self, *args):
3652  """
3653  __init__(IMP::atom::Chain self) -> Chain
3654  __init__(IMP::atom::Chain self, Model m, ::IMP::kernel::ParticleIndex id) -> Chain
3655  __init__(IMP::atom::Chain self, _ParticleAdaptor d) -> Chain
3656  """
3657  this = _IMP_atom.new_Chain(*args)
3658  try: self.this.append(this)
3659  except: self.this = this
3660  def show(self, *args):
3661  """
3662  show(Chain self, _ostream out=std::cout)
3663  show(Chain self)
3664  """
3665  return _IMP_atom.Chain_show(self, *args)
3666 
3667  def setup_particle(*args):
3668  """
3669  setup_particle(Model m, IMP::kernel::ParticleIndex pi, std::string id) -> Chain
3670  setup_particle(_ParticleAdaptor decorator, std::string id) -> Chain
3671  setup_particle(Model m, IMP::kernel::ParticleIndex pi, char id) -> Chain
3672  setup_particle(_ParticleAdaptor decorator, char id) -> Chain
3673  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Chain other) -> Chain
3674  setup_particle(_ParticleAdaptor decorator, Chain other) -> Chain
3675  """
3676  return _IMP_atom.Chain_setup_particle(*args)
3677 
3678  if _newclass:setup_particle = staticmethod(setup_particle)
3679  __swig_getmethods__["setup_particle"] = lambda x: setup_particle
3680  def get_is_setup(*args):
3681  """
3682  get_is_setup(_ParticleAdaptor p) -> bool
3683  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
3684  """
3685  return _IMP_atom.Chain_get_is_setup(*args)
3686 
3687  if _newclass:get_is_setup = staticmethod(get_is_setup)
3688  __swig_getmethods__["get_is_setup"] = lambda x: get_is_setup
3689  def get_id(self):
3690  """get_id(Chain self) -> std::string"""
3691  return _IMP_atom.Chain_get_id(self)
3692 
3693  def get_id_char(self):
3694  """get_id_char(Chain self) -> char"""
3695  return _IMP_atom.Chain_get_id_char(self)
3696 
3697  def set_id(self, *args):
3698  """set_id(Chain self, std::string c)"""
3699  return _IMP_atom.Chain_set_id(self, *args)
3700 
3701  def get_id_key():
3702  """get_id_key() -> StringKey"""
3703  return _IMP_atom.Chain_get_id_key()
3704 
3705  if _newclass:get_id_key = staticmethod(get_id_key)
3706  __swig_getmethods__["get_id_key"] = lambda x: get_id_key
3707  def add_attribute(self, *args):
3708  """
3709  add_attribute(Chain self, FloatKey k, IMP::Float v, bool opt)
3710  add_attribute(Chain self, FloatKey a0, IMP::Float a1)
3711  add_attribute(Chain self, IntKey a0, IMP::Int a1)
3712  add_attribute(Chain self, StringKey a0, IMP::String a1)
3713  add_attribute(Chain self, ParticleIndexKey a0, Particle a1)
3714  add_attribute(Chain self, ObjectKey a0, Object a1)
3715  """
3716  return _IMP_atom.Chain_add_attribute(self, *args)
3717 
3718  def get_value(self, *args):
3719  """
3720  get_value(Chain self, FloatKey a0) -> IMP::Float
3721  get_value(Chain self, IntKey a0) -> IMP::Int
3722  get_value(Chain self, StringKey a0) -> IMP::String
3723  get_value(Chain self, ParticleIndexKey a0) -> Particle
3724  get_value(Chain self, ObjectKey a0) -> Object
3725  """
3726  return _IMP_atom.Chain_get_value(self, *args)
3727 
3728  def set_value(self, *args):
3729  """
3730  set_value(Chain self, FloatKey a0, IMP::Float a1)
3731  set_value(Chain self, IntKey a0, IMP::Int a1)
3732  set_value(Chain self, StringKey a0, IMP::String a1)
3733  set_value(Chain self, ParticleIndexKey a0, Particle a1)
3734  set_value(Chain self, ObjectKey a0, Object a1)
3735  """
3736  return _IMP_atom.Chain_set_value(self, *args)
3737 
3738  def remove_attribute(self, *args):
3739  """
3740  remove_attribute(Chain self, FloatKey a0)
3741  remove_attribute(Chain self, IntKey a0)
3742  remove_attribute(Chain self, StringKey a0)
3743  remove_attribute(Chain self, ParticleIndexKey a0)
3744  remove_attribute(Chain self, ObjectKey a0)
3745  """
3746  return _IMP_atom.Chain_remove_attribute(self, *args)
3747 
3748  def has_attribute(self, *args):
3749  """
3750  has_attribute(Chain self, FloatKey a0) -> bool
3751  has_attribute(Chain self, IntKey a0) -> bool
3752  has_attribute(Chain self, StringKey a0) -> bool
3753  has_attribute(Chain self, ParticleIndexKey a0) -> bool
3754  has_attribute(Chain self, ObjectKey a0) -> bool
3755  """
3756  return _IMP_atom.Chain_has_attribute(self, *args)
3757 
3758  def get_derivative(self, *args):
3759  """get_derivative(Chain self, FloatKey a0) -> double"""
3760  return _IMP_atom.Chain_get_derivative(self, *args)
3761 
3762  def get_name(self):
3763  """get_name(Chain self) -> std::string"""
3764  return _IMP_atom.Chain_get_name(self)
3765 
3766  def clear_caches(self):
3767  """clear_caches(Chain self)"""
3768  return _IMP_atom.Chain_clear_caches(self)
3769 
3770  def set_name(self, *args):
3771  """set_name(Chain self, std::string a0)"""
3772  return _IMP_atom.Chain_set_name(self, *args)
3773 
3774  def set_check_level(self, *args):
3775  """set_check_level(Chain self, IMP::base::CheckLevel a0)"""
3776  return _IMP_atom.Chain_set_check_level(self, *args)
3777 
3778  def add_to_derivative(self, *args):
3779  """add_to_derivative(Chain self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3780  return _IMP_atom.Chain_add_to_derivative(self, *args)
3781 
3782  def set_is_optimized(self, *args):
3783  """set_is_optimized(Chain self, FloatKey a0, bool a1)"""
3784  return _IMP_atom.Chain_set_is_optimized(self, *args)
3785 
3786  def get_is_optimized(self, *args):
3787  """get_is_optimized(Chain self, FloatKey a0) -> bool"""
3788  return _IMP_atom.Chain_get_is_optimized(self, *args)
3789 
3790  def get_check_level(self):
3791  """get_check_level(Chain self) -> IMP::base::CheckLevel"""
3792  return _IMP_atom.Chain_get_check_level(self)
3793 
3794  def __eq__(self, *args):
3795  """
3796  __eq__(Chain self, Chain o) -> bool
3797  __eq__(Chain self, Particle d) -> bool
3798  """
3799  return _IMP_atom.Chain___eq__(self, *args)
3800 
3801  def __ne__(self, *args):
3802  """
3803  __ne__(Chain self, Chain o) -> bool
3804  __ne__(Chain self, Particle d) -> bool
3805  """
3806  return _IMP_atom.Chain___ne__(self, *args)
3807 
3808  def __le__(self, *args):
3809  """
3810  __le__(Chain self, Chain o) -> bool
3811  __le__(Chain self, Particle d) -> bool
3812  """
3813  return _IMP_atom.Chain___le__(self, *args)
3814 
3815  def __lt__(self, *args):
3816  """
3817  __lt__(Chain self, Chain o) -> bool
3818  __lt__(Chain self, Particle d) -> bool
3819  """
3820  return _IMP_atom.Chain___lt__(self, *args)
3821 
3822  def __ge__(self, *args):
3823  """
3824  __ge__(Chain self, Chain o) -> bool
3825  __ge__(Chain self, Particle d) -> bool
3826  """
3827  return _IMP_atom.Chain___ge__(self, *args)
3828 
3829  def __gt__(self, *args):
3830  """
3831  __gt__(Chain self, Chain o) -> bool
3832  __gt__(Chain self, Particle d) -> bool
3833  """
3834  return _IMP_atom.Chain___gt__(self, *args)
3835 
3836  def __str__(self):
3837  """__str__(Chain self) -> std::string"""
3838  return _IMP_atom.Chain___str__(self)
3839 
3840  def __repr__(self):
3841  """__repr__(Chain self) -> std::string"""
3842  return _IMP_atom.Chain___repr__(self)
3843 
3844  __swig_destroy__ = _IMP_atom.delete_Chain
3845  __del__ = lambda self : None;
3846 Chain_swigregister = _IMP_atom.Chain_swigregister
3847 Chain_swigregister(Chain)
3848 
3849 def Chain_setup_particle(*args):
3850  """
3851  setup_particle(Model m, IMP::kernel::ParticleIndex pi, std::string id) -> Chain
3852  setup_particle(_ParticleAdaptor decorator, std::string id) -> Chain
3853  setup_particle(Model m, IMP::kernel::ParticleIndex pi, char id) -> Chain
3854  setup_particle(_ParticleAdaptor decorator, char id) -> Chain
3855  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Chain other) -> Chain
3856  Chain_setup_particle(_ParticleAdaptor decorator, Chain other) -> Chain
3857  """
3858  return _IMP_atom.Chain_setup_particle(*args)
3859 
3860 def Chain_get_is_setup(*args):
3861  """
3862  get_is_setup(_ParticleAdaptor p) -> bool
3863  Chain_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
3864  """
3865  return _IMP_atom.Chain_get_is_setup(*args)
3866 
3867 def Chain_get_id_key():
3868  """Chain_get_id_key() -> StringKey"""
3869  return _IMP_atom.Chain_get_id_key()
3870 
3871 
3872 def get_chain(*args):
3873  """get_chain(Hierarchy h) -> Chain"""
3874  return _IMP_atom.get_chain(*args)
3875 
3876 def get_chain_id(*args):
3877  """get_chain_id(Hierarchy h) -> std::string"""
3878  return _IMP_atom.get_chain_id(*args)
3879 class Charged(IMP.core.XYZ):
3880  """Proxy of C++ IMP::atom::Charged class"""
3881  __swig_setmethods__ = {}
3882  for _s in [IMP.core.XYZ]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
3883  __setattr__ = lambda self, name, value: _swig_setattr(self, Charged, name, value)
3884  __swig_getmethods__ = {}
3885  for _s in [IMP.core.XYZ]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
3886  __getattr__ = lambda self, name: _swig_getattr(self, Charged, name)
3887  def __init__(self, *args):
3888  """
3889  __init__(IMP::atom::Charged self) -> Charged
3890  __init__(IMP::atom::Charged self, Model m, ::IMP::kernel::ParticleIndex id) -> Charged
3891  __init__(IMP::atom::Charged self, _ParticleAdaptor d) -> Charged
3892  """
3893  this = _IMP_atom.new_Charged(*args)
3894  try: self.this.append(this)
3895  except: self.this = this
3896  def show(self, *args):
3897  """
3898  show(Charged self, _ostream out=std::cout)
3899  show(Charged self)
3900  """
3901  return _IMP_atom.Charged_show(self, *args)
3902 
3903  def setup_particle(*args):
3904  """
3905  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Float charge) -> Charged
3906  setup_particle(_ParticleAdaptor decorator, IMP::Float charge) -> Charged
3907  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Vector3D v, IMP::Float charge) -> Charged
3908  setup_particle(_ParticleAdaptor decorator, Vector3D v, IMP::Float charge) -> Charged
3909  """
3910  return _IMP_atom.Charged_setup_particle(*args)
3911 
3912  if _newclass:setup_particle = staticmethod(setup_particle)
3913  __swig_getmethods__["setup_particle"] = lambda x: setup_particle
3914  def get_charge(self):
3915  """get_charge(Charged self) -> IMP::Float"""
3916  return _IMP_atom.Charged_get_charge(self)
3917 
3918  def set_charge(self, *args):
3919  """set_charge(Charged self, IMP::Float t)"""
3920  return _IMP_atom.Charged_set_charge(self, *args)
3921 
3922  def get_is_setup(*args):
3923  """
3924  get_is_setup(_ParticleAdaptor p) -> bool
3925  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
3926  """
3927  return _IMP_atom.Charged_get_is_setup(*args)
3928 
3929  if _newclass:get_is_setup = staticmethod(get_is_setup)
3930  __swig_getmethods__["get_is_setup"] = lambda x: get_is_setup
3931  def get_charge_key():
3932  """get_charge_key() -> FloatKey"""
3933  return _IMP_atom.Charged_get_charge_key()
3934 
3935  if _newclass:get_charge_key = staticmethod(get_charge_key)
3936  __swig_getmethods__["get_charge_key"] = lambda x: get_charge_key
3937  def add_attribute(self, *args):
3938  """
3939  add_attribute(Charged self, FloatKey k, IMP::Float v, bool opt)
3940  add_attribute(Charged self, FloatKey a0, IMP::Float a1)
3941  add_attribute(Charged self, IntKey a0, IMP::Int a1)
3942  add_attribute(Charged self, StringKey a0, IMP::String a1)
3943  add_attribute(Charged self, ParticleIndexKey a0, Particle a1)
3944  add_attribute(Charged self, ObjectKey a0, Object a1)
3945  """
3946  return _IMP_atom.Charged_add_attribute(self, *args)
3947 
3948  def get_value(self, *args):
3949  """
3950  get_value(Charged self, FloatKey a0) -> IMP::Float
3951  get_value(Charged self, IntKey a0) -> IMP::Int
3952  get_value(Charged self, StringKey a0) -> IMP::String
3953  get_value(Charged self, ParticleIndexKey a0) -> Particle
3954  get_value(Charged self, ObjectKey a0) -> Object
3955  """
3956  return _IMP_atom.Charged_get_value(self, *args)
3957 
3958  def set_value(self, *args):
3959  """
3960  set_value(Charged self, FloatKey a0, IMP::Float a1)
3961  set_value(Charged self, IntKey a0, IMP::Int a1)
3962  set_value(Charged self, StringKey a0, IMP::String a1)
3963  set_value(Charged self, ParticleIndexKey a0, Particle a1)
3964  set_value(Charged self, ObjectKey a0, Object a1)
3965  """
3966  return _IMP_atom.Charged_set_value(self, *args)
3967 
3968  def remove_attribute(self, *args):
3969  """
3970  remove_attribute(Charged self, FloatKey a0)
3971  remove_attribute(Charged self, IntKey a0)
3972  remove_attribute(Charged self, StringKey a0)
3973  remove_attribute(Charged self, ParticleIndexKey a0)
3974  remove_attribute(Charged self, ObjectKey a0)
3975  """
3976  return _IMP_atom.Charged_remove_attribute(self, *args)
3977 
3978  def has_attribute(self, *args):
3979  """
3980  has_attribute(Charged self, FloatKey a0) -> bool
3981  has_attribute(Charged self, IntKey a0) -> bool
3982  has_attribute(Charged self, StringKey a0) -> bool
3983  has_attribute(Charged self, ParticleIndexKey a0) -> bool
3984  has_attribute(Charged self, ObjectKey a0) -> bool
3985  """
3986  return _IMP_atom.Charged_has_attribute(self, *args)
3987 
3988  def get_derivative(self, *args):
3989  """get_derivative(Charged self, FloatKey a0) -> double"""
3990  return _IMP_atom.Charged_get_derivative(self, *args)
3991 
3992  def get_name(self):
3993  """get_name(Charged self) -> std::string"""
3994  return _IMP_atom.Charged_get_name(self)
3995 
3996  def clear_caches(self):
3997  """clear_caches(Charged self)"""
3998  return _IMP_atom.Charged_clear_caches(self)
3999 
4000  def set_name(self, *args):
4001  """set_name(Charged self, std::string a0)"""
4002  return _IMP_atom.Charged_set_name(self, *args)
4003 
4004  def set_check_level(self, *args):
4005  """set_check_level(Charged self, IMP::base::CheckLevel a0)"""
4006  return _IMP_atom.Charged_set_check_level(self, *args)
4007 
4008  def add_to_derivative(self, *args):
4009  """add_to_derivative(Charged self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4010  return _IMP_atom.Charged_add_to_derivative(self, *args)
4011 
4012  def set_is_optimized(self, *args):
4013  """set_is_optimized(Charged self, FloatKey a0, bool a1)"""
4014  return _IMP_atom.Charged_set_is_optimized(self, *args)
4015 
4016  def get_is_optimized(self, *args):
4017  """get_is_optimized(Charged self, FloatKey a0) -> bool"""
4018  return _IMP_atom.Charged_get_is_optimized(self, *args)
4019 
4020  def get_check_level(self):
4021  """get_check_level(Charged self) -> IMP::base::CheckLevel"""
4022  return _IMP_atom.Charged_get_check_level(self)
4023 
4024  def __eq__(self, *args):
4025  """
4026  __eq__(Charged self, Charged o) -> bool
4027  __eq__(Charged self, Particle d) -> bool
4028  """
4029  return _IMP_atom.Charged___eq__(self, *args)
4030 
4031  def __ne__(self, *args):
4032  """
4033  __ne__(Charged self, Charged o) -> bool
4034  __ne__(Charged self, Particle d) -> bool
4035  """
4036  return _IMP_atom.Charged___ne__(self, *args)
4037 
4038  def __le__(self, *args):
4039  """
4040  __le__(Charged self, Charged o) -> bool
4041  __le__(Charged self, Particle d) -> bool
4042  """
4043  return _IMP_atom.Charged___le__(self, *args)
4044 
4045  def __lt__(self, *args):
4046  """
4047  __lt__(Charged self, Charged o) -> bool
4048  __lt__(Charged self, Particle d) -> bool
4049  """
4050  return _IMP_atom.Charged___lt__(self, *args)
4051 
4052  def __ge__(self, *args):
4053  """
4054  __ge__(Charged self, Charged o) -> bool
4055  __ge__(Charged self, Particle d) -> bool
4056  """
4057  return _IMP_atom.Charged___ge__(self, *args)
4058 
4059  def __gt__(self, *args):
4060  """
4061  __gt__(Charged self, Charged o) -> bool
4062  __gt__(Charged self, Particle d) -> bool
4063  """
4064  return _IMP_atom.Charged___gt__(self, *args)
4065 
4066  def __str__(self):
4067  """__str__(Charged self) -> std::string"""
4068  return _IMP_atom.Charged___str__(self)
4069 
4070  def __repr__(self):
4071  """__repr__(Charged self) -> std::string"""
4072  return _IMP_atom.Charged___repr__(self)
4073 
4074  __swig_destroy__ = _IMP_atom.delete_Charged
4075  __del__ = lambda self : None;
4076 Charged_swigregister = _IMP_atom.Charged_swigregister
4077 Charged_swigregister(Charged)
4078 
4079 def Charged_setup_particle(*args):
4080  """
4081  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Float charge) -> Charged
4082  setup_particle(_ParticleAdaptor decorator, IMP::Float charge) -> Charged
4083  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Vector3D v, IMP::Float charge) -> Charged
4084  Charged_setup_particle(_ParticleAdaptor decorator, Vector3D v, IMP::Float charge) -> Charged
4085  """
4086  return _IMP_atom.Charged_setup_particle(*args)
4087 
4088 def Charged_get_is_setup(*args):
4089  """
4090  get_is_setup(_ParticleAdaptor p) -> bool
4091  Charged_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
4092  """
4093  return _IMP_atom.Charged_get_is_setup(*args)
4094 
4095 def Charged_get_charge_key():
4096  """Charged_get_charge_key() -> FloatKey"""
4097  return _IMP_atom.Charged_get_charge_key()
4098 
4099 class CoulombPairScore(IMP.kernel.PairScore):
4100  """Proxy of C++ IMP::atom::CoulombPairScore class"""
4101  __swig_setmethods__ = {}
4102  for _s in [IMP.kernel.PairScore]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
4103  __setattr__ = lambda self, name, value: _swig_setattr(self, CoulombPairScore, name, value)
4104  __swig_getmethods__ = {}
4105  for _s in [IMP.kernel.PairScore]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
4106  __getattr__ = lambda self, name: _swig_getattr(self, CoulombPairScore, name)
4107  def __init__(self, *args):
4108  """__init__(IMP::atom::CoulombPairScore self, SmoothingFunction f) -> CoulombPairScore"""
4109  this = _IMP_atom.new_CoulombPairScore(*args)
4110  try: self.this.append(this)
4111  except: self.this = this
4112  def set_relative_dielectric(self, *args):
4113  """set_relative_dielectric(CoulombPairScore self, double relative_dielectric)"""
4114  return _IMP_atom.CoulombPairScore_set_relative_dielectric(self, *args)
4115 
4116  def get_relative_dielectric(self):
4117  """get_relative_dielectric(CoulombPairScore self) -> double"""
4118  return _IMP_atom.CoulombPairScore_get_relative_dielectric(self)
4119 
4120  def do_get_inputs(self, *args):
4121  """do_get_inputs(CoulombPairScore self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
4122  return _IMP_atom.CoulombPairScore_do_get_inputs(self, *args)
4123 
4124  def get_version_info(self):
4125  """get_version_info(CoulombPairScore self) -> VersionInfo"""
4126  return _IMP_atom.CoulombPairScore_get_version_info(self)
4127 
4128  def __str__(self):
4129  """__str__(CoulombPairScore self) -> std::string"""
4130  return _IMP_atom.CoulombPairScore___str__(self)
4131 
4132  def __repr__(self):
4133  """__repr__(CoulombPairScore self) -> std::string"""
4134  return _IMP_atom.CoulombPairScore___repr__(self)
4135 
4136  def get_from(o):
4137  return _object_cast_to_CoulombPairScore(o)
4138  get_from = staticmethod(get_from)
4139 
4140 CoulombPairScore_swigregister = _IMP_atom.CoulombPairScore_swigregister
4141 CoulombPairScore_swigregister(CoulombPairScore)
4142 
4143 class Domain(Hierarchy):
4144  """Proxy of C++ IMP::atom::Domain class"""
4145  __swig_setmethods__ = {}
4146  for _s in [Hierarchy]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
4147  __setattr__ = lambda self, name, value: _swig_setattr(self, Domain, name, value)
4148  __swig_getmethods__ = {}
4149  for _s in [Hierarchy]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
4150  __getattr__ = lambda self, name: _swig_getattr(self, Domain, name)
4151  def set_index_range(self, *args):
4152  """set_index_range(Domain self, IMP::IntRange ir)"""
4153  return _IMP_atom.Domain_set_index_range(self, *args)
4154 
4155  def get_index_range(self):
4156  """get_index_range(Domain self) -> IMP::IntRange"""
4157  return _IMP_atom.Domain_get_index_range(self)
4158 
4159  def __init__(self, *args):
4160  """
4161  __init__(IMP::atom::Domain self) -> Domain
4162  __init__(IMP::atom::Domain self, Model m, ::IMP::kernel::ParticleIndex id) -> Domain
4163  __init__(IMP::atom::Domain self, _ParticleAdaptor d) -> Domain
4164  """
4165  this = _IMP_atom.new_Domain(*args)
4166  try: self.this.append(this)
4167  except: self.this = this
4168  def get_is_setup(*args):
4169  """
4170  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
4171  get_is_setup(_ParticleAdaptor p) -> bool
4172  """
4173  return _IMP_atom.Domain_get_is_setup(*args)
4174 
4175  if _newclass:get_is_setup = staticmethod(get_is_setup)
4176  __swig_getmethods__["get_is_setup"] = lambda x: get_is_setup
4177  def show(self, *args):
4178  """
4179  show(Domain self, _ostream out=std::cout)
4180  show(Domain self)
4181  """
4182  return _IMP_atom.Domain_show(self, *args)
4183 
4184  def setup_particle(*args):
4185  """
4186  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Domain other) -> Domain
4187  setup_particle(_ParticleAdaptor decorator, Domain other) -> Domain
4188  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::IntRange residues) -> Domain
4189  setup_particle(_ParticleAdaptor decorator, IMP::IntRange residues) -> Domain
4190  """
4191  return _IMP_atom.Domain_setup_particle(*args)
4192 
4193  if _newclass:setup_particle = staticmethod(setup_particle)
4194  __swig_getmethods__["setup_particle"] = lambda x: setup_particle
4195  def add_attribute(self, *args):
4196  """
4197  add_attribute(Domain self, FloatKey k, IMP::Float v, bool opt)
4198  add_attribute(Domain self, FloatKey a0, IMP::Float a1)
4199  add_attribute(Domain self, IntKey a0, IMP::Int a1)
4200  add_attribute(Domain self, StringKey a0, IMP::String a1)
4201  add_attribute(Domain self, ParticleIndexKey a0, Particle a1)
4202  add_attribute(Domain self, ObjectKey a0, Object a1)
4203  """
4204  return _IMP_atom.Domain_add_attribute(self, *args)
4205 
4206  def get_value(self, *args):
4207  """
4208  get_value(Domain self, FloatKey a0) -> IMP::Float
4209  get_value(Domain self, IntKey a0) -> IMP::Int
4210  get_value(Domain self, StringKey a0) -> IMP::String
4211  get_value(Domain self, ParticleIndexKey a0) -> Particle
4212  get_value(Domain self, ObjectKey a0) -> Object
4213  """
4214  return _IMP_atom.Domain_get_value(self, *args)
4215 
4216  def set_value(self, *args):
4217  """
4218  set_value(Domain self, FloatKey a0, IMP::Float a1)
4219  set_value(Domain self, IntKey a0, IMP::Int a1)
4220  set_value(Domain self, StringKey a0, IMP::String a1)
4221  set_value(Domain self, ParticleIndexKey a0, Particle a1)
4222  set_value(Domain self, ObjectKey a0, Object a1)
4223  """
4224  return _IMP_atom.Domain_set_value(self, *args)
4225 
4226  def remove_attribute(self, *args):
4227  """
4228  remove_attribute(Domain self, FloatKey a0)
4229  remove_attribute(Domain self, IntKey a0)
4230  remove_attribute(Domain self, StringKey a0)
4231  remove_attribute(Domain self, ParticleIndexKey a0)
4232  remove_attribute(Domain self, ObjectKey a0)
4233  """
4234  return _IMP_atom.Domain_remove_attribute(self, *args)
4235 
4236  def has_attribute(self, *args):
4237  """
4238  has_attribute(Domain self, FloatKey a0) -> bool
4239  has_attribute(Domain self, IntKey a0) -> bool
4240  has_attribute(Domain self, StringKey a0) -> bool
4241  has_attribute(Domain self, ParticleIndexKey a0) -> bool
4242  has_attribute(Domain self, ObjectKey a0) -> bool
4243  """
4244  return _IMP_atom.Domain_has_attribute(self, *args)
4245 
4246  def get_derivative(self, *args):
4247  """get_derivative(Domain self, FloatKey a0) -> double"""
4248  return _IMP_atom.Domain_get_derivative(self, *args)
4249 
4250  def get_name(self):
4251  """get_name(Domain self) -> std::string"""
4252  return _IMP_atom.Domain_get_name(self)
4253 
4254  def clear_caches(self):
4255  """clear_caches(Domain self)"""
4256  return _IMP_atom.Domain_clear_caches(self)
4257 
4258  def set_name(self, *args):
4259  """set_name(Domain self, std::string a0)"""
4260  return _IMP_atom.Domain_set_name(self, *args)
4261 
4262  def set_check_level(self, *args):
4263  """set_check_level(Domain self, IMP::base::CheckLevel a0)"""
4264  return _IMP_atom.Domain_set_check_level(self, *args)
4265 
4266  def add_to_derivative(self, *args):
4267  """add_to_derivative(Domain self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4268  return _IMP_atom.Domain_add_to_derivative(self, *args)
4269 
4270  def set_is_optimized(self, *args):
4271  """set_is_optimized(Domain self, FloatKey a0, bool a1)"""
4272  return _IMP_atom.Domain_set_is_optimized(self, *args)
4273 
4274  def get_is_optimized(self, *args):
4275  """get_is_optimized(Domain self, FloatKey a0) -> bool"""
4276  return _IMP_atom.Domain_get_is_optimized(self, *args)
4277 
4278  def get_check_level(self):
4279  """get_check_level(Domain self) -> IMP::base::CheckLevel"""
4280  return _IMP_atom.Domain_get_check_level(self)
4281 
4282  def __eq__(self, *args):
4283  """
4284  __eq__(Domain self, Domain o) -> bool
4285  __eq__(Domain self, Particle d) -> bool
4286  """
4287  return _IMP_atom.Domain___eq__(self, *args)
4288 
4289  def __ne__(self, *args):
4290  """
4291  __ne__(Domain self, Domain o) -> bool
4292  __ne__(Domain self, Particle d) -> bool
4293  """
4294  return _IMP_atom.Domain___ne__(self, *args)
4295 
4296  def __le__(self, *args):
4297  """
4298  __le__(Domain self, Domain o) -> bool
4299  __le__(Domain self, Particle d) -> bool
4300  """
4301  return _IMP_atom.Domain___le__(self, *args)
4302 
4303  def __lt__(self, *args):
4304  """
4305  __lt__(Domain self, Domain o) -> bool
4306  __lt__(Domain self, Particle d) -> bool
4307  """
4308  return _IMP_atom.Domain___lt__(self, *args)
4309 
4310  def __ge__(self, *args):
4311  """
4312  __ge__(Domain self, Domain o) -> bool
4313  __ge__(Domain self, Particle d) -> bool
4314  """
4315  return _IMP_atom.Domain___ge__(self, *args)
4316 
4317  def __gt__(self, *args):
4318  """
4319  __gt__(Domain self, Domain o) -> bool
4320  __gt__(Domain self, Particle d) -> bool
4321  """
4322  return _IMP_atom.Domain___gt__(self, *args)
4323 
4324  def __str__(self):
4325  """__str__(Domain self) -> std::string"""
4326  return _IMP_atom.Domain___str__(self)
4327 
4328  def __repr__(self):
4329  """__repr__(Domain self) -> std::string"""
4330  return _IMP_atom.Domain___repr__(self)
4331 
4332  __swig_destroy__ = _IMP_atom.delete_Domain
4333  __del__ = lambda self : None;
4334 Domain_swigregister = _IMP_atom.Domain_swigregister
4335 Domain_swigregister(Domain)
4336 
4337 def Domain_get_is_setup(*args):
4338  """
4339  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
4340  Domain_get_is_setup(_ParticleAdaptor p) -> bool
4341  """
4342  return _IMP_atom.Domain_get_is_setup(*args)
4343 
4344 def Domain_setup_particle(*args):
4345  """
4346  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Domain other) -> Domain
4347  setup_particle(_ParticleAdaptor decorator, Domain other) -> Domain
4348  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::IntRange residues) -> Domain
4349  Domain_setup_particle(_ParticleAdaptor decorator, IMP::IntRange residues) -> Domain
4350  """
4351  return _IMP_atom.Domain_setup_particle(*args)
4352 
4353 class LennardJones(IMP.core.XYZR):
4354  """Proxy of C++ IMP::atom::LennardJones class"""
4355  __swig_setmethods__ = {}
4356  for _s in [IMP.core.XYZR]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
4357  __setattr__ = lambda self, name, value: _swig_setattr(self, LennardJones, name, value)
4358  __swig_getmethods__ = {}
4359  for _s in [IMP.core.XYZR]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
4360  __getattr__ = lambda self, name: _swig_getattr(self, LennardJones, name)
4361  def __init__(self, *args):
4362  """
4363  __init__(IMP::atom::LennardJones self) -> LennardJones
4364  __init__(IMP::atom::LennardJones self, Model m, ::IMP::kernel::ParticleIndex id) -> LennardJones
4365  __init__(IMP::atom::LennardJones self, _ParticleAdaptor d) -> LennardJones
4366  """
4367  this = _IMP_atom.new_LennardJones(*args)
4368  try: self.this.append(this)
4369  except: self.this = this
4370  def show(self, *args):
4371  """
4372  show(LennardJones self, _ostream out=std::cout)
4373  show(LennardJones self)
4374  """
4375  return _IMP_atom.LennardJones_show(self, *args)
4376 
4377  def setup_particle(*args):
4378  """
4379  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> LennardJones
4380  setup_particle(_ParticleAdaptor decorator) -> LennardJones
4381  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Float well_depth) -> LennardJones
4382  setup_particle(_ParticleAdaptor decorator, IMP::Float well_depth) -> LennardJones
4383  """
4384  return _IMP_atom.LennardJones_setup_particle(*args)
4385 
4386  if _newclass:setup_particle = staticmethod(setup_particle)
4387  __swig_getmethods__["setup_particle"] = lambda x: setup_particle
4388  def get_well_depth(self):
4389  """get_well_depth(LennardJones self) -> IMP::Float"""
4390  return _IMP_atom.LennardJones_get_well_depth(self)
4391 
4392  def set_well_depth(self, *args):
4393  """set_well_depth(LennardJones self, IMP::Float well_depth)"""
4394  return _IMP_atom.LennardJones_set_well_depth(self, *args)
4395 
4396  def get_is_setup(*args):
4397  """
4398  get_is_setup(_ParticleAdaptor p) -> bool
4399  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
4400  """
4401  return _IMP_atom.LennardJones_get_is_setup(*args)
4402 
4403  if _newclass:get_is_setup = staticmethod(get_is_setup)
4404  __swig_getmethods__["get_is_setup"] = lambda x: get_is_setup
4405  def get_well_depth_key():
4406  """get_well_depth_key() -> FloatKey"""
4407  return _IMP_atom.LennardJones_get_well_depth_key()
4408 
4409  if _newclass:get_well_depth_key = staticmethod(get_well_depth_key)
4410  __swig_getmethods__["get_well_depth_key"] = lambda x: get_well_depth_key
4411  def add_attribute(self, *args):
4412  """
4413  add_attribute(LennardJones self, FloatKey k, IMP::Float v, bool opt)
4414  add_attribute(LennardJones self, FloatKey a0, IMP::Float a1)
4415  add_attribute(LennardJones self, IntKey a0, IMP::Int a1)
4416  add_attribute(LennardJones self, StringKey a0, IMP::String a1)
4417  add_attribute(LennardJones self, ParticleIndexKey a0, Particle a1)
4418  add_attribute(LennardJones self, ObjectKey a0, Object a1)
4419  """
4420  return _IMP_atom.LennardJones_add_attribute(self, *args)
4421 
4422  def get_value(self, *args):
4423  """
4424  get_value(LennardJones self, FloatKey a0) -> IMP::Float
4425  get_value(LennardJones self, IntKey a0) -> IMP::Int
4426  get_value(LennardJones self, StringKey a0) -> IMP::String
4427  get_value(LennardJones self, ParticleIndexKey a0) -> Particle
4428  get_value(LennardJones self, ObjectKey a0) -> Object
4429  """
4430  return _IMP_atom.LennardJones_get_value(self, *args)
4431 
4432  def set_value(self, *args):
4433  """
4434  set_value(LennardJones self, FloatKey a0, IMP::Float a1)
4435  set_value(LennardJones self, IntKey a0, IMP::Int a1)
4436  set_value(LennardJones self, StringKey a0, IMP::String a1)
4437  set_value(LennardJones self, ParticleIndexKey a0, Particle a1)
4438  set_value(LennardJones self, ObjectKey a0, Object a1)
4439  """
4440  return _IMP_atom.LennardJones_set_value(self, *args)
4441 
4442  def remove_attribute(self, *args):
4443  """
4444  remove_attribute(LennardJones self, FloatKey a0)
4445  remove_attribute(LennardJones self, IntKey a0)
4446  remove_attribute(LennardJones self, StringKey a0)
4447  remove_attribute(LennardJones self, ParticleIndexKey a0)
4448  remove_attribute(LennardJones self, ObjectKey a0)
4449  """
4450  return _IMP_atom.LennardJones_remove_attribute(self, *args)
4451 
4452  def has_attribute(self, *args):
4453  """
4454  has_attribute(LennardJones self, FloatKey a0) -> bool
4455  has_attribute(LennardJones self, IntKey a0) -> bool
4456  has_attribute(LennardJones self, StringKey a0) -> bool
4457  has_attribute(LennardJones self, ParticleIndexKey a0) -> bool
4458  has_attribute(LennardJones self, ObjectKey a0) -> bool
4459  """
4460  return _IMP_atom.LennardJones_has_attribute(self, *args)
4461 
4462  def get_derivative(self, *args):
4463  """get_derivative(LennardJones self, FloatKey a0) -> double"""
4464  return _IMP_atom.LennardJones_get_derivative(self, *args)
4465 
4466  def get_name(self):
4467  """get_name(LennardJones self) -> std::string"""
4468  return _IMP_atom.LennardJones_get_name(self)
4469 
4470  def clear_caches(self):
4471  """clear_caches(LennardJones self)"""
4472  return _IMP_atom.LennardJones_clear_caches(self)
4473 
4474  def set_name(self, *args):
4475  """set_name(LennardJones self, std::string a0)"""
4476  return _IMP_atom.LennardJones_set_name(self, *args)
4477 
4478  def set_check_level(self, *args):
4479  """set_check_level(LennardJones self, IMP::base::CheckLevel a0)"""
4480  return _IMP_atom.LennardJones_set_check_level(self, *args)
4481 
4482  def add_to_derivative(self, *args):
4483  """add_to_derivative(LennardJones self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4484  return _IMP_atom.LennardJones_add_to_derivative(self, *args)
4485 
4486  def set_is_optimized(self, *args):
4487  """set_is_optimized(LennardJones self, FloatKey a0, bool a1)"""
4488  return _IMP_atom.LennardJones_set_is_optimized(self, *args)
4489 
4490  def get_is_optimized(self, *args):
4491  """get_is_optimized(LennardJones self, FloatKey a0) -> bool"""
4492  return _IMP_atom.LennardJones_get_is_optimized(self, *args)
4493 
4494  def get_check_level(self):
4495  """get_check_level(LennardJones self) -> IMP::base::CheckLevel"""
4496  return _IMP_atom.LennardJones_get_check_level(self)
4497 
4498  def __eq__(self, *args):
4499  """
4500  __eq__(LennardJones self, LennardJones o) -> bool
4501  __eq__(LennardJones self, Particle d) -> bool
4502  """
4503  return _IMP_atom.LennardJones___eq__(self, *args)
4504 
4505  def __ne__(self, *args):
4506  """
4507  __ne__(LennardJones self, LennardJones o) -> bool
4508  __ne__(LennardJones self, Particle d) -> bool
4509  """
4510  return _IMP_atom.LennardJones___ne__(self, *args)
4511 
4512  def __le__(self, *args):
4513  """
4514  __le__(LennardJones self, LennardJones o) -> bool
4515  __le__(LennardJones self, Particle d) -> bool
4516  """
4517  return _IMP_atom.LennardJones___le__(self, *args)
4518 
4519  def __lt__(self, *args):
4520  """
4521  __lt__(LennardJones self, LennardJones o) -> bool
4522  __lt__(LennardJones self, Particle d) -> bool
4523  """
4524  return _IMP_atom.LennardJones___lt__(self, *args)
4525 
4526  def __ge__(self, *args):
4527  """
4528  __ge__(LennardJones self, LennardJones o) -> bool
4529  __ge__(LennardJones self, Particle d) -> bool
4530  """
4531  return _IMP_atom.LennardJones___ge__(self, *args)
4532 
4533  def __gt__(self, *args):
4534  """
4535  __gt__(LennardJones self, LennardJones o) -> bool
4536  __gt__(LennardJones self, Particle d) -> bool
4537  """
4538  return _IMP_atom.LennardJones___gt__(self, *args)
4539 
4540  def __str__(self):
4541  """__str__(LennardJones self) -> std::string"""
4542  return _IMP_atom.LennardJones___str__(self)
4543 
4544  def __repr__(self):
4545  """__repr__(LennardJones self) -> std::string"""
4546  return _IMP_atom.LennardJones___repr__(self)
4547 
4548  __swig_destroy__ = _IMP_atom.delete_LennardJones
4549  __del__ = lambda self : None;
4550 LennardJones_swigregister = _IMP_atom.LennardJones_swigregister
4551 LennardJones_swigregister(LennardJones)
4552 
4553 def LennardJones_setup_particle(*args):
4554  """
4555  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> LennardJones
4556  setup_particle(_ParticleAdaptor decorator) -> LennardJones
4557  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Float well_depth) -> LennardJones
4558  LennardJones_setup_particle(_ParticleAdaptor decorator, IMP::Float well_depth) -> LennardJones
4559  """
4560  return _IMP_atom.LennardJones_setup_particle(*args)
4561 
4562 def LennardJones_get_is_setup(*args):
4563  """
4564  get_is_setup(_ParticleAdaptor p) -> bool
4565  LennardJones_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
4566  """
4567  return _IMP_atom.LennardJones_get_is_setup(*args)
4568 
4569 def LennardJones_get_well_depth_key():
4570  """LennardJones_get_well_depth_key() -> FloatKey"""
4571  return _IMP_atom.LennardJones_get_well_depth_key()
4572 
4573 class LennardJonesPairScore(IMP.kernel.PairScore):
4574  """Proxy of C++ IMP::atom::LennardJonesPairScore class"""
4575  __swig_setmethods__ = {}
4576  for _s in [IMP.kernel.PairScore]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
4577  __setattr__ = lambda self, name, value: _swig_setattr(self, LennardJonesPairScore, name, value)
4578  __swig_getmethods__ = {}
4579  for _s in [IMP.kernel.PairScore]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
4580  __getattr__ = lambda self, name: _swig_getattr(self, LennardJonesPairScore, name)
4581  def __init__(self, *args):
4582  """__init__(IMP::atom::LennardJonesPairScore self, SmoothingFunction f) -> LennardJonesPairScore"""
4583  this = _IMP_atom.new_LennardJonesPairScore(*args)
4584  try: self.this.append(this)
4585  except: self.this = this
4586  def set_repulsive_weight(self, *args):
4587  """set_repulsive_weight(LennardJonesPairScore self, double repulsive_weight)"""
4588  return _IMP_atom.LennardJonesPairScore_set_repulsive_weight(self, *args)
4589 
4590  def get_repulsive_weight(self):
4591  """get_repulsive_weight(LennardJonesPairScore self) -> double"""
4592  return _IMP_atom.LennardJonesPairScore_get_repulsive_weight(self)
4593 
4594  def set_attractive_weight(self, *args):
4595  """set_attractive_weight(LennardJonesPairScore self, double attractive_weight)"""
4596  return _IMP_atom.LennardJonesPairScore_set_attractive_weight(self, *args)
4597 
4598  def get_attractive_weight(self):
4599  """get_attractive_weight(LennardJonesPairScore self) -> double"""
4600  return _IMP_atom.LennardJonesPairScore_get_attractive_weight(self)
4601 
4602  def do_get_inputs(self, *args):
4603  """do_get_inputs(LennardJonesPairScore self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
4604  return _IMP_atom.LennardJonesPairScore_do_get_inputs(self, *args)
4605 
4606  def get_version_info(self):
4607  """get_version_info(LennardJonesPairScore self) -> VersionInfo"""
4608  return _IMP_atom.LennardJonesPairScore_get_version_info(self)
4609 
4610  def __str__(self):
4611  """__str__(LennardJonesPairScore self) -> std::string"""
4612  return _IMP_atom.LennardJonesPairScore___str__(self)
4613 
4614  def __repr__(self):
4615  """__repr__(LennardJonesPairScore self) -> std::string"""
4616  return _IMP_atom.LennardJonesPairScore___repr__(self)
4617 
4618  def get_from(o):
4619  return _object_cast_to_LennardJonesPairScore(o)
4620  get_from = staticmethod(get_from)
4621 
4622 LennardJonesPairScore_swigregister = _IMP_atom.LennardJonesPairScore_swigregister
4623 LennardJonesPairScore_swigregister(LennardJonesPairScore)
4624 
4625 class MolecularDynamics(Simulator):
4626  """Proxy of C++ IMP::atom::MolecularDynamics class"""
4627  __swig_setmethods__ = {}
4628  for _s in [Simulator]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
4629  __setattr__ = lambda self, name, value: _swig_setattr(self, MolecularDynamics, name, value)
4630  __swig_getmethods__ = {}
4631  for _s in [Simulator]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
4632  __getattr__ = lambda self, name: _swig_getattr(self, MolecularDynamics, name)
4633  def __init__(self, *args):
4634  """__init__(IMP::atom::MolecularDynamics self, Model m) -> MolecularDynamics"""
4635  this = _IMP_atom.new_MolecularDynamics(*args)
4636  try: self.this.append(this)
4637  except: self.this = this
4638  def get_kinetic_energy(self):
4639  """get_kinetic_energy(MolecularDynamics self) -> IMP::Float"""
4640  return _IMP_atom.MolecularDynamics_get_kinetic_energy(self)
4641 
4642  def get_kinetic_temperature(self, *args):
4643  """get_kinetic_temperature(MolecularDynamics self, IMP::Float ekinetic) -> IMP::Float"""
4644  return _IMP_atom.MolecularDynamics_get_kinetic_temperature(self, *args)
4645 
4646  def set_velocity_cap(self, *args):
4647  """set_velocity_cap(MolecularDynamics self, IMP::Float velocity_cap)"""
4648  return _IMP_atom.MolecularDynamics_set_velocity_cap(self, *args)
4649 
4650  def assign_velocities(self, *args):
4651  """assign_velocities(MolecularDynamics self, IMP::Float temperature)"""
4652  return _IMP_atom.MolecularDynamics_assign_velocities(self, *args)
4653 
4654  def setup(self, *args):
4655  """setup(MolecularDynamics self, IMP::kernel::ParticleIndexes const & ps)"""
4656  return _IMP_atom.MolecularDynamics_setup(self, *args)
4657 
4658  def do_step(self, *args):
4659  """do_step(MolecularDynamics self, IMP::kernel::ParticleIndexes const & sc, double dt) -> double"""
4660  return _IMP_atom.MolecularDynamics_do_step(self, *args)
4661 
4662  def get_is_simulation_particle(self, *args):
4663  """get_is_simulation_particle(MolecularDynamics self, IMP::kernel::ParticleIndex p) -> bool"""
4664  return _IMP_atom.MolecularDynamics_get_is_simulation_particle(self, *args)
4665 
4666  def get_version_info(self):
4667  """get_version_info(MolecularDynamics self) -> VersionInfo"""
4668  return _IMP_atom.MolecularDynamics_get_version_info(self)
4669 
4670  def __str__(self):
4671  """__str__(MolecularDynamics self) -> std::string"""
4672  return _IMP_atom.MolecularDynamics___str__(self)
4673 
4674  def __repr__(self):
4675  """__repr__(MolecularDynamics self) -> std::string"""
4676  return _IMP_atom.MolecularDynamics___repr__(self)
4677 
4678  def get_from(o):
4679  return _object_cast_to_MolecularDynamics(o)
4680  get_from = staticmethod(get_from)
4681 
4682 MolecularDynamics_swigregister = _IMP_atom.MolecularDynamics_swigregister
4683 MolecularDynamics_swigregister(MolecularDynamics)
4684 
4685 class VelocityScalingOptimizerState(IMP.kernel.OptimizerState):
4686  """Proxy of C++ IMP::atom::VelocityScalingOptimizerState class"""
4687  __swig_setmethods__ = {}
4688  for _s in [IMP.kernel.OptimizerState]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
4689  __setattr__ = lambda self, name, value: _swig_setattr(self, VelocityScalingOptimizerState, name, value)
4690  __swig_getmethods__ = {}
4691  for _s in [IMP.kernel.OptimizerState]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
4692  __getattr__ = lambda self, name: _swig_getattr(self, VelocityScalingOptimizerState, name)
4693  def __init__(self, *args):
4694  """__init__(IMP::atom::VelocityScalingOptimizerState self, Model m, _ParticleIndexesAdaptor pis, double temperature) -> VelocityScalingOptimizerState"""
4695  this = _IMP_atom.new_VelocityScalingOptimizerState(*args)
4696  try: self.this.append(this)
4697  except: self.this = this
4698  def set_particles(self, *args):
4699  """set_particles(VelocityScalingOptimizerState self, IMP::kernel::Particles const & pis)"""
4700  return _IMP_atom.VelocityScalingOptimizerState_set_particles(self, *args)
4701 
4702  def set_temperature(self, *args):
4703  """set_temperature(VelocityScalingOptimizerState self, IMP::Float temperature)"""
4704  return _IMP_atom.VelocityScalingOptimizerState_set_temperature(self, *args)
4705 
4706  def rescale_velocities(self):
4707  """rescale_velocities(VelocityScalingOptimizerState self)"""
4708  return _IMP_atom.VelocityScalingOptimizerState_rescale_velocities(self)
4709 
4710  def get_version_info(self):
4711  """get_version_info(VelocityScalingOptimizerState self) -> VersionInfo"""
4712  return _IMP_atom.VelocityScalingOptimizerState_get_version_info(self)
4713 
4714  def __str__(self):
4715  """__str__(VelocityScalingOptimizerState self) -> std::string"""
4716  return _IMP_atom.VelocityScalingOptimizerState___str__(self)
4717 
4718  def __repr__(self):
4719  """__repr__(VelocityScalingOptimizerState self) -> std::string"""
4720  return _IMP_atom.VelocityScalingOptimizerState___repr__(self)
4721 
4722  def get_from(o):
4723  return _object_cast_to_VelocityScalingOptimizerState(o)
4724  get_from = staticmethod(get_from)
4725 
4726 VelocityScalingOptimizerState_swigregister = _IMP_atom.VelocityScalingOptimizerState_swigregister
4727 VelocityScalingOptimizerState_swigregister(VelocityScalingOptimizerState)
4728 
4729 class Fragment(Hierarchy):
4730  """Proxy of C++ IMP::atom::Fragment class"""
4731  __swig_setmethods__ = {}
4732  for _s in [Hierarchy]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
4733  __setattr__ = lambda self, name, value: _swig_setattr(self, Fragment, name, value)
4734  __swig_getmethods__ = {}
4735  for _s in [Hierarchy]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
4736  __getattr__ = lambda self, name: _swig_getattr(self, Fragment, name)
4737  def set_residue_indexes(self, *args):
4738  """set_residue_indexes(Fragment self, IMP::Ints o)"""
4739  return _IMP_atom.Fragment_set_residue_indexes(self, *args)
4740 
4741  def get_residue_indexes(self):
4742  """get_residue_indexes(Fragment self) -> IMP::Ints"""
4743  return _IMP_atom.Fragment_get_residue_indexes(self)
4744 
4745  def get_contains_residue(self, *args):
4746  """get_contains_residue(Fragment self, int rindex) -> bool"""
4747  return _IMP_atom.Fragment_get_contains_residue(self, *args)
4748 
4749  def __init__(self, *args):
4750  """
4751  __init__(IMP::atom::Fragment self) -> Fragment
4752  __init__(IMP::atom::Fragment self, Model m, ::IMP::kernel::ParticleIndex id) -> Fragment
4753  __init__(IMP::atom::Fragment self, _ParticleAdaptor d) -> Fragment
4754  """
4755  this = _IMP_atom.new_Fragment(*args)
4756  try: self.this.append(this)
4757  except: self.this = this
4758  def get_is_setup(*args):
4759  """
4760  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
4761  get_is_setup(_ParticleAdaptor p) -> bool
4762  """
4763  return _IMP_atom.Fragment_get_is_setup(*args)
4764 
4765  if _newclass:get_is_setup = staticmethod(get_is_setup)
4766  __swig_getmethods__["get_is_setup"] = lambda x: get_is_setup
4767  def show(self, *args):
4768  """
4769  show(Fragment self, _ostream out=std::cout)
4770  show(Fragment self)
4771  """
4772  return _IMP_atom.Fragment_show(self, *args)
4773 
4774  def setup_particle(*args):
4775  """
4776  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> Fragment
4777  setup_particle(_ParticleAdaptor decorator) -> Fragment
4778  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Fragment other) -> Fragment
4779  setup_particle(_ParticleAdaptor decorator, Fragment other) -> Fragment
4780  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Ints residue_indexes) -> Fragment
4781  setup_particle(_ParticleAdaptor decorator, IMP::Ints residue_indexes) -> Fragment
4782  """
4783  return _IMP_atom.Fragment_setup_particle(*args)
4784 
4785  if _newclass:setup_particle = staticmethod(setup_particle)
4786  __swig_getmethods__["setup_particle"] = lambda x: setup_particle
4787  def add_attribute(self, *args):
4788  """
4789  add_attribute(Fragment self, FloatKey k, IMP::Float v, bool opt)
4790  add_attribute(Fragment self, FloatKey a0, IMP::Float a1)
4791  add_attribute(Fragment self, IntKey a0, IMP::Int a1)
4792  add_attribute(Fragment self, StringKey a0, IMP::String a1)
4793  add_attribute(Fragment self, ParticleIndexKey a0, Particle a1)
4794  add_attribute(Fragment self, ObjectKey a0, Object a1)
4795  """
4796  return _IMP_atom.Fragment_add_attribute(self, *args)
4797 
4798  def get_value(self, *args):
4799  """
4800  get_value(Fragment self, FloatKey a0) -> IMP::Float
4801  get_value(Fragment self, IntKey a0) -> IMP::Int
4802  get_value(Fragment self, StringKey a0) -> IMP::String
4803  get_value(Fragment self, ParticleIndexKey a0) -> Particle
4804  get_value(Fragment self, ObjectKey a0) -> Object
4805  """
4806  return _IMP_atom.Fragment_get_value(self, *args)
4807 
4808  def set_value(self, *args):
4809  """
4810  set_value(Fragment self, FloatKey a0, IMP::Float a1)
4811  set_value(Fragment self, IntKey a0, IMP::Int a1)
4812  set_value(Fragment self, StringKey a0, IMP::String a1)
4813  set_value(Fragment self, ParticleIndexKey a0, Particle a1)
4814  set_value(Fragment self, ObjectKey a0, Object a1)
4815  """
4816  return _IMP_atom.Fragment_set_value(self, *args)
4817 
4818  def remove_attribute(self, *args):
4819  """
4820  remove_attribute(Fragment self, FloatKey a0)
4821  remove_attribute(Fragment self, IntKey a0)
4822  remove_attribute(Fragment self, StringKey a0)
4823  remove_attribute(Fragment self, ParticleIndexKey a0)
4824  remove_attribute(Fragment self, ObjectKey a0)
4825  """
4826  return _IMP_atom.Fragment_remove_attribute(self, *args)
4827 
4828  def has_attribute(self, *args):
4829  """
4830  has_attribute(Fragment self, FloatKey a0) -> bool
4831  has_attribute(Fragment self, IntKey a0) -> bool
4832  has_attribute(Fragment self, StringKey a0) -> bool
4833  has_attribute(Fragment self, ParticleIndexKey a0) -> bool
4834  has_attribute(Fragment self, ObjectKey a0) -> bool
4835  """
4836  return _IMP_atom.Fragment_has_attribute(self, *args)
4837 
4838  def get_derivative(self, *args):
4839  """get_derivative(Fragment self, FloatKey a0) -> double"""
4840  return _IMP_atom.Fragment_get_derivative(self, *args)
4841 
4842  def get_name(self):
4843  """get_name(Fragment self) -> std::string"""
4844  return _IMP_atom.Fragment_get_name(self)
4845 
4846  def clear_caches(self):
4847  """clear_caches(Fragment self)"""
4848  return _IMP_atom.Fragment_clear_caches(self)
4849 
4850  def set_name(self, *args):
4851  """set_name(Fragment self, std::string a0)"""
4852  return _IMP_atom.Fragment_set_name(self, *args)
4853 
4854  def set_check_level(self, *args):
4855  """set_check_level(Fragment self, IMP::base::CheckLevel a0)"""
4856  return _IMP_atom.Fragment_set_check_level(self, *args)
4857 
4858  def add_to_derivative(self, *args):
4859  """add_to_derivative(Fragment self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4860  return _IMP_atom.Fragment_add_to_derivative(self, *args)
4861 
4862  def set_is_optimized(self, *args):
4863  """set_is_optimized(Fragment self, FloatKey a0, bool a1)"""
4864  return _IMP_atom.Fragment_set_is_optimized(self, *args)
4865 
4866  def get_is_optimized(self, *args):
4867  """get_is_optimized(Fragment self, FloatKey a0) -> bool"""
4868  return _IMP_atom.Fragment_get_is_optimized(self, *args)
4869 
4870  def get_check_level(self):
4871  """get_check_level(Fragment self) -> IMP::base::CheckLevel"""
4872  return _IMP_atom.Fragment_get_check_level(self)
4873 
4874  def __eq__(self, *args):
4875  """
4876  __eq__(Fragment self, Fragment o) -> bool
4877  __eq__(Fragment self, Particle d) -> bool
4878  """
4879  return _IMP_atom.Fragment___eq__(self, *args)
4880 
4881  def __ne__(self, *args):
4882  """
4883  __ne__(Fragment self, Fragment o) -> bool
4884  __ne__(Fragment self, Particle d) -> bool
4885  """
4886  return _IMP_atom.Fragment___ne__(self, *args)
4887 
4888  def __le__(self, *args):
4889  """
4890  __le__(Fragment self, Fragment o) -> bool
4891  __le__(Fragment self, Particle d) -> bool
4892  """
4893  return _IMP_atom.Fragment___le__(self, *args)
4894 
4895  def __lt__(self, *args):
4896  """
4897  __lt__(Fragment self, Fragment o) -> bool
4898  __lt__(Fragment self, Particle d) -> bool
4899  """
4900  return _IMP_atom.Fragment___lt__(self, *args)
4901 
4902  def __ge__(self, *args):
4903  """
4904  __ge__(Fragment self, Fragment o) -> bool
4905  __ge__(Fragment self, Particle d) -> bool
4906  """
4907  return _IMP_atom.Fragment___ge__(self, *args)
4908 
4909  def __gt__(self, *args):
4910  """
4911  __gt__(Fragment self, Fragment o) -> bool
4912  __gt__(Fragment self, Particle d) -> bool
4913  """
4914  return _IMP_atom.Fragment___gt__(self, *args)
4915 
4916  def __str__(self):
4917  """__str__(Fragment self) -> std::string"""
4918  return _IMP_atom.Fragment___str__(self)
4919 
4920  def __repr__(self):
4921  """__repr__(Fragment self) -> std::string"""
4922  return _IMP_atom.Fragment___repr__(self)
4923 
4924  __swig_destroy__ = _IMP_atom.delete_Fragment
4925  __del__ = lambda self : None;
4926 Fragment_swigregister = _IMP_atom.Fragment_swigregister
4927 Fragment_swigregister(Fragment)
4928 
4929 def Fragment_get_is_setup(*args):
4930  """
4931  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
4932  Fragment_get_is_setup(_ParticleAdaptor p) -> bool
4933  """
4934  return _IMP_atom.Fragment_get_is_setup(*args)
4935 
4936 def Fragment_setup_particle(*args):
4937  """
4938  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> Fragment
4939  setup_particle(_ParticleAdaptor decorator) -> Fragment
4940  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Fragment other) -> Fragment
4941  setup_particle(_ParticleAdaptor decorator, Fragment other) -> Fragment
4942  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Ints residue_indexes) -> Fragment
4943  Fragment_setup_particle(_ParticleAdaptor decorator, IMP::Ints residue_indexes) -> Fragment
4944  """
4945  return _IMP_atom.Fragment_setup_particle(*args)
4946 
4947 class StereochemistryPairFilter(IMP.kernel.PairPredicate):
4948  """Proxy of C++ IMP::atom::StereochemistryPairFilter class"""
4949  __swig_setmethods__ = {}
4950  for _s in [IMP.kernel.PairPredicate]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
4951  __setattr__ = lambda self, name, value: _swig_setattr(self, StereochemistryPairFilter, name, value)
4952  __swig_getmethods__ = {}
4953  for _s in [IMP.kernel.PairPredicate]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
4954  __getattr__ = lambda self, name: _swig_getattr(self, StereochemistryPairFilter, name)
4955  def __init__(self):
4956  """__init__(IMP::atom::StereochemistryPairFilter self) -> StereochemistryPairFilter"""
4957  this = _IMP_atom.new_StereochemistryPairFilter()
4958  try: self.this.append(this)
4959  except: self.this = this
4960  def set_bonds(self, *args):
4961  """set_bonds(StereochemistryPairFilter self, IMP::kernel::Particles const & bonds)"""
4962  return _IMP_atom.StereochemistryPairFilter_set_bonds(self, *args)
4963 
4964  def set_angles(self, *args):
4965  """set_angles(StereochemistryPairFilter self, IMP::kernel::Particles const & angles)"""
4966  return _IMP_atom.StereochemistryPairFilter_set_angles(self, *args)
4967 
4968  def set_dihedrals(self, *args):
4969  """set_dihedrals(StereochemistryPairFilter self, IMP::kernel::Particles const & dihedrals)"""
4970  return _IMP_atom.StereochemistryPairFilter_set_dihedrals(self, *args)
4971 
4972  def do_get_inputs(self, *args):
4973  """do_get_inputs(StereochemistryPairFilter self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
4974  return _IMP_atom.StereochemistryPairFilter_do_get_inputs(self, *args)
4975 
4976  def get_value(self, *args):
4977  """
4978  get_value(StereochemistryPairFilter self, IMP::kernel::ParticlePair const & a) -> int
4979  get_value(StereochemistryPairFilter self, IMP::kernel::ParticlePairsTemp const & o) -> IMP::Ints
4980  """
4981  return _IMP_atom.StereochemistryPairFilter_get_value(self, *args)
4982 
4983  def get_value_index(self, *args):
4984  """
4985  get_value_index(StereochemistryPairFilter self, Model m, IMP::kernel::ParticleIndexPair const & p) -> int
4986  get_value_index(StereochemistryPairFilter self, Model m, IMP::kernel::ParticleIndexPairs const & o) -> IMP::Ints
4987  """
4988  return _IMP_atom.StereochemistryPairFilter_get_value_index(self, *args)
4989 
4990  def get_version_info(self):
4991  """get_version_info(StereochemistryPairFilter self) -> VersionInfo"""
4992  return _IMP_atom.StereochemistryPairFilter_get_version_info(self)
4993 
4994  def __str__(self):
4995  """__str__(StereochemistryPairFilter self) -> std::string"""
4996  return _IMP_atom.StereochemistryPairFilter___str__(self)
4997 
4998  def __repr__(self):
4999  """__repr__(StereochemistryPairFilter self) -> std::string"""
5000  return _IMP_atom.StereochemistryPairFilter___repr__(self)
5001 
5002  def get_from(o):
5003  return _object_cast_to_StereochemistryPairFilter(o)
5004  get_from = staticmethod(get_from)
5005 
5006 StereochemistryPairFilter_swigregister = _IMP_atom.StereochemistryPairFilter_swigregister
5007 StereochemistryPairFilter_swigregister(StereochemistryPairFilter)
5008 
5009 class SoapPairFilter(IMP.kernel.PairPredicate):
5010  """Proxy of C++ IMP::atom::SoapPairFilter class"""
5011  __swig_setmethods__ = {}
5012  for _s in [IMP.kernel.PairPredicate]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
5013  __setattr__ = lambda self, name, value: _swig_setattr(self, SoapPairFilter, name, value)
5014  __swig_getmethods__ = {}
5015  for _s in [IMP.kernel.PairPredicate]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
5016  __getattr__ = lambda self, name: _swig_getattr(self, SoapPairFilter, name)
5017  def __init__(self, *args):
5018  """__init__(IMP::atom::SoapPairFilter self, std::string library) -> SoapPairFilter"""
5019  this = _IMP_atom.new_SoapPairFilter(*args)
5020  try: self.this.append(this)
5021  except: self.this = this
5022  def do_get_inputs(self, *args):
5023  """do_get_inputs(SoapPairFilter self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
5024  return _IMP_atom.SoapPairFilter_do_get_inputs(self, *args)
5025 
5026  def get_value(self, *args):
5027  """
5028  get_value(SoapPairFilter self, IMP::kernel::ParticlePair const & a) -> int
5029  get_value(SoapPairFilter self, IMP::kernel::ParticlePairsTemp const & o) -> IMP::Ints
5030  """
5031  return _IMP_atom.SoapPairFilter_get_value(self, *args)
5032 
5033  def get_value_index(self, *args):
5034  """
5035  get_value_index(SoapPairFilter self, Model m, IMP::kernel::ParticleIndexPair const & p) -> int
5036  get_value_index(SoapPairFilter self, Model m, IMP::kernel::ParticleIndexPairs const & o) -> IMP::Ints
5037  """
5038  return _IMP_atom.SoapPairFilter_get_value_index(self, *args)
5039 
5040  def get_version_info(self):
5041  """get_version_info(SoapPairFilter self) -> VersionInfo"""
5042  return _IMP_atom.SoapPairFilter_get_version_info(self)
5043 
5044  def __str__(self):
5045  """__str__(SoapPairFilter self) -> std::string"""
5046  return _IMP_atom.SoapPairFilter___str__(self)
5047 
5048  def __repr__(self):
5049  """__repr__(SoapPairFilter self) -> std::string"""
5050  return _IMP_atom.SoapPairFilter___repr__(self)
5051 
5052  def get_from(o):
5053  return _object_cast_to_SoapPairFilter(o)
5054  get_from = staticmethod(get_from)
5055 
5056 SoapPairFilter_swigregister = _IMP_atom.SoapPairFilter_swigregister
5057 SoapPairFilter_swigregister(SoapPairFilter)
5058 
5059 class Mass(IMP.kernel.Decorator):
5060  """Proxy of C++ IMP::atom::Mass class"""
5061  __swig_setmethods__ = {}
5062  for _s in [IMP.kernel.Decorator]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
5063  __setattr__ = lambda self, name, value: _swig_setattr(self, Mass, name, value)
5064  __swig_getmethods__ = {}
5065  for _s in [IMP.kernel.Decorator]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
5066  __getattr__ = lambda self, name: _swig_getattr(self, Mass, name)
5067  def get_mass(self):
5068  """get_mass(Mass self) -> IMP::Float"""
5069  return _IMP_atom.Mass_get_mass(self)
5070 
5071  def set_mass(self, *args):
5072  """set_mass(Mass self, IMP::Float d)"""
5073  return _IMP_atom.Mass_set_mass(self, *args)
5074 
5075  def __init__(self, *args):
5076  """
5077  __init__(IMP::atom::Mass self) -> Mass
5078  __init__(IMP::atom::Mass self, Model m, ::IMP::kernel::ParticleIndex id) -> Mass
5079  __init__(IMP::atom::Mass self, _ParticleAdaptor d) -> Mass
5080  """
5081  this = _IMP_atom.new_Mass(*args)
5082  try: self.this.append(this)
5083  except: self.this = this
5084  def get_is_setup(*args):
5085  """
5086  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
5087  get_is_setup(_ParticleAdaptor p) -> bool
5088  """
5089  return _IMP_atom.Mass_get_is_setup(*args)
5090 
5091  if _newclass:get_is_setup = staticmethod(get_is_setup)
5092  __swig_getmethods__["get_is_setup"] = lambda x: get_is_setup
5093  def show(self, *args):
5094  """
5095  show(Mass self, _ostream out=std::cout)
5096  show(Mass self)
5097  """
5098  return _IMP_atom.Mass_show(self, *args)
5099 
5100  def setup_particle(*args):
5101  """
5102  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Float mass) -> Mass
5103  setup_particle(_ParticleAdaptor decorator, IMP::Float mass) -> Mass
5104  """
5105  return _IMP_atom.Mass_setup_particle(*args)
5106 
5107  if _newclass:setup_particle = staticmethod(setup_particle)
5108  __swig_getmethods__["setup_particle"] = lambda x: setup_particle
5109  def get_mass_key():
5110  """get_mass_key() -> FloatKey"""
5111  return _IMP_atom.Mass_get_mass_key()
5112 
5113  if _newclass:get_mass_key = staticmethod(get_mass_key)
5114  __swig_getmethods__["get_mass_key"] = lambda x: get_mass_key
5115  def add_attribute(self, *args):
5116  """
5117  add_attribute(Mass self, FloatKey k, IMP::Float v, bool opt)
5118  add_attribute(Mass self, FloatKey a0, IMP::Float a1)
5119  add_attribute(Mass self, IntKey a0, IMP::Int a1)
5120  add_attribute(Mass self, StringKey a0, IMP::String a1)
5121  add_attribute(Mass self, ParticleIndexKey a0, Particle a1)
5122  add_attribute(Mass self, ObjectKey a0, Object a1)
5123  """
5124  return _IMP_atom.Mass_add_attribute(self, *args)
5125 
5126  def get_value(self, *args):
5127  """
5128  get_value(Mass self, FloatKey a0) -> IMP::Float
5129  get_value(Mass self, IntKey a0) -> IMP::Int
5130  get_value(Mass self, StringKey a0) -> IMP::String
5131  get_value(Mass self, ParticleIndexKey a0) -> Particle
5132  get_value(Mass self, ObjectKey a0) -> Object
5133  """
5134  return _IMP_atom.Mass_get_value(self, *args)
5135 
5136  def set_value(self, *args):
5137  """
5138  set_value(Mass self, FloatKey a0, IMP::Float a1)
5139  set_value(Mass self, IntKey a0, IMP::Int a1)
5140  set_value(Mass self, StringKey a0, IMP::String a1)
5141  set_value(Mass self, ParticleIndexKey a0, Particle a1)
5142  set_value(Mass self, ObjectKey a0, Object a1)
5143  """
5144  return _IMP_atom.Mass_set_value(self, *args)
5145 
5146  def remove_attribute(self, *args):
5147  """
5148  remove_attribute(Mass self, FloatKey a0)
5149  remove_attribute(Mass self, IntKey a0)
5150  remove_attribute(Mass self, StringKey a0)
5151  remove_attribute(Mass self, ParticleIndexKey a0)
5152  remove_attribute(Mass self, ObjectKey a0)
5153  """
5154  return _IMP_atom.Mass_remove_attribute(self, *args)
5155 
5156  def has_attribute(self, *args):
5157  """
5158  has_attribute(Mass self, FloatKey a0) -> bool
5159  has_attribute(Mass self, IntKey a0) -> bool
5160  has_attribute(Mass self, StringKey a0) -> bool
5161  has_attribute(Mass self, ParticleIndexKey a0) -> bool
5162  has_attribute(Mass self, ObjectKey a0) -> bool
5163  """
5164  return _IMP_atom.Mass_has_attribute(self, *args)
5165 
5166  def get_derivative(self, *args):
5167  """get_derivative(Mass self, FloatKey a0) -> double"""
5168  return _IMP_atom.Mass_get_derivative(self, *args)
5169 
5170  def get_name(self):
5171  """get_name(Mass self) -> std::string"""
5172  return _IMP_atom.Mass_get_name(self)
5173 
5174  def clear_caches(self):
5175  """clear_caches(Mass self)"""
5176  return _IMP_atom.Mass_clear_caches(self)
5177 
5178  def set_name(self, *args):
5179  """set_name(Mass self, std::string a0)"""
5180  return _IMP_atom.Mass_set_name(self, *args)
5181 
5182  def set_check_level(self, *args):
5183  """set_check_level(Mass self, IMP::base::CheckLevel a0)"""
5184  return _IMP_atom.Mass_set_check_level(self, *args)
5185 
5186  def add_to_derivative(self, *args):
5187  """add_to_derivative(Mass self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5188  return _IMP_atom.Mass_add_to_derivative(self, *args)
5189 
5190  def set_is_optimized(self, *args):
5191  """set_is_optimized(Mass self, FloatKey a0, bool a1)"""
5192  return _IMP_atom.Mass_set_is_optimized(self, *args)
5193 
5194  def get_is_optimized(self, *args):
5195  """get_is_optimized(Mass self, FloatKey a0) -> bool"""
5196  return _IMP_atom.Mass_get_is_optimized(self, *args)
5197 
5198  def get_check_level(self):
5199  """get_check_level(Mass self) -> IMP::base::CheckLevel"""
5200  return _IMP_atom.Mass_get_check_level(self)
5201 
5202  def __eq__(self, *args):
5203  """
5204  __eq__(Mass self, Mass o) -> bool
5205  __eq__(Mass self, Particle d) -> bool
5206  """
5207  return _IMP_atom.Mass___eq__(self, *args)
5208 
5209  def __ne__(self, *args):
5210  """
5211  __ne__(Mass self, Mass o) -> bool
5212  __ne__(Mass self, Particle d) -> bool
5213  """
5214  return _IMP_atom.Mass___ne__(self, *args)
5215 
5216  def __le__(self, *args):
5217  """
5218  __le__(Mass self, Mass o) -> bool
5219  __le__(Mass self, Particle d) -> bool
5220  """
5221  return _IMP_atom.Mass___le__(self, *args)
5222 
5223  def __lt__(self, *args):
5224  """
5225  __lt__(Mass self, Mass o) -> bool
5226  __lt__(Mass self, Particle d) -> bool
5227  """
5228  return _IMP_atom.Mass___lt__(self, *args)
5229 
5230  def __ge__(self, *args):
5231  """
5232  __ge__(Mass self, Mass o) -> bool
5233  __ge__(Mass self, Particle d) -> bool
5234  """
5235  return _IMP_atom.Mass___ge__(self, *args)
5236 
5237  def __gt__(self, *args):
5238  """
5239  __gt__(Mass self, Mass o) -> bool
5240  __gt__(Mass self, Particle d) -> bool
5241  """
5242  return _IMP_atom.Mass___gt__(self, *args)
5243 
5244  def __str__(self):
5245  """__str__(Mass self) -> std::string"""
5246  return _IMP_atom.Mass___str__(self)
5247 
5248  def __repr__(self):
5249  """__repr__(Mass self) -> std::string"""
5250  return _IMP_atom.Mass___repr__(self)
5251 
5252  __swig_destroy__ = _IMP_atom.delete_Mass
5253  __del__ = lambda self : None;
5254 Mass_swigregister = _IMP_atom.Mass_swigregister
5255 Mass_swigregister(Mass)
5256 
5257 def Mass_get_is_setup(*args):
5258  """
5259  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
5260  Mass_get_is_setup(_ParticleAdaptor p) -> bool
5261  """
5262  return _IMP_atom.Mass_get_is_setup(*args)
5263 
5264 def Mass_setup_particle(*args):
5265  """
5266  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Float mass) -> Mass
5267  Mass_setup_particle(_ParticleAdaptor decorator, IMP::Float mass) -> Mass
5268  """
5269  return _IMP_atom.Mass_setup_particle(*args)
5270 
5271 def Mass_get_mass_key():
5272  """Mass_get_mass_key() -> FloatKey"""
5273  return _IMP_atom.Mass_get_mass_key()
5274 
5275 class BondedPairFilter(IMP.kernel.PairPredicate):
5276  """Proxy of C++ IMP::atom::BondedPairFilter class"""
5277  __swig_setmethods__ = {}
5278  for _s in [IMP.kernel.PairPredicate]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
5279  __setattr__ = lambda self, name, value: _swig_setattr(self, BondedPairFilter, name, value)
5280  __swig_getmethods__ = {}
5281  for _s in [IMP.kernel.PairPredicate]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
5282  __getattr__ = lambda self, name: _swig_getattr(self, BondedPairFilter, name)
5283  def __init__(self):
5284  """__init__(IMP::atom::BondedPairFilter self) -> BondedPairFilter"""
5285  this = _IMP_atom.new_BondedPairFilter()
5286  try: self.this.append(this)
5287  except: self.this = this
5288  def do_get_inputs(self, *args):
5289  """do_get_inputs(BondedPairFilter self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
5290  return _IMP_atom.BondedPairFilter_do_get_inputs(self, *args)
5291 
5292  def get_value(self, *args):
5293  """
5294  get_value(BondedPairFilter self, IMP::kernel::ParticlePair const & a) -> int
5295  get_value(BondedPairFilter self, IMP::kernel::ParticlePairsTemp const & o) -> IMP::Ints
5296  """
5297  return _IMP_atom.BondedPairFilter_get_value(self, *args)
5298 
5299  def get_value_index(self, *args):
5300  """
5301  get_value_index(BondedPairFilter self, Model m, IMP::kernel::ParticleIndexPair const & p) -> int
5302  get_value_index(BondedPairFilter self, Model m, IMP::kernel::ParticleIndexPairs const & o) -> IMP::Ints
5303  """
5304  return _IMP_atom.BondedPairFilter_get_value_index(self, *args)
5305 
5306  def get_version_info(self):
5307  """get_version_info(BondedPairFilter self) -> VersionInfo"""
5308  return _IMP_atom.BondedPairFilter_get_version_info(self)
5309 
5310  def __str__(self):
5311  """__str__(BondedPairFilter self) -> std::string"""
5312  return _IMP_atom.BondedPairFilter___str__(self)
5313 
5314  def __repr__(self):
5315  """__repr__(BondedPairFilter self) -> std::string"""
5316  return _IMP_atom.BondedPairFilter___repr__(self)
5317 
5318  def get_from(o):
5319  return _object_cast_to_BondedPairFilter(o)
5320  get_from = staticmethod(get_from)
5321 
5322 BondedPairFilter_swigregister = _IMP_atom.BondedPairFilter_swigregister
5323 BondedPairFilter_swigregister(BondedPairFilter)
5324 
5325 class Mol2Selector(IMP.base.Object):
5326  """Proxy of C++ IMP::atom::Mol2Selector class"""
5327  __swig_setmethods__ = {}
5328  for _s in [IMP.base.Object]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
5329  __setattr__ = lambda self, name, value: _swig_setattr(self, Mol2Selector, name, value)
5330  __swig_getmethods__ = {}
5331  for _s in [IMP.base.Object]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
5332  __getattr__ = lambda self, name: _swig_getattr(self, Mol2Selector, name)
5333  def __init__(self, *args, **kwargs): raise AttributeError("No constructor defined - class is abstract")
5334  def get_is_selected(self, *args):
5335  """get_is_selected(Mol2Selector self, std::string const & atom_line) -> bool"""
5336  return _IMP_atom.Mol2Selector_get_is_selected(self, *args)
5337 
5338  __swig_destroy__ = _IMP_atom.delete_Mol2Selector
5339  __del__ = lambda self : None;
5340  def __str__(self):
5341  """__str__(Mol2Selector self) -> std::string"""
5342  return _IMP_atom.Mol2Selector___str__(self)
5343 
5344  def __repr__(self):
5345  """__repr__(Mol2Selector self) -> std::string"""
5346  return _IMP_atom.Mol2Selector___repr__(self)
5347 
5348  def get_from(o):
5349  return _object_cast_to_Mol2Selector(o)
5350  get_from = staticmethod(get_from)
5351 
5352 Mol2Selector_swigregister = _IMP_atom.Mol2Selector_swigregister
5353 Mol2Selector_swigregister(Mol2Selector)
5354 
5355 class AllMol2Selector(Mol2Selector):
5356  """Proxy of C++ IMP::atom::AllMol2Selector class"""
5357  __swig_setmethods__ = {}
5358  for _s in [Mol2Selector]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
5359  __setattr__ = lambda self, name, value: _swig_setattr(self, AllMol2Selector, name, value)
5360  __swig_getmethods__ = {}
5361  for _s in [Mol2Selector]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
5362  __getattr__ = lambda self, name: _swig_getattr(self, AllMol2Selector, name)
5363  def get_version_info(self):
5364  """get_version_info(AllMol2Selector self) -> VersionInfo"""
5365  return _IMP_atom.AllMol2Selector_get_version_info(self)
5366 
5367  def __str__(self):
5368  """__str__(AllMol2Selector self) -> std::string"""
5369  return _IMP_atom.AllMol2Selector___str__(self)
5370 
5371  def __repr__(self):
5372  """__repr__(AllMol2Selector self) -> std::string"""
5373  return _IMP_atom.AllMol2Selector___repr__(self)
5374 
5375  def get_from(o):
5376  return _object_cast_to_AllMol2Selector(o)
5377  get_from = staticmethod(get_from)
5378 
5379  def __init__(self):
5380  """__init__(IMP::atom::AllMol2Selector self) -> AllMol2Selector"""
5381  this = _IMP_atom.new_AllMol2Selector()
5382  try: self.this.append(this)
5383  except: self.this = this
5384 AllMol2Selector_swigregister = _IMP_atom.AllMol2Selector_swigregister
5385 AllMol2Selector_swigregister(AllMol2Selector)
5386 
5387 class NonHydrogenMol2Selector(Mol2Selector):
5388  """Proxy of C++ IMP::atom::NonHydrogenMol2Selector class"""
5389  __swig_setmethods__ = {}
5390  for _s in [Mol2Selector]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
5391  __setattr__ = lambda self, name, value: _swig_setattr(self, NonHydrogenMol2Selector, name, value)
5392  __swig_getmethods__ = {}
5393  for _s in [Mol2Selector]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
5394  __getattr__ = lambda self, name: _swig_getattr(self, NonHydrogenMol2Selector, name)
5395  def get_version_info(self):
5396  """get_version_info(NonHydrogenMol2Selector self) -> VersionInfo"""
5397  return _IMP_atom.NonHydrogenMol2Selector_get_version_info(self)
5398 
5399  def __str__(self):
5400  """__str__(NonHydrogenMol2Selector self) -> std::string"""
5401  return _IMP_atom.NonHydrogenMol2Selector___str__(self)
5402 
5403  def __repr__(self):
5404  """__repr__(NonHydrogenMol2Selector self) -> std::string"""
5405  return _IMP_atom.NonHydrogenMol2Selector___repr__(self)
5406 
5407  def get_from(o):
5408  return _object_cast_to_NonHydrogenMol2Selector(o)
5409  get_from = staticmethod(get_from)
5410 
5411  def __init__(self):
5412  """__init__(IMP::atom::NonHydrogenMol2Selector self) -> NonHydrogenMol2Selector"""
5413  this = _IMP_atom.new_NonHydrogenMol2Selector()
5414  try: self.this.append(this)
5415  except: self.this = this
5416 NonHydrogenMol2Selector_swigregister = _IMP_atom.NonHydrogenMol2Selector_swigregister
5417 NonHydrogenMol2Selector_swigregister(NonHydrogenMol2Selector)
5418 
5419 
5420 def read_mol2(*args):
5421  """
5422  read_mol2(TextInput mol2_file, Model model, Mol2Selector mol2sel=None) -> Hierarchy
5423  read_mol2(TextInput mol2_file, Model model) -> Hierarchy
5424  """
5425  return _IMP_atom.read_mol2(*args)
5426 
5427 def write_mol2(*args):
5428  """write_mol2(Hierarchy rhd, TextOutput file_name)"""
5429  return _IMP_atom.write_mol2(*args)
5430 class SecondaryStructureResidue(IMP.kernel.Decorator):
5431  """Proxy of C++ IMP::atom::SecondaryStructureResidue class"""
5432  __swig_setmethods__ = {}
5433  for _s in [IMP.kernel.Decorator]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
5434  __setattr__ = lambda self, name, value: _swig_setattr(self, SecondaryStructureResidue, name, value)
5435  __swig_getmethods__ = {}
5436  for _s in [IMP.kernel.Decorator]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
5437  __getattr__ = lambda self, name: _swig_getattr(self, SecondaryStructureResidue, name)
5438  def __init__(self, *args):
5439  """
5440  __init__(IMP::atom::SecondaryStructureResidue self) -> SecondaryStructureResidue
5441  __init__(IMP::atom::SecondaryStructureResidue self, Model m, ::IMP::kernel::ParticleIndex id) -> SecondaryStructureResidue
5442  __init__(IMP::atom::SecondaryStructureResidue self, _ParticleAdaptor d) -> SecondaryStructureResidue
5443  """
5444  this = _IMP_atom.new_SecondaryStructureResidue(*args)
5445  try: self.this.append(this)
5446  except: self.this = this
5447  def show(self, *args):
5448  """
5449  show(SecondaryStructureResidue self, _ostream out=std::cout)
5450  show(SecondaryStructureResidue self)
5451  """
5452  return _IMP_atom.SecondaryStructureResidue_show(self, *args)
5453 
5454  def setup_particle(*args):
5455  """
5456  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Float prob_helix, IMP::Float prob_strand,
5457  IMP::Float prob_coil) -> SecondaryStructureResidue
5458  setup_particle(_ParticleAdaptor decorator, IMP::Float prob_helix, IMP::Float prob_strand, IMP::Float prob_coil) -> SecondaryStructureResidue
5459  setup_particle(Particle res_p) -> SecondaryStructureResidue
5460  """
5461  return _IMP_atom.SecondaryStructureResidue_setup_particle(*args)
5462 
5463  if _newclass:setup_particle = staticmethod(setup_particle)
5464  __swig_getmethods__["setup_particle"] = lambda x: setup_particle
5465  def get_is_setup(*args):
5466  """
5467  get_is_setup(_ParticleAdaptor p) -> bool
5468  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
5469  """
5470  return _IMP_atom.SecondaryStructureResidue_get_is_setup(*args)
5471 
5472  if _newclass:get_is_setup = staticmethod(get_is_setup)
5473  __swig_getmethods__["get_is_setup"] = lambda x: get_is_setup
5474  def get_particle(self):
5475  """get_particle(SecondaryStructureResidue self) -> Particle"""
5476  return _IMP_atom.SecondaryStructureResidue_get_particle(self)
5477 
5478  def get_all_probabilities(self):
5479  """get_all_probabilities(SecondaryStructureResidue self) -> IMP::Floats"""
5480  return _IMP_atom.SecondaryStructureResidue_get_all_probabilities(self)
5481 
5482  def get_prob_helix(self):
5483  """get_prob_helix(SecondaryStructureResidue self) -> IMP::Float"""
5484  return _IMP_atom.SecondaryStructureResidue_get_prob_helix(self)
5485 
5486  def set_prob_helix(self, *args):
5487  """set_prob_helix(SecondaryStructureResidue self, IMP::Float t)"""
5488  return _IMP_atom.SecondaryStructureResidue_set_prob_helix(self, *args)
5489 
5490  def get_prob_strand(self):
5491  """get_prob_strand(SecondaryStructureResidue self) -> IMP::Float"""
5492  return _IMP_atom.SecondaryStructureResidue_get_prob_strand(self)
5493 
5494  def set_prob_strand(self, *args):
5495  """set_prob_strand(SecondaryStructureResidue self, IMP::Float t)"""
5496  return _IMP_atom.SecondaryStructureResidue_set_prob_strand(self, *args)
5497 
5498  def get_prob_coil(self):
5499  """get_prob_coil(SecondaryStructureResidue self) -> IMP::Float"""
5500  return _IMP_atom.SecondaryStructureResidue_get_prob_coil(self)
5501 
5502  def set_prob_coil(self, *args):
5503  """set_prob_coil(SecondaryStructureResidue self, IMP::Float t)"""
5504  return _IMP_atom.SecondaryStructureResidue_set_prob_coil(self, *args)
5505 
5506  def get_prob_helix_key():
5507  """get_prob_helix_key() -> FloatKey"""
5508  return _IMP_atom.SecondaryStructureResidue_get_prob_helix_key()
5509 
5510  if _newclass:get_prob_helix_key = staticmethod(get_prob_helix_key)
5511  __swig_getmethods__["get_prob_helix_key"] = lambda x: get_prob_helix_key
5512  def get_prob_strand_key():
5513  """get_prob_strand_key() -> FloatKey"""
5514  return _IMP_atom.SecondaryStructureResidue_get_prob_strand_key()
5515 
5516  if _newclass:get_prob_strand_key = staticmethod(get_prob_strand_key)
5517  __swig_getmethods__["get_prob_strand_key"] = lambda x: get_prob_strand_key
5518  def get_prob_coil_key():
5519  """get_prob_coil_key() -> FloatKey"""
5520  return _IMP_atom.SecondaryStructureResidue_get_prob_coil_key()
5521 
5522  if _newclass:get_prob_coil_key = staticmethod(get_prob_coil_key)
5523  __swig_getmethods__["get_prob_coil_key"] = lambda x: get_prob_coil_key
5524  def add_attribute(self, *args):
5525  """
5526  add_attribute(SecondaryStructureResidue self, FloatKey k, IMP::Float v, bool opt)
5527  add_attribute(SecondaryStructureResidue self, FloatKey a0, IMP::Float a1)
5528  add_attribute(SecondaryStructureResidue self, IntKey a0, IMP::Int a1)
5529  add_attribute(SecondaryStructureResidue self, StringKey a0, IMP::String a1)
5530  add_attribute(SecondaryStructureResidue self, ParticleIndexKey a0, Particle a1)
5531  add_attribute(SecondaryStructureResidue self, ObjectKey a0, Object a1)
5532  """
5533  return _IMP_atom.SecondaryStructureResidue_add_attribute(self, *args)
5534 
5535  def get_value(self, *args):
5536  """
5537  get_value(SecondaryStructureResidue self, FloatKey a0) -> IMP::Float
5538  get_value(SecondaryStructureResidue self, IntKey a0) -> IMP::Int
5539  get_value(SecondaryStructureResidue self, StringKey a0) -> IMP::String
5540  get_value(SecondaryStructureResidue self, ParticleIndexKey a0) -> Particle
5541  get_value(SecondaryStructureResidue self, ObjectKey a0) -> Object
5542  """
5543  return _IMP_atom.SecondaryStructureResidue_get_value(self, *args)
5544 
5545  def set_value(self, *args):
5546  """
5547  set_value(SecondaryStructureResidue self, FloatKey a0, IMP::Float a1)
5548  set_value(SecondaryStructureResidue self, IntKey a0, IMP::Int a1)
5549  set_value(SecondaryStructureResidue self, StringKey a0, IMP::String a1)
5550  set_value(SecondaryStructureResidue self, ParticleIndexKey a0, Particle a1)
5551  set_value(SecondaryStructureResidue self, ObjectKey a0, Object a1)
5552  """
5553  return _IMP_atom.SecondaryStructureResidue_set_value(self, *args)
5554 
5555  def remove_attribute(self, *args):
5556  """
5557  remove_attribute(SecondaryStructureResidue self, FloatKey a0)
5558  remove_attribute(SecondaryStructureResidue self, IntKey a0)
5559  remove_attribute(SecondaryStructureResidue self, StringKey a0)
5560  remove_attribute(SecondaryStructureResidue self, ParticleIndexKey a0)
5561  remove_attribute(SecondaryStructureResidue self, ObjectKey a0)
5562  """
5563  return _IMP_atom.SecondaryStructureResidue_remove_attribute(self, *args)
5564 
5565  def has_attribute(self, *args):
5566  """
5567  has_attribute(SecondaryStructureResidue self, FloatKey a0) -> bool
5568  has_attribute(SecondaryStructureResidue self, IntKey a0) -> bool
5569  has_attribute(SecondaryStructureResidue self, StringKey a0) -> bool
5570  has_attribute(SecondaryStructureResidue self, ParticleIndexKey a0) -> bool
5571  has_attribute(SecondaryStructureResidue self, ObjectKey a0) -> bool
5572  """
5573  return _IMP_atom.SecondaryStructureResidue_has_attribute(self, *args)
5574 
5575  def get_derivative(self, *args):
5576  """get_derivative(SecondaryStructureResidue self, FloatKey a0) -> double"""
5577  return _IMP_atom.SecondaryStructureResidue_get_derivative(self, *args)
5578 
5579  def get_name(self):
5580  """get_name(SecondaryStructureResidue self) -> std::string"""
5581  return _IMP_atom.SecondaryStructureResidue_get_name(self)
5582 
5583  def clear_caches(self):
5584  """clear_caches(SecondaryStructureResidue self)"""
5585  return _IMP_atom.SecondaryStructureResidue_clear_caches(self)
5586 
5587  def set_name(self, *args):
5588  """set_name(SecondaryStructureResidue self, std::string a0)"""
5589  return _IMP_atom.SecondaryStructureResidue_set_name(self, *args)
5590 
5591  def set_check_level(self, *args):
5592  """set_check_level(SecondaryStructureResidue self, IMP::base::CheckLevel a0)"""
5593  return _IMP_atom.SecondaryStructureResidue_set_check_level(self, *args)
5594 
5595  def add_to_derivative(self, *args):
5596  """add_to_derivative(SecondaryStructureResidue self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5597  return _IMP_atom.SecondaryStructureResidue_add_to_derivative(self, *args)
5598 
5599  def set_is_optimized(self, *args):
5600  """set_is_optimized(SecondaryStructureResidue self, FloatKey a0, bool a1)"""
5601  return _IMP_atom.SecondaryStructureResidue_set_is_optimized(self, *args)
5602 
5603  def get_is_optimized(self, *args):
5604  """get_is_optimized(SecondaryStructureResidue self, FloatKey a0) -> bool"""
5605  return _IMP_atom.SecondaryStructureResidue_get_is_optimized(self, *args)
5606 
5607  def get_check_level(self):
5608  """get_check_level(SecondaryStructureResidue self) -> IMP::base::CheckLevel"""
5609  return _IMP_atom.SecondaryStructureResidue_get_check_level(self)
5610 
5611  def __eq__(self, *args):
5612  """
5613  __eq__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
5614  __eq__(SecondaryStructureResidue self, Particle d) -> bool
5615  """
5616  return _IMP_atom.SecondaryStructureResidue___eq__(self, *args)
5617 
5618  def __ne__(self, *args):
5619  """
5620  __ne__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
5621  __ne__(SecondaryStructureResidue self, Particle d) -> bool
5622  """
5623  return _IMP_atom.SecondaryStructureResidue___ne__(self, *args)
5624 
5625  def __le__(self, *args):
5626  """
5627  __le__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
5628  __le__(SecondaryStructureResidue self, Particle d) -> bool
5629  """
5630  return _IMP_atom.SecondaryStructureResidue___le__(self, *args)
5631 
5632  def __lt__(self, *args):
5633  """
5634  __lt__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
5635  __lt__(SecondaryStructureResidue self, Particle d) -> bool
5636  """
5637  return _IMP_atom.SecondaryStructureResidue___lt__(self, *args)
5638 
5639  def __ge__(self, *args):
5640  """
5641  __ge__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
5642  __ge__(SecondaryStructureResidue self, Particle d) -> bool
5643  """
5644  return _IMP_atom.SecondaryStructureResidue___ge__(self, *args)
5645 
5646  def __gt__(self, *args):
5647  """
5648  __gt__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
5649  __gt__(SecondaryStructureResidue self, Particle d) -> bool
5650  """
5651  return _IMP_atom.SecondaryStructureResidue___gt__(self, *args)
5652 
5653  def __str__(self):
5654  """__str__(SecondaryStructureResidue self) -> std::string"""
5655  return _IMP_atom.SecondaryStructureResidue___str__(self)
5656 
5657  def __repr__(self):
5658  """__repr__(SecondaryStructureResidue self) -> std::string"""
5659  return _IMP_atom.SecondaryStructureResidue___repr__(self)
5660 
5661  __swig_destroy__ = _IMP_atom.delete_SecondaryStructureResidue
5662  __del__ = lambda self : None;
5663 SecondaryStructureResidue_swigregister = _IMP_atom.SecondaryStructureResidue_swigregister
5664 SecondaryStructureResidue_swigregister(SecondaryStructureResidue)
5665 
5666 def SecondaryStructureResidue_setup_particle(*args):
5667  """
5668  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Float prob_helix, IMP::Float prob_strand,
5669  IMP::Float prob_coil) -> SecondaryStructureResidue
5670  setup_particle(_ParticleAdaptor decorator, IMP::Float prob_helix, IMP::Float prob_strand, IMP::Float prob_coil) -> SecondaryStructureResidue
5671  SecondaryStructureResidue_setup_particle(Particle res_p) -> SecondaryStructureResidue
5672  """
5673  return _IMP_atom.SecondaryStructureResidue_setup_particle(*args)
5674 
5675 def SecondaryStructureResidue_get_is_setup(*args):
5676  """
5677  get_is_setup(_ParticleAdaptor p) -> bool
5678  SecondaryStructureResidue_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
5679  """
5680  return _IMP_atom.SecondaryStructureResidue_get_is_setup(*args)
5681 
5682 def SecondaryStructureResidue_get_prob_helix_key():
5683  """SecondaryStructureResidue_get_prob_helix_key() -> FloatKey"""
5684  return _IMP_atom.SecondaryStructureResidue_get_prob_helix_key()
5685 
5686 def SecondaryStructureResidue_get_prob_strand_key():
5687  """SecondaryStructureResidue_get_prob_strand_key() -> FloatKey"""
5688  return _IMP_atom.SecondaryStructureResidue_get_prob_strand_key()
5689 
5690 def SecondaryStructureResidue_get_prob_coil_key():
5691  """SecondaryStructureResidue_get_prob_coil_key() -> FloatKey"""
5692  return _IMP_atom.SecondaryStructureResidue_get_prob_coil_key()
5693 
5694 
5696  """
5697  setup_coarse_secondary_structure_residue(IMP::kernel::Particles const & ssr_ps, Model mdl, bool winner_takes_all_per_res=False) -> SecondaryStructureResidue
5698  setup_coarse_secondary_structure_residue(IMP::kernel::Particles const & ssr_ps, Model mdl) -> SecondaryStructureResidue
5699  """
5700  return _IMP_atom.setup_coarse_secondary_structure_residue(*args)
5701 
5703  """
5704  setup_coarse_secondary_structure_residues(IMP::kernel::Particles const & ssr_ps, Model mdl, int coarse_factor, int start_res_num,
5705  bool winner_takes_all_per_res=False) -> IMP::atom::SecondaryStructureResidues
5706  setup_coarse_secondary_structure_residues(IMP::kernel::Particles const & ssr_ps, Model mdl, int coarse_factor, int start_res_num) -> IMP::atom::SecondaryStructureResidues
5707  """
5708  return _IMP_atom.setup_coarse_secondary_structure_residues(*args)
5709 
5711  """get_secondary_structure_match_score(SecondaryStructureResidue ssr1, SecondaryStructureResidue ssr2) -> IMP::Float"""
5712  return _IMP_atom.get_secondary_structure_match_score(*args)
5713 
5714 def read_psipred(*args):
5715  """
5716  read_psipred(TextInput inf, Model mdl) -> IMP::atom::SecondaryStructureResidues
5717  read_psipred(TextInput inf, IMP::kernel::Particles ps) -> IMP::atom::SecondaryStructureResidues
5718  """
5719  return _IMP_atom.read_psipred(*args)
5720 class _ADopeBase(IMP.kernel.PairScore):
5721  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::Dope)> class"""
5722  __swig_setmethods__ = {}
5723  for _s in [IMP.kernel.PairScore]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
5724  __setattr__ = lambda self, name, value: _swig_setattr(self, _ADopeBase, name, value)
5725  __swig_getmethods__ = {}
5726  for _s in [IMP.kernel.PairScore]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
5727  __getattr__ = lambda self, name: _swig_getattr(self, _ADopeBase, name)
5728  __repr__ = _swig_repr
5729  def __init__(self, *args):
5730  """
5731  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::Dope)> self, Dope t0, std::string name="FunctorDistancePairScore %1%") -> _ADopeBase
5732  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::Dope)> self, Dope t0) -> _ADopeBase
5733  """
5734  this = _IMP_atom.new__ADopeBase(*args)
5735  try: self.this.append(this)
5736  except: self.this = this
5737  def do_get_inputs(self, *args):
5738  """do_get_inputs(_ADopeBase self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
5739  return _IMP_atom._ADopeBase_do_get_inputs(self, *args)
5740 
5741  def get_score_functor(self):
5742  """get_score_functor(_ADopeBase self) -> Dope"""
5743  return _IMP_atom._ADopeBase_get_score_functor(self)
5744 
5745  def get_version_info(self):
5746  """get_version_info(_ADopeBase self) -> VersionInfo"""
5747  return _IMP_atom._ADopeBase_get_version_info(self)
5748 
5749 _ADopeBase_swigregister = _IMP_atom._ADopeBase_swigregister
5750 _ADopeBase_swigregister(_ADopeBase)
5751 
5752 class _BDopeBase(IMP.kernel.PairScore):
5753  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::Statistical<(IMP::atom::DopeType,false,true,false)>)> class"""
5754  __swig_setmethods__ = {}
5755  for _s in [IMP.kernel.PairScore]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
5756  __setattr__ = lambda self, name, value: _swig_setattr(self, _BDopeBase, name, value)
5757  __swig_getmethods__ = {}
5758  for _s in [IMP.kernel.PairScore]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
5759  __getattr__ = lambda self, name: _swig_getattr(self, _BDopeBase, name)
5760  __repr__ = _swig_repr
5761  def __init__(self, *args):
5762  """
5763  __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,
5764  std::string name="FunctorDistancePairScore %1%") -> _BDopeBase
5765  __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
5766  """
5767  this = _IMP_atom.new__BDopeBase(*args)
5768  try: self.this.append(this)
5769  except: self.this = this
5770  def do_get_inputs(self, *args):
5771  """do_get_inputs(_BDopeBase self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
5772  return _IMP_atom._BDopeBase_do_get_inputs(self, *args)
5773 
5774  def get_score_functor(self):
5775  """get_score_functor(_BDopeBase self) -> _DopeBase"""
5776  return _IMP_atom._BDopeBase_get_score_functor(self)
5777 
5778  def get_version_info(self):
5779  """get_version_info(_BDopeBase self) -> VersionInfo"""
5780  return _IMP_atom._BDopeBase_get_version_info(self)
5781 
5782 _BDopeBase_swigregister = _IMP_atom._BDopeBase_swigregister
5783 _BDopeBase_swigregister(_BDopeBase)
5784 
5785 class _OrientedSoapBase(IMP.kernel.PairScore):
5786  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::OrientedSoap)> class"""
5787  __swig_setmethods__ = {}
5788  for _s in [IMP.kernel.PairScore]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
5789  __setattr__ = lambda self, name, value: _swig_setattr(self, _OrientedSoapBase, name, value)
5790  __swig_getmethods__ = {}
5791  for _s in [IMP.kernel.PairScore]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
5792  __getattr__ = lambda self, name: _swig_getattr(self, _OrientedSoapBase, name)
5793  __repr__ = _swig_repr
5794  def __init__(self, *args):
5795  """
5796  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::OrientedSoap)> self, IMP::score_functor::DistancePairScore< IMP::score_functor::OrientedSoap >::DistanceScore const & t0,
5797  std::string name="FunctorDistancePairScore %1%") -> _OrientedSoapBase
5798  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::OrientedSoap)> self, IMP::score_functor::DistancePairScore< IMP::score_functor::OrientedSoap >::DistanceScore const & t0) -> _OrientedSoapBase
5799  """
5800  this = _IMP_atom.new__OrientedSoapBase(*args)
5801  try: self.this.append(this)
5802  except: self.this = this
5803  def do_get_inputs(self, *args):
5804  """do_get_inputs(_OrientedSoapBase self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
5805  return _IMP_atom._OrientedSoapBase_do_get_inputs(self, *args)
5806 
5807  def get_score_functor(self):
5808  """get_score_functor(_OrientedSoapBase self) -> IMP::score_functor::OrientedSoap &"""
5809  return _IMP_atom._OrientedSoapBase_get_score_functor(self)
5810 
5811  def get_version_info(self):
5812  """get_version_info(_OrientedSoapBase self) -> VersionInfo"""
5813  return _IMP_atom._OrientedSoapBase_get_version_info(self)
5814 
5815 _OrientedSoapBase_swigregister = _IMP_atom._OrientedSoapBase_swigregister
5816 _OrientedSoapBase_swigregister(_OrientedSoapBase)
5817 
5818 class _SPSFTB(IMP.kernel.PairScore):
5819  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::Statistical<(IMP::atom::ProteinLigandType,true,false)>)> class"""
5820  __swig_setmethods__ = {}
5821  for _s in [IMP.kernel.PairScore]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
5822  __setattr__ = lambda self, name, value: _swig_setattr(self, _SPSFTB, name, value)
5823  __swig_getmethods__ = {}
5824  for _s in [IMP.kernel.PairScore]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
5825  __getattr__ = lambda self, name: _swig_getattr(self, _SPSFTB, name)
5826  __repr__ = _swig_repr
5827  def __init__(self, *args):
5828  """
5829  __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,
5830  std::string name="FunctorDistancePairScore %1%") -> _SPSFTB
5831  __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
5832  """
5833  this = _IMP_atom.new__SPSFTB(*args)
5834  try: self.this.append(this)
5835  except: self.this = this
5836  def do_get_inputs(self, *args):
5837  """do_get_inputs(_SPSFTB self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
5838  return _IMP_atom._SPSFTB_do_get_inputs(self, *args)
5839 
5840  def get_score_functor(self):
5841  """get_score_functor(_SPSFTB self) -> IMP::score_functor::Statistical< IMP::atom::ProteinLigandType,true,false,false > &"""
5842  return _IMP_atom._SPSFTB_get_score_functor(self)
5843 
5844  def get_version_info(self):
5845  """get_version_info(_SPSFTB self) -> VersionInfo"""
5846  return _IMP_atom._SPSFTB_get_version_info(self)
5847 
5848 _SPSFTB_swigregister = _IMP_atom._SPSFTB_swigregister
5849 _SPSFTB_swigregister(_SPSFTB)
5850 
5851 class _SPSTF(_SPSFTB):
5852  """Proxy of C++ IMP::core::StatisticalPairScore<(IMP::atom::ProteinLigandType,true,false)> class"""
5853  __swig_setmethods__ = {}
5854  for _s in [_SPSFTB]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
5855  __setattr__ = lambda self, name, value: _swig_setattr(self, _SPSTF, name, value)
5856  __swig_getmethods__ = {}
5857  for _s in [_SPSFTB]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
5858  __getattr__ = lambda self, name: _swig_getattr(self, _SPSTF, name)
5859  __repr__ = _swig_repr
5860  def __init__(self, *args):
5861  """
5862  __init__(IMP::core::StatisticalPairScore<(IMP::atom::ProteinLigandType,true,false)> self, IntKey k, double threshold, TextInput data_file) -> _SPSTF
5863  __init__(IMP::core::StatisticalPairScore<(IMP::atom::ProteinLigandType,true,false)> self, IntKey k, double threshold, TextInput data_file, unsigned int shift) -> _SPSTF
5864  """
5865  this = _IMP_atom.new__SPSTF(*args)
5866  try: self.this.append(this)
5867  except: self.this = this
5868  __swig_destroy__ = _IMP_atom.delete__SPSTF
5869  __del__ = lambda self : None;
5870 _SPSTF_swigregister = _IMP_atom._SPSTF_swigregister
5871 _SPSTF_swigregister(_SPSTF)
5872 
5873 class _SPSFT(_BDopeBase):
5874  """Proxy of C++ IMP::core::StatisticalPairScore<(IMP::atom::DopeType,false,true)> class"""
5875  __swig_setmethods__ = {}
5876  for _s in [_BDopeBase]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
5877  __setattr__ = lambda self, name, value: _swig_setattr(self, _SPSFT, name, value)
5878  __swig_getmethods__ = {}
5879  for _s in [_BDopeBase]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
5880  __getattr__ = lambda self, name: _swig_getattr(self, _SPSFT, name)
5881  __repr__ = _swig_repr
5882  def __init__(self, *args):
5883  """
5884  __init__(IMP::core::StatisticalPairScore<(IMP::atom::DopeType,false,true)> self, IntKey k, double threshold, TextInput data_file) -> _SPSFT
5885  __init__(IMP::core::StatisticalPairScore<(IMP::atom::DopeType,false,true)> self, IntKey k, double threshold, TextInput data_file, unsigned int shift) -> _SPSFT
5886  """
5887  this = _IMP_atom.new__SPSFT(*args)
5888  try: self.this.append(this)
5889  except: self.this = this
5890  __swig_destroy__ = _IMP_atom.delete__SPSFT
5891  __del__ = lambda self : None;
5892 _SPSFT_swigregister = _IMP_atom._SPSFT_swigregister
5893 _SPSFT_swigregister(_SPSFT)
5894 
5895 class ProteinLigandAtomPairScore(_SPSTF):
5896  """Proxy of C++ IMP::atom::ProteinLigandAtomPairScore class"""
5897  __swig_setmethods__ = {}
5898  for _s in [_SPSTF]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
5899  __setattr__ = lambda self, name, value: _swig_setattr(self, ProteinLigandAtomPairScore, name, value)
5900  __swig_getmethods__ = {}
5901  for _s in [_SPSTF]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
5902  __getattr__ = lambda self, name: _swig_getattr(self, ProteinLigandAtomPairScore, name)
5903  def __init__(self, *args):
5904  """
5905  __init__(IMP::atom::ProteinLigandAtomPairScore self, double threshold=std::numeric_limits< double >::max()) -> ProteinLigandAtomPairScore
5906  __init__(IMP::atom::ProteinLigandAtomPairScore self) -> ProteinLigandAtomPairScore
5907  __init__(IMP::atom::ProteinLigandAtomPairScore self, double threshold, TextInput data_file) -> ProteinLigandAtomPairScore
5908  """
5909  this = _IMP_atom.new_ProteinLigandAtomPairScore(*args)
5910  try: self.this.append(this)
5911  except: self.this = this
5912  def get_maximum_distance(self):
5913  """get_maximum_distance(ProteinLigandAtomPairScore self) -> double"""
5914  return _IMP_atom.ProteinLigandAtomPairScore_get_maximum_distance(self)
5915 
5916  def __str__(self):
5917  """__str__(ProteinLigandAtomPairScore self) -> std::string"""
5918  return _IMP_atom.ProteinLigandAtomPairScore___str__(self)
5919 
5920  def __repr__(self):
5921  """__repr__(ProteinLigandAtomPairScore self) -> std::string"""
5922  return _IMP_atom.ProteinLigandAtomPairScore___repr__(self)
5923 
5924  def get_from(o):
5925  return _object_cast_to_ProteinLigandAtomPairScore(o)
5926  get_from = staticmethod(get_from)
5927 
5928  __swig_destroy__ = _IMP_atom.delete_ProteinLigandAtomPairScore
5929  __del__ = lambda self : None;
5930 ProteinLigandAtomPairScore_swigregister = _IMP_atom.ProteinLigandAtomPairScore_swigregister
5931 ProteinLigandAtomPairScore_swigregister(ProteinLigandAtomPairScore)
5932 
5933 class ProteinLigandRestraint(IMP.container.PairsRestraint):
5934  """Proxy of C++ IMP::atom::ProteinLigandRestraint class"""
5935  __swig_setmethods__ = {}
5936  for _s in [IMP.container.PairsRestraint]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
5937  __setattr__ = lambda self, name, value: _swig_setattr(self, ProteinLigandRestraint, name, value)
5938  __swig_getmethods__ = {}
5939  for _s in [IMP.container.PairsRestraint]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
5940  __getattr__ = lambda self, name: _swig_getattr(self, ProteinLigandRestraint, name)
5941  def __init__(self, *args):
5942  """
5943  __init__(IMP::atom::ProteinLigandRestraint self, Hierarchy protein, Hierarchy ligand, double threshold=std::numeric_limits< double >::max()) -> ProteinLigandRestraint
5944  __init__(IMP::atom::ProteinLigandRestraint self, Hierarchy protein, Hierarchy ligand) -> ProteinLigandRestraint
5945  __init__(IMP::atom::ProteinLigandRestraint self, Hierarchy protein, Hierarchy ligand, double threshold, TextInput data_file) -> ProteinLigandRestraint
5946  """
5947  this = _IMP_atom.new_ProteinLigandRestraint(*args)
5948  try: self.this.append(this)
5949  except: self.this = this
5950  def __str__(self):
5951  """__str__(ProteinLigandRestraint self) -> std::string"""
5952  return _IMP_atom.ProteinLigandRestraint___str__(self)
5953 
5954  def __repr__(self):
5955  """__repr__(ProteinLigandRestraint self) -> std::string"""
5956  return _IMP_atom.ProteinLigandRestraint___repr__(self)
5957 
5958  def get_from(o):
5959  return _object_cast_to_ProteinLigandRestraint(o)
5960  get_from = staticmethod(get_from)
5961 
5962  __swig_destroy__ = _IMP_atom.delete_ProteinLigandRestraint
5963  __del__ = lambda self : None;
5964 ProteinLigandRestraint_swigregister = _IMP_atom.ProteinLigandRestraint_swigregister
5965 ProteinLigandRestraint_swigregister(ProteinLigandRestraint)
5966 
5967 
5969  """add_protein_ligand_score_data(Hierarchy h)"""
5970  return _IMP_atom.add_protein_ligand_score_data(*args)
5971 class AtomType(IMP.base._Value):
5972  """Proxy of C++ IMP::Key<(8974343,false)> class"""
5973  __swig_setmethods__ = {}
5974  for _s in [IMP.base._Value]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
5975  __setattr__ = lambda self, name, value: _swig_setattr(self, AtomType, name, value)
5976  __swig_getmethods__ = {}
5977  for _s in [IMP.base._Value]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
5978  __getattr__ = lambda self, name: _swig_getattr(self, AtomType, name)
5979  def __init__(self, *args):
5980  """
5981  __init__(IMP::Key<(8974343,false)> self) -> AtomType
5982  __init__(IMP::Key<(8974343,false)> self, std::string c) -> AtomType
5983  __init__(IMP::Key<(8974343,false)> self, unsigned int i) -> AtomType
5984  """
5985  this = _IMP_atom.new_AtomType(*args)
5986  try: self.this.append(this)
5987  except: self.this = this
5988  def add_key(*args):
5989  """add_key(std::string sc) -> unsigned int"""
5990  return _IMP_atom.AtomType_add_key(*args)
5991 
5992  if _newclass:add_key = staticmethod(add_key)
5993  __swig_getmethods__["add_key"] = lambda x: add_key
5994  def get_key_exists(*args):
5995  """get_key_exists(std::string sc) -> bool"""
5996  return _IMP_atom.AtomType_get_key_exists(*args)
5997 
5998  if _newclass:get_key_exists = staticmethod(get_key_exists)
5999  __swig_getmethods__["get_key_exists"] = lambda x: get_key_exists
6000  def get_string(self):
6001  """get_string(AtomType self) -> std::string const"""
6002  return _IMP_atom.AtomType_get_string(self)
6003 
6004  def __eq__(self, *args):
6005  """__eq__(AtomType self, AtomType o) -> bool"""
6006  return _IMP_atom.AtomType___eq__(self, *args)
6007 
6008  def __ne__(self, *args):
6009  """__ne__(AtomType self, AtomType o) -> bool"""
6010  return _IMP_atom.AtomType___ne__(self, *args)
6011 
6012  def __lt__(self, *args):
6013  """__lt__(AtomType self, AtomType o) -> bool"""
6014  return _IMP_atom.AtomType___lt__(self, *args)
6015 
6016  def __gt__(self, *args):
6017  """__gt__(AtomType self, AtomType o) -> bool"""
6018  return _IMP_atom.AtomType___gt__(self, *args)
6019 
6020  def __ge__(self, *args):
6021  """__ge__(AtomType self, AtomType o) -> bool"""
6022  return _IMP_atom.AtomType___ge__(self, *args)
6023 
6024  def __le__(self, *args):
6025  """__le__(AtomType self, AtomType o) -> bool"""
6026  return _IMP_atom.AtomType___le__(self, *args)
6027 
6028  def __hash__(self):
6029  """__hash__(AtomType self) -> std::size_t"""
6030  return _IMP_atom.AtomType___hash__(self)
6031 
6032  def show(self, *args):
6033  """
6034  show(AtomType self, _ostream out=std::cout)
6035  show(AtomType self)
6036  """
6037  return _IMP_atom.AtomType_show(self, *args)
6038 
6039  def add_alias(*args):
6040  """add_alias(AtomType old_key, std::string new_name) -> AtomType"""
6041  return _IMP_atom.AtomType_add_alias(*args)
6042 
6043  if _newclass:add_alias = staticmethod(add_alias)
6044  __swig_getmethods__["add_alias"] = lambda x: add_alias
6045  def get_index(self):
6046  """get_index(AtomType self) -> unsigned int"""
6047  return _IMP_atom.AtomType_get_index(self)
6048 
6049  def show_all(*args):
6050  """show_all(_ostream out)"""
6051  return _IMP_atom.AtomType_show_all(*args)
6052 
6053  if _newclass:show_all = staticmethod(show_all)
6054  __swig_getmethods__["show_all"] = lambda x: show_all
6055  def get_all_strings():
6056  """get_all_strings() -> IMP::base::Vector< std::string >"""
6057  return _IMP_atom.AtomType_get_all_strings()
6058 
6059  if _newclass:get_all_strings = staticmethod(get_all_strings)
6060  __swig_getmethods__["get_all_strings"] = lambda x: get_all_strings
6061  def get_number_unique():
6062  """get_number_unique() -> unsigned int"""
6063  return _IMP_atom.AtomType_get_number_unique()
6064 
6065  if _newclass:get_number_unique = staticmethod(get_number_unique)
6066  __swig_getmethods__["get_number_unique"] = lambda x: get_number_unique
6067  def __str__(self):
6068  """__str__(AtomType self) -> std::string"""
6069  return _IMP_atom.AtomType___str__(self)
6070 
6071  def __repr__(self):
6072  """__repr__(AtomType self) -> std::string"""
6073  return _IMP_atom.AtomType___repr__(self)
6074 
6075  __swig_destroy__ = _IMP_atom.delete_AtomType
6076  __del__ = lambda self : None;
6077 AtomType_swigregister = _IMP_atom.AtomType_swigregister
6078 AtomType_swigregister(AtomType)
6079 
6080 def AtomType_add_key(*args):
6081  """AtomType_add_key(std::string sc) -> unsigned int"""
6082  return _IMP_atom.AtomType_add_key(*args)
6083 
6084 def AtomType_get_key_exists(*args):
6085  """AtomType_get_key_exists(std::string sc) -> bool"""
6086  return _IMP_atom.AtomType_get_key_exists(*args)
6087 
6088 def AtomType_add_alias(*args):
6089  """AtomType_add_alias(AtomType old_key, std::string new_name) -> AtomType"""
6090  return _IMP_atom.AtomType_add_alias(*args)
6091 
6092 def AtomType_show_all(*args):
6093  """AtomType_show_all(_ostream out)"""
6094  return _IMP_atom.AtomType_show_all(*args)
6095 
6096 def AtomType_get_all_strings():
6097  """AtomType_get_all_strings() -> IMP::base::Vector< std::string >"""
6098  return _IMP_atom.AtomType_get_all_strings()
6099 
6100 def AtomType_get_number_unique():
6101  """AtomType_get_number_unique() -> unsigned int"""
6102  return _IMP_atom.AtomType_get_number_unique()
6103 
6104 class ResidueType(IMP.base._Value):
6105  """Proxy of C++ IMP::Key<(90784334,true)> class"""
6106  __swig_setmethods__ = {}
6107  for _s in [IMP.base._Value]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
6108  __setattr__ = lambda self, name, value: _swig_setattr(self, ResidueType, name, value)
6109  __swig_getmethods__ = {}
6110  for _s in [IMP.base._Value]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
6111  __getattr__ = lambda self, name: _swig_getattr(self, ResidueType, name)
6112  def __init__(self, *args):
6113  """
6114  __init__(IMP::Key<(90784334,true)> self) -> ResidueType
6115  __init__(IMP::Key<(90784334,true)> self, std::string c) -> ResidueType
6116  __init__(IMP::Key<(90784334,true)> self, unsigned int i) -> ResidueType
6117  """
6118  this = _IMP_atom.new_ResidueType(*args)
6119  try: self.this.append(this)
6120  except: self.this = this
6121  def add_key(*args):
6122  """add_key(std::string sc) -> unsigned int"""
6123  return _IMP_atom.ResidueType_add_key(*args)
6124 
6125  if _newclass:add_key = staticmethod(add_key)
6126  __swig_getmethods__["add_key"] = lambda x: add_key
6127  def get_key_exists(*args):
6128  """get_key_exists(std::string sc) -> bool"""
6129  return _IMP_atom.ResidueType_get_key_exists(*args)
6130 
6131  if _newclass:get_key_exists = staticmethod(get_key_exists)
6132  __swig_getmethods__["get_key_exists"] = lambda x: get_key_exists
6133  def get_string(self):
6134  """get_string(ResidueType self) -> std::string const"""
6135  return _IMP_atom.ResidueType_get_string(self)
6136 
6137  def __eq__(self, *args):
6138  """__eq__(ResidueType self, ResidueType o) -> bool"""
6139  return _IMP_atom.ResidueType___eq__(self, *args)
6140 
6141  def __ne__(self, *args):
6142  """__ne__(ResidueType self, ResidueType o) -> bool"""
6143  return _IMP_atom.ResidueType___ne__(self, *args)
6144 
6145  def __lt__(self, *args):
6146  """__lt__(ResidueType self, ResidueType o) -> bool"""
6147  return _IMP_atom.ResidueType___lt__(self, *args)
6148 
6149  def __gt__(self, *args):
6150  """__gt__(ResidueType self, ResidueType o) -> bool"""
6151  return _IMP_atom.ResidueType___gt__(self, *args)
6152 
6153  def __ge__(self, *args):
6154  """__ge__(ResidueType self, ResidueType o) -> bool"""
6155  return _IMP_atom.ResidueType___ge__(self, *args)
6156 
6157  def __le__(self, *args):
6158  """__le__(ResidueType self, ResidueType o) -> bool"""
6159  return _IMP_atom.ResidueType___le__(self, *args)
6160 
6161  def __hash__(self):
6162  """__hash__(ResidueType self) -> std::size_t"""
6163  return _IMP_atom.ResidueType___hash__(self)
6164 
6165  def show(self, *args):
6166  """
6167  show(ResidueType self, _ostream out=std::cout)
6168  show(ResidueType self)
6169  """
6170  return _IMP_atom.ResidueType_show(self, *args)
6171 
6172  def add_alias(*args):
6173  """add_alias(ResidueType old_key, std::string new_name) -> ResidueType"""
6174  return _IMP_atom.ResidueType_add_alias(*args)
6175 
6176  if _newclass:add_alias = staticmethod(add_alias)
6177  __swig_getmethods__["add_alias"] = lambda x: add_alias
6178  def get_index(self):
6179  """get_index(ResidueType self) -> unsigned int"""
6180  return _IMP_atom.ResidueType_get_index(self)
6181 
6182  def show_all(*args):
6183  """show_all(_ostream out)"""
6184  return _IMP_atom.ResidueType_show_all(*args)
6185 
6186  if _newclass:show_all = staticmethod(show_all)
6187  __swig_getmethods__["show_all"] = lambda x: show_all
6188  def get_all_strings():
6189  """get_all_strings() -> IMP::base::Vector< std::string >"""
6190  return _IMP_atom.ResidueType_get_all_strings()
6191 
6192  if _newclass:get_all_strings = staticmethod(get_all_strings)
6193  __swig_getmethods__["get_all_strings"] = lambda x: get_all_strings
6194  def get_number_unique():
6195  """get_number_unique() -> unsigned int"""
6196  return _IMP_atom.ResidueType_get_number_unique()
6197 
6198  if _newclass:get_number_unique = staticmethod(get_number_unique)
6199  __swig_getmethods__["get_number_unique"] = lambda x: get_number_unique
6200  def __str__(self):
6201  """__str__(ResidueType self) -> std::string"""
6202  return _IMP_atom.ResidueType___str__(self)
6203 
6204  def __repr__(self):
6205  """__repr__(ResidueType self) -> std::string"""
6206  return _IMP_atom.ResidueType___repr__(self)
6207 
6208  __swig_destroy__ = _IMP_atom.delete_ResidueType
6209  __del__ = lambda self : None;
6210 ResidueType_swigregister = _IMP_atom.ResidueType_swigregister
6211 ResidueType_swigregister(ResidueType)
6212 
6213 def ResidueType_add_key(*args):
6214  """ResidueType_add_key(std::string sc) -> unsigned int"""
6215  return _IMP_atom.ResidueType_add_key(*args)
6216 
6217 def ResidueType_get_key_exists(*args):
6218  """ResidueType_get_key_exists(std::string sc) -> bool"""
6219  return _IMP_atom.ResidueType_get_key_exists(*args)
6220 
6221 def ResidueType_add_alias(*args):
6222  """ResidueType_add_alias(ResidueType old_key, std::string new_name) -> ResidueType"""
6223  return _IMP_atom.ResidueType_add_alias(*args)
6224 
6225 def ResidueType_show_all(*args):
6226  """ResidueType_show_all(_ostream out)"""
6227  return _IMP_atom.ResidueType_show_all(*args)
6228 
6229 def ResidueType_get_all_strings():
6230  """ResidueType_get_all_strings() -> IMP::base::Vector< std::string >"""
6231  return _IMP_atom.ResidueType_get_all_strings()
6232 
6233 def ResidueType_get_number_unique():
6234  """ResidueType_get_number_unique() -> unsigned int"""
6235  return _IMP_atom.ResidueType_get_number_unique()
6236 
6237 UNKNOWN_ELEMENT = _IMP_atom.UNKNOWN_ELEMENT
6238 OH = _IMP_atom.OH
6239 H2O = _IMP_atom.H2O
6240 H = _IMP_atom.H
6241 He = _IMP_atom.He
6242 Li = _IMP_atom.Li
6243 Be = _IMP_atom.Be
6244 B = _IMP_atom.B
6245 C = _IMP_atom.C
6246 N = _IMP_atom.N
6247 O = _IMP_atom.O
6248 F = _IMP_atom.F
6249 Ne = _IMP_atom.Ne
6250 Na = _IMP_atom.Na
6251 Mg = _IMP_atom.Mg
6252 Al = _IMP_atom.Al
6253 Si = _IMP_atom.Si
6254 P = _IMP_atom.P
6255 S = _IMP_atom.S
6256 Cl = _IMP_atom.Cl
6257 Ar = _IMP_atom.Ar
6258 K = _IMP_atom.K
6259 Ca = _IMP_atom.Ca
6260 Sc = _IMP_atom.Sc
6261 Ti = _IMP_atom.Ti
6262 V = _IMP_atom.V
6263 Cr = _IMP_atom.Cr
6264 Mn = _IMP_atom.Mn
6265 Fe = _IMP_atom.Fe
6266 Co = _IMP_atom.Co
6267 Ni = _IMP_atom.Ni
6268 Cu = _IMP_atom.Cu
6269 Zn = _IMP_atom.Zn
6270 Ga = _IMP_atom.Ga
6271 Ge = _IMP_atom.Ge
6272 As = _IMP_atom.As
6273 Se = _IMP_atom.Se
6274 Br = _IMP_atom.Br
6275 Kr = _IMP_atom.Kr
6276 Rb = _IMP_atom.Rb
6277 Sr = _IMP_atom.Sr
6278 Y = _IMP_atom.Y
6279 Zr = _IMP_atom.Zr
6280 Nb = _IMP_atom.Nb
6281 Mo = _IMP_atom.Mo
6282 Tc = _IMP_atom.Tc
6283 Ru = _IMP_atom.Ru
6284 Rh = _IMP_atom.Rh
6285 Pd = _IMP_atom.Pd
6286 Ag = _IMP_atom.Ag
6287 Cd = _IMP_atom.Cd
6288 In = _IMP_atom.In
6289 Sn = _IMP_atom.Sn
6290 Sb = _IMP_atom.Sb
6291 Te = _IMP_atom.Te
6292 I = _IMP_atom.I
6293 Xe = _IMP_atom.Xe
6294 Cs = _IMP_atom.Cs
6295 Ba = _IMP_atom.Ba
6296 La = _IMP_atom.La
6297 Ce = _IMP_atom.Ce
6298 Pr = _IMP_atom.Pr
6299 Nd = _IMP_atom.Nd
6300 Pm = _IMP_atom.Pm
6301 Sm = _IMP_atom.Sm
6302 Eu = _IMP_atom.Eu
6303 Gd = _IMP_atom.Gd
6304 Tb = _IMP_atom.Tb
6305 Dy = _IMP_atom.Dy
6306 Ho = _IMP_atom.Ho
6307 Er = _IMP_atom.Er
6308 Tm = _IMP_atom.Tm
6309 Yb = _IMP_atom.Yb
6310 Lu = _IMP_atom.Lu
6311 Hf = _IMP_atom.Hf
6312 Ta = _IMP_atom.Ta
6313 W = _IMP_atom.W
6314 Re = _IMP_atom.Re
6315 Os = _IMP_atom.Os
6316 Ir = _IMP_atom.Ir
6317 Pt = _IMP_atom.Pt
6318 Au = _IMP_atom.Au
6319 Hg = _IMP_atom.Hg
6320 Tl = _IMP_atom.Tl
6321 Pb = _IMP_atom.Pb
6322 Bi = _IMP_atom.Bi
6323 Po = _IMP_atom.Po
6324 At = _IMP_atom.At
6325 Rn = _IMP_atom.Rn
6326 Fr = _IMP_atom.Fr
6327 Ra = _IMP_atom.Ra
6328 Ac = _IMP_atom.Ac
6329 Th = _IMP_atom.Th
6330 Pa = _IMP_atom.Pa
6331 U = _IMP_atom.U
6332 Np = _IMP_atom.Np
6333 Pu = _IMP_atom.Pu
6334 Am = _IMP_atom.Am
6335 Cm = _IMP_atom.Cm
6336 Bk = _IMP_atom.Bk
6337 Cf = _IMP_atom.Cf
6338 Es = _IMP_atom.Es
6339 Fm = _IMP_atom.Fm
6340 Md = _IMP_atom.Md
6341 No = _IMP_atom.No
6342 Lr = _IMP_atom.Lr
6343 Db = _IMP_atom.Db
6344 Jl = _IMP_atom.Jl
6345 Rf = _IMP_atom.Rf
6346 NUMBER_OF_ELEMENTS = _IMP_atom.NUMBER_OF_ELEMENTS
6347 
6348 def hash_value(*args):
6349  """hash_value(IMP::atom::Element e) -> size_t"""
6350  return _IMP_atom.hash_value(*args)
6351 class ElementTable(_object):
6352  """Proxy of C++ IMP::atom::ElementTable class"""
6353  __swig_setmethods__ = {}
6354  __setattr__ = lambda self, name, value: _swig_setattr(self, ElementTable, name, value)
6355  __swig_getmethods__ = {}
6356  __getattr__ = lambda self, name: _swig_getattr(self, ElementTable, name)
6357  __repr__ = _swig_repr
6358  def __init__(self):
6359  """__init__(IMP::atom::ElementTable self) -> ElementTable"""
6360  this = _IMP_atom.new_ElementTable()
6361  try: self.this.append(this)
6362  except: self.this = this
6363  def get_element(self, *args):
6364  """get_element(ElementTable self, std::string const & s) -> IMP::atom::Element"""
6365  return _IMP_atom.ElementTable_get_element(self, *args)
6366 
6367  def get_name(self, *args):
6368  """get_name(ElementTable self, IMP::atom::Element e) -> std::string"""
6369  return _IMP_atom.ElementTable_get_name(self, *args)
6370 
6371  def get_mass(self, *args):
6372  """get_mass(ElementTable self, IMP::atom::Element e) -> IMP::Float"""
6373  return _IMP_atom.ElementTable_get_mass(self, *args)
6374 
6375  __swig_destroy__ = _IMP_atom.delete_ElementTable
6376  __del__ = lambda self : None;
6377 ElementTable_swigregister = _IMP_atom.ElementTable_swigregister
6378 ElementTable_swigregister(ElementTable)
6379 
6380 
6381 def get_element_table():
6382  """get_element_table() -> ElementTable"""
6383  return _IMP_atom.get_element_table()
6384 class Atom(Hierarchy):
6385  """Proxy of C++ IMP::atom::Atom class"""
6386  __swig_setmethods__ = {}
6387  for _s in [Hierarchy]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
6388  __setattr__ = lambda self, name, value: _swig_setattr(self, Atom, name, value)
6389  __swig_getmethods__ = {}
6390  for _s in [Hierarchy]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
6391  __getattr__ = lambda self, name: _swig_getattr(self, Atom, name)
6392  def __init__(self, *args):
6393  """
6394  __init__(IMP::atom::Atom self) -> Atom
6395  __init__(IMP::atom::Atom self, Model m, ::IMP::kernel::ParticleIndex id) -> Atom
6396  __init__(IMP::atom::Atom self, _ParticleAdaptor d) -> Atom
6397  """
6398  this = _IMP_atom.new_Atom(*args)
6399  try: self.this.append(this)
6400  except: self.this = this
6401  def show(self, *args):
6402  """
6403  show(Atom self, _ostream out=std::cout)
6404  show(Atom self)
6405  """
6406  return _IMP_atom.Atom_show(self, *args)
6407 
6408  def setup_particle(*args):
6409  """
6410  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Atom other) -> Atom
6411  setup_particle(_ParticleAdaptor decorator, Atom other) -> Atom
6412  setup_particle(Model m, IMP::kernel::ParticleIndex pi, AtomType atom_type) -> Atom
6413  setup_particle(_ParticleAdaptor decorator, AtomType atom_type) -> Atom
6414  """
6415  return _IMP_atom.Atom_setup_particle(*args)
6416 
6417  if _newclass:setup_particle = staticmethod(setup_particle)
6418  __swig_getmethods__["setup_particle"] = lambda x: setup_particle
6419  def get_is_setup(*args):
6420  """
6421  get_is_setup(_ParticleAdaptor p) -> bool
6422  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
6423  """
6424  return _IMP_atom.Atom_get_is_setup(*args)
6425 
6426  if _newclass:get_is_setup = staticmethod(get_is_setup)
6427  __swig_getmethods__["get_is_setup"] = lambda x: get_is_setup
6428  def get_atom_type(self):
6429  """get_atom_type(Atom self) -> AtomType"""
6430  return _IMP_atom.Atom_get_atom_type(self)
6431 
6432  def set_atom_type(self, *args):
6433  """set_atom_type(Atom self, AtomType t)"""
6434  return _IMP_atom.Atom_set_atom_type(self, *args)
6435 
6436  def get_element(self):
6437  """get_element(Atom self) -> IMP::atom::Element"""
6438  return _IMP_atom.Atom_get_element(self)
6439 
6440  def set_element(self, *args):
6441  """set_element(Atom self, IMP::atom::Element e)"""
6442  return _IMP_atom.Atom_set_element(self, *args)
6443 
6444  def get_occupancy(self):
6445  """get_occupancy(Atom self) -> double"""
6446  return _IMP_atom.Atom_get_occupancy(self)
6447 
6448  def set_occupancy(self, *args):
6449  """set_occupancy(Atom self, double occupancy)"""
6450  return _IMP_atom.Atom_set_occupancy(self, *args)
6451 
6452  def get_temperature_factor(self):
6453  """get_temperature_factor(Atom self) -> double"""
6454  return _IMP_atom.Atom_get_temperature_factor(self)
6455 
6456  def set_temperature_factor(self, *args):
6457  """set_temperature_factor(Atom self, double tempFactor)"""
6458  return _IMP_atom.Atom_set_temperature_factor(self, *args)
6459 
6460  def get_input_index(self):
6461  """get_input_index(Atom self) -> IMP::Int"""
6462  return _IMP_atom.Atom_get_input_index(self)
6463 
6464  def set_input_index(self, *args):
6465  """set_input_index(Atom self, IMP::Int t)"""
6466  return _IMP_atom.Atom_set_input_index(self, *args)
6467 
6468  def get_atom_type_key():
6469  """get_atom_type_key() -> IntKey"""
6470  return _IMP_atom.Atom_get_atom_type_key()
6471 
6472  if _newclass:get_atom_type_key = staticmethod(get_atom_type_key)
6473  __swig_getmethods__["get_atom_type_key"] = lambda x: get_atom_type_key
6474  def get_element_key():
6475  """get_element_key() -> IntKey"""
6476  return _IMP_atom.Atom_get_element_key()
6477 
6478  if _newclass:get_element_key = staticmethod(get_element_key)
6479  __swig_getmethods__["get_element_key"] = lambda x: get_element_key
6480  def get_input_index_key():
6481  """get_input_index_key() -> IntKey"""
6482  return _IMP_atom.Atom_get_input_index_key()
6483 
6484  if _newclass:get_input_index_key = staticmethod(get_input_index_key)
6485  __swig_getmethods__["get_input_index_key"] = lambda x: get_input_index_key
6486  def get_occupancy_key():
6487  """get_occupancy_key() -> FloatKey"""
6488  return _IMP_atom.Atom_get_occupancy_key()
6489 
6490  if _newclass:get_occupancy_key = staticmethod(get_occupancy_key)
6491  __swig_getmethods__["get_occupancy_key"] = lambda x: get_occupancy_key
6492  def get_temperature_factor_key():
6493  """get_temperature_factor_key() -> FloatKey"""
6494  return _IMP_atom.Atom_get_temperature_factor_key()
6495 
6496  if _newclass:get_temperature_factor_key = staticmethod(get_temperature_factor_key)
6497  __swig_getmethods__["get_temperature_factor_key"] = lambda x: get_temperature_factor_key
6498  def add_attribute(self, *args):
6499  """
6500  add_attribute(Atom self, FloatKey k, IMP::Float v, bool opt)
6501  add_attribute(Atom self, FloatKey a0, IMP::Float a1)
6502  add_attribute(Atom self, IntKey a0, IMP::Int a1)
6503  add_attribute(Atom self, StringKey a0, IMP::String a1)
6504  add_attribute(Atom self, ParticleIndexKey a0, Particle a1)
6505  add_attribute(Atom self, ObjectKey a0, Object a1)
6506  """
6507  return _IMP_atom.Atom_add_attribute(self, *args)
6508 
6509  def get_value(self, *args):
6510  """
6511  get_value(Atom self, FloatKey a0) -> IMP::Float
6512  get_value(Atom self, IntKey a0) -> IMP::Int
6513  get_value(Atom self, StringKey a0) -> IMP::String
6514  get_value(Atom self, ParticleIndexKey a0) -> Particle
6515  get_value(Atom self, ObjectKey a0) -> Object
6516  """
6517  return _IMP_atom.Atom_get_value(self, *args)
6518 
6519  def set_value(self, *args):
6520  """
6521  set_value(Atom self, FloatKey a0, IMP::Float a1)
6522  set_value(Atom self, IntKey a0, IMP::Int a1)
6523  set_value(Atom self, StringKey a0, IMP::String a1)
6524  set_value(Atom self, ParticleIndexKey a0, Particle a1)
6525  set_value(Atom self, ObjectKey a0, Object a1)
6526  """
6527  return _IMP_atom.Atom_set_value(self, *args)
6528 
6529  def remove_attribute(self, *args):
6530  """
6531  remove_attribute(Atom self, FloatKey a0)
6532  remove_attribute(Atom self, IntKey a0)
6533  remove_attribute(Atom self, StringKey a0)
6534  remove_attribute(Atom self, ParticleIndexKey a0)
6535  remove_attribute(Atom self, ObjectKey a0)
6536  """
6537  return _IMP_atom.Atom_remove_attribute(self, *args)
6538 
6539  def has_attribute(self, *args):
6540  """
6541  has_attribute(Atom self, FloatKey a0) -> bool
6542  has_attribute(Atom self, IntKey a0) -> bool
6543  has_attribute(Atom self, StringKey a0) -> bool
6544  has_attribute(Atom self, ParticleIndexKey a0) -> bool
6545  has_attribute(Atom self, ObjectKey a0) -> bool
6546  """
6547  return _IMP_atom.Atom_has_attribute(self, *args)
6548 
6549  def get_derivative(self, *args):
6550  """get_derivative(Atom self, FloatKey a0) -> double"""
6551  return _IMP_atom.Atom_get_derivative(self, *args)
6552 
6553  def get_name(self):
6554  """get_name(Atom self) -> std::string"""
6555  return _IMP_atom.Atom_get_name(self)
6556 
6557  def clear_caches(self):
6558  """clear_caches(Atom self)"""
6559  return _IMP_atom.Atom_clear_caches(self)
6560 
6561  def set_name(self, *args):
6562  """set_name(Atom self, std::string a0)"""
6563  return _IMP_atom.Atom_set_name(self, *args)
6564 
6565  def set_check_level(self, *args):
6566  """set_check_level(Atom self, IMP::base::CheckLevel a0)"""
6567  return _IMP_atom.Atom_set_check_level(self, *args)
6568 
6569  def add_to_derivative(self, *args):
6570  """add_to_derivative(Atom self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
6571  return _IMP_atom.Atom_add_to_derivative(self, *args)
6572 
6573  def set_is_optimized(self, *args):
6574  """set_is_optimized(Atom self, FloatKey a0, bool a1)"""
6575  return _IMP_atom.Atom_set_is_optimized(self, *args)
6576 
6577  def get_is_optimized(self, *args):
6578  """get_is_optimized(Atom self, FloatKey a0) -> bool"""
6579  return _IMP_atom.Atom_get_is_optimized(self, *args)
6580 
6581  def get_check_level(self):
6582  """get_check_level(Atom self) -> IMP::base::CheckLevel"""
6583  return _IMP_atom.Atom_get_check_level(self)
6584 
6585  def __eq__(self, *args):
6586  """
6587  __eq__(Atom self, Atom o) -> bool
6588  __eq__(Atom self, Particle d) -> bool
6589  """
6590  return _IMP_atom.Atom___eq__(self, *args)
6591 
6592  def __ne__(self, *args):
6593  """
6594  __ne__(Atom self, Atom o) -> bool
6595  __ne__(Atom self, Particle d) -> bool
6596  """
6597  return _IMP_atom.Atom___ne__(self, *args)
6598 
6599  def __le__(self, *args):
6600  """
6601  __le__(Atom self, Atom o) -> bool
6602  __le__(Atom self, Particle d) -> bool
6603  """
6604  return _IMP_atom.Atom___le__(self, *args)
6605 
6606  def __lt__(self, *args):
6607  """
6608  __lt__(Atom self, Atom o) -> bool
6609  __lt__(Atom self, Particle d) -> bool
6610  """
6611  return _IMP_atom.Atom___lt__(self, *args)
6612 
6613  def __ge__(self, *args):
6614  """
6615  __ge__(Atom self, Atom o) -> bool
6616  __ge__(Atom self, Particle d) -> bool
6617  """
6618  return _IMP_atom.Atom___ge__(self, *args)
6619 
6620  def __gt__(self, *args):
6621  """
6622  __gt__(Atom self, Atom o) -> bool
6623  __gt__(Atom self, Particle d) -> bool
6624  """
6625  return _IMP_atom.Atom___gt__(self, *args)
6626 
6627  def __str__(self):
6628  """__str__(Atom self) -> std::string"""
6629  return _IMP_atom.Atom___str__(self)
6630 
6631  def __repr__(self):
6632  """__repr__(Atom self) -> std::string"""
6633  return _IMP_atom.Atom___repr__(self)
6634 
6635  __swig_destroy__ = _IMP_atom.delete_Atom
6636  __del__ = lambda self : None;
6637 Atom_swigregister = _IMP_atom.Atom_swigregister
6638 Atom_swigregister(Atom)
6639 cvar = _IMP_atom.cvar
6640 AT_UNKNOWN = cvar.AT_UNKNOWN
6641 AT_N = cvar.AT_N
6642 AT_CA = cvar.AT_CA
6643 AT_C = cvar.AT_C
6644 AT_O = cvar.AT_O
6645 AT_H = cvar.AT_H
6646 AT_H1 = cvar.AT_H1
6647 AT_H2 = cvar.AT_H2
6648 AT_H3 = cvar.AT_H3
6649 AT_HA = cvar.AT_HA
6650 AT_HA1 = cvar.AT_HA1
6651 AT_HA2 = cvar.AT_HA2
6652 AT_HA3 = cvar.AT_HA3
6653 AT_CB = cvar.AT_CB
6654 AT_HB = cvar.AT_HB
6655 AT_HB1 = cvar.AT_HB1
6656 AT_HB2 = cvar.AT_HB2
6657 AT_HB3 = cvar.AT_HB3
6658 AT_OXT = cvar.AT_OXT
6659 AT_CH3 = cvar.AT_CH3
6660 AT_CH = cvar.AT_CH
6661 AT_CG = cvar.AT_CG
6662 AT_CG1 = cvar.AT_CG1
6663 AT_CG2 = cvar.AT_CG2
6664 AT_HG = cvar.AT_HG
6665 AT_HG1 = cvar.AT_HG1
6666 AT_HG2 = cvar.AT_HG2
6667 AT_HG3 = cvar.AT_HG3
6668 AT_HG11 = cvar.AT_HG11
6669 AT_HG21 = cvar.AT_HG21
6670 AT_HG31 = cvar.AT_HG31
6671 AT_HG12 = cvar.AT_HG12
6672 AT_HG13 = cvar.AT_HG13
6673 AT_HG22 = cvar.AT_HG22
6674 AT_HG23 = cvar.AT_HG23
6675 AT_HG32 = cvar.AT_HG32
6676 AT_OG = cvar.AT_OG
6677 AT_OG1 = cvar.AT_OG1
6678 AT_SG = cvar.AT_SG
6679 AT_CD = cvar.AT_CD
6680 AT_CD1 = cvar.AT_CD1
6681 AT_CD2 = cvar.AT_CD2
6682 AT_HD = cvar.AT_HD
6683 AT_HD1 = cvar.AT_HD1
6684 AT_HD2 = cvar.AT_HD2
6685 AT_HD3 = cvar.AT_HD3
6686 AT_HD11 = cvar.AT_HD11
6687 AT_HD21 = cvar.AT_HD21
6688 AT_HD31 = cvar.AT_HD31
6689 AT_HD12 = cvar.AT_HD12
6690 AT_HD13 = cvar.AT_HD13
6691 AT_HD22 = cvar.AT_HD22
6692 AT_HD23 = cvar.AT_HD23
6693 AT_HD32 = cvar.AT_HD32
6694 AT_SD = cvar.AT_SD
6695 AT_OD1 = cvar.AT_OD1
6696 AT_OD2 = cvar.AT_OD2
6697 AT_ND1 = cvar.AT_ND1
6698 AT_ND2 = cvar.AT_ND2
6699 AT_CE = cvar.AT_CE
6700 AT_CE1 = cvar.AT_CE1
6701 AT_CE2 = cvar.AT_CE2
6702 AT_CE3 = cvar.AT_CE3
6703 AT_HE = cvar.AT_HE
6704 AT_HE1 = cvar.AT_HE1
6705 AT_HE2 = cvar.AT_HE2
6706 AT_HE3 = cvar.AT_HE3
6707 AT_HE21 = cvar.AT_HE21
6708 AT_HE22 = cvar.AT_HE22
6709 AT_OE1 = cvar.AT_OE1
6710 AT_OE2 = cvar.AT_OE2
6711 AT_NE = cvar.AT_NE
6712 AT_NE1 = cvar.AT_NE1
6713 AT_NE2 = cvar.AT_NE2
6714 AT_CZ = cvar.AT_CZ
6715 AT_CZ2 = cvar.AT_CZ2
6716 AT_CZ3 = cvar.AT_CZ3
6717 AT_NZ = cvar.AT_NZ
6718 AT_HZ = cvar.AT_HZ
6719 AT_HZ1 = cvar.AT_HZ1
6720 AT_HZ2 = cvar.AT_HZ2
6721 AT_HZ3 = cvar.AT_HZ3
6722 AT_CH2 = cvar.AT_CH2
6723 AT_NH1 = cvar.AT_NH1
6724 AT_NH2 = cvar.AT_NH2
6725 AT_OH = cvar.AT_OH
6726 AT_HH = cvar.AT_HH
6727 AT_HH11 = cvar.AT_HH11
6728 AT_HH21 = cvar.AT_HH21
6729 AT_HH2 = cvar.AT_HH2
6730 AT_HH12 = cvar.AT_HH12
6731 AT_HH22 = cvar.AT_HH22
6732 AT_HH13 = cvar.AT_HH13
6733 AT_HH23 = cvar.AT_HH23
6734 AT_HH33 = cvar.AT_HH33
6735 AT_P = cvar.AT_P
6736 AT_OP1 = cvar.AT_OP1
6737 AT_OP2 = cvar.AT_OP2
6738 AT_OP3 = cvar.AT_OP3
6739 AT_O5p = cvar.AT_O5p
6740 AT_C5p = cvar.AT_C5p
6741 AT_H5p = cvar.AT_H5p
6742 AT_H5pp = cvar.AT_H5pp
6743 AT_C4p = cvar.AT_C4p
6744 AT_H4p = cvar.AT_H4p
6745 AT_O4p = cvar.AT_O4p
6746 AT_C1p = cvar.AT_C1p
6747 AT_H1p = cvar.AT_H1p
6748 AT_C3p = cvar.AT_C3p
6749 AT_H3p = cvar.AT_H3p
6750 AT_O3p = cvar.AT_O3p
6751 AT_C2p = cvar.AT_C2p
6752 AT_H2p = cvar.AT_H2p
6753 AT_H2pp = cvar.AT_H2pp
6754 AT_O2p = cvar.AT_O2p
6755 AT_HO2p = cvar.AT_HO2p
6756 AT_N9 = cvar.AT_N9
6757 AT_C8 = cvar.AT_C8
6758 AT_H8 = cvar.AT_H8
6759 AT_N7 = cvar.AT_N7
6760 AT_C5 = cvar.AT_C5
6761 AT_C4 = cvar.AT_C4
6762 AT_N3 = cvar.AT_N3
6763 AT_C2 = cvar.AT_C2
6764 AT_N1 = cvar.AT_N1
6765 AT_C6 = cvar.AT_C6
6766 AT_N6 = cvar.AT_N6
6767 AT_H61 = cvar.AT_H61
6768 AT_H62 = cvar.AT_H62
6769 AT_O6 = cvar.AT_O6
6770 AT_N2 = cvar.AT_N2
6771 AT_NT = cvar.AT_NT
6772 AT_H21 = cvar.AT_H21
6773 AT_H22 = cvar.AT_H22
6774 AT_H6 = cvar.AT_H6
6775 AT_H5 = cvar.AT_H5
6776 AT_O2 = cvar.AT_O2
6777 AT_N4 = cvar.AT_N4
6778 AT_H41 = cvar.AT_H41
6779 AT_H42 = cvar.AT_H42
6780 AT_O4 = cvar.AT_O4
6781 AT_C7 = cvar.AT_C7
6782 AT_H71 = cvar.AT_H71
6783 AT_H72 = cvar.AT_H72
6784 AT_H73 = cvar.AT_H73
6785 AT_O1A = cvar.AT_O1A
6786 AT_O2A = cvar.AT_O2A
6787 AT_O3A = cvar.AT_O3A
6788 AT_O1B = cvar.AT_O1B
6789 AT_O2B = cvar.AT_O2B
6790 AT_O3B = cvar.AT_O3B
6791 
6792 def Atom_setup_particle(*args):
6793  """
6794  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Atom other) -> Atom
6795  setup_particle(_ParticleAdaptor decorator, Atom other) -> Atom
6796  setup_particle(Model m, IMP::kernel::ParticleIndex pi, AtomType atom_type) -> Atom
6797  Atom_setup_particle(_ParticleAdaptor decorator, AtomType atom_type) -> Atom
6798  """
6799  return _IMP_atom.Atom_setup_particle(*args)
6800 
6801 def Atom_get_is_setup(*args):
6802  """
6803  get_is_setup(_ParticleAdaptor p) -> bool
6804  Atom_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
6805  """
6806  return _IMP_atom.Atom_get_is_setup(*args)
6807 
6808 def Atom_get_atom_type_key():
6809  """Atom_get_atom_type_key() -> IntKey"""
6810  return _IMP_atom.Atom_get_atom_type_key()
6811 
6812 def Atom_get_element_key():
6813  """Atom_get_element_key() -> IntKey"""
6814  return _IMP_atom.Atom_get_element_key()
6815 
6816 def Atom_get_input_index_key():
6817  """Atom_get_input_index_key() -> IntKey"""
6818  return _IMP_atom.Atom_get_input_index_key()
6819 
6820 def Atom_get_occupancy_key():
6821  """Atom_get_occupancy_key() -> FloatKey"""
6822  return _IMP_atom.Atom_get_occupancy_key()
6823 
6824 def Atom_get_temperature_factor_key():
6825  """Atom_get_temperature_factor_key() -> FloatKey"""
6826  return _IMP_atom.Atom_get_temperature_factor_key()
6827 
6828 
6829 def get_residue(*args):
6830  """
6831  get_residue(Hierarchy mhd, unsigned int index) -> Hierarchy
6832  get_residue(Atom d, bool nothrow=False) -> Residue
6833  get_residue(Atom d) -> Residue
6834  """
6835  return _IMP_atom.get_residue(*args)
6836 
6837 def get_atom(*args):
6838  """get_atom(Residue rd, AtomType at) -> Atom"""
6839  return _IMP_atom.get_atom(*args)
6840 
6841 def add_atom_type(*args):
6842  """add_atom_type(std::string name, IMP::atom::Element e) -> AtomType"""
6843  return _IMP_atom.add_atom_type(*args)
6844 
6845 def get_element_for_atom_type(*args):
6846  """get_element_for_atom_type(AtomType at) -> IMP::atom::Element"""
6847  return _IMP_atom.get_element_for_atom_type(*args)
6848 
6849 def get_atom_type_exists(*args):
6850  """get_atom_type_exists(std::string name) -> bool"""
6851  return _IMP_atom.get_atom_type_exists(*args)
6852 class Residue(Hierarchy):
6853  """Proxy of C++ IMP::atom::Residue class"""
6854  __swig_setmethods__ = {}
6855  for _s in [Hierarchy]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
6856  __setattr__ = lambda self, name, value: _swig_setattr(self, Residue, name, value)
6857  __swig_getmethods__ = {}
6858  for _s in [Hierarchy]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
6859  __getattr__ = lambda self, name: _swig_getattr(self, Residue, name)
6860  def __init__(self, *args):
6861  """
6862  __init__(IMP::atom::Residue self) -> Residue
6863  __init__(IMP::atom::Residue self, Model m, ::IMP::kernel::ParticleIndex id) -> Residue
6864  __init__(IMP::atom::Residue self, _ParticleAdaptor d) -> Residue
6865  """
6866  this = _IMP_atom.new_Residue(*args)
6867  try: self.this.append(this)
6868  except: self.this = this
6869  def show(self, *args):
6870  """
6871  show(Residue self, _ostream out=std::cout)
6872  show(Residue self)
6873  """
6874  return _IMP_atom.Residue_show(self, *args)
6875 
6876  def setup_particle(*args):
6877  """
6878  setup_particle(Model m, IMP::kernel::ParticleIndex pi, ResidueType t, int index, int insertion_code) -> Residue
6879  setup_particle(_ParticleAdaptor decorator, ResidueType t, int index, int insertion_code) -> Residue
6880  setup_particle(Model m, IMP::kernel::ParticleIndex pi, ResidueType t, int index) -> Residue
6881  setup_particle(_ParticleAdaptor decorator, ResidueType t, int index) -> Residue
6882  setup_particle(Model m, IMP::kernel::ParticleIndex pi, ResidueType t) -> Residue
6883  setup_particle(_ParticleAdaptor decorator, ResidueType t) -> Residue
6884  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Residue other) -> Residue
6885  setup_particle(_ParticleAdaptor decorator, Residue other) -> Residue
6886  """
6887  return _IMP_atom.Residue_setup_particle(*args)
6888 
6889  if _newclass:setup_particle = staticmethod(setup_particle)
6890  __swig_getmethods__["setup_particle"] = lambda x: setup_particle
6891  def get_is_setup(*args):
6892  """
6893  get_is_setup(_ParticleAdaptor p) -> bool
6894  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
6895  """
6896  return _IMP_atom.Residue_get_is_setup(*args)
6897 
6898  if _newclass:get_is_setup = staticmethod(get_is_setup)
6899  __swig_getmethods__["get_is_setup"] = lambda x: get_is_setup
6900  def get_residue_type(self):
6901  """get_residue_type(Residue self) -> ResidueType"""
6902  return _IMP_atom.Residue_get_residue_type(self)
6903 
6904  def set_residue_type(self, *args):
6905  """set_residue_type(Residue self, ResidueType t)"""
6906  return _IMP_atom.Residue_set_residue_type(self, *args)
6907 
6908  def get_is_protein(self):
6909  """get_is_protein(Residue self) -> bool"""
6910  return _IMP_atom.Residue_get_is_protein(self)
6911 
6912  def get_is_dna(self):
6913  """get_is_dna(Residue self) -> bool"""
6914  return _IMP_atom.Residue_get_is_dna(self)
6915 
6916  def get_is_rna(self):
6917  """get_is_rna(Residue self) -> bool"""
6918  return _IMP_atom.Residue_get_is_rna(self)
6919 
6920  def get_index(self):
6921  """get_index(Residue self) -> IMP::Int"""
6922  return _IMP_atom.Residue_get_index(self)
6923 
6924  def set_index(self, *args):
6925  """set_index(Residue self, IMP::Int t)"""
6926  return _IMP_atom.Residue_set_index(self, *args)
6927 
6928  def get_insertion_code(self):
6929  """get_insertion_code(Residue self) -> char"""
6930  return _IMP_atom.Residue_get_insertion_code(self)
6931 
6932  def set_insertion_code(self, *args):
6933  """set_insertion_code(Residue self, char insertion_code)"""
6934  return _IMP_atom.Residue_set_insertion_code(self, *args)
6935 
6936  def get_index_key():
6937  """get_index_key() -> IntKey"""
6938  return _IMP_atom.Residue_get_index_key()
6939 
6940  if _newclass:get_index_key = staticmethod(get_index_key)
6941  __swig_getmethods__["get_index_key"] = lambda x: get_index_key
6942  def get_residue_type_key():
6943  """get_residue_type_key() -> IntKey"""
6944  return _IMP_atom.Residue_get_residue_type_key()
6945 
6946  if _newclass:get_residue_type_key = staticmethod(get_residue_type_key)
6947  __swig_getmethods__["get_residue_type_key"] = lambda x: get_residue_type_key
6948  def get_insertion_code_key():
6949  """get_insertion_code_key() -> IntKey"""
6950  return _IMP_atom.Residue_get_insertion_code_key()
6951 
6952  if _newclass:get_insertion_code_key = staticmethod(get_insertion_code_key)
6953  __swig_getmethods__["get_insertion_code_key"] = lambda x: get_insertion_code_key
6954  def add_attribute(self, *args):
6955  """
6956  add_attribute(Residue self, FloatKey k, IMP::Float v, bool opt)
6957  add_attribute(Residue self, FloatKey a0, IMP::Float a1)
6958  add_attribute(Residue self, IntKey a0, IMP::Int a1)
6959  add_attribute(Residue self, StringKey a0, IMP::String a1)
6960  add_attribute(Residue self, ParticleIndexKey a0, Particle a1)
6961  add_attribute(Residue self, ObjectKey a0, Object a1)
6962  """
6963  return _IMP_atom.Residue_add_attribute(self, *args)
6964 
6965  def get_value(self, *args):
6966  """
6967  get_value(Residue self, FloatKey a0) -> IMP::Float
6968  get_value(Residue self, IntKey a0) -> IMP::Int
6969  get_value(Residue self, StringKey a0) -> IMP::String
6970  get_value(Residue self, ParticleIndexKey a0) -> Particle
6971  get_value(Residue self, ObjectKey a0) -> Object
6972  """
6973  return _IMP_atom.Residue_get_value(self, *args)
6974 
6975  def set_value(self, *args):
6976  """
6977  set_value(Residue self, FloatKey a0, IMP::Float a1)
6978  set_value(Residue self, IntKey a0, IMP::Int a1)
6979  set_value(Residue self, StringKey a0, IMP::String a1)
6980  set_value(Residue self, ParticleIndexKey a0, Particle a1)
6981  set_value(Residue self, ObjectKey a0, Object a1)
6982  """
6983  return _IMP_atom.Residue_set_value(self, *args)
6984 
6985  def remove_attribute(self, *args):
6986  """
6987  remove_attribute(Residue self, FloatKey a0)
6988  remove_attribute(Residue self, IntKey a0)
6989  remove_attribute(Residue self, StringKey a0)
6990  remove_attribute(Residue self, ParticleIndexKey a0)
6991  remove_attribute(Residue self, ObjectKey a0)
6992  """
6993  return _IMP_atom.Residue_remove_attribute(self, *args)
6994 
6995  def has_attribute(self, *args):
6996  """
6997  has_attribute(Residue self, FloatKey a0) -> bool
6998  has_attribute(Residue self, IntKey a0) -> bool
6999  has_attribute(Residue self, StringKey a0) -> bool
7000  has_attribute(Residue self, ParticleIndexKey a0) -> bool
7001  has_attribute(Residue self, ObjectKey a0) -> bool
7002  """
7003  return _IMP_atom.Residue_has_attribute(self, *args)
7004 
7005  def get_derivative(self, *args):
7006  """get_derivative(Residue self, FloatKey a0) -> double"""
7007  return _IMP_atom.Residue_get_derivative(self, *args)
7008 
7009  def get_name(self):
7010  """get_name(Residue self) -> std::string"""
7011  return _IMP_atom.Residue_get_name(self)
7012 
7013  def clear_caches(self):
7014  """clear_caches(Residue self)"""
7015  return _IMP_atom.Residue_clear_caches(self)
7016 
7017  def set_name(self, *args):
7018  """set_name(Residue self, std::string a0)"""
7019  return _IMP_atom.Residue_set_name(self, *args)
7020 
7021  def set_check_level(self, *args):
7022  """set_check_level(Residue self, IMP::base::CheckLevel a0)"""
7023  return _IMP_atom.Residue_set_check_level(self, *args)
7024 
7025  def add_to_derivative(self, *args):
7026  """add_to_derivative(Residue self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7027  return _IMP_atom.Residue_add_to_derivative(self, *args)
7028 
7029  def set_is_optimized(self, *args):
7030  """set_is_optimized(Residue self, FloatKey a0, bool a1)"""
7031  return _IMP_atom.Residue_set_is_optimized(self, *args)
7032 
7033  def get_is_optimized(self, *args):
7034  """get_is_optimized(Residue self, FloatKey a0) -> bool"""
7035  return _IMP_atom.Residue_get_is_optimized(self, *args)
7036 
7037  def get_check_level(self):
7038  """get_check_level(Residue self) -> IMP::base::CheckLevel"""
7039  return _IMP_atom.Residue_get_check_level(self)
7040 
7041  def __eq__(self, *args):
7042  """
7043  __eq__(Residue self, Residue o) -> bool
7044  __eq__(Residue self, Particle d) -> bool
7045  """
7046  return _IMP_atom.Residue___eq__(self, *args)
7047 
7048  def __ne__(self, *args):
7049  """
7050  __ne__(Residue self, Residue o) -> bool
7051  __ne__(Residue self, Particle d) -> bool
7052  """
7053  return _IMP_atom.Residue___ne__(self, *args)
7054 
7055  def __le__(self, *args):
7056  """
7057  __le__(Residue self, Residue o) -> bool
7058  __le__(Residue self, Particle d) -> bool
7059  """
7060  return _IMP_atom.Residue___le__(self, *args)
7061 
7062  def __lt__(self, *args):
7063  """
7064  __lt__(Residue self, Residue o) -> bool
7065  __lt__(Residue self, Particle d) -> bool
7066  """
7067  return _IMP_atom.Residue___lt__(self, *args)
7068 
7069  def __ge__(self, *args):
7070  """
7071  __ge__(Residue self, Residue o) -> bool
7072  __ge__(Residue self, Particle d) -> bool
7073  """
7074  return _IMP_atom.Residue___ge__(self, *args)
7075 
7076  def __gt__(self, *args):
7077  """
7078  __gt__(Residue self, Residue o) -> bool
7079  __gt__(Residue self, Particle d) -> bool
7080  """
7081  return _IMP_atom.Residue___gt__(self, *args)
7082 
7083  def __str__(self):
7084  """__str__(Residue self) -> std::string"""
7085  return _IMP_atom.Residue___str__(self)
7086 
7087  def __repr__(self):
7088  """__repr__(Residue self) -> std::string"""
7089  return _IMP_atom.Residue___repr__(self)
7090 
7091  __swig_destroy__ = _IMP_atom.delete_Residue
7092  __del__ = lambda self : None;
7093 Residue_swigregister = _IMP_atom.Residue_swigregister
7094 Residue_swigregister(Residue)
7095 UNK = cvar.UNK
7096 GLY = cvar.GLY
7097 ALA = cvar.ALA
7098 VAL = cvar.VAL
7099 LEU = cvar.LEU
7100 ILE = cvar.ILE
7101 SER = cvar.SER
7102 THR = cvar.THR
7103 CYS = cvar.CYS
7104 MET = cvar.MET
7105 PRO = cvar.PRO
7106 ASP = cvar.ASP
7107 ASN = cvar.ASN
7108 GLU = cvar.GLU
7109 GLN = cvar.GLN
7110 LYS = cvar.LYS
7111 ARG = cvar.ARG
7112 HIS = cvar.HIS
7113 PHE = cvar.PHE
7114 TYR = cvar.TYR
7115 TRP = cvar.TRP
7116 ACE = cvar.ACE
7117 NH2 = cvar.NH2
7118 ADE = cvar.ADE
7119 URA = cvar.URA
7120 CYT = cvar.CYT
7121 GUA = cvar.GUA
7122 THY = cvar.THY
7123 DADE = cvar.DADE
7124 DURA = cvar.DURA
7125 DCYT = cvar.DCYT
7126 DGUA = cvar.DGUA
7127 DTHY = cvar.DTHY
7128 HOH = cvar.HOH
7129 HEME = cvar.HEME
7130 
7131 def Residue_setup_particle(*args):
7132  """
7133  setup_particle(Model m, IMP::kernel::ParticleIndex pi, ResidueType t, int index, int insertion_code) -> Residue
7134  setup_particle(_ParticleAdaptor decorator, ResidueType t, int index, int insertion_code) -> Residue
7135  setup_particle(Model m, IMP::kernel::ParticleIndex pi, ResidueType t, int index) -> Residue
7136  setup_particle(_ParticleAdaptor decorator, ResidueType t, int index) -> Residue
7137  setup_particle(Model m, IMP::kernel::ParticleIndex pi, ResidueType t) -> Residue
7138  setup_particle(_ParticleAdaptor decorator, ResidueType t) -> Residue
7139  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Residue other) -> Residue
7140  Residue_setup_particle(_ParticleAdaptor decorator, Residue other) -> Residue
7141  """
7142  return _IMP_atom.Residue_setup_particle(*args)
7143 
7144 def Residue_get_is_setup(*args):
7145  """
7146  get_is_setup(_ParticleAdaptor p) -> bool
7147  Residue_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
7148  """
7149  return _IMP_atom.Residue_get_is_setup(*args)
7150 
7151 def Residue_get_index_key():
7152  """Residue_get_index_key() -> IntKey"""
7153  return _IMP_atom.Residue_get_index_key()
7154 
7155 def Residue_get_residue_type_key():
7156  """Residue_get_residue_type_key() -> IntKey"""
7157  return _IMP_atom.Residue_get_residue_type_key()
7158 
7159 def Residue_get_insertion_code_key():
7160  """Residue_get_insertion_code_key() -> IntKey"""
7161  return _IMP_atom.Residue_get_insertion_code_key()
7162 
7163 
7164 def get_next_residue(*args):
7165  """get_next_residue(Residue rd) -> Hierarchy"""
7166  return _IMP_atom.get_next_residue(*args)
7167 
7168 def get_previous_residue(*args):
7169  """get_previous_residue(Residue rd) -> Hierarchy"""
7170  return _IMP_atom.get_previous_residue(*args)
7171 
7172 def get_one_letter_code(*args):
7173  """get_one_letter_code(ResidueType c) -> char"""
7174  return _IMP_atom.get_one_letter_code(*args)
7175 BALLS = _IMP_atom.BALLS
7176 GAUSSIANS = _IMP_atom.GAUSSIANS
7177 class Representation(Hierarchy):
7178  """Proxy of C++ IMP::atom::Representation class"""
7179  __swig_setmethods__ = {}
7180  for _s in [Hierarchy]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
7181  __setattr__ = lambda self, name, value: _swig_setattr(self, Representation, name, value)
7182  __swig_getmethods__ = {}
7183  for _s in [Hierarchy]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
7184  __getattr__ = lambda self, name: _swig_getattr(self, Representation, name)
7185  def setup_particle(*args):
7186  """
7187  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> Representation
7188  setup_particle(_ParticleAdaptor decorator) -> Representation
7189  setup_particle(Model m, IMP::kernel::ParticleIndex pi, double resolution) -> Representation
7190  setup_particle(_ParticleAdaptor decorator, double resolution) -> Representation
7191  """
7192  return _IMP_atom.Representation_setup_particle(*args)
7193 
7194  if _newclass:setup_particle = staticmethod(setup_particle)
7195  __swig_getmethods__["setup_particle"] = lambda x: setup_particle
7196  def __init__(self, *args):
7197  """
7198  __init__(IMP::atom::Representation self) -> Representation
7199  __init__(IMP::atom::Representation self, Model m, ::IMP::kernel::ParticleIndex id) -> Representation
7200  __init__(IMP::atom::Representation self, _ParticleAdaptor d) -> Representation
7201  """
7202  this = _IMP_atom.new_Representation(*args)
7203  try: self.this.append(this)
7204  except: self.this = this
7205  def show(self, *args):
7206  """
7207  show(Representation self, _ostream out=std::cout)
7208  show(Representation self)
7209  """
7210  return _IMP_atom.Representation_show(self, *args)
7211 
7212  def get_is_setup(*args):
7213  """
7214  get_is_setup(_ParticleAdaptor p) -> bool
7215  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
7216  """
7217  return _IMP_atom.Representation_get_is_setup(*args)
7218 
7219  if _newclass:get_is_setup = staticmethod(get_is_setup)
7220  __swig_getmethods__["get_is_setup"] = lambda x: get_is_setup
7221  def get_representation(self, *args):
7222  """
7223  get_representation(Representation self, double resolution, IMP::atom::RepresentationType type=BALLS) -> Hierarchy
7224  get_representation(Representation self, double resolution) -> Hierarchy
7225  """
7226  return _IMP_atom.Representation_get_representation(self, *args)
7227 
7228  def get_representations(self, *args):
7229  """
7230  get_representations(Representation self, IMP::atom::RepresentationType type=BALLS) -> IMP::atom::Hierarchies
7231  get_representations(Representation self) -> IMP::atom::Hierarchies
7232  """
7233  return _IMP_atom.Representation_get_representations(self, *args)
7234 
7235  def add_representation(self, *args):
7236  """
7237  add_representation(Representation self, _ParticleIndexAdaptor rep, IMP::atom::RepresentationType type=BALLS, double resolution=-1)
7238  add_representation(Representation self, _ParticleIndexAdaptor rep, IMP::atom::RepresentationType type=BALLS)
7239  add_representation(Representation self, _ParticleIndexAdaptor rep)
7240  """
7241  return _IMP_atom.Representation_add_representation(self, *args)
7242 
7243  def get_resolutions(self, *args):
7244  """
7245  get_resolutions(Representation self, IMP::atom::RepresentationType type=BALLS) -> IMP::Floats
7246  get_resolutions(Representation self) -> IMP::Floats
7247  """
7248  return _IMP_atom.Representation_get_resolutions(self, *args)
7249 
7250  def add_attribute(self, *args):
7251  """
7252  add_attribute(Representation self, FloatKey k, IMP::Float v, bool opt)
7253  add_attribute(Representation self, FloatKey a0, IMP::Float a1)
7254  add_attribute(Representation self, IntKey a0, IMP::Int a1)
7255  add_attribute(Representation self, StringKey a0, IMP::String a1)
7256  add_attribute(Representation self, ParticleIndexKey a0, Particle a1)
7257  add_attribute(Representation self, ObjectKey a0, Object a1)
7258  """
7259  return _IMP_atom.Representation_add_attribute(self, *args)
7260 
7261  def get_value(self, *args):
7262  """
7263  get_value(Representation self, FloatKey a0) -> IMP::Float
7264  get_value(Representation self, IntKey a0) -> IMP::Int
7265  get_value(Representation self, StringKey a0) -> IMP::String
7266  get_value(Representation self, ParticleIndexKey a0) -> Particle
7267  get_value(Representation self, ObjectKey a0) -> Object
7268  """
7269  return _IMP_atom.Representation_get_value(self, *args)
7270 
7271  def set_value(self, *args):
7272  """
7273  set_value(Representation self, FloatKey a0, IMP::Float a1)
7274  set_value(Representation self, IntKey a0, IMP::Int a1)
7275  set_value(Representation self, StringKey a0, IMP::String a1)
7276  set_value(Representation self, ParticleIndexKey a0, Particle a1)
7277  set_value(Representation self, ObjectKey a0, Object a1)
7278  """
7279  return _IMP_atom.Representation_set_value(self, *args)
7280 
7281  def remove_attribute(self, *args):
7282  """
7283  remove_attribute(Representation self, FloatKey a0)
7284  remove_attribute(Representation self, IntKey a0)
7285  remove_attribute(Representation self, StringKey a0)
7286  remove_attribute(Representation self, ParticleIndexKey a0)
7287  remove_attribute(Representation self, ObjectKey a0)
7288  """
7289  return _IMP_atom.Representation_remove_attribute(self, *args)
7290 
7291  def has_attribute(self, *args):
7292  """
7293  has_attribute(Representation self, FloatKey a0) -> bool
7294  has_attribute(Representation self, IntKey a0) -> bool
7295  has_attribute(Representation self, StringKey a0) -> bool
7296  has_attribute(Representation self, ParticleIndexKey a0) -> bool
7297  has_attribute(Representation self, ObjectKey a0) -> bool
7298  """
7299  return _IMP_atom.Representation_has_attribute(self, *args)
7300 
7301  def get_derivative(self, *args):
7302  """get_derivative(Representation self, FloatKey a0) -> double"""
7303  return _IMP_atom.Representation_get_derivative(self, *args)
7304 
7305  def get_name(self):
7306  """get_name(Representation self) -> std::string"""
7307  return _IMP_atom.Representation_get_name(self)
7308 
7309  def clear_caches(self):
7310  """clear_caches(Representation self)"""
7311  return _IMP_atom.Representation_clear_caches(self)
7312 
7313  def set_name(self, *args):
7314  """set_name(Representation self, std::string a0)"""
7315  return _IMP_atom.Representation_set_name(self, *args)
7316 
7317  def set_check_level(self, *args):
7318  """set_check_level(Representation self, IMP::base::CheckLevel a0)"""
7319  return _IMP_atom.Representation_set_check_level(self, *args)
7320 
7321  def add_to_derivative(self, *args):
7322  """add_to_derivative(Representation self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7323  return _IMP_atom.Representation_add_to_derivative(self, *args)
7324 
7325  def set_is_optimized(self, *args):
7326  """set_is_optimized(Representation self, FloatKey a0, bool a1)"""
7327  return _IMP_atom.Representation_set_is_optimized(self, *args)
7328 
7329  def get_is_optimized(self, *args):
7330  """get_is_optimized(Representation self, FloatKey a0) -> bool"""
7331  return _IMP_atom.Representation_get_is_optimized(self, *args)
7332 
7333  def get_check_level(self):
7334  """get_check_level(Representation self) -> IMP::base::CheckLevel"""
7335  return _IMP_atom.Representation_get_check_level(self)
7336 
7337  def __eq__(self, *args):
7338  """
7339  __eq__(Representation self, Representation o) -> bool
7340  __eq__(Representation self, Particle d) -> bool
7341  """
7342  return _IMP_atom.Representation___eq__(self, *args)
7343 
7344  def __ne__(self, *args):
7345  """
7346  __ne__(Representation self, Representation o) -> bool
7347  __ne__(Representation self, Particle d) -> bool
7348  """
7349  return _IMP_atom.Representation___ne__(self, *args)
7350 
7351  def __le__(self, *args):
7352  """
7353  __le__(Representation self, Representation o) -> bool
7354  __le__(Representation self, Particle d) -> bool
7355  """
7356  return _IMP_atom.Representation___le__(self, *args)
7357 
7358  def __lt__(self, *args):
7359  """
7360  __lt__(Representation self, Representation o) -> bool
7361  __lt__(Representation self, Particle d) -> bool
7362  """
7363  return _IMP_atom.Representation___lt__(self, *args)
7364 
7365  def __ge__(self, *args):
7366  """
7367  __ge__(Representation self, Representation o) -> bool
7368  __ge__(Representation self, Particle d) -> bool
7369  """
7370  return _IMP_atom.Representation___ge__(self, *args)
7371 
7372  def __gt__(self, *args):
7373  """
7374  __gt__(Representation self, Representation o) -> bool
7375  __gt__(Representation self, Particle d) -> bool
7376  """
7377  return _IMP_atom.Representation___gt__(self, *args)
7378 
7379  def __str__(self):
7380  """__str__(Representation self) -> std::string"""
7381  return _IMP_atom.Representation___str__(self)
7382 
7383  def __repr__(self):
7384  """__repr__(Representation self) -> std::string"""
7385  return _IMP_atom.Representation___repr__(self)
7386 
7387  __swig_destroy__ = _IMP_atom.delete_Representation
7388  __del__ = lambda self : None;
7389 Representation_swigregister = _IMP_atom.Representation_swigregister
7390 Representation_swigregister(Representation)
7391 ALL_RESOLUTIONS = cvar.ALL_RESOLUTIONS
7392 
7393 def Representation_setup_particle(*args):
7394  """
7395  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> Representation
7396  setup_particle(_ParticleAdaptor decorator) -> Representation
7397  setup_particle(Model m, IMP::kernel::ParticleIndex pi, double resolution) -> Representation
7398  Representation_setup_particle(_ParticleAdaptor decorator, double resolution) -> Representation
7399  """
7400  return _IMP_atom.Representation_setup_particle(*args)
7401 
7402 def Representation_get_is_setup(*args):
7403  """
7404  get_is_setup(_ParticleAdaptor p) -> bool
7405  Representation_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
7406  """
7407  return _IMP_atom.Representation_get_is_setup(*args)
7408 
7409 
7410 def get_resolution(*args):
7411  """
7412  get_resolution(Model m, IMP::kernel::ParticleIndex pi) -> double
7413  get_resolution(Hierarchy h) -> double
7414  """
7415  return _IMP_atom.get_resolution(*args)
7416 class State(Hierarchy):
7417  """Proxy of C++ IMP::atom::State class"""
7418  __swig_setmethods__ = {}
7419  for _s in [Hierarchy]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
7420  __setattr__ = lambda self, name, value: _swig_setattr(self, State, name, value)
7421  __swig_getmethods__ = {}
7422  for _s in [Hierarchy]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
7423  __getattr__ = lambda self, name: _swig_getattr(self, State, name)
7424  def setup_particle(*args):
7425  """
7426  setup_particle(Model m, IMP::kernel::ParticleIndex pi, unsigned int index) -> State
7427  setup_particle(_ParticleAdaptor decorator, unsigned int index) -> State
7428  """
7429  return _IMP_atom.State_setup_particle(*args)
7430 
7431  if _newclass:setup_particle = staticmethod(setup_particle)
7432  __swig_getmethods__["setup_particle"] = lambda x: setup_particle
7433  def __init__(self, *args):
7434  """
7435  __init__(IMP::atom::State self) -> State
7436  __init__(IMP::atom::State self, Model m, ::IMP::kernel::ParticleIndex id) -> State
7437  __init__(IMP::atom::State self, _ParticleAdaptor d) -> State
7438  """
7439  this = _IMP_atom.new_State(*args)
7440  try: self.this.append(this)
7441  except: self.this = this
7442  def show(self, *args):
7443  """
7444  show(State self, _ostream out=std::cout)
7445  show(State self)
7446  """
7447  return _IMP_atom.State_show(self, *args)
7448 
7449  def get_is_setup(*args):
7450  """
7451  get_is_setup(_ParticleAdaptor p) -> bool
7452  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
7453  """
7454  return _IMP_atom.State_get_is_setup(*args)
7455 
7456  if _newclass:get_is_setup = staticmethod(get_is_setup)
7457  __swig_getmethods__["get_is_setup"] = lambda x: get_is_setup
7458  def get_state_index(self):
7459  """get_state_index(State self) -> unsigned int"""
7460  return _IMP_atom.State_get_state_index(self)
7461 
7462  def add_attribute(self, *args):
7463  """
7464  add_attribute(State self, FloatKey k, IMP::Float v, bool opt)
7465  add_attribute(State self, FloatKey a0, IMP::Float a1)
7466  add_attribute(State self, IntKey a0, IMP::Int a1)
7467  add_attribute(State self, StringKey a0, IMP::String a1)
7468  add_attribute(State self, ParticleIndexKey a0, Particle a1)
7469  add_attribute(State self, ObjectKey a0, Object a1)
7470  """
7471  return _IMP_atom.State_add_attribute(self, *args)
7472 
7473  def get_value(self, *args):
7474  """
7475  get_value(State self, FloatKey a0) -> IMP::Float
7476  get_value(State self, IntKey a0) -> IMP::Int
7477  get_value(State self, StringKey a0) -> IMP::String
7478  get_value(State self, ParticleIndexKey a0) -> Particle
7479  get_value(State self, ObjectKey a0) -> Object
7480  """
7481  return _IMP_atom.State_get_value(self, *args)
7482 
7483  def set_value(self, *args):
7484  """
7485  set_value(State self, FloatKey a0, IMP::Float a1)
7486  set_value(State self, IntKey a0, IMP::Int a1)
7487  set_value(State self, StringKey a0, IMP::String a1)
7488  set_value(State self, ParticleIndexKey a0, Particle a1)
7489  set_value(State self, ObjectKey a0, Object a1)
7490  """
7491  return _IMP_atom.State_set_value(self, *args)
7492 
7493  def remove_attribute(self, *args):
7494  """
7495  remove_attribute(State self, FloatKey a0)
7496  remove_attribute(State self, IntKey a0)
7497  remove_attribute(State self, StringKey a0)
7498  remove_attribute(State self, ParticleIndexKey a0)
7499  remove_attribute(State self, ObjectKey a0)
7500  """
7501  return _IMP_atom.State_remove_attribute(self, *args)
7502 
7503  def has_attribute(self, *args):
7504  """
7505  has_attribute(State self, FloatKey a0) -> bool
7506  has_attribute(State self, IntKey a0) -> bool
7507  has_attribute(State self, StringKey a0) -> bool
7508  has_attribute(State self, ParticleIndexKey a0) -> bool
7509  has_attribute(State self, ObjectKey a0) -> bool
7510  """
7511  return _IMP_atom.State_has_attribute(self, *args)
7512 
7513  def get_derivative(self, *args):
7514  """get_derivative(State self, FloatKey a0) -> double"""
7515  return _IMP_atom.State_get_derivative(self, *args)
7516 
7517  def get_name(self):
7518  """get_name(State self) -> std::string"""
7519  return _IMP_atom.State_get_name(self)
7520 
7521  def clear_caches(self):
7522  """clear_caches(State self)"""
7523  return _IMP_atom.State_clear_caches(self)
7524 
7525  def set_name(self, *args):
7526  """set_name(State self, std::string a0)"""
7527  return _IMP_atom.State_set_name(self, *args)
7528 
7529  def set_check_level(self, *args):
7530  """set_check_level(State self, IMP::base::CheckLevel a0)"""
7531  return _IMP_atom.State_set_check_level(self, *args)
7532 
7533  def add_to_derivative(self, *args):
7534  """add_to_derivative(State self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7535  return _IMP_atom.State_add_to_derivative(self, *args)
7536 
7537  def set_is_optimized(self, *args):
7538  """set_is_optimized(State self, FloatKey a0, bool a1)"""
7539  return _IMP_atom.State_set_is_optimized(self, *args)
7540 
7541  def get_is_optimized(self, *args):
7542  """get_is_optimized(State self, FloatKey a0) -> bool"""
7543  return _IMP_atom.State_get_is_optimized(self, *args)
7544 
7545  def get_check_level(self):
7546  """get_check_level(State self) -> IMP::base::CheckLevel"""
7547  return _IMP_atom.State_get_check_level(self)
7548 
7549  def __eq__(self, *args):
7550  """
7551  __eq__(State self, State o) -> bool
7552  __eq__(State self, Particle d) -> bool
7553  """
7554  return _IMP_atom.State___eq__(self, *args)
7555 
7556  def __ne__(self, *args):
7557  """
7558  __ne__(State self, State o) -> bool
7559  __ne__(State self, Particle d) -> bool
7560  """
7561  return _IMP_atom.State___ne__(self, *args)
7562 
7563  def __le__(self, *args):
7564  """
7565  __le__(State self, State o) -> bool
7566  __le__(State self, Particle d) -> bool
7567  """
7568  return _IMP_atom.State___le__(self, *args)
7569 
7570  def __lt__(self, *args):
7571  """
7572  __lt__(State self, State o) -> bool
7573  __lt__(State self, Particle d) -> bool
7574  """
7575  return _IMP_atom.State___lt__(self, *args)
7576 
7577  def __ge__(self, *args):
7578  """
7579  __ge__(State self, State o) -> bool
7580  __ge__(State self, Particle d) -> bool
7581  """
7582  return _IMP_atom.State___ge__(self, *args)
7583 
7584  def __gt__(self, *args):
7585  """
7586  __gt__(State self, State o) -> bool
7587  __gt__(State self, Particle d) -> bool
7588  """
7589  return _IMP_atom.State___gt__(self, *args)
7590 
7591  def __str__(self):
7592  """__str__(State self) -> std::string"""
7593  return _IMP_atom.State___str__(self)
7594 
7595  def __repr__(self):
7596  """__repr__(State self) -> std::string"""
7597  return _IMP_atom.State___repr__(self)
7598 
7599  __swig_destroy__ = _IMP_atom.delete_State
7600  __del__ = lambda self : None;
7601 State_swigregister = _IMP_atom.State_swigregister
7602 State_swigregister(State)
7603 
7604 def State_setup_particle(*args):
7605  """
7606  setup_particle(Model m, IMP::kernel::ParticleIndex pi, unsigned int index) -> State
7607  State_setup_particle(_ParticleAdaptor decorator, unsigned int index) -> State
7608  """
7609  return _IMP_atom.State_setup_particle(*args)
7610 
7611 def State_get_is_setup(*args):
7612  """
7613  get_is_setup(_ParticleAdaptor p) -> bool
7614  State_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
7615  """
7616  return _IMP_atom.State_get_is_setup(*args)
7617 
7618 
7619 def get_state_index(*args):
7620  """get_state_index(Hierarchy h) -> int"""
7621  return _IMP_atom.get_state_index(*args)
7622 
7623 def get_phi_dihedral_atoms(*args):
7624  """get_phi_dihedral_atoms(Residue rd) -> IMP::atom::Atoms"""
7625  return _IMP_atom.get_phi_dihedral_atoms(*args)
7626 
7627 def get_psi_dihedral_atoms(*args):
7628  """get_psi_dihedral_atoms(Residue rd) -> IMP::atom::Atoms"""
7629  return _IMP_atom.get_psi_dihedral_atoms(*args)
7630 class Molecule(Hierarchy):
7631  """Proxy of C++ IMP::atom::Molecule class"""
7632  __swig_setmethods__ = {}
7633  for _s in [Hierarchy]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
7634  __setattr__ = lambda self, name, value: _swig_setattr(self, Molecule, name, value)
7635  __swig_getmethods__ = {}
7636  for _s in [Hierarchy]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
7637  __getattr__ = lambda self, name: _swig_getattr(self, Molecule, name)
7638  def __init__(self, *args):
7639  """
7640  __init__(IMP::atom::Molecule self) -> Molecule
7641  __init__(IMP::atom::Molecule self, Model m, ::IMP::kernel::ParticleIndex id) -> Molecule
7642  __init__(IMP::atom::Molecule self, _ParticleAdaptor d) -> Molecule
7643  """
7644  this = _IMP_atom.new_Molecule(*args)
7645  try: self.this.append(this)
7646  except: self.this = this
7647  def show(self, *args):
7648  """
7649  show(Molecule self, _ostream out=std::cout)
7650  show(Molecule self)
7651  """
7652  return _IMP_atom.Molecule_show(self, *args)
7653 
7654  def setup_particle(*args):
7655  """
7656  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> Molecule
7657  setup_particle(_ParticleAdaptor decorator) -> Molecule
7658  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Molecule other) -> Molecule
7659  setup_particle(_ParticleAdaptor decorator, Molecule other) -> Molecule
7660  """
7661  return _IMP_atom.Molecule_setup_particle(*args)
7662 
7663  if _newclass:setup_particle = staticmethod(setup_particle)
7664  __swig_getmethods__["setup_particle"] = lambda x: setup_particle
7665  def get_is_setup(*args):
7666  """
7667  get_is_setup(_ParticleAdaptor p) -> bool
7668  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
7669  """
7670  return _IMP_atom.Molecule_get_is_setup(*args)
7671 
7672  if _newclass:get_is_setup = staticmethod(get_is_setup)
7673  __swig_getmethods__["get_is_setup"] = lambda x: get_is_setup
7674  def add_attribute(self, *args):
7675  """
7676  add_attribute(Molecule self, FloatKey k, IMP::Float v, bool opt)
7677  add_attribute(Molecule self, FloatKey a0, IMP::Float a1)
7678  add_attribute(Molecule self, IntKey a0, IMP::Int a1)
7679  add_attribute(Molecule self, StringKey a0, IMP::String a1)
7680  add_attribute(Molecule self, ParticleIndexKey a0, Particle a1)
7681  add_attribute(Molecule self, ObjectKey a0, Object a1)
7682  """
7683  return _IMP_atom.Molecule_add_attribute(self, *args)
7684 
7685  def get_value(self, *args):
7686  """
7687  get_value(Molecule self, FloatKey a0) -> IMP::Float
7688  get_value(Molecule self, IntKey a0) -> IMP::Int
7689  get_value(Molecule self, StringKey a0) -> IMP::String
7690  get_value(Molecule self, ParticleIndexKey a0) -> Particle
7691  get_value(Molecule self, ObjectKey a0) -> Object
7692  """
7693  return _IMP_atom.Molecule_get_value(self, *args)
7694 
7695  def set_value(self, *args):
7696  """
7697  set_value(Molecule self, FloatKey a0, IMP::Float a1)
7698  set_value(Molecule self, IntKey a0, IMP::Int a1)
7699  set_value(Molecule self, StringKey a0, IMP::String a1)
7700  set_value(Molecule self, ParticleIndexKey a0, Particle a1)
7701  set_value(Molecule self, ObjectKey a0, Object a1)
7702  """
7703  return _IMP_atom.Molecule_set_value(self, *args)
7704 
7705  def remove_attribute(self, *args):
7706  """
7707  remove_attribute(Molecule self, FloatKey a0)
7708  remove_attribute(Molecule self, IntKey a0)
7709  remove_attribute(Molecule self, StringKey a0)
7710  remove_attribute(Molecule self, ParticleIndexKey a0)
7711  remove_attribute(Molecule self, ObjectKey a0)
7712  """
7713  return _IMP_atom.Molecule_remove_attribute(self, *args)
7714 
7715  def has_attribute(self, *args):
7716  """
7717  has_attribute(Molecule self, FloatKey a0) -> bool
7718  has_attribute(Molecule self, IntKey a0) -> bool
7719  has_attribute(Molecule self, StringKey a0) -> bool
7720  has_attribute(Molecule self, ParticleIndexKey a0) -> bool
7721  has_attribute(Molecule self, ObjectKey a0) -> bool
7722  """
7723  return _IMP_atom.Molecule_has_attribute(self, *args)
7724 
7725  def get_derivative(self, *args):
7726  """get_derivative(Molecule self, FloatKey a0) -> double"""
7727  return _IMP_atom.Molecule_get_derivative(self, *args)
7728 
7729  def get_name(self):
7730  """get_name(Molecule self) -> std::string"""
7731  return _IMP_atom.Molecule_get_name(self)
7732 
7733  def clear_caches(self):
7734  """clear_caches(Molecule self)"""
7735  return _IMP_atom.Molecule_clear_caches(self)
7736 
7737  def set_name(self, *args):
7738  """set_name(Molecule self, std::string a0)"""
7739  return _IMP_atom.Molecule_set_name(self, *args)
7740 
7741  def set_check_level(self, *args):
7742  """set_check_level(Molecule self, IMP::base::CheckLevel a0)"""
7743  return _IMP_atom.Molecule_set_check_level(self, *args)
7744 
7745  def add_to_derivative(self, *args):
7746  """add_to_derivative(Molecule self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7747  return _IMP_atom.Molecule_add_to_derivative(self, *args)
7748 
7749  def set_is_optimized(self, *args):
7750  """set_is_optimized(Molecule self, FloatKey a0, bool a1)"""
7751  return _IMP_atom.Molecule_set_is_optimized(self, *args)
7752 
7753  def get_is_optimized(self, *args):
7754  """get_is_optimized(Molecule self, FloatKey a0) -> bool"""
7755  return _IMP_atom.Molecule_get_is_optimized(self, *args)
7756 
7757  def get_check_level(self):
7758  """get_check_level(Molecule self) -> IMP::base::CheckLevel"""
7759  return _IMP_atom.Molecule_get_check_level(self)
7760 
7761  def __eq__(self, *args):
7762  """
7763  __eq__(Molecule self, Molecule o) -> bool
7764  __eq__(Molecule self, Particle d) -> bool
7765  """
7766  return _IMP_atom.Molecule___eq__(self, *args)
7767 
7768  def __ne__(self, *args):
7769  """
7770  __ne__(Molecule self, Molecule o) -> bool
7771  __ne__(Molecule self, Particle d) -> bool
7772  """
7773  return _IMP_atom.Molecule___ne__(self, *args)
7774 
7775  def __le__(self, *args):
7776  """
7777  __le__(Molecule self, Molecule o) -> bool
7778  __le__(Molecule self, Particle d) -> bool
7779  """
7780  return _IMP_atom.Molecule___le__(self, *args)
7781 
7782  def __lt__(self, *args):
7783  """
7784  __lt__(Molecule self, Molecule o) -> bool
7785  __lt__(Molecule self, Particle d) -> bool
7786  """
7787  return _IMP_atom.Molecule___lt__(self, *args)
7788 
7789  def __ge__(self, *args):
7790  """
7791  __ge__(Molecule self, Molecule o) -> bool
7792  __ge__(Molecule self, Particle d) -> bool
7793  """
7794  return _IMP_atom.Molecule___ge__(self, *args)
7795 
7796  def __gt__(self, *args):
7797  """
7798  __gt__(Molecule self, Molecule o) -> bool
7799  __gt__(Molecule self, Particle d) -> bool
7800  """
7801  return _IMP_atom.Molecule___gt__(self, *args)
7802 
7803  def __str__(self):
7804  """__str__(Molecule self) -> std::string"""
7805  return _IMP_atom.Molecule___str__(self)
7806 
7807  def __repr__(self):
7808  """__repr__(Molecule self) -> std::string"""
7809  return _IMP_atom.Molecule___repr__(self)
7810 
7811  __swig_destroy__ = _IMP_atom.delete_Molecule
7812  __del__ = lambda self : None;
7813 Molecule_swigregister = _IMP_atom.Molecule_swigregister
7814 Molecule_swigregister(Molecule)
7815 
7816 def Molecule_setup_particle(*args):
7817  """
7818  setup_particle(Model m, IMP::kernel::ParticleIndex pi) -> Molecule
7819  setup_particle(_ParticleAdaptor decorator) -> Molecule
7820  setup_particle(Model m, IMP::kernel::ParticleIndex pi, Molecule other) -> Molecule
7821  Molecule_setup_particle(_ParticleAdaptor decorator, Molecule other) -> Molecule
7822  """
7823  return _IMP_atom.Molecule_setup_particle(*args)
7824 
7825 def Molecule_get_is_setup(*args):
7826  """
7827  get_is_setup(_ParticleAdaptor p) -> bool
7828  Molecule_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
7829  """
7830  return _IMP_atom.Molecule_get_is_setup(*args)
7831 
7832 
7833 def get_molecule_name(*args):
7834  """get_molecule_name(Hierarchy h) -> std::string"""
7835  return _IMP_atom.get_molecule_name(*args)
7836 class Copy(Molecule):
7837  """Proxy of C++ IMP::atom::Copy class"""
7838  __swig_setmethods__ = {}
7839  for _s in [Molecule]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
7840  __setattr__ = lambda self, name, value: _swig_setattr(self, Copy, name, value)
7841  __swig_getmethods__ = {}
7842  for _s in [Molecule]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
7843  __getattr__ = lambda self, name: _swig_getattr(self, Copy, name)
7844  def get_copy_index_key():
7845  """get_copy_index_key() -> IntKey"""
7846  return _IMP_atom.Copy_get_copy_index_key()
7847 
7848  if _newclass:get_copy_index_key = staticmethod(get_copy_index_key)
7849  __swig_getmethods__["get_copy_index_key"] = lambda x: get_copy_index_key
7850  def __init__(self, *args):
7851  """
7852  __init__(IMP::atom::Copy self) -> Copy
7853  __init__(IMP::atom::Copy self, Model m, ::IMP::kernel::ParticleIndex id) -> Copy
7854  __init__(IMP::atom::Copy self, _ParticleAdaptor d) -> Copy
7855  """
7856  this = _IMP_atom.new_Copy(*args)
7857  try: self.this.append(this)
7858  except: self.this = this
7859  def show(self, *args):
7860  """
7861  show(Copy self, _ostream out=std::cout)
7862  show(Copy self)
7863  """
7864  return _IMP_atom.Copy_show(self, *args)
7865 
7866  def setup_particle(*args):
7867  """
7868  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Int number) -> Copy
7869  setup_particle(_ParticleAdaptor decorator, IMP::Int number) -> Copy
7870  """
7871  return _IMP_atom.Copy_setup_particle(*args)
7872 
7873  if _newclass:setup_particle = staticmethod(setup_particle)
7874  __swig_getmethods__["setup_particle"] = lambda x: setup_particle
7875  def get_is_setup(*args):
7876  """
7877  get_is_setup(_ParticleAdaptor p) -> bool
7878  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
7879  """
7880  return _IMP_atom.Copy_get_is_setup(*args)
7881 
7882  if _newclass:get_is_setup = staticmethod(get_is_setup)
7883  __swig_getmethods__["get_is_setup"] = lambda x: get_is_setup
7884  def get_copy_index(self):
7885  """get_copy_index(Copy self) -> int"""
7886  return _IMP_atom.Copy_get_copy_index(self)
7887 
7888  def add_attribute(self, *args):
7889  """
7890  add_attribute(Copy self, FloatKey k, IMP::Float v, bool opt)
7891  add_attribute(Copy self, FloatKey a0, IMP::Float a1)
7892  add_attribute(Copy self, IntKey a0, IMP::Int a1)
7893  add_attribute(Copy self, StringKey a0, IMP::String a1)
7894  add_attribute(Copy self, ParticleIndexKey a0, Particle a1)
7895  add_attribute(Copy self, ObjectKey a0, Object a1)
7896  """
7897  return _IMP_atom.Copy_add_attribute(self, *args)
7898 
7899  def get_value(self, *args):
7900  """
7901  get_value(Copy self, FloatKey a0) -> IMP::Float
7902  get_value(Copy self, IntKey a0) -> IMP::Int
7903  get_value(Copy self, StringKey a0) -> IMP::String
7904  get_value(Copy self, ParticleIndexKey a0) -> Particle
7905  get_value(Copy self, ObjectKey a0) -> Object
7906  """
7907  return _IMP_atom.Copy_get_value(self, *args)
7908 
7909  def set_value(self, *args):
7910  """
7911  set_value(Copy self, FloatKey a0, IMP::Float a1)
7912  set_value(Copy self, IntKey a0, IMP::Int a1)
7913  set_value(Copy self, StringKey a0, IMP::String a1)
7914  set_value(Copy self, ParticleIndexKey a0, Particle a1)
7915  set_value(Copy self, ObjectKey a0, Object a1)
7916  """
7917  return _IMP_atom.Copy_set_value(self, *args)
7918 
7919  def remove_attribute(self, *args):
7920  """
7921  remove_attribute(Copy self, FloatKey a0)
7922  remove_attribute(Copy self, IntKey a0)
7923  remove_attribute(Copy self, StringKey a0)
7924  remove_attribute(Copy self, ParticleIndexKey a0)
7925  remove_attribute(Copy self, ObjectKey a0)
7926  """
7927  return _IMP_atom.Copy_remove_attribute(self, *args)
7928 
7929  def has_attribute(self, *args):
7930  """
7931  has_attribute(Copy self, FloatKey a0) -> bool
7932  has_attribute(Copy self, IntKey a0) -> bool
7933  has_attribute(Copy self, StringKey a0) -> bool
7934  has_attribute(Copy self, ParticleIndexKey a0) -> bool
7935  has_attribute(Copy self, ObjectKey a0) -> bool
7936  """
7937  return _IMP_atom.Copy_has_attribute(self, *args)
7938 
7939  def get_derivative(self, *args):
7940  """get_derivative(Copy self, FloatKey a0) -> double"""
7941  return _IMP_atom.Copy_get_derivative(self, *args)
7942 
7943  def get_name(self):
7944  """get_name(Copy self) -> std::string"""
7945  return _IMP_atom.Copy_get_name(self)
7946 
7947  def clear_caches(self):
7948  """clear_caches(Copy self)"""
7949  return _IMP_atom.Copy_clear_caches(self)
7950 
7951  def set_name(self, *args):
7952  """set_name(Copy self, std::string a0)"""
7953  return _IMP_atom.Copy_set_name(self, *args)
7954 
7955  def set_check_level(self, *args):
7956  """set_check_level(Copy self, IMP::base::CheckLevel a0)"""
7957  return _IMP_atom.Copy_set_check_level(self, *args)
7958 
7959  def add_to_derivative(self, *args):
7960  """add_to_derivative(Copy self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7961  return _IMP_atom.Copy_add_to_derivative(self, *args)
7962 
7963  def set_is_optimized(self, *args):
7964  """set_is_optimized(Copy self, FloatKey a0, bool a1)"""
7965  return _IMP_atom.Copy_set_is_optimized(self, *args)
7966 
7967  def get_is_optimized(self, *args):
7968  """get_is_optimized(Copy self, FloatKey a0) -> bool"""
7969  return _IMP_atom.Copy_get_is_optimized(self, *args)
7970 
7971  def get_check_level(self):
7972  """get_check_level(Copy self) -> IMP::base::CheckLevel"""
7973  return _IMP_atom.Copy_get_check_level(self)
7974 
7975  def __eq__(self, *args):
7976  """
7977  __eq__(Copy self, Copy o) -> bool
7978  __eq__(Copy self, Particle d) -> bool
7979  """
7980  return _IMP_atom.Copy___eq__(self, *args)
7981 
7982  def __ne__(self, *args):
7983  """
7984  __ne__(Copy self, Copy o) -> bool
7985  __ne__(Copy self, Particle d) -> bool
7986  """
7987  return _IMP_atom.Copy___ne__(self, *args)
7988 
7989  def __le__(self, *args):
7990  """
7991  __le__(Copy self, Copy o) -> bool
7992  __le__(Copy self, Particle d) -> bool
7993  """
7994  return _IMP_atom.Copy___le__(self, *args)
7995 
7996  def __lt__(self, *args):
7997  """
7998  __lt__(Copy self, Copy o) -> bool
7999  __lt__(Copy self, Particle d) -> bool
8000  """
8001  return _IMP_atom.Copy___lt__(self, *args)
8002 
8003  def __ge__(self, *args):
8004  """
8005  __ge__(Copy self, Copy o) -> bool
8006  __ge__(Copy self, Particle d) -> bool
8007  """
8008  return _IMP_atom.Copy___ge__(self, *args)
8009 
8010  def __gt__(self, *args):
8011  """
8012  __gt__(Copy self, Copy o) -> bool
8013  __gt__(Copy self, Particle d) -> bool
8014  """
8015  return _IMP_atom.Copy___gt__(self, *args)
8016 
8017  def __str__(self):
8018  """__str__(Copy self) -> std::string"""
8019  return _IMP_atom.Copy___str__(self)
8020 
8021  def __repr__(self):
8022  """__repr__(Copy self) -> std::string"""
8023  return _IMP_atom.Copy___repr__(self)
8024 
8025  __swig_destroy__ = _IMP_atom.delete_Copy
8026  __del__ = lambda self : None;
8027 Copy_swigregister = _IMP_atom.Copy_swigregister
8028 Copy_swigregister(Copy)
8029 
8030 def Copy_get_copy_index_key():
8031  """Copy_get_copy_index_key() -> IntKey"""
8032  return _IMP_atom.Copy_get_copy_index_key()
8033 
8034 def Copy_setup_particle(*args):
8035  """
8036  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::Int number) -> Copy
8037  Copy_setup_particle(_ParticleAdaptor decorator, IMP::Int number) -> Copy
8038  """
8039  return _IMP_atom.Copy_setup_particle(*args)
8040 
8041 def Copy_get_is_setup(*args):
8042  """
8043  get_is_setup(_ParticleAdaptor p) -> bool
8044  Copy_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
8045  """
8046  return _IMP_atom.Copy_get_is_setup(*args)
8047 
8048 
8049 def __lshift__(*args):
8050  """
8051  __lshift__(_ostream out, Bonded n) -> _ostream
8052  __lshift__(_ostream out, Bond n) -> _ostream
8053  __lshift__(_ostream out, Hierarchy n) -> _ostream
8054  __lshift__(_ostream out, Angle n) -> _ostream
8055  __lshift__(_ostream out, Dihedral n) -> _ostream
8056  __lshift__(_ostream out, CenterOfMass n) -> _ostream
8057  __lshift__(_ostream out, Diffusion n) -> _ostream
8058  __lshift__(_ostream out, RigidBodyDiffusion n) -> _ostream
8059  __lshift__(_ostream out, Chain n) -> _ostream
8060  __lshift__(_ostream out, Charged n) -> _ostream
8061  __lshift__(_ostream out, Domain n) -> _ostream
8062  __lshift__(_ostream out, LennardJones n) -> _ostream
8063  __lshift__(_ostream out, Fragment n) -> _ostream
8064  __lshift__(_ostream out, SecondaryStructureResidue n) -> _ostream
8065  __lshift__(_ostream out, Atom n) -> _ostream
8066  __lshift__(_ostream out, Residue n) -> _ostream
8067  __lshift__(_ostream out, Representation n) -> _ostream
8068  __lshift__(_ostream out, State n) -> _ostream
8069  __lshift__(_ostream out, Molecule n) -> _ostream
8070  __lshift__(_ostream out, Copy n) -> _ostream
8071  """
8072  return _IMP_atom.__lshift__(*args)
8073 
8074 def get_copy_index(*args):
8075  """get_copy_index(Hierarchy h) -> int"""
8076  return _IMP_atom.get_copy_index(*args)
8077 class Selection(IMP.kernel._ParticleIndexesAdaptor):
8078  """Proxy of C++ IMP::atom::Selection class"""
8079  __swig_setmethods__ = {}
8080  for _s in [IMP.kernel._ParticleIndexesAdaptor]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
8081  __setattr__ = lambda self, name, value: _swig_setattr(self, Selection, name, value)
8082  __swig_getmethods__ = {}
8083  for _s in [IMP.kernel._ParticleIndexesAdaptor]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
8084  __getattr__ = lambda self, name: _swig_getattr(self, Selection, name)
8085  NONE = _IMP_atom.Selection_NONE
8086  C = _IMP_atom.Selection_C
8087  N = _IMP_atom.Selection_N
8088  def __init__(self, *args):
8089  """
8090  __init__(IMP::atom::Selection self) -> Selection
8091  __init__(IMP::atom::Selection self, Hierarchy h) -> Selection
8092  __init__(IMP::atom::Selection self, Particle h) -> Selection
8093  __init__(IMP::atom::Selection self, Model m, IMP::kernel::ParticleIndexes const & pis) -> Selection
8094  __init__(IMP::atom::Selection self, IMP::kernel::ParticlesTemp const & h) -> Selection
8095  """
8096  this = _IMP_atom.new_Selection(*args)
8097  try: self.this.append(this)
8098  except: self.this = this
8099  def create_clone(self):
8100  """create_clone(Selection self) -> Selection"""
8101  return _IMP_atom.Selection_create_clone(self)
8102 
8103  def get_hierarchies(self):
8104  """get_hierarchies(Selection self) -> IMP::atom::Hierarchies"""
8105  return _IMP_atom.Selection_get_hierarchies(self)
8106 
8107  def set_molecules(self, *args):
8108  """set_molecules(Selection self, IMP::Strings mols)"""
8109  return _IMP_atom.Selection_set_molecules(self, *args)
8110 
8111  def set_resolution(self, *args):
8112  """set_resolution(Selection self, double r)"""
8113  return _IMP_atom.Selection_set_resolution(self, *args)
8114 
8115  def set_state_index(self, *args):
8116  """set_state_index(Selection self, int state)"""
8117  return _IMP_atom.Selection_set_state_index(self, *args)
8118 
8119  def set_state_indexes(self, *args):
8120  """set_state_indexes(Selection self, IMP::Ints states)"""
8121  return _IMP_atom.Selection_set_state_indexes(self, *args)
8122 
8123  def set_terminus(self, *args):
8124  """set_terminus(Selection self, IMP::atom::Selection::Terminus t)"""
8125  return _IMP_atom.Selection_set_terminus(self, *args)
8126 
8127  def set_chain_ids(self, *args):
8128  """set_chain_ids(Selection self, IMP::Strings chains)"""
8129  return _IMP_atom.Selection_set_chain_ids(self, *args)
8130 
8131  def set_chains(self, *args):
8132  """set_chains(Selection self, IMP::Strings chains)"""
8133  return _IMP_atom.Selection_set_chains(self, *args)
8134 
8135  def set_residue_indexes(self, *args):
8136  """set_residue_indexes(Selection self, IMP::Ints indexes)"""
8137  return _IMP_atom.Selection_set_residue_indexes(self, *args)
8138 
8139  def set_atom_types(self, *args):
8140  """set_atom_types(Selection self, IMP::atom::AtomTypes types)"""
8141  return _IMP_atom.Selection_set_atom_types(self, *args)
8142 
8143  def set_residue_types(self, *args):
8144  """set_residue_types(Selection self, IMP::atom::ResidueTypes types)"""
8145  return _IMP_atom.Selection_set_residue_types(self, *args)
8146 
8147  def set_domains(self, *args):
8148  """set_domains(Selection self, IMP::Strings names)"""
8149  return _IMP_atom.Selection_set_domains(self, *args)
8150 
8151  def set_molecule(self, *args):
8152  """set_molecule(Selection self, std::string mol)"""
8153  return _IMP_atom.Selection_set_molecule(self, *args)
8154 
8155  def set_chain_id(self, *args):
8156  """set_chain_id(Selection self, std::string c)"""
8157  return _IMP_atom.Selection_set_chain_id(self, *args)
8158 
8159  def set_chain(self, *args):
8160  """set_chain(Selection self, std::string c)"""
8161  return _IMP_atom.Selection_set_chain(self, *args)
8162 
8163  def set_residue_index(self, *args):
8164  """set_residue_index(Selection self, int i)"""
8165  return _IMP_atom.Selection_set_residue_index(self, *args)
8166 
8167  def set_atom_type(self, *args):
8168  """set_atom_type(Selection self, AtomType types)"""
8169  return _IMP_atom.Selection_set_atom_type(self, *args)
8170 
8171  def set_residue_type(self, *args):
8172  """set_residue_type(Selection self, ResidueType type)"""
8173  return _IMP_atom.Selection_set_residue_type(self, *args)
8174 
8175  def set_domain(self, *args):
8176  """set_domain(Selection self, std::string name)"""
8177  return _IMP_atom.Selection_set_domain(self, *args)
8178 
8179  def set_copy_index(self, *args):
8180  """set_copy_index(Selection self, unsigned int copy)"""
8181  return _IMP_atom.Selection_set_copy_index(self, *args)
8182 
8183  def set_copy_indexes(self, *args):
8184  """set_copy_indexes(Selection self, IMP::Ints copies)"""
8185  return _IMP_atom.Selection_set_copy_indexes(self, *args)
8186 
8187  def set_particle_type(self, *args):
8188  """set_particle_type(Selection self, ParticleType t)"""
8189  return _IMP_atom.Selection_set_particle_type(self, *args)
8190 
8191  def set_particle_types(self, *args):
8192  """set_particle_types(Selection self, IMP::core::ParticleTypes t)"""
8193  return _IMP_atom.Selection_set_particle_types(self, *args)
8194 
8195  def set_hierarchy_types(self, *args):
8196  """set_hierarchy_types(Selection self, IMP::Ints types)"""
8197  return _IMP_atom.Selection_set_hierarchy_types(self, *args)
8198 
8199  def set_intersection(self, *args):
8200  """set_intersection(Selection self, Selection s)"""
8201  return _IMP_atom.Selection_set_intersection(self, *args)
8202 
8203  def set_union(self, *args):
8204  """set_union(Selection self, Selection s)"""
8205  return _IMP_atom.Selection_set_union(self, *args)
8206 
8207  def set_symmetric_difference(self, *args):
8208  """set_symmetric_difference(Selection self, Selection s)"""
8209  return _IMP_atom.Selection_set_symmetric_difference(self, *args)
8210 
8211  def set_difference(self, *args):
8212  """set_difference(Selection self, Selection s)"""
8213  return _IMP_atom.Selection_set_difference(self, *args)
8214 
8215  def get_selected_particles(self):
8216  """get_selected_particles(Selection self) -> IMP::kernel::ParticlesTemp"""
8217  return _IMP_atom.Selection_get_selected_particles(self)
8218 
8219  def get_selected_particle_indexes(self):
8220  """get_selected_particle_indexes(Selection self) -> IMP::kernel::ParticleIndexes"""
8221  return _IMP_atom.Selection_get_selected_particle_indexes(self)
8222 
8223  def show(self, *args):
8224  """
8225  show(Selection self, _ostream out=std::cout)
8226  show(Selection self)
8227  """
8228  return _IMP_atom.Selection_show(self, *args)
8229 
8230  def __str__(self):
8231  """__str__(Selection self) -> std::string"""
8232  return _IMP_atom.Selection___str__(self)
8233 
8234  def __repr__(self):
8235  """__repr__(Selection self) -> std::string"""
8236  return _IMP_atom.Selection___repr__(self)
8237 
8238  def __init__(self, hierarchy=None,
8239  hierarchies=None, **params):
8240  if hierarchy and hierarchies:
8241  raise RuntimeError("You can't pass both hierarchy and hierarchies to Selection")
8242  if hierarchy:
8243  this = _IMP_atom.new_Selection(hierarchy)
8244  try: self.this.append(this)
8245  except: self.this = this
8246  else:
8247  this = _IMP_atom.new_Selection(hierarchies)
8248  try: self.this.append(this)
8249  except: self.this = this
8250  for k in params.keys():
8251  eval("self.set_%s(params[k])"%k)
8252 
8253  def union(self, s):
8254  news = self.create_clone()
8255  news.union_update(s)
8256  return news
8257  def intersection(self, s):
8258  news = self.create_clone()
8259  news.intersection_update(s)
8260  return news
8261  def symmetric_difference(self, s):
8262  news = self.create_clone()
8263  news.symmetric_difference_update(s)
8264  return news
8265  def difference(self, s):
8266  news = self.create_clone()
8267  news.difference_update(s)
8268  return news
8269  def union_update(self, s):
8270  self.set_union(s)
8271  return self
8272  def intersection_update(self, s):
8273  self.set_intersection(s)
8274  return self
8275  def symmetric_difference_update(self, s):
8276  self.set_symmetric_difference(s)
8277  return self
8278  def difference_update(self, s):
8279  self.set_difference(s)
8280  return self
8281  __or__ = union
8282  __and__ = intersection
8283  __xor__ = symmetric_difference
8284  __sub__ = difference
8285  __ior__ = union_update
8286  __iand__ = intersection_update
8287  __ixor__ = symmetric_difference_update
8288  __isub__ = difference_update
8289 
8290  __swig_destroy__ = _IMP_atom.delete_Selection
8291  __del__ = lambda self : None;
8292 Selection_swigregister = _IMP_atom.Selection_swigregister
8293 Selection_swigregister(Selection)
8294 
8295 
8296 def create_distance_restraint(*args):
8297  """
8298  create_distance_restraint(Selection n0, Selection n1, double x0, double k, std::string name="Distance%1%") -> Restraint
8299  create_distance_restraint(Selection n0, Selection n1, double x0, double k) -> Restraint
8300  """
8301  return _IMP_atom.create_distance_restraint(*args)
8302 
8304  """
8305  create_connectivity_restraint(IMP::atom::Selections const & s, double k, std::string name="Connectivity%1%") -> Restraint
8306  create_connectivity_restraint(IMP::atom::Selections const & s, double k) -> Restraint
8307  create_connectivity_restraint(IMP::atom::Selections const & s, double x0, double k, std::string name="Connectivity%1%") -> Restraint
8308  create_connectivity_restraint(IMP::atom::Selections const & s, double x0, double k) -> Restraint
8309  """
8310  return _IMP_atom.create_connectivity_restraint(*args)
8311 
8313  """
8314  create_internal_connectivity_restraint(Selection s, double k, std::string name="Connectivity%1%") -> Restraint
8315  create_internal_connectivity_restraint(Selection s, double k) -> Restraint
8316  create_internal_connectivity_restraint(Selection s, double x0, double k, std::string name="Connectivity%1%") -> Restraint
8317  create_internal_connectivity_restraint(Selection s, double x0, double k) -> Restraint
8318  """
8319  return _IMP_atom.create_internal_connectivity_restraint(*args)
8320 
8321 def create_cover(*args):
8322  """
8323  create_cover(Selection s, std::string name=std::string()) -> XYZR
8324  create_cover(Selection s) -> XYZR
8325  """
8326  return _IMP_atom.create_cover(*args)
8327 
8328 def get_mass(*args):
8329  """
8330  get_mass(ResidueType c) -> double
8331  get_mass(Selection s) -> double
8332  """
8333  return _IMP_atom.get_mass(*args)
8334 
8335 def get_volume(*args):
8336  """get_volume(Selection s) -> double"""
8337  return _IMP_atom.get_volume(*args)
8338 
8339 def get_surface_area(*args):
8340  """get_surface_area(Selection s) -> double"""
8341  return _IMP_atom.get_surface_area(*args)
8342 
8343 def get_leaves(*args):
8344  """
8345  get_leaves(Hierarchy h) -> IMP::atom::Hierarchies
8346  get_leaves(IMP::atom::Hierarchies const & h) -> IMP::atom::Hierarchies
8347  get_leaves(Selection h) -> IMP::atom::Hierarchies
8348  """
8349  return _IMP_atom.get_leaves(*args)
8350 class SelectionGeometry(IMP.display.Geometry):
8351  """Proxy of C++ IMP::atom::SelectionGeometry class"""
8352  __swig_setmethods__ = {}
8353  for _s in [IMP.display.Geometry]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
8354  __setattr__ = lambda self, name, value: _swig_setattr(self, SelectionGeometry, name, value)
8355  __swig_getmethods__ = {}
8356  for _s in [IMP.display.Geometry]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
8357  __getattr__ = lambda self, name: _swig_getattr(self, SelectionGeometry, name)
8358  def __init__(self, *args):
8359  """
8360  __init__(IMP::atom::SelectionGeometry self, Selection d, std::string name="Selection") -> SelectionGeometry
8361  __init__(IMP::atom::SelectionGeometry self, Selection d) -> SelectionGeometry
8362  """
8363  this = _IMP_atom.new_SelectionGeometry(*args)
8364  try: self.this.append(this)
8365  except: self.this = this
8366  def get_version_info(self):
8367  """get_version_info(SelectionGeometry self) -> VersionInfo"""
8368  return _IMP_atom.SelectionGeometry_get_version_info(self)
8369 
8370  def __str__(self):
8371  """__str__(SelectionGeometry self) -> std::string"""
8372  return _IMP_atom.SelectionGeometry___str__(self)
8373 
8374  def __repr__(self):
8375  """__repr__(SelectionGeometry self) -> std::string"""
8376  return _IMP_atom.SelectionGeometry___repr__(self)
8377 
8378  def get_from(o):
8379  return _object_cast_to_SelectionGeometry(o)
8380  get_from = staticmethod(get_from)
8381 
8382 SelectionGeometry_swigregister = _IMP_atom.SelectionGeometry_swigregister
8383 SelectionGeometry_swigregister(SelectionGeometry)
8384 
8385 
8386 def get_rmsd_transforming_first(*args):
8387  """
8388  get_rmsd_transforming_first(Transformation3D tr, IMP::core::XYZs const & s0, IMP::core::XYZs const & s1) -> double
8389  get_rmsd_transforming_first(Transformation3D tr, Selection s0, Selection s1) -> double
8390  """
8391  return _IMP_atom.get_rmsd_transforming_first(*args)
8392 
8393 def get_rmsd(*args):
8394  """
8395  get_rmsd(IMP::core::XYZs const & s0, IMP::core::XYZs const & s1) -> double
8396  get_rmsd(Selection s0, Selection s1) -> double
8397  get_rmsd(Selection s0, Selection s1, Transformation3D tr_for_second) -> double
8398  get_rmsd(IMP::algebra::Vector3Ds const & s0, IMP::algebra::Vector3Ds const & s1, Transformation3D tr_for_second) -> double
8399  get_rmsd(IMP::core::XYZs const & s0, IMP::core::XYZs const & s1, Transformation3D tr_for_second) -> double
8400  """
8401  return _IMP_atom.get_rmsd(*args)
8402 
8403 def get_placement_score(*args):
8404  """get_placement_score(IMP::core::XYZs const & source, IMP::core::XYZs const & target) -> IMP::FloatPair"""
8405  return _IMP_atom.get_placement_score(*args)
8406 
8408  """
8409  get_component_placement_score(IMP::core::XYZs const & ref1, IMP::core::XYZs const & ref2, IMP::core::XYZs const & mdl1,
8410  IMP::core::XYZs const & mdl2) -> IMP::FloatPair
8411  """
8412  return _IMP_atom.get_component_placement_score(*args)
8413 
8414 def get_pairwise_rmsd_score(*args):
8415  """
8416  get_pairwise_rmsd_score(IMP::core::XYZs const & ref1, IMP::core::XYZs const & ref2, IMP::core::XYZs const & mdl1,
8417  IMP::core::XYZs const & mdl2) -> double
8418  """
8419  return _IMP_atom.get_pairwise_rmsd_score(*args)
8420 
8421 def get_radius_of_gyration(*args):
8422  """
8423  get_radius_of_gyration(Selection s) -> double
8424  get_radius_of_gyration(IMP::kernel::ParticlesTemp const & ps) -> double
8425  """
8426  return _IMP_atom.get_radius_of_gyration(*args)
8427 class ForceFieldParameters(IMP.base.Object):
8428  """Proxy of C++ IMP::atom::ForceFieldParameters class"""
8429  __swig_setmethods__ = {}
8430  for _s in [IMP.base.Object]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
8431  __setattr__ = lambda self, name, value: _swig_setattr(self, ForceFieldParameters, name, value)
8432  __swig_getmethods__ = {}
8433  for _s in [IMP.base.Object]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
8434  __getattr__ = lambda self, name: _swig_getattr(self, ForceFieldParameters, name)
8435  def __init__(self):
8436  """__init__(IMP::atom::ForceFieldParameters self) -> ForceFieldParameters"""
8437  this = _IMP_atom.new_ForceFieldParameters()
8438  try: self.this.append(this)
8439  except: self.this = this
8440  def get_radius(self, *args):
8441  """get_radius(ForceFieldParameters self, Atom atom) -> IMP::Float"""
8442  return _IMP_atom.ForceFieldParameters_get_radius(self, *args)
8443 
8444  def get_epsilon(self, *args):
8445  """get_epsilon(ForceFieldParameters self, Atom atom) -> IMP::Float"""
8446  return _IMP_atom.ForceFieldParameters_get_epsilon(self, *args)
8447 
8448  def add_radii(self, *args):
8449  """
8450  add_radii(ForceFieldParameters self, Hierarchy mhd, double scale=1.0, FloatKey radius_key=FloatKey("radius"))
8451  add_radii(ForceFieldParameters self, Hierarchy mhd, double scale=1.0)
8452  add_radii(ForceFieldParameters self, Hierarchy mhd)
8453  """
8454  return _IMP_atom.ForceFieldParameters_add_radii(self, *args)
8455 
8456  def add_well_depths(self, *args):
8457  """add_well_depths(ForceFieldParameters self, Hierarchy mhd)"""
8458  return _IMP_atom.ForceFieldParameters_add_well_depths(self, *args)
8459 
8460  def add_bonds(self, *args):
8461  """add_bonds(ForceFieldParameters self, Hierarchy mhd)"""
8462  return _IMP_atom.ForceFieldParameters_add_bonds(self, *args)
8463 
8464  __swig_destroy__ = _IMP_atom.delete_ForceFieldParameters
8465  __del__ = lambda self : None;
8466  def __str__(self):
8467  """__str__(ForceFieldParameters self) -> std::string"""
8468  return _IMP_atom.ForceFieldParameters___str__(self)
8469 
8470  def __repr__(self):
8471  """__repr__(ForceFieldParameters self) -> std::string"""
8472  return _IMP_atom.ForceFieldParameters___repr__(self)
8473 
8474  def get_from(o):
8475  return _object_cast_to_ForceFieldParameters(o)
8476  get_from = staticmethod(get_from)
8477 
8478 ForceFieldParameters_swigregister = _IMP_atom.ForceFieldParameters_swigregister
8479 ForceFieldParameters_swigregister(ForceFieldParameters)
8480 
8481 class CHARMMAtomTopology(_object):
8482  """Proxy of C++ IMP::atom::CHARMMAtomTopology class"""
8483  __swig_setmethods__ = {}
8484  __setattr__ = lambda self, name, value: _swig_setattr(self, CHARMMAtomTopology, name, value)
8485  __swig_getmethods__ = {}
8486  __getattr__ = lambda self, name: _swig_getattr(self, CHARMMAtomTopology, name)
8487  def __init__(self, *args):
8488  """
8489  __init__(IMP::atom::CHARMMAtomTopology self, std::string name) -> CHARMMAtomTopology
8490  __init__(IMP::atom::CHARMMAtomTopology self, std::string name, CHARMMAtomTopology other) -> CHARMMAtomTopology
8491  """
8492  this = _IMP_atom.new_CHARMMAtomTopology(*args)
8493  try: self.this.append(this)
8494  except: self.this = this
8495  def get_name(self):
8496  """get_name(CHARMMAtomTopology self) -> std::string"""
8497  return _IMP_atom.CHARMMAtomTopology_get_name(self)
8498 
8499  def get_charmm_type(self):
8500  """get_charmm_type(CHARMMAtomTopology self) -> std::string"""
8501  return _IMP_atom.CHARMMAtomTopology_get_charmm_type(self)
8502 
8503  def get_charge(self):
8504  """get_charge(CHARMMAtomTopology self) -> double"""
8505  return _IMP_atom.CHARMMAtomTopology_get_charge(self)
8506 
8507  def set_charmm_type(self, *args):
8508  """set_charmm_type(CHARMMAtomTopology self, std::string charmm_type)"""
8509  return _IMP_atom.CHARMMAtomTopology_set_charmm_type(self, *args)
8510 
8511  def set_charge(self, *args):
8512  """set_charge(CHARMMAtomTopology self, double charge)"""
8513  return _IMP_atom.CHARMMAtomTopology_set_charge(self, *args)
8514 
8515  def show(self, *args):
8516  """
8517  show(CHARMMAtomTopology self, _ostream out=std::cout)
8518  show(CHARMMAtomTopology self)
8519  """
8520  return _IMP_atom.CHARMMAtomTopology_show(self, *args)
8521 
8522  def __str__(self):
8523  """__str__(CHARMMAtomTopology self) -> std::string"""
8524  return _IMP_atom.CHARMMAtomTopology___str__(self)
8525 
8526  def __repr__(self):
8527  """__repr__(CHARMMAtomTopology self) -> std::string"""
8528  return _IMP_atom.CHARMMAtomTopology___repr__(self)
8529 
8530  __swig_destroy__ = _IMP_atom.delete_CHARMMAtomTopology
8531  __del__ = lambda self : None;
8532 CHARMMAtomTopology_swigregister = _IMP_atom.CHARMMAtomTopology_swigregister
8533 CHARMMAtomTopology_swigregister(CHARMMAtomTopology)
8534 
8535 class CHARMMBondEndpoint(_object):
8536  """Proxy of C++ IMP::atom::CHARMMBondEndpoint class"""
8537  __swig_setmethods__ = {}
8538  __setattr__ = lambda self, name, value: _swig_setattr(self, CHARMMBondEndpoint, name, value)
8539  __swig_getmethods__ = {}
8540  __getattr__ = lambda self, name: _swig_getattr(self, CHARMMBondEndpoint, name)
8541  def __init__(self, *args):
8542  """
8543  __init__(IMP::atom::CHARMMBondEndpoint self, std::string atom_name, CHARMMResidueTopology residue=None) -> CHARMMBondEndpoint
8544  __init__(IMP::atom::CHARMMBondEndpoint self, std::string atom_name) -> CHARMMBondEndpoint
8545  """
8546  this = _IMP_atom.new_CHARMMBondEndpoint(*args)
8547  try: self.this.append(this)
8548  except: self.this = this
8549  def get_atom_name(self):
8550  """get_atom_name(CHARMMBondEndpoint self) -> std::string"""
8551  return _IMP_atom.CHARMMBondEndpoint_get_atom_name(self)
8552 
8553  def get_atom(self, *args):
8554  """
8555  get_atom(CHARMMBondEndpoint self, CHARMMResidueTopology current_residue, CHARMMResidueTopology previous_residue, CHARMMResidueTopology next_residue,
8556  std::map< IMP::atom::CHARMMResidueTopology const *,IMP::atom::Hierarchy > const & resmap) -> Atom
8557  """
8558  return _IMP_atom.CHARMMBondEndpoint_get_atom(self, *args)
8559 
8560  def show(self, *args):
8561  """
8562  show(CHARMMBondEndpoint self, _ostream out=std::cout)
8563  show(CHARMMBondEndpoint self)
8564  """
8565  return _IMP_atom.CHARMMBondEndpoint_show(self, *args)
8566 
8567  def __str__(self):
8568  """__str__(CHARMMBondEndpoint self) -> std::string"""
8569  return _IMP_atom.CHARMMBondEndpoint___str__(self)
8570 
8571  def __repr__(self):
8572  """__repr__(CHARMMBondEndpoint self) -> std::string"""
8573  return _IMP_atom.CHARMMBondEndpoint___repr__(self)
8574 
8575  __swig_destroy__ = _IMP_atom.delete_CHARMMBondEndpoint
8576  __del__ = lambda self : None;
8577 CHARMMBondEndpoint_swigregister = _IMP_atom.CHARMMBondEndpoint_swigregister
8578 CHARMMBondEndpoint_swigregister(CHARMMBondEndpoint)
8579 
8580 class CHARMMDihedral(_object):
8581  """Proxy of C++ IMP::atom::CHARMMConnection<(4)> class"""
8582  __swig_setmethods__ = {}
8583  __setattr__ = lambda self, name, value: _swig_setattr(self, CHARMMDihedral, name, value)
8584  __swig_getmethods__ = {}
8585  __getattr__ = lambda self, name: _swig_getattr(self, CHARMMDihedral, name)
8586  __repr__ = _swig_repr
8587  def __init__(self, *args):
8588  """__init__(IMP::atom::CHARMMConnection<(4)> self, IMP::Strings const & atoms) -> CHARMMDihedral"""
8589  this = _IMP_atom.new_CHARMMDihedral(*args)
8590  try: self.this.append(this)
8591  except: self.this = this
8592  def get_endpoint(self, *args):
8593  """get_endpoint(CHARMMDihedral self, unsigned int i) -> CHARMMBondEndpoint"""
8594  return _IMP_atom.CHARMMDihedral_get_endpoint(self, *args)
8595 
8596  def get_contains_atom(self, *args):
8597  """get_contains_atom(CHARMMDihedral self, std::string name) -> bool"""
8598  return _IMP_atom.CHARMMDihedral_get_contains_atom(self, *args)
8599 
8600  def show(self, *args):
8601  """
8602  show(CHARMMDihedral self, _ostream out=std::cout)
8603  show(CHARMMDihedral self)
8604  """
8605  return _IMP_atom.CHARMMDihedral_show(self, *args)
8606 
8607  __swig_destroy__ = _IMP_atom.delete_CHARMMDihedral
8608  __del__ = lambda self : None;
8609 CHARMMDihedral_swigregister = _IMP_atom.CHARMMDihedral_swigregister
8610 CHARMMDihedral_swigregister(CHARMMDihedral)
8611 
8612 class CHARMMInternalCoordinate(CHARMMDihedral):
8613  """Proxy of C++ IMP::atom::CHARMMInternalCoordinate class"""
8614  __swig_setmethods__ = {}
8615  for _s in [CHARMMDihedral]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
8616  __setattr__ = lambda self, name, value: _swig_setattr(self, CHARMMInternalCoordinate, name, value)
8617  __swig_getmethods__ = {}
8618  for _s in [CHARMMDihedral]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
8619  __getattr__ = lambda self, name: _swig_getattr(self, CHARMMInternalCoordinate, name)
8620  def __init__(self, *args):
8621  """
8622  __init__(IMP::atom::CHARMMInternalCoordinate self, IMP::Strings const & atoms, float first_distance, float first_angle, float dihedral,
8623  float second_angle, float second_distance, bool improper) -> CHARMMInternalCoordinate
8624  __init__(IMP::atom::CHARMMInternalCoordinate self, IMP::base::Vector< IMP::atom::CHARMMBondEndpoint > const endpoints, float first_distance,
8625  float first_angle, float dihedral, float second_angle, float second_distance,
8626  bool improper) -> CHARMMInternalCoordinate
8627  """
8628  this = _IMP_atom.new_CHARMMInternalCoordinate(*args)
8629  try: self.this.append(this)
8630  except: self.this = this
8631  def get_first_distance(self):
8632  """get_first_distance(CHARMMInternalCoordinate self) -> float"""
8633  return _IMP_atom.CHARMMInternalCoordinate_get_first_distance(self)
8634 
8635  def get_second_distance(self):
8636  """get_second_distance(CHARMMInternalCoordinate self) -> float"""
8637  return _IMP_atom.CHARMMInternalCoordinate_get_second_distance(self)
8638 
8639  def get_first_angle(self):
8640  """get_first_angle(CHARMMInternalCoordinate self) -> float"""
8641  return _IMP_atom.CHARMMInternalCoordinate_get_first_angle(self)
8642 
8643  def get_second_angle(self):
8644  """get_second_angle(CHARMMInternalCoordinate self) -> float"""
8645  return _IMP_atom.CHARMMInternalCoordinate_get_second_angle(self)
8646 
8647  def get_dihedral(self):
8648  """get_dihedral(CHARMMInternalCoordinate self) -> float"""
8649  return _IMP_atom.CHARMMInternalCoordinate_get_dihedral(self)
8650 
8651  def get_improper(self):
8652  """get_improper(CHARMMInternalCoordinate self) -> bool"""
8653  return _IMP_atom.CHARMMInternalCoordinate_get_improper(self)
8654 
8655  def show(self, *args):
8656  """
8657  show(CHARMMInternalCoordinate self, _ostream out=std::cout)
8658  show(CHARMMInternalCoordinate self)
8659  """
8660  return _IMP_atom.CHARMMInternalCoordinate_show(self, *args)
8661 
8662  def __str__(self):
8663  """__str__(CHARMMInternalCoordinate self) -> std::string"""
8664  return _IMP_atom.CHARMMInternalCoordinate___str__(self)
8665 
8666  def __repr__(self):
8667  """__repr__(CHARMMInternalCoordinate self) -> std::string"""
8668  return _IMP_atom.CHARMMInternalCoordinate___repr__(self)
8669 
8670  __swig_destroy__ = _IMP_atom.delete_CHARMMInternalCoordinate
8671  __del__ = lambda self : None;
8672 CHARMMInternalCoordinate_swigregister = _IMP_atom.CHARMMInternalCoordinate_swigregister
8673 CHARMMInternalCoordinate_swigregister(CHARMMInternalCoordinate)
8674 
8675 class CHARMMResidueTopologyBase(IMP.base.Object):
8676  """Proxy of C++ IMP::atom::CHARMMResidueTopologyBase class"""
8677  __swig_setmethods__ = {}
8678  for _s in [IMP.base.Object]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
8679  __setattr__ = lambda self, name, value: _swig_setattr(self, CHARMMResidueTopologyBase, name, value)
8680  __swig_getmethods__ = {}
8681  for _s in [IMP.base.Object]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
8682  __getattr__ = lambda self, name: _swig_getattr(self, CHARMMResidueTopologyBase, name)
8683  def __init__(self, *args, **kwargs): raise AttributeError("No constructor defined")
8684  def get_type(self):
8685  """get_type(CHARMMResidueTopologyBase self) -> std::string"""
8686  return _IMP_atom.CHARMMResidueTopologyBase_get_type(self)
8687 
8688  def get_number_of_atoms(self):
8689  """get_number_of_atoms(CHARMMResidueTopologyBase self) -> unsigned int"""
8690  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_atoms(self)
8691 
8692  def add_atom(self, *args):
8693  """add_atom(CHARMMResidueTopologyBase self, CHARMMAtomTopology atom)"""
8694  return _IMP_atom.CHARMMResidueTopologyBase_add_atom(self, *args)
8695 
8696  def get_atom(self, *args):
8697  """
8698  get_atom(CHARMMResidueTopologyBase self, unsigned int i) -> CHARMMAtomTopology
8699  get_atom(CHARMMResidueTopologyBase self, AtomType type) -> CHARMMAtomTopology
8700  get_atom(CHARMMResidueTopologyBase self, std::string name) -> CHARMMAtomTopology
8701  """
8702  return _IMP_atom.CHARMMResidueTopologyBase_get_atom(self, *args)
8703 
8704  def get_number_of_bonds(self):
8705  """get_number_of_bonds(CHARMMResidueTopologyBase self) -> unsigned int"""
8706  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_bonds(self)
8707 
8708  def add_bond(self, *args):
8709  """add_bond(CHARMMResidueTopologyBase self, IMP::atom::CHARMMBond const & bond)"""
8710  return _IMP_atom.CHARMMResidueTopologyBase_add_bond(self, *args)
8711 
8712  def get_number_of_angles(self):
8713  """get_number_of_angles(CHARMMResidueTopologyBase self) -> unsigned int"""
8714  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_angles(self)
8715 
8716  def add_angle(self, *args):
8717  """add_angle(CHARMMResidueTopologyBase self, IMP::atom::CHARMMAngle const & bond)"""
8718  return _IMP_atom.CHARMMResidueTopologyBase_add_angle(self, *args)
8719 
8720  def get_number_of_dihedrals(self):
8721  """get_number_of_dihedrals(CHARMMResidueTopologyBase self) -> unsigned int"""
8722  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_dihedrals(self)
8723 
8724  def add_dihedral(self, *args):
8725  """add_dihedral(CHARMMResidueTopologyBase self, CHARMMDihedral bond)"""
8726  return _IMP_atom.CHARMMResidueTopologyBase_add_dihedral(self, *args)
8727 
8728  def get_number_of_impropers(self):
8729  """get_number_of_impropers(CHARMMResidueTopologyBase self) -> unsigned int"""
8730  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_impropers(self)
8731 
8732  def add_improper(self, *args):
8733  """add_improper(CHARMMResidueTopologyBase self, CHARMMDihedral bond)"""
8734  return _IMP_atom.CHARMMResidueTopologyBase_add_improper(self, *args)
8735 
8736  def get_number_of_internal_coordinates(self):
8737  """get_number_of_internal_coordinates(CHARMMResidueTopologyBase self) -> unsigned int"""
8738  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_internal_coordinates(self)
8739 
8740  def add_internal_coordinate(self, *args):
8741  """add_internal_coordinate(CHARMMResidueTopologyBase self, CHARMMInternalCoordinate ic)"""
8742  return _IMP_atom.CHARMMResidueTopologyBase_add_internal_coordinate(self, *args)
8743 
8744  def get_internal_coordinate(self, *args):
8745  """get_internal_coordinate(CHARMMResidueTopologyBase self, unsigned int index) -> CHARMMInternalCoordinate"""
8746  return _IMP_atom.CHARMMResidueTopologyBase_get_internal_coordinate(self, *args)
8747 
8748  def get_bond(self, *args):
8749  """get_bond(CHARMMResidueTopologyBase self, unsigned int index) -> IMP::atom::CHARMMBond const &"""
8750  return _IMP_atom.CHARMMResidueTopologyBase_get_bond(self, *args)
8751 
8752  def get_angle(self, *args):
8753  """get_angle(CHARMMResidueTopologyBase self, unsigned int index) -> IMP::atom::CHARMMAngle const &"""
8754  return _IMP_atom.CHARMMResidueTopologyBase_get_angle(self, *args)
8755 
8756  def get_dihedral(self, *args):
8757  """get_dihedral(CHARMMResidueTopologyBase self, unsigned int index) -> CHARMMDihedral"""
8758  return _IMP_atom.CHARMMResidueTopologyBase_get_dihedral(self, *args)
8759 
8760  def get_improper(self, *args):
8761  """get_improper(CHARMMResidueTopologyBase self, unsigned int index) -> CHARMMDihedral"""
8762  return _IMP_atom.CHARMMResidueTopologyBase_get_improper(self, *args)
8763 
8764  def get_version_info(self):
8765  """get_version_info(CHARMMResidueTopologyBase self) -> VersionInfo"""
8766  return _IMP_atom.CHARMMResidueTopologyBase_get_version_info(self)
8767 
8768  def __str__(self):
8769  """__str__(CHARMMResidueTopologyBase self) -> std::string"""
8770  return _IMP_atom.CHARMMResidueTopologyBase___str__(self)
8771 
8772  def __repr__(self):
8773  """__repr__(CHARMMResidueTopologyBase self) -> std::string"""
8774  return _IMP_atom.CHARMMResidueTopologyBase___repr__(self)
8775 
8776  def get_from(o):
8777  return _object_cast_to_CHARMMResidueTopologyBase(o)
8778  get_from = staticmethod(get_from)
8779 
8780 CHARMMResidueTopologyBase_swigregister = _IMP_atom.CHARMMResidueTopologyBase_swigregister
8781 CHARMMResidueTopologyBase_swigregister(CHARMMResidueTopologyBase)
8782 
8783 class CHARMMIdealResidueTopology(CHARMMResidueTopologyBase):
8784  """Proxy of C++ IMP::atom::CHARMMIdealResidueTopology class"""
8785  __swig_setmethods__ = {}
8786  for _s in [CHARMMResidueTopologyBase]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
8787  __setattr__ = lambda self, name, value: _swig_setattr(self, CHARMMIdealResidueTopology, name, value)
8788  __swig_getmethods__ = {}
8789  for _s in [CHARMMResidueTopologyBase]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
8790  __getattr__ = lambda self, name: _swig_getattr(self, CHARMMIdealResidueTopology, name)
8791  def __init__(self, *args):
8792  """
8793  __init__(IMP::atom::CHARMMIdealResidueTopology self, std::string type) -> CHARMMIdealResidueTopology
8794  __init__(IMP::atom::CHARMMIdealResidueTopology self, ResidueType type) -> CHARMMIdealResidueTopology
8795  """
8796  this = _IMP_atom.new_CHARMMIdealResidueTopology(*args)
8797  try: self.this.append(this)
8798  except: self.this = this
8799  def remove_atom(self, *args):
8800  """remove_atom(CHARMMIdealResidueTopology self, std::string name)"""
8801  return _IMP_atom.CHARMMIdealResidueTopology_remove_atom(self, *args)
8802 
8803  def set_default_first_patch(self, *args):
8804  """set_default_first_patch(CHARMMIdealResidueTopology self, std::string patch)"""
8805  return _IMP_atom.CHARMMIdealResidueTopology_set_default_first_patch(self, *args)
8806 
8807  def set_default_last_patch(self, *args):
8808  """set_default_last_patch(CHARMMIdealResidueTopology self, std::string patch)"""
8809  return _IMP_atom.CHARMMIdealResidueTopology_set_default_last_patch(self, *args)
8810 
8811  def get_default_first_patch(self):
8812  """get_default_first_patch(CHARMMIdealResidueTopology self) -> std::string"""
8813  return _IMP_atom.CHARMMIdealResidueTopology_get_default_first_patch(self)
8814 
8815  def get_default_last_patch(self):
8816  """get_default_last_patch(CHARMMIdealResidueTopology self) -> std::string"""
8817  return _IMP_atom.CHARMMIdealResidueTopology_get_default_last_patch(self)
8818 
8819  def __str__(self):
8820  """__str__(CHARMMIdealResidueTopology self) -> std::string"""
8821  return _IMP_atom.CHARMMIdealResidueTopology___str__(self)
8822 
8823  def __repr__(self):
8824  """__repr__(CHARMMIdealResidueTopology self) -> std::string"""
8825  return _IMP_atom.CHARMMIdealResidueTopology___repr__(self)
8826 
8827  def get_from(o):
8828  return _object_cast_to_CHARMMIdealResidueTopology(o)
8829  get_from = staticmethod(get_from)
8830 
8831 CHARMMIdealResidueTopology_swigregister = _IMP_atom.CHARMMIdealResidueTopology_swigregister
8832 CHARMMIdealResidueTopology_swigregister(CHARMMIdealResidueTopology)
8833 
8834 class CHARMMPatch(CHARMMResidueTopologyBase):
8835  """Proxy of C++ IMP::atom::CHARMMPatch class"""
8836  __swig_setmethods__ = {}
8837  for _s in [CHARMMResidueTopologyBase]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
8838  __setattr__ = lambda self, name, value: _swig_setattr(self, CHARMMPatch, name, value)
8839  __swig_getmethods__ = {}
8840  for _s in [CHARMMResidueTopologyBase]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
8841  __getattr__ = lambda self, name: _swig_getattr(self, CHARMMPatch, name)
8842  def __init__(self, *args):
8843  """__init__(IMP::atom::CHARMMPatch self, std::string type) -> CHARMMPatch"""
8844  this = _IMP_atom.new_CHARMMPatch(*args)
8845  try: self.this.append(this)
8846  except: self.this = this
8847  def add_removed_atom(self, *args):
8848  """add_removed_atom(CHARMMPatch self, std::string name)"""
8849  return _IMP_atom.CHARMMPatch_add_removed_atom(self, *args)
8850 
8851  def get_number_of_removed_atoms(self):
8852  """get_number_of_removed_atoms(CHARMMPatch self) -> unsigned int"""
8853  return _IMP_atom.CHARMMPatch_get_number_of_removed_atoms(self)
8854 
8855  def get_removed_atom(self, *args):
8856  """get_removed_atom(CHARMMPatch self, unsigned int i) -> std::string"""
8857  return _IMP_atom.CHARMMPatch_get_removed_atom(self, *args)
8858 
8859  def apply(self, *args):
8860  """
8861  apply(CHARMMPatch self, CHARMMResidueTopology res)
8862  apply(CHARMMPatch self, CHARMMResidueTopology res1, CHARMMResidueTopology res2)
8863  """
8864  return _IMP_atom.CHARMMPatch_apply(self, *args)
8865 
8866  def __str__(self):
8867  """__str__(CHARMMPatch self) -> std::string"""
8868  return _IMP_atom.CHARMMPatch___str__(self)
8869 
8870  def __repr__(self):
8871  """__repr__(CHARMMPatch self) -> std::string"""
8872  return _IMP_atom.CHARMMPatch___repr__(self)
8873 
8874  def get_from(o):
8875  return _object_cast_to_CHARMMPatch(o)
8876  get_from = staticmethod(get_from)
8877 
8878 CHARMMPatch_swigregister = _IMP_atom.CHARMMPatch_swigregister
8879 CHARMMPatch_swigregister(CHARMMPatch)
8880 
8881 class CHARMMResidueTopology(CHARMMIdealResidueTopology):
8882  """Proxy of C++ IMP::atom::CHARMMResidueTopology class"""
8883  __swig_setmethods__ = {}
8884  for _s in [CHARMMIdealResidueTopology]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
8885  __setattr__ = lambda self, name, value: _swig_setattr(self, CHARMMResidueTopology, name, value)
8886  __swig_getmethods__ = {}
8887  for _s in [CHARMMIdealResidueTopology]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
8888  __getattr__ = lambda self, name: _swig_getattr(self, CHARMMResidueTopology, name)
8889  def __init__(self, *args):
8890  """
8891  __init__(IMP::atom::CHARMMResidueTopology self, ResidueType type) -> CHARMMResidueTopology
8892  __init__(IMP::atom::CHARMMResidueTopology self, CHARMMIdealResidueTopology ideal) -> CHARMMResidueTopology
8893  """
8894  this = _IMP_atom.new_CHARMMResidueTopology(*args)
8895  try: self.this.append(this)
8896  except: self.this = this
8897  def get_patched(self):
8898  """get_patched(CHARMMResidueTopology self) -> bool"""
8899  return _IMP_atom.CHARMMResidueTopology_get_patched(self)
8900 
8901  def set_patched(self, *args):
8902  """set_patched(CHARMMResidueTopology self, bool patched)"""
8903  return _IMP_atom.CHARMMResidueTopology_set_patched(self, *args)
8904 
8905  def __str__(self):
8906  """__str__(CHARMMResidueTopology self) -> std::string"""
8907  return _IMP_atom.CHARMMResidueTopology___str__(self)
8908 
8909  def __repr__(self):
8910  """__repr__(CHARMMResidueTopology self) -> std::string"""
8911  return _IMP_atom.CHARMMResidueTopology___repr__(self)
8912 
8913  def get_from(o):
8914  return _object_cast_to_CHARMMResidueTopology(o)
8915  get_from = staticmethod(get_from)
8916 
8917 CHARMMResidueTopology_swigregister = _IMP_atom.CHARMMResidueTopology_swigregister
8918 CHARMMResidueTopology_swigregister(CHARMMResidueTopology)
8919 
8920 class CHARMMAtom(Atom):
8921  """Proxy of C++ IMP::atom::CHARMMAtom class"""
8922  __swig_setmethods__ = {}
8923  for _s in [Atom]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
8924  __setattr__ = lambda self, name, value: _swig_setattr(self, CHARMMAtom, name, value)
8925  __swig_getmethods__ = {}
8926  for _s in [Atom]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
8927  __getattr__ = lambda self, name: _swig_getattr(self, CHARMMAtom, name)
8928  def __init__(self, *args):
8929  """
8930  __init__(IMP::atom::CHARMMAtom self) -> CHARMMAtom
8931  __init__(IMP::atom::CHARMMAtom self, Model m, ::IMP::kernel::ParticleIndex id) -> CHARMMAtom
8932  __init__(IMP::atom::CHARMMAtom self, _ParticleAdaptor d) -> CHARMMAtom
8933  """
8934  this = _IMP_atom.new_CHARMMAtom(*args)
8935  try: self.this.append(this)
8936  except: self.this = this
8937  def show(self, *args):
8938  """
8939  show(CHARMMAtom self, _ostream out=std::cout)
8940  show(CHARMMAtom self)
8941  """
8942  return _IMP_atom.CHARMMAtom_show(self, *args)
8943 
8944  def setup_particle(*args):
8945  """
8946  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::String charmm_type) -> CHARMMAtom
8947  setup_particle(_ParticleAdaptor decorator, IMP::String charmm_type) -> CHARMMAtom
8948  """
8949  return _IMP_atom.CHARMMAtom_setup_particle(*args)
8950 
8951  if _newclass:setup_particle = staticmethod(setup_particle)
8952  __swig_getmethods__["setup_particle"] = lambda x: setup_particle
8953  def get_charmm_type(self):
8954  """get_charmm_type(CHARMMAtom self) -> IMP::String"""
8955  return _IMP_atom.CHARMMAtom_get_charmm_type(self)
8956 
8957  def set_charmm_type(self, *args):
8958  """set_charmm_type(CHARMMAtom self, IMP::String t)"""
8959  return _IMP_atom.CHARMMAtom_set_charmm_type(self, *args)
8960 
8961  def get_is_setup(*args):
8962  """
8963  get_is_setup(_ParticleAdaptor p) -> bool
8964  get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
8965  """
8966  return _IMP_atom.CHARMMAtom_get_is_setup(*args)
8967 
8968  if _newclass:get_is_setup = staticmethod(get_is_setup)
8969  __swig_getmethods__["get_is_setup"] = lambda x: get_is_setup
8970  def get_charmm_type_key():
8971  """get_charmm_type_key() -> StringKey"""
8972  return _IMP_atom.CHARMMAtom_get_charmm_type_key()
8973 
8974  if _newclass:get_charmm_type_key = staticmethod(get_charmm_type_key)
8975  __swig_getmethods__["get_charmm_type_key"] = lambda x: get_charmm_type_key
8976  def add_attribute(self, *args):
8977  """
8978  add_attribute(CHARMMAtom self, FloatKey k, IMP::Float v, bool opt)
8979  add_attribute(CHARMMAtom self, FloatKey a0, IMP::Float a1)
8980  add_attribute(CHARMMAtom self, IntKey a0, IMP::Int a1)
8981  add_attribute(CHARMMAtom self, StringKey a0, IMP::String a1)
8982  add_attribute(CHARMMAtom self, ParticleIndexKey a0, Particle a1)
8983  add_attribute(CHARMMAtom self, ObjectKey a0, Object a1)
8984  """
8985  return _IMP_atom.CHARMMAtom_add_attribute(self, *args)
8986 
8987  def get_value(self, *args):
8988  """
8989  get_value(CHARMMAtom self, FloatKey a0) -> IMP::Float
8990  get_value(CHARMMAtom self, IntKey a0) -> IMP::Int
8991  get_value(CHARMMAtom self, StringKey a0) -> IMP::String
8992  get_value(CHARMMAtom self, ParticleIndexKey a0) -> Particle
8993  get_value(CHARMMAtom self, ObjectKey a0) -> Object
8994  """
8995  return _IMP_atom.CHARMMAtom_get_value(self, *args)
8996 
8997  def set_value(self, *args):
8998  """
8999  set_value(CHARMMAtom self, FloatKey a0, IMP::Float a1)
9000  set_value(CHARMMAtom self, IntKey a0, IMP::Int a1)
9001  set_value(CHARMMAtom self, StringKey a0, IMP::String a1)
9002  set_value(CHARMMAtom self, ParticleIndexKey a0, Particle a1)
9003  set_value(CHARMMAtom self, ObjectKey a0, Object a1)
9004  """
9005  return _IMP_atom.CHARMMAtom_set_value(self, *args)
9006 
9007  def remove_attribute(self, *args):
9008  """
9009  remove_attribute(CHARMMAtom self, FloatKey a0)
9010  remove_attribute(CHARMMAtom self, IntKey a0)
9011  remove_attribute(CHARMMAtom self, StringKey a0)
9012  remove_attribute(CHARMMAtom self, ParticleIndexKey a0)
9013  remove_attribute(CHARMMAtom self, ObjectKey a0)
9014  """
9015  return _IMP_atom.CHARMMAtom_remove_attribute(self, *args)
9016 
9017  def has_attribute(self, *args):
9018  """
9019  has_attribute(CHARMMAtom self, FloatKey a0) -> bool
9020  has_attribute(CHARMMAtom self, IntKey a0) -> bool
9021  has_attribute(CHARMMAtom self, StringKey a0) -> bool
9022  has_attribute(CHARMMAtom self, ParticleIndexKey a0) -> bool
9023  has_attribute(CHARMMAtom self, ObjectKey a0) -> bool
9024  """
9025  return _IMP_atom.CHARMMAtom_has_attribute(self, *args)
9026 
9027  def get_derivative(self, *args):
9028  """get_derivative(CHARMMAtom self, FloatKey a0) -> double"""
9029  return _IMP_atom.CHARMMAtom_get_derivative(self, *args)
9030 
9031  def get_name(self):
9032  """get_name(CHARMMAtom self) -> std::string"""
9033  return _IMP_atom.CHARMMAtom_get_name(self)
9034 
9035  def clear_caches(self):
9036  """clear_caches(CHARMMAtom self)"""
9037  return _IMP_atom.CHARMMAtom_clear_caches(self)
9038 
9039  def set_name(self, *args):
9040  """set_name(CHARMMAtom self, std::string a0)"""
9041  return _IMP_atom.CHARMMAtom_set_name(self, *args)
9042 
9043  def set_check_level(self, *args):
9044  """set_check_level(CHARMMAtom self, IMP::base::CheckLevel a0)"""
9045  return _IMP_atom.CHARMMAtom_set_check_level(self, *args)
9046 
9047  def add_to_derivative(self, *args):
9048  """add_to_derivative(CHARMMAtom self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9049  return _IMP_atom.CHARMMAtom_add_to_derivative(self, *args)
9050 
9051  def set_is_optimized(self, *args):
9052  """set_is_optimized(CHARMMAtom self, FloatKey a0, bool a1)"""
9053  return _IMP_atom.CHARMMAtom_set_is_optimized(self, *args)
9054 
9055  def get_is_optimized(self, *args):
9056  """get_is_optimized(CHARMMAtom self, FloatKey a0) -> bool"""
9057  return _IMP_atom.CHARMMAtom_get_is_optimized(self, *args)
9058 
9059  def get_check_level(self):
9060  """get_check_level(CHARMMAtom self) -> IMP::base::CheckLevel"""
9061  return _IMP_atom.CHARMMAtom_get_check_level(self)
9062 
9063  def __eq__(self, *args):
9064  """
9065  __eq__(CHARMMAtom self, CHARMMAtom o) -> bool
9066  __eq__(CHARMMAtom self, Particle d) -> bool
9067  """
9068  return _IMP_atom.CHARMMAtom___eq__(self, *args)
9069 
9070  def __ne__(self, *args):
9071  """
9072  __ne__(CHARMMAtom self, CHARMMAtom o) -> bool
9073  __ne__(CHARMMAtom self, Particle d) -> bool
9074  """
9075  return _IMP_atom.CHARMMAtom___ne__(self, *args)
9076 
9077  def __le__(self, *args):
9078  """
9079  __le__(CHARMMAtom self, CHARMMAtom o) -> bool
9080  __le__(CHARMMAtom self, Particle d) -> bool
9081  """
9082  return _IMP_atom.CHARMMAtom___le__(self, *args)
9083 
9084  def __lt__(self, *args):
9085  """
9086  __lt__(CHARMMAtom self, CHARMMAtom o) -> bool
9087  __lt__(CHARMMAtom self, Particle d) -> bool
9088  """
9089  return _IMP_atom.CHARMMAtom___lt__(self, *args)
9090 
9091  def __ge__(self, *args):
9092  """
9093  __ge__(CHARMMAtom self, CHARMMAtom o) -> bool
9094  __ge__(CHARMMAtom self, Particle d) -> bool
9095  """
9096  return _IMP_atom.CHARMMAtom___ge__(self, *args)
9097 
9098  def __gt__(self, *args):
9099  """
9100  __gt__(CHARMMAtom self, CHARMMAtom o) -> bool
9101  __gt__(CHARMMAtom self, Particle d) -> bool
9102  """
9103  return _IMP_atom.CHARMMAtom___gt__(self, *args)
9104 
9105  def __str__(self):
9106  """__str__(CHARMMAtom self) -> std::string"""
9107  return _IMP_atom.CHARMMAtom___str__(self)
9108 
9109  def __repr__(self):
9110  """__repr__(CHARMMAtom self) -> std::string"""
9111  return _IMP_atom.CHARMMAtom___repr__(self)
9112 
9113  __swig_destroy__ = _IMP_atom.delete_CHARMMAtom
9114  __del__ = lambda self : None;
9115 CHARMMAtom_swigregister = _IMP_atom.CHARMMAtom_swigregister
9116 CHARMMAtom_swigregister(CHARMMAtom)
9117 
9118 def CHARMMAtom_setup_particle(*args):
9119  """
9120  setup_particle(Model m, IMP::kernel::ParticleIndex pi, IMP::String charmm_type) -> CHARMMAtom
9121  CHARMMAtom_setup_particle(_ParticleAdaptor decorator, IMP::String charmm_type) -> CHARMMAtom
9122  """
9123  return _IMP_atom.CHARMMAtom_setup_particle(*args)
9124 
9125 def CHARMMAtom_get_is_setup(*args):
9126  """
9127  get_is_setup(_ParticleAdaptor p) -> bool
9128  CHARMMAtom_get_is_setup(Model m, IMP::kernel::ParticleIndex pi) -> bool
9129  """
9130  return _IMP_atom.CHARMMAtom_get_is_setup(*args)
9131 
9132 def CHARMMAtom_get_charmm_type_key():
9133  """CHARMMAtom_get_charmm_type_key() -> StringKey"""
9134  return _IMP_atom.CHARMMAtom_get_charmm_type_key()
9135 
9136 
9137 def get_charmm_untyped_atoms(*args):
9138  """get_charmm_untyped_atoms(Hierarchy hierarchy) -> IMP::atom::Atoms"""
9139  return _IMP_atom.get_charmm_untyped_atoms(*args)
9140 
9141 def remove_charmm_untyped_atoms(*args):
9142  """remove_charmm_untyped_atoms(Hierarchy hierarchy)"""
9143  return _IMP_atom.remove_charmm_untyped_atoms(*args)
9144 class CHARMMBondParameters(_object):
9145  """Proxy of C++ IMP::atom::CHARMMBondParameters class"""
9146  __swig_setmethods__ = {}
9147  __setattr__ = lambda self, name, value: _swig_setattr(self, CHARMMBondParameters, name, value)
9148  __swig_getmethods__ = {}
9149  __getattr__ = lambda self, name: _swig_getattr(self, CHARMMBondParameters, name)
9150  __swig_setmethods__["force_constant"] = _IMP_atom.CHARMMBondParameters_force_constant_set
9151  __swig_getmethods__["force_constant"] = _IMP_atom.CHARMMBondParameters_force_constant_get
9152  if _newclass:force_constant = _swig_property(_IMP_atom.CHARMMBondParameters_force_constant_get, _IMP_atom.CHARMMBondParameters_force_constant_set)
9153  __swig_setmethods__["ideal"] = _IMP_atom.CHARMMBondParameters_ideal_set
9154  __swig_getmethods__["ideal"] = _IMP_atom.CHARMMBondParameters_ideal_get
9155  if _newclass:ideal = _swig_property(_IMP_atom.CHARMMBondParameters_ideal_get, _IMP_atom.CHARMMBondParameters_ideal_set)
9156  def __init__(self):
9157  """__init__(IMP::atom::CHARMMBondParameters self) -> CHARMMBondParameters"""
9158  this = _IMP_atom.new_CHARMMBondParameters()
9159  try: self.this.append(this)
9160  except: self.this = this
9161  def show(self, *args):
9162  """
9163  show(CHARMMBondParameters self, _ostream out=std::cout)
9164  show(CHARMMBondParameters self)
9165  """
9166  return _IMP_atom.CHARMMBondParameters_show(self, *args)
9167 
9168  def __str__(self):
9169  """__str__(CHARMMBondParameters self) -> std::string"""
9170  return _IMP_atom.CHARMMBondParameters___str__(self)
9171 
9172  def __repr__(self):
9173  """__repr__(CHARMMBondParameters self) -> std::string"""
9174  return _IMP_atom.CHARMMBondParameters___repr__(self)
9175 
9176  __swig_destroy__ = _IMP_atom.delete_CHARMMBondParameters
9177  __del__ = lambda self : None;
9178 CHARMMBondParameters_swigregister = _IMP_atom.CHARMMBondParameters_swigregister
9179 CHARMMBondParameters_swigregister(CHARMMBondParameters)
9180 
9181 class CHARMMDihedralParameters(_object):
9182  """Proxy of C++ IMP::atom::CHARMMDihedralParameters class"""
9183  __swig_setmethods__ = {}
9184  __setattr__ = lambda self, name, value: _swig_setattr(self, CHARMMDihedralParameters, name, value)
9185  __swig_getmethods__ = {}
9186  __getattr__ = lambda self, name: _swig_getattr(self, CHARMMDihedralParameters, name)
9187  __swig_setmethods__["force_constant"] = _IMP_atom.CHARMMDihedralParameters_force_constant_set
9188  __swig_getmethods__["force_constant"] = _IMP_atom.CHARMMDihedralParameters_force_constant_get
9189  if _newclass:force_constant = _swig_property(_IMP_atom.CHARMMDihedralParameters_force_constant_get, _IMP_atom.CHARMMDihedralParameters_force_constant_set)
9190  __swig_setmethods__["multiplicity"] = _IMP_atom.CHARMMDihedralParameters_multiplicity_set
9191  __swig_getmethods__["multiplicity"] = _IMP_atom.CHARMMDihedralParameters_multiplicity_get
9192  if _newclass:multiplicity = _swig_property(_IMP_atom.CHARMMDihedralParameters_multiplicity_get, _IMP_atom.CHARMMDihedralParameters_multiplicity_set)
9193  __swig_setmethods__["ideal"] = _IMP_atom.CHARMMDihedralParameters_ideal_set
9194  __swig_getmethods__["ideal"] = _IMP_atom.CHARMMDihedralParameters_ideal_get
9195  if _newclass:ideal = _swig_property(_IMP_atom.CHARMMDihedralParameters_ideal_get, _IMP_atom.CHARMMDihedralParameters_ideal_set)
9196  def __init__(self):
9197  """__init__(IMP::atom::CHARMMDihedralParameters self) -> CHARMMDihedralParameters"""
9198  this = _IMP_atom.new_CHARMMDihedralParameters()
9199  try: self.this.append(this)
9200  except: self.this = this
9201  def show(self, *args):
9202  """
9203  show(CHARMMDihedralParameters self, _ostream out=std::cout)
9204  show(CHARMMDihedralParameters self)
9205  """
9206  return _IMP_atom.CHARMMDihedralParameters_show(self, *args)
9207 
9208  def __str__(self):
9209  """__str__(CHARMMDihedralParameters self) -> std::string"""
9210  return _IMP_atom.CHARMMDihedralParameters___str__(self)
9211 
9212  def __repr__(self):
9213  """__repr__(CHARMMDihedralParameters self) -> std::string"""
9214  return _IMP_atom.CHARMMDihedralParameters___repr__(self)
9215 
9216  __swig_destroy__ = _IMP_atom.delete_CHARMMDihedralParameters
9217  __del__ = lambda self : None;
9218 CHARMMDihedralParameters_swigregister = _IMP_atom.CHARMMDihedralParameters_swigregister
9219 CHARMMDihedralParameters_swigregister(CHARMMDihedralParameters)
9220 
9221 class CHARMMParameters(ForceFieldParameters):
9222  """Proxy of C++ IMP::atom::CHARMMParameters class"""
9223  __swig_setmethods__ = {}
9224  for _s in [ForceFieldParameters]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
9225  __setattr__ = lambda self, name, value: _swig_setattr(self, CHARMMParameters, name, value)
9226  __swig_getmethods__ = {}
9227  for _s in [ForceFieldParameters]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
9228  __getattr__ = lambda self, name: _swig_getattr(self, CHARMMParameters, name)
9229  def __init__(self, *args):
9230  """
9231  __init__(IMP::atom::CHARMMParameters self, TextInput topology_file_name, TextInput par_file_name=IMP::base::TextInput(), bool translate_names_to_pdb=False) -> CHARMMParameters
9232  __init__(IMP::atom::CHARMMParameters self, TextInput topology_file_name, TextInput par_file_name=IMP::base::TextInput()) -> CHARMMParameters
9233  __init__(IMP::atom::CHARMMParameters self, TextInput topology_file_name) -> CHARMMParameters
9234  """
9235  this = _IMP_atom.new_CHARMMParameters(*args)
9236  try: self.this.append(this)
9237  except: self.this = this
9238  def add_residue_topology(self, *args):
9239  """add_residue_topology(CHARMMParameters self, CHARMMIdealResidueTopology res)"""
9240  return _IMP_atom.CHARMMParameters_add_residue_topology(self, *args)
9241 
9242  def get_residue_topology(self, *args):
9243  """get_residue_topology(CHARMMParameters self, ResidueType type) -> CHARMMIdealResidueTopology"""
9244  return _IMP_atom.CHARMMParameters_get_residue_topology(self, *args)
9245 
9246  def add_patch(self, *args):
9247  """add_patch(CHARMMParameters self, CHARMMPatch patch)"""
9248  return _IMP_atom.CHARMMParameters_add_patch(self, *args)
9249 
9250  def get_patch(self, *args):
9251  """get_patch(CHARMMParameters self, std::string name) -> CHARMMPatch"""
9252  return _IMP_atom.CHARMMParameters_get_patch(self, *args)
9253 
9254  def create_topology(self, *args):
9255  """create_topology(CHARMMParameters self, Hierarchy hierarchy) -> CHARMMTopology"""
9256  return _IMP_atom.CHARMMParameters_create_topology(self, *args)
9257 
9258  def get_bond_parameters(self, *args):
9259  """get_bond_parameters(CHARMMParameters self, std::string type1, std::string type2) -> CHARMMBondParameters"""
9260  return _IMP_atom.CHARMMParameters_get_bond_parameters(self, *args)
9261 
9262  def get_angle_parameters(self, *args):
9263  """get_angle_parameters(CHARMMParameters self, std::string type1, std::string type2, std::string type3) -> CHARMMBondParameters"""
9264  return _IMP_atom.CHARMMParameters_get_angle_parameters(self, *args)
9265 
9266  def get_dihedral_parameters(self, *args):
9267  """get_dihedral_parameters(CHARMMParameters self, std::string type1, std::string type2, std::string type3, std::string type4) -> IMP::atom::CHARMMDihedralParametersList"""
9268  return _IMP_atom.CHARMMParameters_get_dihedral_parameters(self, *args)
9269 
9270  def get_improper_parameters(self, *args):
9271  """get_improper_parameters(CHARMMParameters self, std::string type1, std::string type2, std::string type3, std::string type4) -> CHARMMDihedralParameters"""
9272  return _IMP_atom.CHARMMParameters_get_improper_parameters(self, *args)
9273 
9274  def create_angles(self, *args):
9275  """create_angles(CHARMMParameters self, IMP::kernel::Particles bonds) -> IMP::kernel::Particles"""
9276  return _IMP_atom.CHARMMParameters_create_angles(self, *args)
9277 
9278  def create_dihedrals(self, *args):
9279  """create_dihedrals(CHARMMParameters self, IMP::kernel::Particles bonds) -> IMP::kernel::Particles"""
9280  return _IMP_atom.CHARMMParameters_create_dihedrals(self, *args)
9281 
9282  def get_version_info(self):
9283  """get_version_info(CHARMMParameters self) -> VersionInfo"""
9284  return _IMP_atom.CHARMMParameters_get_version_info(self)
9285 
9286  def do_show(self, *args):
9287  """do_show(CHARMMParameters self, _ostream out)"""
9288  return _IMP_atom.CHARMMParameters_do_show(self, *args)
9289 
9290  __swig_destroy__ = _IMP_atom.delete_CHARMMParameters
9291  __del__ = lambda self : None;
9292  def __str__(self):
9293  """__str__(CHARMMParameters self) -> std::string"""
9294  return _IMP_atom.CHARMMParameters___str__(self)
9295 
9296  def __repr__(self):
9297  """__repr__(CHARMMParameters self) -> std::string"""
9298  return _IMP_atom.CHARMMParameters___repr__(self)
9299 
9300  def get_from(o):
9301  return _object_cast_to_CHARMMParameters(o)
9302  get_from = staticmethod(get_from)
9303 
9304 CHARMMParameters_swigregister = _IMP_atom.CHARMMParameters_swigregister
9305 CHARMMParameters_swigregister(CHARMMParameters)
9306 
9307 
9309  """get_heavy_atom_CHARMM_parameters() -> CHARMMParameters"""
9310  return _IMP_atom.get_heavy_atom_CHARMM_parameters()
9311 
9313  """get_all_atom_CHARMM_parameters() -> CHARMMParameters"""
9314  return _IMP_atom.get_all_atom_CHARMM_parameters()
9315 class CHARMMSegmentTopology(IMP.base.Object):
9316  """Proxy of C++ IMP::atom::CHARMMSegmentTopology class"""
9317  __swig_setmethods__ = {}
9318  for _s in [IMP.base.Object]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
9319  __setattr__ = lambda self, name, value: _swig_setattr(self, CHARMMSegmentTopology, name, value)
9320  __swig_getmethods__ = {}
9321  for _s in [IMP.base.Object]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
9322  __getattr__ = lambda self, name: _swig_getattr(self, CHARMMSegmentTopology, name)
9323  def remove_residue(self, *args):
9324  """remove_residue(CHARMMSegmentTopology self, CHARMMResidueTopology d)"""
9325  return _IMP_atom.CHARMMSegmentTopology_remove_residue(self, *args)
9326 
9327  def remove_residues(self, *args):
9328  """remove_residues(CHARMMSegmentTopology self, IMP::atom::CHARMMResidueTopologies const & d)"""
9329  return _IMP_atom.CHARMMSegmentTopology_remove_residues(self, *args)
9330 
9331  def set_residues(self, *args):
9332  """set_residues(CHARMMSegmentTopology self, IMP::atom::CHARMMResidueTopologies const & ps)"""
9333  return _IMP_atom.CHARMMSegmentTopology_set_residues(self, *args)
9334 
9335  def set_residues_order(self, *args):
9336  """set_residues_order(CHARMMSegmentTopology self, IMP::atom::CHARMMResidueTopologies const & objs)"""
9337  return _IMP_atom.CHARMMSegmentTopology_set_residues_order(self, *args)
9338 
9339  def add_residue(self, *args):
9340  """add_residue(CHARMMSegmentTopology self, CHARMMResidueTopology obj) -> unsigned int"""
9341  return _IMP_atom.CHARMMSegmentTopology_add_residue(self, *args)
9342 
9343  def add_residues(self, *args):
9344  """add_residues(CHARMMSegmentTopology self, IMP::atom::CHARMMResidueTopologies const & objs)"""
9345  return _IMP_atom.CHARMMSegmentTopology_add_residues(self, *args)
9346 
9347  def clear_residues(self):
9348  """clear_residues(CHARMMSegmentTopology self)"""
9349  return _IMP_atom.CHARMMSegmentTopology_clear_residues(self)
9350 
9351  def get_number_of_residues(self):
9352  """get_number_of_residues(CHARMMSegmentTopology self) -> unsigned int"""
9353  return _IMP_atom.CHARMMSegmentTopology_get_number_of_residues(self)
9354 
9355  def get_has_residues(self):
9356  """get_has_residues(CHARMMSegmentTopology self) -> bool"""
9357  return _IMP_atom.CHARMMSegmentTopology_get_has_residues(self)
9358 
9359  def get_residue(self, *args):
9360  """get_residue(CHARMMSegmentTopology self, unsigned int i) -> CHARMMResidueTopology"""
9361  return _IMP_atom.CHARMMSegmentTopology_get_residue(self, *args)
9362 
9363  def get_residues(self):
9364  """get_residues(CHARMMSegmentTopology self) -> IMP::atom::CHARMMResidueTopologies"""
9365  return _IMP_atom.CHARMMSegmentTopology_get_residues(self)
9366 
9367  def reserve_residues(self, *args):
9368  """reserve_residues(CHARMMSegmentTopology self, unsigned int sz)"""
9369  return _IMP_atom.CHARMMSegmentTopology_reserve_residues(self, *args)
9370 
9371  def get_version_info(self):
9372  """get_version_info(CHARMMSegmentTopology self) -> VersionInfo"""
9373  return _IMP_atom.CHARMMSegmentTopology_get_version_info(self)
9374 
9375  def __init__(self, name="CHARMM segment topology %1%"):
9376  """
9377  __init__(IMP::atom::CHARMMSegmentTopology self, std::string name="CHARMM segment topology %1%") -> CHARMMSegmentTopology
9378  __init__(IMP::atom::CHARMMSegmentTopology self) -> CHARMMSegmentTopology
9379  """
9380  this = _IMP_atom.new_CHARMMSegmentTopology(name)
9381  try: self.this.append(this)
9382  except: self.this = this
9383  def apply_default_patches(self, *args):
9384  """apply_default_patches(CHARMMSegmentTopology self, CHARMMParameters ff)"""
9385  return _IMP_atom.CHARMMSegmentTopology_apply_default_patches(self, *args)
9386 
9387  def __str__(self):
9388  """__str__(CHARMMSegmentTopology self) -> std::string"""
9389  return _IMP_atom.CHARMMSegmentTopology___str__(self)
9390 
9391  def __repr__(self):
9392  """__repr__(CHARMMSegmentTopology self) -> std::string"""
9393  return _IMP_atom.CHARMMSegmentTopology___repr__(self)
9394 
9395  def get_from(o):
9396  return _object_cast_to_CHARMMSegmentTopology(o)
9397  get_from = staticmethod(get_from)
9398 
9399 CHARMMSegmentTopology_swigregister = _IMP_atom.CHARMMSegmentTopology_swigregister
9400 CHARMMSegmentTopology_swigregister(CHARMMSegmentTopology)
9401 
9402 class CHARMMTopology(IMP.base.Object):
9403  """Proxy of C++ IMP::atom::CHARMMTopology class"""
9404  __swig_setmethods__ = {}
9405  for _s in [IMP.base.Object]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
9406  __setattr__ = lambda self, name, value: _swig_setattr(self, CHARMMTopology, name, value)
9407  __swig_getmethods__ = {}
9408  for _s in [IMP.base.Object]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
9409  __getattr__ = lambda self, name: _swig_getattr(self, CHARMMTopology, name)
9410  def __init__(self, *args):
9411  """
9412  __init__(IMP::atom::CHARMMTopology self, CHARMMParameters force_field, std::string name="CHARMM topology %1%") -> CHARMMTopology
9413  __init__(IMP::atom::CHARMMTopology self, CHARMMParameters force_field) -> CHARMMTopology
9414  """
9415  this = _IMP_atom.new_CHARMMTopology(*args)
9416  try: self.this.append(this)
9417  except: self.this = this
9418  def get_parameters(self):
9419  """get_parameters(CHARMMTopology self) -> CHARMMParameters"""
9420  return _IMP_atom.CHARMMTopology_get_parameters(self)
9421 
9422  def add_sequence(self, *args):
9423  """add_sequence(CHARMMTopology self, std::string sequence)"""
9424  return _IMP_atom.CHARMMTopology_add_sequence(self, *args)
9425 
9426  def apply_default_patches(self):
9427  """apply_default_patches(CHARMMTopology self)"""
9428  return _IMP_atom.CHARMMTopology_apply_default_patches(self)
9429 
9430  def create_hierarchy(self, *args):
9431  """create_hierarchy(CHARMMTopology self, Model model) -> Hierarchy"""
9432  return _IMP_atom.CHARMMTopology_create_hierarchy(self, *args)
9433 
9434  def add_atom_types(self, *args):
9435  """add_atom_types(CHARMMTopology self, Hierarchy hierarchy)"""
9436  return _IMP_atom.CHARMMTopology_add_atom_types(self, *args)
9437 
9438  def add_coordinates(self, *args):
9439  """add_coordinates(CHARMMTopology self, Hierarchy hierarchy)"""
9440  return _IMP_atom.CHARMMTopology_add_coordinates(self, *args)
9441 
9442  def add_missing_atoms(self, *args):
9443  """add_missing_atoms(CHARMMTopology self, Hierarchy hierarchy)"""
9444  return _IMP_atom.CHARMMTopology_add_missing_atoms(self, *args)
9445 
9446  def setup_hierarchy(self, *args):
9447  """setup_hierarchy(CHARMMTopology self, Hierarchy hierarchy)"""
9448  return _IMP_atom.CHARMMTopology_setup_hierarchy(self, *args)
9449 
9450  def add_charges(self, *args):
9451  """add_charges(CHARMMTopology self, Hierarchy hierarchy)"""
9452  return _IMP_atom.CHARMMTopology_add_charges(self, *args)
9453 
9454  def add_bonds(self, *args):
9455  """add_bonds(CHARMMTopology self, Hierarchy hierarchy) -> IMP::kernel::Particles"""
9456  return _IMP_atom.CHARMMTopology_add_bonds(self, *args)
9457 
9458  def add_dihedrals(self, *args):
9459  """add_dihedrals(CHARMMTopology self, Hierarchy hierarchy) -> IMP::kernel::Particles"""
9460  return _IMP_atom.CHARMMTopology_add_dihedrals(self, *args)
9461 
9462  def add_impropers(self, *args):
9463  """add_impropers(CHARMMTopology self, Hierarchy hierarchy) -> IMP::kernel::Particles"""
9464  return _IMP_atom.CHARMMTopology_add_impropers(self, *args)
9465 
9466  def remove_segment(self, *args):
9467  """remove_segment(CHARMMTopology self, CHARMMSegmentTopology d)"""
9468  return _IMP_atom.CHARMMTopology_remove_segment(self, *args)
9469 
9470  def remove_segments(self, *args):
9471  """remove_segments(CHARMMTopology self, IMP::atom::CHARMMSegmentTopologies const & d)"""
9472  return _IMP_atom.CHARMMTopology_remove_segments(self, *args)
9473 
9474  def set_segments(self, *args):
9475  """set_segments(CHARMMTopology self, IMP::atom::CHARMMSegmentTopologies const & ps)"""
9476  return _IMP_atom.CHARMMTopology_set_segments(self, *args)
9477 
9478  def set_segments_order(self, *args):
9479  """set_segments_order(CHARMMTopology self, IMP::atom::CHARMMSegmentTopologies const & objs)"""
9480  return _IMP_atom.CHARMMTopology_set_segments_order(self, *args)
9481 
9482  def add_segment(self, *args):
9483  """add_segment(CHARMMTopology self, CHARMMSegmentTopology obj) -> unsigned int"""
9484  return _IMP_atom.CHARMMTopology_add_segment(self, *args)
9485 
9486  def add_segments(self, *args):
9487  """add_segments(CHARMMTopology self, IMP::atom::CHARMMSegmentTopologies const & objs)"""
9488  return _IMP_atom.CHARMMTopology_add_segments(self, *args)
9489 
9490  def clear_segments(self):
9491  """clear_segments(CHARMMTopology self)"""
9492  return _IMP_atom.CHARMMTopology_clear_segments(self)
9493 
9494  def get_number_of_segments(self):
9495  """get_number_of_segments(CHARMMTopology self) -> unsigned int"""
9496  return _IMP_atom.CHARMMTopology_get_number_of_segments(self)
9497 
9498  def get_has_segments(self):
9499  """get_has_segments(CHARMMTopology self) -> bool"""
9500  return _IMP_atom.CHARMMTopology_get_has_segments(self)
9501 
9502  def get_segment(self, *args):
9503  """get_segment(CHARMMTopology self, unsigned int i) -> CHARMMSegmentTopology"""
9504  return _IMP_atom.CHARMMTopology_get_segment(self, *args)
9505 
9506  def get_segments(self):
9507  """get_segments(CHARMMTopology self) -> IMP::atom::CHARMMSegmentTopologies"""
9508  return _IMP_atom.CHARMMTopology_get_segments(self)
9509 
9510  def reserve_segments(self, *args):
9511  """reserve_segments(CHARMMTopology self, unsigned int sz)"""
9512  return _IMP_atom.CHARMMTopology_reserve_segments(self, *args)
9513 
9514  def get_version_info(self):
9515  """get_version_info(CHARMMTopology self) -> VersionInfo"""
9516  return _IMP_atom.CHARMMTopology_get_version_info(self)
9517 
9518  def __str__(self):
9519  """__str__(CHARMMTopology self) -> std::string"""
9520  return _IMP_atom.CHARMMTopology___str__(self)
9521 
9522  def __repr__(self):
9523  """__repr__(CHARMMTopology self) -> std::string"""
9524  return _IMP_atom.CHARMMTopology___repr__(self)
9525 
9526  def get_from(o):
9527  return _object_cast_to_CHARMMTopology(o)
9528  get_from = staticmethod(get_from)
9529 
9530 CHARMMTopology_swigregister = _IMP_atom.CHARMMTopology_swigregister
9531 CHARMMTopology_swigregister(CHARMMTopology)
9532 
9533 class CHARMMStereochemistryRestraint(IMP.kernel.Restraint):
9534  """Proxy of C++ IMP::atom::CHARMMStereochemistryRestraint class"""
9535  __swig_setmethods__ = {}
9536  for _s in [IMP.kernel.Restraint]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
9537  __setattr__ = lambda self, name, value: _swig_setattr(self, CHARMMStereochemistryRestraint, name, value)
9538  __swig_getmethods__ = {}
9539  for _s in [IMP.kernel.Restraint]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
9540  __getattr__ = lambda self, name: _swig_getattr(self, CHARMMStereochemistryRestraint, name)
9541  def __init__(self, *args):
9542  """
9543  __init__(IMP::atom::CHARMMStereochemistryRestraint self, Hierarchy h, CHARMMTopology topology) -> CHARMMStereochemistryRestraint
9544  __init__(IMP::atom::CHARMMStereochemistryRestraint self, Hierarchy h, CHARMMTopology topology, IMP::kernel::ParticlesTemp limit_to_these_particles) -> CHARMMStereochemistryRestraint
9545  """
9546  this = _IMP_atom.new_CHARMMStereochemistryRestraint(*args)
9547  try: self.this.append(this)
9548  except: self.this = this
9549  def get_pair_filter(self):
9550  """get_pair_filter(CHARMMStereochemistryRestraint self) -> StereochemistryPairFilter"""
9551  return _IMP_atom.CHARMMStereochemistryRestraint_get_pair_filter(self)
9552 
9553  def get_full_pair_filter(self):
9554  """get_full_pair_filter(CHARMMStereochemistryRestraint self) -> StereochemistryPairFilter"""
9555  return _IMP_atom.CHARMMStereochemistryRestraint_get_full_pair_filter(self)
9556 
9557  def do_get_inputs(self):
9558  """do_get_inputs(CHARMMStereochemistryRestraint self) -> IMP::kernel::ModelObjectsTemp"""
9559  return _IMP_atom.CHARMMStereochemistryRestraint_do_get_inputs(self)
9560 
9561  def get_version_info(self):
9562  """get_version_info(CHARMMStereochemistryRestraint self) -> VersionInfo"""
9563  return _IMP_atom.CHARMMStereochemistryRestraint_get_version_info(self)
9564 
9565  def __str__(self):
9566  """__str__(CHARMMStereochemistryRestraint self) -> std::string"""
9567  return _IMP_atom.CHARMMStereochemistryRestraint___str__(self)
9568 
9569  def __repr__(self):
9570  """__repr__(CHARMMStereochemistryRestraint self) -> std::string"""
9571  return _IMP_atom.CHARMMStereochemistryRestraint___repr__(self)
9572 
9573  def get_from(o):
9574  return _object_cast_to_CHARMMStereochemistryRestraint(o)
9575  get_from = staticmethod(get_from)
9576 
9577 CHARMMStereochemistryRestraint_swigregister = _IMP_atom.CHARMMStereochemistryRestraint_swigregister
9578 CHARMMStereochemistryRestraint_swigregister(CHARMMStereochemistryRestraint)
9579 
9580 
9581 def add_bonds(*args):
9582  """
9583  add_bonds(Hierarchy d, ForceFieldParameters ffp=IMP::atom::get_all_atom_CHARMM_parameters())
9584  add_bonds(Hierarchy d)
9585  """
9586  return _IMP_atom.add_bonds(*args)
9587 
9588 def add_radii(*args):
9589  """
9590  add_radii(Hierarchy d, ForceFieldParameters ffp=IMP::atom::get_all_atom_CHARMM_parameters(),
9591  FloatKey radius_key=FloatKey("radius"))
9592  add_radii(Hierarchy d, ForceFieldParameters ffp=IMP::atom::get_all_atom_CHARMM_parameters())
9593  add_radii(Hierarchy d)
9594  """
9595  return _IMP_atom.add_radii(*args)
9596 ALBER = _IMP_atom.ALBER
9597 HARPAZ = _IMP_atom.HARPAZ
9598 ANDERSSON = _IMP_atom.ANDERSSON
9599 TSAI = _IMP_atom.TSAI
9600 QUILLIN = _IMP_atom.QUILLIN
9601 SQUIRE = _IMP_atom.SQUIRE
9602 
9604  """get_protein_density_from_reference(IMP::atom::ProteinDensityReference densityReference) -> double"""
9605  return _IMP_atom.get_protein_density_from_reference(*args)
9606 
9607 def get_volume_from_mass(*args):
9608  """
9609  get_volume_from_mass(double m, IMP::atom::ProteinDensityReference ref=ALBER) -> double
9610  get_volume_from_mass(double m) -> double
9611  """
9612  return _IMP_atom.get_volume_from_mass(*args)
9613 
9614 def get_mass_from_volume(*args):
9615  """
9616  get_mass_from_volume(double v, IMP::atom::ProteinDensityReference ref=ALBER) -> double
9617  get_mass_from_volume(double v) -> double
9618  """
9619  return _IMP_atom.get_mass_from_volume(*args)
9620 
9622  """get_mass_from_number_of_residues(unsigned int num_aa) -> double"""
9623  return _IMP_atom.get_mass_from_number_of_residues(*args)
9624 
9625 def get_volume_from_residue_type(*args):
9626  """get_volume_from_residue_type(ResidueType rt) -> double"""
9627  return _IMP_atom.get_volume_from_residue_type(*args)
9628 
9629 def get_molarity(*args):
9630  """get_molarity(double n, double volume) -> double"""
9631  return _IMP_atom.get_molarity(*args)
9632 
9633 def get_kd(*args):
9634  """get_kd(double na, double nb, double nab, double volume) -> double"""
9635  return _IMP_atom.get_kd(*args)
9636 
9638  """get_einstein_diffusion_coefficient(double r) -> double"""
9639  return _IMP_atom.get_einstein_diffusion_coefficient(*args)
9640 
9642  """get_einstein_rotational_diffusion_coefficient(double r) -> double"""
9643  return _IMP_atom.get_einstein_rotational_diffusion_coefficient(*args)
9644 
9645 def get_diffusion_length(*args):
9646  """
9647  get_diffusion_length(double D, double t) -> double
9648  get_diffusion_length(double D, double force, double t, double temp=273) -> double
9649  get_diffusion_length(double D, double force, double t) -> double
9650  """
9651  return _IMP_atom.get_diffusion_length(*args)
9652 
9653 def get_diffusion_angle(*args):
9654  """get_diffusion_angle(double D, double dtfs) -> double"""
9655  return _IMP_atom.get_diffusion_angle(*args)
9656 
9657 def get_diffusion_coefficient(*args):
9658  """get_diffusion_coefficient(IMP::algebra::Vector3Ds const & displacements, double dt) -> double"""
9659  return _IMP_atom.get_diffusion_coefficient(*args)
9660 
9662  """get_rotational_diffusion_coefficient(IMP::algebra::Rotation3Ds const & displacements, double dt) -> double"""
9663  return _IMP_atom.get_rotational_diffusion_coefficient(*args)
9664 class EzRestraint(IMP.kernel.Restraint):
9665  """Proxy of C++ IMP::atom::EzRestraint class"""
9666  __swig_setmethods__ = {}
9667  for _s in [IMP.kernel.Restraint]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
9668  __setattr__ = lambda self, name, value: _swig_setattr(self, EzRestraint, name, value)
9669  __swig_getmethods__ = {}
9670  for _s in [IMP.kernel.Restraint]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
9671  __getattr__ = lambda self, name: _swig_getattr(self, EzRestraint, name)
9672  def __init__(self, *args):
9673  """__init__(IMP::atom::EzRestraint self, IMP::kernel::Particles ps) -> EzRestraint"""
9674  this = _IMP_atom.new_EzRestraint(*args)
9675  try: self.this.append(this)
9676  except: self.this = this
9677  def get_version_info(self):
9678  """get_version_info(EzRestraint self) -> VersionInfo"""
9679  return _IMP_atom.EzRestraint_get_version_info(self)
9680 
9681  def __str__(self):
9682  """__str__(EzRestraint self) -> std::string"""
9683  return _IMP_atom.EzRestraint___str__(self)
9684 
9685  def __repr__(self):
9686  """__repr__(EzRestraint self) -> std::string"""
9687  return _IMP_atom.EzRestraint___repr__(self)
9688 
9689  def get_from(o):
9690  return _object_cast_to_EzRestraint(o)
9691  get_from = staticmethod(get_from)
9692 
9693 EzRestraint_swigregister = _IMP_atom.EzRestraint_swigregister
9694 EzRestraint_swigregister(EzRestraint)
9695 
9696 
9697 def create_protein(*args):
9698  """
9699  create_protein(Model m, std::string name, double target_radius, int number_of_residues, int first_residue_index=0,
9700  double volume=-1, bool ismol=True) -> Hierarchy
9701  create_protein(Model m, std::string name, double target_radius, int number_of_residues, int first_residue_index=0,
9702  double volume=-1) -> Hierarchy
9703  create_protein(Model m, std::string name, double target_radius, int number_of_residues, int first_residue_index=0) -> Hierarchy
9704  create_protein(Model m, std::string name, double target_radius, int number_of_residues) -> Hierarchy
9705  create_protein(Model m, std::string name, double target_radius, IMP::Ints const domain_boundaries) -> Hierarchy
9706  """
9707  return _IMP_atom.create_protein(*args)
9708 
9710  """
9711  create_simplified_along_backbone(Hierarchy input, int num_res, bool keep_detailed=False) -> Hierarchy
9712  create_simplified_along_backbone(Hierarchy input, int num_res) -> Hierarchy
9713  create_simplified_along_backbone(Chain input, IMP::IntRanges const & residue_segments, bool keep_detailed=False) -> Hierarchy
9714  create_simplified_along_backbone(Chain input, IMP::IntRanges const & residue_segments) -> Hierarchy
9715  """
9716  return _IMP_atom.create_simplified_along_backbone(*args)
9717 
9719  """create_simplified_from_volume(Hierarchy h, double resolution) -> Hierarchy"""
9720  return _IMP_atom.create_simplified_from_volume(*args)
9721 
9723  """create_simplified_assembly_from_volume(Hierarchy h, double resolution) -> Hierarchy"""
9724  return _IMP_atom.create_simplified_assembly_from_volume(*args)
9725 
9726 def get_residue_indexes(*args):
9727  """get_residue_indexes(Hierarchy h) -> IMP::Ints"""
9728  return _IMP_atom.get_residue_indexes(*args)
9729 
9730 def get_residue_type(*args):
9731  """
9732  get_residue_type(char c) -> ResidueType
9733  get_residue_type(Hierarchy h) -> ResidueType
9734  """
9735  return _IMP_atom.get_residue_type(*args)
9736 
9737 def get_chain_id_char(*args):
9738  """get_chain_id_char(Hierarchy h) -> char"""
9739  return _IMP_atom.get_chain_id_char(*args)
9740 
9741 def get_atom_type(*args):
9742  """get_atom_type(Hierarchy h) -> AtomType"""
9743  return _IMP_atom.get_atom_type(*args)
9744 
9745 def get_domain_name(*args):
9746  """get_domain_name(Hierarchy h) -> std::string"""
9747  return _IMP_atom.get_domain_name(*args)
9748 
9750  """
9751  create_excluded_volume_restraint(IMP::atom::Selections const & s) -> Restraint
9752  create_excluded_volume_restraint(IMP::atom::Hierarchies const & hs, double resolution=-1) -> Restraint
9753  create_excluded_volume_restraint(IMP::atom::Hierarchies const & hs) -> Restraint
9754  """
9755  return _IMP_atom.create_excluded_volume_restraint(*args)
9756 
9757 def setup_as_approximation(*args):
9758  """
9759  setup_as_approximation(Particle h, IMP::kernel::ParticlesTemp const & other, double resolution=-1)
9760  setup_as_approximation(Particle h, IMP::kernel::ParticlesTemp const & other)
9761  setup_as_approximation(Hierarchy h, double resolution=-1)
9762  setup_as_approximation(Hierarchy h)
9763  """
9764  return _IMP_atom.setup_as_approximation(*args)
9765 class _HierarchyTreeVertexIndex(_object):
9766  """Proxy of C++ IMP::atom::HierarchyTreeVertexIndex class"""
9767  __swig_setmethods__ = {}
9768  __setattr__ = lambda self, name, value: _swig_setattr(self, _HierarchyTreeVertexIndex, name, value)
9769  __swig_getmethods__ = {}
9770  __getattr__ = lambda self, name: _swig_getattr(self, _HierarchyTreeVertexIndex, name)
9771  __repr__ = _swig_repr
9772  def __init__(self):
9773  """__init__(IMP::atom::HierarchyTreeVertexIndex self) -> _HierarchyTreeVertexIndex"""
9774  this = _IMP_atom.new__HierarchyTreeVertexIndex()
9775  try: self.this.append(this)
9776  except: self.this = this
9777  __swig_destroy__ = _IMP_atom.delete__HierarchyTreeVertexIndex
9778  __del__ = lambda self : None;
9779 _HierarchyTreeVertexIndex_swigregister = _IMP_atom._HierarchyTreeVertexIndex_swigregister
9780 _HierarchyTreeVertexIndex_swigregister(_HierarchyTreeVertexIndex)
9781 
9782 
9783 def show_as_graphviz(*args):
9784  """show_as_graphviz(IMP::atom::HierarchyTree const & name, TextOutput out)"""
9785  return _IMP_atom.show_as_graphviz(*args)
9786 
9787 def get_vertex_index(*args):
9788  """get_vertex_index(IMP::atom::HierarchyTree const & g) -> _HierarchyTreeVertexIndex"""
9789  return _IMP_atom.get_vertex_index(*args)
9790 
9791 def get_hierarchy_tree(*args):
9792  """get_hierarchy_tree(Hierarchy h) -> IMP::atom::HierarchyTree"""
9793  return _IMP_atom.get_hierarchy_tree(*args)
9794 class HierarchyGeometry(IMP.display.SingletonGeometry):
9795  """Proxy of C++ IMP::atom::HierarchyGeometry class"""
9796  __swig_setmethods__ = {}
9797  for _s in [IMP.display.SingletonGeometry]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
9798  __setattr__ = lambda self, name, value: _swig_setattr(self, HierarchyGeometry, name, value)
9799  __swig_getmethods__ = {}
9800  for _s in [IMP.display.SingletonGeometry]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
9801  __getattr__ = lambda self, name: _swig_getattr(self, HierarchyGeometry, name)
9802  def __init__(self, *args):
9803  """
9804  __init__(IMP::atom::HierarchyGeometry self, Hierarchy d, double resolution=0) -> HierarchyGeometry
9805  __init__(IMP::atom::HierarchyGeometry self, Hierarchy d) -> HierarchyGeometry
9806  """
9807  this = _IMP_atom.new_HierarchyGeometry(*args)
9808  try: self.this.append(this)
9809  except: self.this = this
9810  def get_version_info(self):
9811  """get_version_info(HierarchyGeometry self) -> VersionInfo"""
9812  return _IMP_atom.HierarchyGeometry_get_version_info(self)
9813 
9814  def __str__(self):
9815  """__str__(HierarchyGeometry self) -> std::string"""
9816  return _IMP_atom.HierarchyGeometry___str__(self)
9817 
9818  def __repr__(self):
9819  """__repr__(HierarchyGeometry self) -> std::string"""
9820  return _IMP_atom.HierarchyGeometry___repr__(self)
9821 
9822  def get_from(o):
9823  return _object_cast_to_HierarchyGeometry(o)
9824  get_from = staticmethod(get_from)
9825 
9826 HierarchyGeometry_swigregister = _IMP_atom.HierarchyGeometry_swigregister
9827 HierarchyGeometry_swigregister(HierarchyGeometry)
9828 
9829 class HierarchiesGeometry(IMP.display.SingletonsGeometry):
9830  """Proxy of C++ IMP::atom::HierarchiesGeometry class"""
9831  __swig_setmethods__ = {}
9832  for _s in [IMP.display.SingletonsGeometry]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
9833  __setattr__ = lambda self, name, value: _swig_setattr(self, HierarchiesGeometry, name, value)
9834  __swig_getmethods__ = {}
9835  for _s in [IMP.display.SingletonsGeometry]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
9836  __getattr__ = lambda self, name: _swig_getattr(self, HierarchiesGeometry, name)
9837  def __init__(self, *args):
9838  """
9839  __init__(IMP::atom::HierarchiesGeometry self, SingletonContainer sc, double resolution=-1) -> HierarchiesGeometry
9840  __init__(IMP::atom::HierarchiesGeometry self, SingletonContainer sc) -> HierarchiesGeometry
9841  """
9842  this = _IMP_atom.new_HierarchiesGeometry(*args)
9843  try: self.this.append(this)
9844  except: self.this = this
9845  def get_version_info(self):
9846  """get_version_info(HierarchiesGeometry self) -> VersionInfo"""
9847  return _IMP_atom.HierarchiesGeometry_get_version_info(self)
9848 
9849  def __str__(self):
9850  """__str__(HierarchiesGeometry self) -> std::string"""
9851  return _IMP_atom.HierarchiesGeometry___str__(self)
9852 
9853  def __repr__(self):
9854  """__repr__(HierarchiesGeometry self) -> std::string"""
9855  return _IMP_atom.HierarchiesGeometry___repr__(self)
9856 
9857  def get_from(o):
9858  return _object_cast_to_HierarchiesGeometry(o)
9859  get_from = staticmethod(get_from)
9860 
9861 HierarchiesGeometry_swigregister = _IMP_atom.HierarchiesGeometry_swigregister
9862 HierarchiesGeometry_swigregister(HierarchiesGeometry)
9863 
9864 
9865 def transform(*args):
9866  """
9867  transform(Hierarchy h, Transformation3D tr)
9868  transform(Hierarchy h, Transformation3D tr)
9869  """
9870  return _IMP_atom.transform(*args)
9871 class DopePairScore(_ADopeBase):
9872  """Proxy of C++ IMP::atom::DopePairScore class"""
9873  __swig_setmethods__ = {}
9874  for _s in [_ADopeBase]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
9875  __setattr__ = lambda self, name, value: _swig_setattr(self, DopePairScore, name, value)
9876  __swig_getmethods__ = {}
9877  for _s in [_ADopeBase]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
9878  __getattr__ = lambda self, name: _swig_getattr(self, DopePairScore, name)
9879  def __init__(self, *args):
9880  """
9881  __init__(IMP::atom::DopePairScore self, double threshold=std::numeric_limits< double >::max()) -> DopePairScore
9882  __init__(IMP::atom::DopePairScore self) -> DopePairScore
9883  __init__(IMP::atom::DopePairScore self, double threshold, TextInput data_file) -> DopePairScore
9884  """
9885  this = _IMP_atom.new_DopePairScore(*args)
9886  try: self.this.append(this)
9887  except: self.this = this
9888  def __str__(self):
9889  """__str__(DopePairScore self) -> std::string"""
9890  return _IMP_atom.DopePairScore___str__(self)
9891 
9892  def __repr__(self):
9893  """__repr__(DopePairScore self) -> std::string"""
9894  return _IMP_atom.DopePairScore___repr__(self)
9895 
9896  def get_from(o):
9897  return _object_cast_to_DopePairScore(o)
9898  get_from = staticmethod(get_from)
9899 
9900  __swig_destroy__ = _IMP_atom.delete_DopePairScore
9901  __del__ = lambda self : None;
9902 DopePairScore_swigregister = _IMP_atom.DopePairScore_swigregister
9903 DopePairScore_swigregister(DopePairScore)
9904 
9905 
9906 def add_dope_score_data(*args):
9907  """add_dope_score_data(Hierarchy h)"""
9908  return _IMP_atom.add_dope_score_data(*args)
9909 class OrientedSoapPairScore(_OrientedSoapBase):
9910  """Proxy of C++ IMP::atom::OrientedSoapPairScore class"""
9911  __swig_setmethods__ = {}
9912  for _s in [_OrientedSoapBase]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
9913  __setattr__ = lambda self, name, value: _swig_setattr(self, OrientedSoapPairScore, name, value)
9914  __swig_getmethods__ = {}
9915  for _s in [_OrientedSoapBase]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
9916  __getattr__ = lambda self, name: _swig_getattr(self, OrientedSoapPairScore, name)
9917  def __init__(self, *args):
9918  """__init__(IMP::atom::OrientedSoapPairScore self, std::string library) -> OrientedSoapPairScore"""
9919  this = _IMP_atom.new_OrientedSoapPairScore(*args)
9920  try: self.this.append(this)
9921  except: self.this = this
9922  def get_pair_filter(self):
9923  """get_pair_filter(OrientedSoapPairScore self) -> SoapPairFilter"""
9924  return _IMP_atom.OrientedSoapPairScore_get_pair_filter(self)
9925 
9926  def __str__(self):
9927  """__str__(OrientedSoapPairScore self) -> std::string"""
9928  return _IMP_atom.OrientedSoapPairScore___str__(self)
9929 
9930  def __repr__(self):
9931  """__repr__(OrientedSoapPairScore self) -> std::string"""
9932  return _IMP_atom.OrientedSoapPairScore___repr__(self)
9933 
9934  def get_from(o):
9935  return _object_cast_to_OrientedSoapPairScore(o)
9936  get_from = staticmethod(get_from)
9937 
9938  __swig_destroy__ = _IMP_atom.delete_OrientedSoapPairScore
9939  __del__ = lambda self : None;
9940 OrientedSoapPairScore_swigregister = _IMP_atom.OrientedSoapPairScore_swigregister
9941 OrientedSoapPairScore_swigregister(OrientedSoapPairScore)
9942 
9943 class SameResiduePairFilter(IMP.kernel.PairPredicate):
9944  """Proxy of C++ IMP::atom::SameResiduePairFilter class"""
9945  __swig_setmethods__ = {}
9946  for _s in [IMP.kernel.PairPredicate]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
9947  __setattr__ = lambda self, name, value: _swig_setattr(self, SameResiduePairFilter, name, value)
9948  __swig_getmethods__ = {}
9949  for _s in [IMP.kernel.PairPredicate]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
9950  __getattr__ = lambda self, name: _swig_getattr(self, SameResiduePairFilter, name)
9951  def __init__(self):
9952  """__init__(IMP::atom::SameResiduePairFilter self) -> SameResiduePairFilter"""
9953  this = _IMP_atom.new_SameResiduePairFilter()
9954  try: self.this.append(this)
9955  except: self.this = this
9956  def do_get_inputs(self, *args):
9957  """do_get_inputs(SameResiduePairFilter self, Model m, IMP::kernel::ParticleIndexes const & pis) -> IMP::kernel::ModelObjectsTemp"""
9958  return _IMP_atom.SameResiduePairFilter_do_get_inputs(self, *args)
9959 
9960  def get_value(self, *args):
9961  """
9962  get_value(SameResiduePairFilter self, IMP::kernel::ParticlePair const & a) -> int
9963  get_value(SameResiduePairFilter self, IMP::kernel::ParticlePairsTemp const & o) -> IMP::Ints
9964  """
9965  return _IMP_atom.SameResiduePairFilter_get_value(self, *args)
9966 
9967  def get_value_index(self, *args):
9968  """
9969  get_value_index(SameResiduePairFilter self, Model m, IMP::kernel::ParticleIndexPair const & p) -> int
9970  get_value_index(SameResiduePairFilter self, Model m, IMP::kernel::ParticleIndexPairs const & o) -> IMP::Ints
9971  """
9972  return _IMP_atom.SameResiduePairFilter_get_value_index(self, *args)
9973 
9974  def get_version_info(self):
9975  """get_version_info(SameResiduePairFilter self) -> VersionInfo"""
9976  return _IMP_atom.SameResiduePairFilter_get_version_info(self)
9977 
9978  def __str__(self):
9979  """__str__(SameResiduePairFilter self) -> std::string"""
9980  return _IMP_atom.SameResiduePairFilter___str__(self)
9981 
9982  def __repr__(self):
9983  """__repr__(SameResiduePairFilter self) -> std::string"""
9984  return _IMP_atom.SameResiduePairFilter___repr__(self)
9985 
9986  def get_from(o):
9987  return _object_cast_to_SameResiduePairFilter(o)
9988  get_from = staticmethod(get_from)
9989 
9990 SameResiduePairFilter_swigregister = _IMP_atom.SameResiduePairFilter_swigregister
9991 SameResiduePairFilter_swigregister(SameResiduePairFilter)
9992 
9993 class RemoveRigidMotionOptimizerState(IMP.kernel.OptimizerState):
9994  """Proxy of C++ IMP::atom::RemoveRigidMotionOptimizerState class"""
9995  __swig_setmethods__ = {}
9996  for _s in [IMP.kernel.OptimizerState]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
9997  __setattr__ = lambda self, name, value: _swig_setattr(self, RemoveRigidMotionOptimizerState, name, value)
9998  __swig_getmethods__ = {}
9999  for _s in [IMP.kernel.OptimizerState]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
10000  __getattr__ = lambda self, name: _swig_getattr(self, RemoveRigidMotionOptimizerState, name)
10001  def __init__(self, *args):
10002  """__init__(IMP::atom::RemoveRigidMotionOptimizerState self, Model m, _ParticleIndexesAdaptor pis) -> RemoveRigidMotionOptimizerState"""
10003  this = _IMP_atom.new_RemoveRigidMotionOptimizerState(*args)
10004  try: self.this.append(this)
10005  except: self.this = this
10006  def set_particles(self, *args):
10007  """set_particles(RemoveRigidMotionOptimizerState self, IMP::kernel::Particles const & pis)"""
10008  return _IMP_atom.RemoveRigidMotionOptimizerState_set_particles(self, *args)
10009 
10010  def remove_rigid_motion(self):
10011  """remove_rigid_motion(RemoveRigidMotionOptimizerState self)"""
10012  return _IMP_atom.RemoveRigidMotionOptimizerState_remove_rigid_motion(self)
10013 
10014  def get_version_info(self):
10015  """get_version_info(RemoveRigidMotionOptimizerState self) -> VersionInfo"""
10016  return _IMP_atom.RemoveRigidMotionOptimizerState_get_version_info(self)
10017 
10018  def __str__(self):
10019  """__str__(RemoveRigidMotionOptimizerState self) -> std::string"""
10020  return _IMP_atom.RemoveRigidMotionOptimizerState___str__(self)
10021 
10022  def __repr__(self):
10023  """__repr__(RemoveRigidMotionOptimizerState self) -> std::string"""
10024  return _IMP_atom.RemoveRigidMotionOptimizerState___repr__(self)
10025 
10026  def get_from(o):
10027  return _object_cast_to_RemoveRigidMotionOptimizerState(o)
10028  get_from = staticmethod(get_from)
10029 
10030 RemoveRigidMotionOptimizerState_swigregister = _IMP_atom.RemoveRigidMotionOptimizerState_swigregister
10031 RemoveRigidMotionOptimizerState_swigregister(RemoveRigidMotionOptimizerState)
10032 
10033 class BerendsenThermostatOptimizerState(IMP.kernel.OptimizerState):
10034  """Proxy of C++ IMP::atom::BerendsenThermostatOptimizerState class"""
10035  __swig_setmethods__ = {}
10036  for _s in [IMP.kernel.OptimizerState]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
10037  __setattr__ = lambda self, name, value: _swig_setattr(self, BerendsenThermostatOptimizerState, name, value)
10038  __swig_getmethods__ = {}
10039  for _s in [IMP.kernel.OptimizerState]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
10040  __getattr__ = lambda self, name: _swig_getattr(self, BerendsenThermostatOptimizerState, name)
10041  def __init__(self, *args):
10042  """__init__(IMP::atom::BerendsenThermostatOptimizerState self, IMP::kernel::Particles const & pis, double temperature, double tau) -> BerendsenThermostatOptimizerState"""
10043  this = _IMP_atom.new_BerendsenThermostatOptimizerState(*args)
10044  try: self.this.append(this)
10045  except: self.this = this
10046  def set_particles(self, *args):
10047  """set_particles(BerendsenThermostatOptimizerState self, IMP::kernel::Particles const & pis)"""
10048  return _IMP_atom.BerendsenThermostatOptimizerState_set_particles(self, *args)
10049 
10050  def get_temperature(self):
10051  """get_temperature(BerendsenThermostatOptimizerState self) -> double"""
10052  return _IMP_atom.BerendsenThermostatOptimizerState_get_temperature(self)
10053 
10054  def get_tau(self):
10055  """get_tau(BerendsenThermostatOptimizerState self) -> double"""
10056  return _IMP_atom.BerendsenThermostatOptimizerState_get_tau(self)
10057 
10058  def set_temperature(self, *args):
10059  """set_temperature(BerendsenThermostatOptimizerState self, double temperature)"""
10060  return _IMP_atom.BerendsenThermostatOptimizerState_set_temperature(self, *args)
10061 
10062  def set_tau(self, *args):
10063  """set_tau(BerendsenThermostatOptimizerState self, double tau)"""
10064  return _IMP_atom.BerendsenThermostatOptimizerState_set_tau(self, *args)
10065 
10066  def rescale_velocities(self):
10067  """rescale_velocities(BerendsenThermostatOptimizerState self)"""
10068  return _IMP_atom.BerendsenThermostatOptimizerState_rescale_velocities(self)
10069 
10070  def get_version_info(self):
10071  """get_version_info(BerendsenThermostatOptimizerState self) -> VersionInfo"""
10072  return _IMP_atom.BerendsenThermostatOptimizerState_get_version_info(self)
10073 
10074  def __str__(self):
10075  """__str__(BerendsenThermostatOptimizerState self) -> std::string"""
10076  return _IMP_atom.BerendsenThermostatOptimizerState___str__(self)
10077 
10078  def __repr__(self):
10079  """__repr__(BerendsenThermostatOptimizerState self) -> std::string"""
10080  return _IMP_atom.BerendsenThermostatOptimizerState___repr__(self)
10081 
10082  def get_from(o):
10083  return _object_cast_to_BerendsenThermostatOptimizerState(o)
10084  get_from = staticmethod(get_from)
10085 
10086 BerendsenThermostatOptimizerState_swigregister = _IMP_atom.BerendsenThermostatOptimizerState_swigregister
10087 BerendsenThermostatOptimizerState_swigregister(BerendsenThermostatOptimizerState)
10088 
10089 class LangevinThermostatOptimizerState(IMP.kernel.OptimizerState):
10090  """Proxy of C++ IMP::atom::LangevinThermostatOptimizerState class"""
10091  __swig_setmethods__ = {}
10092  for _s in [IMP.kernel.OptimizerState]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
10093  __setattr__ = lambda self, name, value: _swig_setattr(self, LangevinThermostatOptimizerState, name, value)
10094  __swig_getmethods__ = {}
10095  for _s in [IMP.kernel.OptimizerState]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
10096  __getattr__ = lambda self, name: _swig_getattr(self, LangevinThermostatOptimizerState, name)
10097  def __init__(self, *args):
10098  """__init__(IMP::atom::LangevinThermostatOptimizerState self, Model m, _ParticleIndexesAdaptor pis, double temperature, double gamma) -> LangevinThermostatOptimizerState"""
10099  this = _IMP_atom.new_LangevinThermostatOptimizerState(*args)
10100  try: self.this.append(this)
10101  except: self.this = this
10102  def set_particles(self, *args):
10103  """set_particles(LangevinThermostatOptimizerState self, IMP::kernel::Particles const & pis)"""
10104  return _IMP_atom.LangevinThermostatOptimizerState_set_particles(self, *args)
10105 
10106  def get_temperature(self):
10107  """get_temperature(LangevinThermostatOptimizerState self) -> double"""
10108  return _IMP_atom.LangevinThermostatOptimizerState_get_temperature(self)
10109 
10110  def get_gamma(self):
10111  """get_gamma(LangevinThermostatOptimizerState self) -> double"""
10112  return _IMP_atom.LangevinThermostatOptimizerState_get_gamma(self)
10113 
10114  def set_temperature(self, *args):
10115  """set_temperature(LangevinThermostatOptimizerState self, double temperature)"""
10116  return _IMP_atom.LangevinThermostatOptimizerState_set_temperature(self, *args)
10117 
10118  def set_gamma(self, *args):
10119  """set_gamma(LangevinThermostatOptimizerState self, double gamma)"""
10120  return _IMP_atom.LangevinThermostatOptimizerState_set_gamma(self, *args)
10121 
10122  def rescale_velocities(self):
10123  """rescale_velocities(LangevinThermostatOptimizerState self)"""
10124  return _IMP_atom.LangevinThermostatOptimizerState_rescale_velocities(self)
10125 
10126  def get_version_info(self):
10127  """get_version_info(LangevinThermostatOptimizerState self) -> VersionInfo"""
10128  return _IMP_atom.LangevinThermostatOptimizerState_get_version_info(self)
10129 
10130  def __str__(self):
10131  """__str__(LangevinThermostatOptimizerState self) -> std::string"""
10132  return _IMP_atom.LangevinThermostatOptimizerState___str__(self)
10133 
10134  def __repr__(self):
10135  """__repr__(LangevinThermostatOptimizerState self) -> std::string"""
10136  return _IMP_atom.LangevinThermostatOptimizerState___repr__(self)
10137 
10138  def get_from(o):
10139  return _object_cast_to_LangevinThermostatOptimizerState(o)
10140  get_from = staticmethod(get_from)
10141 
10142 LangevinThermostatOptimizerState_swigregister = _IMP_atom.LangevinThermostatOptimizerState_swigregister
10143 LangevinThermostatOptimizerState_swigregister(LangevinThermostatOptimizerState)
10144 
10145 class PDBSelector(IMP.base.Object):
10146  """Proxy of C++ IMP::atom::PDBSelector class"""
10147  __swig_setmethods__ = {}
10148  for _s in [IMP.base.Object]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
10149  __setattr__ = lambda self, name, value: _swig_setattr(self, PDBSelector, name, value)
10150  __swig_getmethods__ = {}
10151  for _s in [IMP.base.Object]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
10152  __getattr__ = lambda self, name: _swig_getattr(self, PDBSelector, name)
10153  def __init__(self, *args):
10154  """__init__(IMP::atom::PDBSelector self, std::string name) -> PDBSelector"""
10155  if self.__class__ == PDBSelector:
10156  _self = None
10157  else:
10158  _self = self
10159  this = _IMP_atom.new_PDBSelector(_self, *args)
10160  try: self.this.append(this)
10161  except: self.this = this
10162  if self.__class__ != PDBSelector:
10163  import IMP.base
10164  IMP.base._director_objects.register(self)
10165 
10166 
10167 
10168  def get_is_selected(self, *args):
10169  """get_is_selected(PDBSelector self, std::string const & pdb_line) -> bool"""
10170  return _IMP_atom.PDBSelector_get_is_selected(self, *args)
10171 
10172  __swig_destroy__ = _IMP_atom.delete_PDBSelector
10173  __del__ = lambda self : None;
10174  def __str__(self):
10175  """__str__(PDBSelector self) -> std::string"""
10176  return _IMP_atom.PDBSelector___str__(self)
10177 
10178  def __repr__(self):
10179  """__repr__(PDBSelector self) -> std::string"""
10180  return _IMP_atom.PDBSelector___repr__(self)
10181 
10182  def get_from(o):
10183  return _object_cast_to_PDBSelector(o)
10184  get_from = staticmethod(get_from)
10185 
10186  def get_type_name(self):
10187  return self.__class__.__name__
10188  def do_show(self, out):
10189  pass
10190  def get_version_info(self):
10191  if"IMP::atom" == "IMP":
10192  return VersionInfo("python", "0")
10193  else:
10194  return IMP.VersionInfo("python", "0")
10195  def get_from(o):
10196  return _object_cast_to_PDBSelector(o)
10197  get_from = staticmethod(get_from)
10198 
10199  def __disown__(self):
10200  self.this.disown()
10201  _IMP_atom.disown_PDBSelector(self)
10202  return weakref_proxy(self)
10203  def do_destroy(self):
10204  """do_destroy(PDBSelector self)"""
10205  return _IMP_atom.PDBSelector_do_destroy(self)
10206 
10207 PDBSelector_swigregister = _IMP_atom.PDBSelector_swigregister
10208 PDBSelector_swigregister(PDBSelector)
10209 
10210 class NonAlternativePDBSelector(PDBSelector):
10211  """Proxy of C++ IMP::atom::NonAlternativePDBSelector class"""
10212  __swig_setmethods__ = {}
10213  for _s in [PDBSelector]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
10214  __setattr__ = lambda self, name, value: _swig_setattr(self, NonAlternativePDBSelector, name, value)
10215  __swig_getmethods__ = {}
10216  for _s in [PDBSelector]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
10217  __getattr__ = lambda self, name: _swig_getattr(self, NonAlternativePDBSelector, name)
10218  def __init__(self, name="NonAlternativePDBSelector%1%"):
10219  """
10220  __init__(IMP::atom::NonAlternativePDBSelector self, std::string name="NonAlternativePDBSelector%1%") -> NonAlternativePDBSelector
10221  __init__(IMP::atom::NonAlternativePDBSelector self) -> NonAlternativePDBSelector
10222  """
10223  this = _IMP_atom.new_NonAlternativePDBSelector(name)
10224  try: self.this.append(this)
10225  except: self.this = this
10226  def get_version_info(self):
10227  """get_version_info(NonAlternativePDBSelector self) -> VersionInfo"""
10228  return _IMP_atom.NonAlternativePDBSelector_get_version_info(self)
10229 
10230  def __str__(self):
10231  """__str__(NonAlternativePDBSelector self) -> std::string"""
10232  return _IMP_atom.NonAlternativePDBSelector___str__(self)
10233 
10234  def __repr__(self):
10235  """__repr__(NonAlternativePDBSelector self) -> std::string"""
10236  return _IMP_atom.NonAlternativePDBSelector___repr__(self)
10237 
10238  def get_from(o):
10239  return _object_cast_to_NonAlternativePDBSelector(o)
10240  get_from = staticmethod(get_from)
10241 
10242 NonAlternativePDBSelector_swigregister = _IMP_atom.NonAlternativePDBSelector_swigregister
10243 NonAlternativePDBSelector_swigregister(NonAlternativePDBSelector)
10244 
10245 class ATOMPDBSelector(NonAlternativePDBSelector):
10246  """Proxy of C++ IMP::atom::ATOMPDBSelector class"""
10247  __swig_setmethods__ = {}
10248  for _s in [NonAlternativePDBSelector]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
10249  __setattr__ = lambda self, name, value: _swig_setattr(self, ATOMPDBSelector, name, value)
10250  __swig_getmethods__ = {}
10251  for _s in [NonAlternativePDBSelector]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
10252  __getattr__ = lambda self, name: _swig_getattr(self, ATOMPDBSelector, name)
10253  def __init__(self, name="ATOMPDBSelector%1%"):
10254  """
10255  __init__(IMP::atom::ATOMPDBSelector self, std::string name="ATOMPDBSelector%1%") -> ATOMPDBSelector
10256  __init__(IMP::atom::ATOMPDBSelector self) -> ATOMPDBSelector
10257  """
10258  this = _IMP_atom.new_ATOMPDBSelector(name)
10259  try: self.this.append(this)
10260  except: self.this = this
10261  def __str__(self):
10262  """__str__(ATOMPDBSelector self) -> std::string"""
10263  return _IMP_atom.ATOMPDBSelector___str__(self)
10264 
10265  def __repr__(self):
10266  """__repr__(ATOMPDBSelector self) -> std::string"""
10267  return _IMP_atom.ATOMPDBSelector___repr__(self)
10268 
10269  def get_from(o):
10270  return _object_cast_to_ATOMPDBSelector(o)
10271  get_from = staticmethod(get_from)
10272 
10273 ATOMPDBSelector_swigregister = _IMP_atom.ATOMPDBSelector_swigregister
10274 ATOMPDBSelector_swigregister(ATOMPDBSelector)
10275 
10276 class CAlphaPDBSelector(NonAlternativePDBSelector):
10277  """Proxy of C++ IMP::atom::CAlphaPDBSelector class"""
10278  __swig_setmethods__ = {}
10279  for _s in [NonAlternativePDBSelector]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
10280  __setattr__ = lambda self, name, value: _swig_setattr(self, CAlphaPDBSelector, name, value)
10281  __swig_getmethods__ = {}
10282  for _s in [NonAlternativePDBSelector]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
10283  __getattr__ = lambda self, name: _swig_getattr(self, CAlphaPDBSelector, name)
10284  def __init__(self, name="CAlphaPDBSelector%1%"):
10285  """
10286  __init__(IMP::atom::CAlphaPDBSelector self, std::string name="CAlphaPDBSelector%1%") -> CAlphaPDBSelector
10287  __init__(IMP::atom::CAlphaPDBSelector self) -> CAlphaPDBSelector
10288  """
10289  this = _IMP_atom.new_CAlphaPDBSelector(name)
10290  try: self.this.append(this)
10291  except: self.this = this
10292  def __str__(self):
10293  """__str__(CAlphaPDBSelector self) -> std::string"""
10294  return _IMP_atom.CAlphaPDBSelector___str__(self)
10295 
10296  def __repr__(self):
10297  """__repr__(CAlphaPDBSelector self) -> std::string"""
10298  return _IMP_atom.CAlphaPDBSelector___repr__(self)
10299 
10300  def get_from(o):
10301  return _object_cast_to_CAlphaPDBSelector(o)
10302  get_from = staticmethod(get_from)
10303 
10304 CAlphaPDBSelector_swigregister = _IMP_atom.CAlphaPDBSelector_swigregister
10305 CAlphaPDBSelector_swigregister(CAlphaPDBSelector)
10306 
10307 class CBetaPDBSelector(NonAlternativePDBSelector):
10308  """Proxy of C++ IMP::atom::CBetaPDBSelector class"""
10309  __swig_setmethods__ = {}
10310  for _s in [NonAlternativePDBSelector]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
10311  __setattr__ = lambda self, name, value: _swig_setattr(self, CBetaPDBSelector, name, value)
10312  __swig_getmethods__ = {}
10313  for _s in [NonAlternativePDBSelector]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
10314  __getattr__ = lambda self, name: _swig_getattr(self, CBetaPDBSelector, name)
10315  def __init__(self, name="CBetaPDBSelector%1%"):
10316  """
10317  __init__(IMP::atom::CBetaPDBSelector self, std::string name="CBetaPDBSelector%1%") -> CBetaPDBSelector
10318  __init__(IMP::atom::CBetaPDBSelector self) -> CBetaPDBSelector
10319  """
10320  this = _IMP_atom.new_CBetaPDBSelector(name)
10321  try: self.this.append(this)
10322  except: self.this = this
10323  def __str__(self):
10324  """__str__(CBetaPDBSelector self) -> std::string"""
10325  return _IMP_atom.CBetaPDBSelector___str__(self)
10326 
10327  def __repr__(self):
10328  """__repr__(CBetaPDBSelector self) -> std::string"""
10329  return _IMP_atom.CBetaPDBSelector___repr__(self)
10330 
10331  def get_from(o):
10332  return _object_cast_to_CBetaPDBSelector(o)
10333  get_from = staticmethod(get_from)
10334 
10335 CBetaPDBSelector_swigregister = _IMP_atom.CBetaPDBSelector_swigregister
10336 CBetaPDBSelector_swigregister(CBetaPDBSelector)
10337 
10338 class CPDBSelector(NonAlternativePDBSelector):
10339  """Proxy of C++ IMP::atom::CPDBSelector class"""
10340  __swig_setmethods__ = {}
10341  for _s in [NonAlternativePDBSelector]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
10342  __setattr__ = lambda self, name, value: _swig_setattr(self, CPDBSelector, name, value)
10343  __swig_getmethods__ = {}
10344  for _s in [NonAlternativePDBSelector]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
10345  __getattr__ = lambda self, name: _swig_getattr(self, CPDBSelector, name)
10346  def __init__(self, name="CPDBSelector%1%"):
10347  """
10348  __init__(IMP::atom::CPDBSelector self, std::string name="CPDBSelector%1%") -> CPDBSelector
10349  __init__(IMP::atom::CPDBSelector self) -> CPDBSelector
10350  """
10351  this = _IMP_atom.new_CPDBSelector(name)
10352  try: self.this.append(this)
10353  except: self.this = this
10354  def __str__(self):
10355  """__str__(CPDBSelector self) -> std::string"""
10356  return _IMP_atom.CPDBSelector___str__(self)
10357 
10358  def __repr__(self):
10359  """__repr__(CPDBSelector self) -> std::string"""
10360  return _IMP_atom.CPDBSelector___repr__(self)
10361 
10362  def get_from(o):
10363  return _object_cast_to_CPDBSelector(o)
10364  get_from = staticmethod(get_from)
10365 
10366 CPDBSelector_swigregister = _IMP_atom.CPDBSelector_swigregister
10367 CPDBSelector_swigregister(CPDBSelector)
10368 
10369 class NPDBSelector(NonAlternativePDBSelector):
10370  """Proxy of C++ IMP::atom::NPDBSelector class"""
10371  __swig_setmethods__ = {}
10372  for _s in [NonAlternativePDBSelector]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
10373  __setattr__ = lambda self, name, value: _swig_setattr(self, NPDBSelector, name, value)
10374  __swig_getmethods__ = {}
10375  for _s in [NonAlternativePDBSelector]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
10376  __getattr__ = lambda self, name: _swig_getattr(self, NPDBSelector, name)
10377  def __init__(self, name="NPDBSelector%1%"):
10378  """
10379  __init__(IMP::atom::NPDBSelector self, std::string name="NPDBSelector%1%") -> NPDBSelector
10380  __init__(IMP::atom::NPDBSelector self) -> NPDBSelector
10381  """
10382  this = _IMP_atom.new_NPDBSelector(name)
10383  try: self.this.append(this)
10384  except: self.this = this
10385  def __str__(self):
10386  """__str__(NPDBSelector self) -> std::string"""
10387  return _IMP_atom.NPDBSelector___str__(self)
10388 
10389  def __repr__(self):
10390  """__repr__(NPDBSelector self) -> std::string"""
10391  return _IMP_atom.NPDBSelector___repr__(self)
10392 
10393  def get_from(o):
10394  return _object_cast_to_NPDBSelector(o)
10395  get_from = staticmethod(get_from)
10396 
10397 NPDBSelector_swigregister = _IMP_atom.NPDBSelector_swigregister
10398 NPDBSelector_swigregister(NPDBSelector)
10399 
10400 class AllPDBSelector(PDBSelector):
10401  """Proxy of C++ IMP::atom::AllPDBSelector class"""
10402  __swig_setmethods__ = {}
10403  for _s in [PDBSelector]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
10404  __setattr__ = lambda self, name, value: _swig_setattr(self, AllPDBSelector, name, value)
10405  __swig_getmethods__ = {}
10406  for _s in [PDBSelector]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
10407  __getattr__ = lambda self, name: _swig_getattr(self, AllPDBSelector, name)
10408  def __init__(self, name="AllPDBSelector%1%"):
10409  """
10410  __init__(IMP::atom::AllPDBSelector self, std::string name="AllPDBSelector%1%") -> AllPDBSelector
10411  __init__(IMP::atom::AllPDBSelector self) -> AllPDBSelector
10412  """
10413  this = _IMP_atom.new_AllPDBSelector(name)
10414  try: self.this.append(this)
10415  except: self.this = this
10416  def get_version_info(self):
10417  """get_version_info(AllPDBSelector self) -> VersionInfo"""
10418  return _IMP_atom.AllPDBSelector_get_version_info(self)
10419 
10420  def __str__(self):
10421  """__str__(AllPDBSelector self) -> std::string"""
10422  return _IMP_atom.AllPDBSelector___str__(self)
10423 
10424  def __repr__(self):
10425  """__repr__(AllPDBSelector self) -> std::string"""
10426  return _IMP_atom.AllPDBSelector___repr__(self)
10427 
10428  def get_from(o):
10429  return _object_cast_to_AllPDBSelector(o)
10430  get_from = staticmethod(get_from)
10431 
10432 AllPDBSelector_swigregister = _IMP_atom.AllPDBSelector_swigregister
10433 AllPDBSelector_swigregister(AllPDBSelector)
10434 
10435 class ChainPDBSelector(NonAlternativePDBSelector):
10436  """Proxy of C++ IMP::atom::ChainPDBSelector class"""
10437  __swig_setmethods__ = {}
10438  for _s in [NonAlternativePDBSelector]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
10439  __setattr__ = lambda self, name, value: _swig_setattr(self, ChainPDBSelector, name, value)
10440  __swig_getmethods__ = {}
10441  for _s in [NonAlternativePDBSelector]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
10442  __getattr__ = lambda self, name: _swig_getattr(self, ChainPDBSelector, name)
10443  def __init__(self, *args):
10444  """
10445  __init__(IMP::atom::ChainPDBSelector self, std::string const & chains, std::string name="ChainPDBSelector%1%") -> ChainPDBSelector
10446  __init__(IMP::atom::ChainPDBSelector self, std::string const & chains) -> ChainPDBSelector
10447  """
10448  this = _IMP_atom.new_ChainPDBSelector(*args)
10449  try: self.this.append(this)
10450  except: self.this = this
10451  def __str__(self):
10452  """__str__(ChainPDBSelector self) -> std::string"""
10453  return _IMP_atom.ChainPDBSelector___str__(self)
10454 
10455  def __repr__(self):
10456  """__repr__(ChainPDBSelector self) -> std::string"""
10457  return _IMP_atom.ChainPDBSelector___repr__(self)
10458 
10459  def get_from(o):
10460  return _object_cast_to_ChainPDBSelector(o)
10461  get_from = staticmethod(get_from)
10462 
10463 ChainPDBSelector_swigregister = _IMP_atom.ChainPDBSelector_swigregister
10464 ChainPDBSelector_swigregister(ChainPDBSelector)
10465 
10466 class WaterPDBSelector(NonAlternativePDBSelector):
10467  """Proxy of C++ IMP::atom::WaterPDBSelector class"""
10468  __swig_setmethods__ = {}
10469  for _s in [NonAlternativePDBSelector]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
10470  __setattr__ = lambda self, name, value: _swig_setattr(self, WaterPDBSelector, name, value)
10471  __swig_getmethods__ = {}
10472  for _s in [NonAlternativePDBSelector]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
10473  __getattr__ = lambda self, name: _swig_getattr(self, WaterPDBSelector, name)
10474  def __init__(self, name="WaterPDBSelector%1%"):
10475  """
10476  __init__(IMP::atom::WaterPDBSelector self, std::string name="WaterPDBSelector%1%") -> WaterPDBSelector
10477  __init__(IMP::atom::WaterPDBSelector self) -> WaterPDBSelector
10478  """
10479  this = _IMP_atom.new_WaterPDBSelector(name)
10480  try: self.this.append(this)
10481  except: self.this = this
10482  def __str__(self):
10483  """__str__(WaterPDBSelector self) -> std::string"""
10484  return _IMP_atom.WaterPDBSelector___str__(self)
10485 
10486  def __repr__(self):
10487  """__repr__(WaterPDBSelector self) -> std::string"""
10488  return _IMP_atom.WaterPDBSelector___repr__(self)
10489 
10490  def get_from(o):
10491  return _object_cast_to_WaterPDBSelector(o)
10492  get_from = staticmethod(get_from)
10493 
10494 WaterPDBSelector_swigregister = _IMP_atom.WaterPDBSelector_swigregister
10495 WaterPDBSelector_swigregister(WaterPDBSelector)
10496 
10497 class HydrogenPDBSelector(NonAlternativePDBSelector):
10498  """Proxy of C++ IMP::atom::HydrogenPDBSelector class"""
10499  __swig_setmethods__ = {}
10500  for _s in [NonAlternativePDBSelector]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
10501  __setattr__ = lambda self, name, value: _swig_setattr(self, HydrogenPDBSelector, name, value)
10502  __swig_getmethods__ = {}
10503  for _s in [NonAlternativePDBSelector]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
10504  __getattr__ = lambda self, name: _swig_getattr(self, HydrogenPDBSelector, name)
10505  def __init__(self, name="HydrogenPDBSelector%1%"):
10506  """
10507  __init__(IMP::atom::HydrogenPDBSelector self, std::string name="HydrogenPDBSelector%1%") -> HydrogenPDBSelector
10508  __init__(IMP::atom::HydrogenPDBSelector self) -> HydrogenPDBSelector
10509  """
10510  this = _IMP_atom.new_HydrogenPDBSelector(name)
10511  try: self.this.append(this)
10512  except: self.this = this
10513  def __str__(self):
10514  """__str__(HydrogenPDBSelector self) -> std::string"""
10515  return _IMP_atom.HydrogenPDBSelector___str__(self)
10516 
10517  def __repr__(self):
10518  """__repr__(HydrogenPDBSelector self) -> std::string"""
10519  return _IMP_atom.HydrogenPDBSelector___repr__(self)
10520 
10521  def get_from(o):
10522  return _object_cast_to_HydrogenPDBSelector(o)
10523  get_from = staticmethod(get_from)
10524 
10525 HydrogenPDBSelector_swigregister = _IMP_atom.HydrogenPDBSelector_swigregister
10526 HydrogenPDBSelector_swigregister(HydrogenPDBSelector)
10527 
10528 class NonWaterNonHydrogenPDBSelector(NonAlternativePDBSelector):
10529  """Proxy of C++ IMP::atom::NonWaterNonHydrogenPDBSelector class"""
10530  __swig_setmethods__ = {}
10531  for _s in [NonAlternativePDBSelector]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
10532  __setattr__ = lambda self, name, value: _swig_setattr(self, NonWaterNonHydrogenPDBSelector, name, value)
10533  __swig_getmethods__ = {}
10534  for _s in [NonAlternativePDBSelector]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
10535  __getattr__ = lambda self, name: _swig_getattr(self, NonWaterNonHydrogenPDBSelector, name)
10536  def __init__(self, *args):
10537  """
10538  __init__(IMP::atom::NonWaterNonHydrogenPDBSelector self, std::string name) -> NonWaterNonHydrogenPDBSelector
10539  __init__(IMP::atom::NonWaterNonHydrogenPDBSelector self) -> NonWaterNonHydrogenPDBSelector
10540  """
10541  this = _IMP_atom.new_NonWaterNonHydrogenPDBSelector(*args)
10542  try: self.this.append(this)
10543  except: self.this = this
10544  def __str__(self):
10545  """__str__(NonWaterNonHydrogenPDBSelector self) -> std::string"""
10546  return _IMP_atom.NonWaterNonHydrogenPDBSelector___str__(self)
10547 
10548  def __repr__(self):
10549  """__repr__(NonWaterNonHydrogenPDBSelector self) -> std::string"""
10550  return _IMP_atom.NonWaterNonHydrogenPDBSelector___repr__(self)
10551 
10552  def get_from(o):
10553  return _object_cast_to_NonWaterNonHydrogenPDBSelector(o)
10554  get_from = staticmethod(get_from)
10555 
10556 NonWaterNonHydrogenPDBSelector_swigregister = _IMP_atom.NonWaterNonHydrogenPDBSelector_swigregister
10557 NonWaterNonHydrogenPDBSelector_swigregister(NonWaterNonHydrogenPDBSelector)
10558 
10559 class NonWaterPDBSelector(NonAlternativePDBSelector):
10560  """Proxy of C++ IMP::atom::NonWaterPDBSelector class"""
10561  __swig_setmethods__ = {}
10562  for _s in [NonAlternativePDBSelector]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
10563  __setattr__ = lambda self, name, value: _swig_setattr(self, NonWaterPDBSelector, name, value)
10564  __swig_getmethods__ = {}
10565  for _s in [NonAlternativePDBSelector]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
10566  __getattr__ = lambda self, name: _swig_getattr(self, NonWaterPDBSelector, name)
10567  def __init__(self, *args):
10568  """
10569  __init__(IMP::atom::NonWaterPDBSelector self, std::string name) -> NonWaterPDBSelector
10570  __init__(IMP::atom::NonWaterPDBSelector self) -> NonWaterPDBSelector
10571  """
10572  this = _IMP_atom.new_NonWaterPDBSelector(*args)
10573  try: self.this.append(this)
10574  except: self.this = this
10575  def __str__(self):
10576  """__str__(NonWaterPDBSelector self) -> std::string"""
10577  return _IMP_atom.NonWaterPDBSelector___str__(self)
10578 
10579  def __repr__(self):
10580  """__repr__(NonWaterPDBSelector self) -> std::string"""
10581  return _IMP_atom.NonWaterPDBSelector___repr__(self)
10582 
10583  def get_from(o):
10584  return _object_cast_to_NonWaterPDBSelector(o)
10585  get_from = staticmethod(get_from)
10586 
10587 NonWaterPDBSelector_swigregister = _IMP_atom.NonWaterPDBSelector_swigregister
10588 NonWaterPDBSelector_swigregister(NonWaterPDBSelector)
10589 
10590 class BackbonePDBSelector(NonWaterNonHydrogenPDBSelector):
10591  """Proxy of C++ IMP::atom::BackbonePDBSelector class"""
10592  __swig_setmethods__ = {}
10593  for _s in [NonWaterNonHydrogenPDBSelector]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
10594  __setattr__ = lambda self, name, value: _swig_setattr(self, BackbonePDBSelector, name, value)
10595  __swig_getmethods__ = {}
10596  for _s in [NonWaterNonHydrogenPDBSelector]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
10597  __getattr__ = lambda self, name: _swig_getattr(self, BackbonePDBSelector, name)
10598  def __init__(self, name="BackbonePDBSelector%1%"):
10599  """
10600  __init__(IMP::atom::BackbonePDBSelector self, std::string name="BackbonePDBSelector%1%") -> BackbonePDBSelector
10601  __init__(IMP::atom::BackbonePDBSelector self) -> BackbonePDBSelector
10602  """
10603  this = _IMP_atom.new_BackbonePDBSelector(name)
10604  try: self.this.append(this)
10605  except: self.this = this
10606  def __str__(self):
10607  """__str__(BackbonePDBSelector self) -> std::string"""
10608  return _IMP_atom.BackbonePDBSelector___str__(self)
10609 
10610  def __repr__(self):
10611  """__repr__(BackbonePDBSelector self) -> std::string"""
10612  return _IMP_atom.BackbonePDBSelector___repr__(self)
10613 
10614  def get_from(o):
10615  return _object_cast_to_BackbonePDBSelector(o)
10616  get_from = staticmethod(get_from)
10617 
10618 BackbonePDBSelector_swigregister = _IMP_atom.BackbonePDBSelector_swigregister
10619 BackbonePDBSelector_swigregister(BackbonePDBSelector)
10620 
10621 class PPDBSelector(NonAlternativePDBSelector):
10622  """Proxy of C++ IMP::atom::PPDBSelector class"""
10623  __swig_setmethods__ = {}
10624  for _s in [NonAlternativePDBSelector]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
10625  __setattr__ = lambda self, name, value: _swig_setattr(self, PPDBSelector, name, value)
10626  __swig_getmethods__ = {}
10627  for _s in [NonAlternativePDBSelector]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
10628  __getattr__ = lambda self, name: _swig_getattr(self, PPDBSelector, name)
10629  def __init__(self, name="PPDBSelector%1%"):
10630  """
10631  __init__(IMP::atom::PPDBSelector self, std::string name="PPDBSelector%1%") -> PPDBSelector
10632  __init__(IMP::atom::PPDBSelector self) -> PPDBSelector
10633  """
10634  this = _IMP_atom.new_PPDBSelector(name)
10635  try: self.this.append(this)
10636  except: self.this = this
10637  def __str__(self):
10638  """__str__(PPDBSelector self) -> std::string"""
10639  return _IMP_atom.PPDBSelector___str__(self)
10640 
10641  def __repr__(self):
10642  """__repr__(PPDBSelector self) -> std::string"""
10643  return _IMP_atom.PPDBSelector___repr__(self)
10644 
10645  def get_from(o):
10646  return _object_cast_to_PPDBSelector(o)
10647  get_from = staticmethod(get_from)
10648 
10649 PPDBSelector_swigregister = _IMP_atom.PPDBSelector_swigregister
10650 PPDBSelector_swigregister(PPDBSelector)
10651 
10652 class AndPDBSelector(PDBSelector):
10653  """Proxy of C++ IMP::atom::AndPDBSelector class"""
10654  __swig_setmethods__ = {}
10655  for _s in [PDBSelector]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
10656  __setattr__ = lambda self, name, value: _swig_setattr(self, AndPDBSelector, name, value)
10657  __swig_getmethods__ = {}
10658  for _s in [PDBSelector]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
10659  __getattr__ = lambda self, name: _swig_getattr(self, AndPDBSelector, name)
10660  def get_version_info(self):
10661  """get_version_info(AndPDBSelector self) -> VersionInfo"""
10662  return _IMP_atom.AndPDBSelector_get_version_info(self)
10663 
10664  def __init__(self, *args):
10665  """__init__(IMP::atom::AndPDBSelector self, PDBSelector a, PDBSelector b) -> AndPDBSelector"""
10666  this = _IMP_atom.new_AndPDBSelector(*args)
10667  try: self.this.append(this)
10668  except: self.this = this
10669  def __str__(self):
10670  """__str__(AndPDBSelector self) -> std::string"""
10671  return _IMP_atom.AndPDBSelector___str__(self)
10672 
10673  def __repr__(self):
10674  """__repr__(AndPDBSelector self) -> std::string"""
10675  return _IMP_atom.AndPDBSelector___repr__(self)
10676 
10677  def get_from(o):
10678  return _object_cast_to_AndPDBSelector(o)
10679  get_from = staticmethod(get_from)
10680 
10681 AndPDBSelector_swigregister = _IMP_atom.AndPDBSelector_swigregister
10682 AndPDBSelector_swigregister(AndPDBSelector)
10683 
10684 class OrPDBSelector(PDBSelector):
10685  """Proxy of C++ IMP::atom::OrPDBSelector class"""
10686  __swig_setmethods__ = {}
10687  for _s in [PDBSelector]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
10688  __setattr__ = lambda self, name, value: _swig_setattr(self, OrPDBSelector, name, value)
10689  __swig_getmethods__ = {}
10690  for _s in [PDBSelector]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
10691  __getattr__ = lambda self, name: _swig_getattr(self, OrPDBSelector, name)
10692  def get_version_info(self):
10693  """get_version_info(OrPDBSelector self) -> VersionInfo"""
10694  return _IMP_atom.OrPDBSelector_get_version_info(self)
10695 
10696  def __init__(self, *args):
10697  """__init__(IMP::atom::OrPDBSelector self, PDBSelector a, PDBSelector b) -> OrPDBSelector"""
10698  this = _IMP_atom.new_OrPDBSelector(*args)
10699  try: self.this.append(this)
10700  except: self.this = this
10701  def __str__(self):
10702  """__str__(OrPDBSelector self) -> std::string"""
10703  return _IMP_atom.OrPDBSelector___str__(self)
10704 
10705  def __repr__(self):
10706  """__repr__(OrPDBSelector self) -> std::string"""
10707  return _IMP_atom.OrPDBSelector___repr__(self)
10708 
10709  def get_from(o):
10710  return _object_cast_to_OrPDBSelector(o)
10711  get_from = staticmethod(get_from)
10712 
10713 OrPDBSelector_swigregister = _IMP_atom.OrPDBSelector_swigregister
10714 OrPDBSelector_swigregister(OrPDBSelector)
10715 
10716 class NotPDBSelector(PDBSelector):
10717  """Proxy of C++ IMP::atom::NotPDBSelector class"""
10718  __swig_setmethods__ = {}
10719  for _s in [PDBSelector]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
10720  __setattr__ = lambda self, name, value: _swig_setattr(self, NotPDBSelector, name, value)
10721  __swig_getmethods__ = {}
10722  for _s in [PDBSelector]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
10723  __getattr__ = lambda self, name: _swig_getattr(self, NotPDBSelector, name)
10724  def get_version_info(self):
10725  """get_version_info(NotPDBSelector self) -> VersionInfo"""
10726  return _IMP_atom.NotPDBSelector_get_version_info(self)
10727 
10728  def __init__(self, *args):
10729  """__init__(IMP::atom::NotPDBSelector self, PDBSelector a) -> NotPDBSelector"""
10730  this = _IMP_atom.new_NotPDBSelector(*args)
10731  try: self.this.append(this)
10732  except: self.this = this
10733  def __str__(self):
10734  """__str__(NotPDBSelector self) -> std::string"""
10735  return _IMP_atom.NotPDBSelector___str__(self)
10736 
10737  def __repr__(self):
10738  """__repr__(NotPDBSelector self) -> std::string"""
10739  return _IMP_atom.NotPDBSelector___repr__(self)
10740 
10741  def get_from(o):
10742  return _object_cast_to_NotPDBSelector(o)
10743  get_from = staticmethod(get_from)
10744 
10745 NotPDBSelector_swigregister = _IMP_atom.NotPDBSelector_swigregister
10746 NotPDBSelector_swigregister(NotPDBSelector)
10747 
10748 
10749 def get_default_pdb_selector():
10750  """get_default_pdb_selector() -> PDBSelector"""
10751  return _IMP_atom.get_default_pdb_selector()
10752 
10753 def read_pdb(*args):
10754  """
10755  read_pdb(TextInput input, Model model, PDBSelector selector=IMP::atom::get_default_pdb_selector(),
10756  bool select_first_model=True, bool no_radii=False) -> Hierarchy
10757  read_pdb(TextInput input, Model model, PDBSelector selector=IMP::atom::get_default_pdb_selector(),
10758  bool select_first_model=True) -> Hierarchy
10759  read_pdb(TextInput input, Model model, PDBSelector selector=IMP::atom::get_default_pdb_selector()) -> Hierarchy
10760  read_pdb(TextInput input, Model model) -> Hierarchy
10761  read_pdb(TextInput input, int model, Hierarchy h)
10762  """
10763  return _IMP_atom.read_pdb(*args)
10764 
10765 def read_multimodel_pdb(*args):
10766  """
10767  read_multimodel_pdb(TextInput input, Model model, PDBSelector selector=IMP::atom::get_default_pdb_selector(),
10768  bool noradii=False) -> IMP::atom::Hierarchies
10769  read_multimodel_pdb(TextInput input, Model model, PDBSelector selector=IMP::atom::get_default_pdb_selector()) -> IMP::atom::Hierarchies
10770  read_multimodel_pdb(TextInput input, Model model) -> IMP::atom::Hierarchies
10771  """
10772  return _IMP_atom.read_multimodel_pdb(*args)
10773 
10774 def write_pdb(*args):
10775  """
10776  write_pdb(Selection mhd, TextOutput out, unsigned int model=1)
10777  write_pdb(Selection mhd, TextOutput out)
10778  """
10779  return _IMP_atom.write_pdb(*args)
10780 
10781 def write_pdb_of_c_alphas(*args):
10782  """
10783  write_pdb_of_c_alphas(Selection mhd, TextOutput out, unsigned int model=1)
10784  write_pdb_of_c_alphas(Selection mhd, TextOutput out)
10785  """
10786  return _IMP_atom.write_pdb_of_c_alphas(*args)
10787 
10788 def write_multimodel_pdb(*args):
10789  """write_multimodel_pdb(IMP::atom::Hierarchies const & mhd, TextOutput out)"""
10790  return _IMP_atom.write_multimodel_pdb(*args)
10791 
10792 def get_pdb_string(*args):
10793  """
10794  get_pdb_string(Vector3D v, int index=-1, AtomType at=AT_CA, ResidueType rt=ALA, char chain=' ',
10795  int res_index=1, char res_icode=' ', double occpancy=1.00, double tempFactor=0.00,
10796  IMP::atom::Element e=C) -> std::string
10797  get_pdb_string(Vector3D v, int index=-1, AtomType at=AT_CA, ResidueType rt=ALA, char chain=' ',
10798  int res_index=1, char res_icode=' ', double occpancy=1.00, double tempFactor=0.00) -> std::string
10799  get_pdb_string(Vector3D v, int index=-1, AtomType at=AT_CA, ResidueType rt=ALA, char chain=' ',
10800  int res_index=1, char res_icode=' ', double occpancy=1.00) -> std::string
10801  get_pdb_string(Vector3D v, int index=-1, AtomType at=AT_CA, ResidueType rt=ALA, char chain=' ',
10802  int res_index=1, char res_icode=' ') -> std::string
10803  get_pdb_string(Vector3D v, int index=-1, AtomType at=AT_CA, ResidueType rt=ALA, char chain=' ',
10804  int res_index=1) -> std::string
10805  get_pdb_string(Vector3D v, int index=-1, AtomType at=AT_CA, ResidueType rt=ALA, char chain=' ') -> std::string
10806  get_pdb_string(Vector3D v, int index=-1, AtomType at=AT_CA, ResidueType rt=ALA) -> std::string
10807  get_pdb_string(Vector3D v, int index=-1, AtomType at=AT_CA) -> std::string
10808  get_pdb_string(Vector3D v, int index=-1) -> std::string
10809  get_pdb_string(Vector3D v) -> std::string
10810  """
10811  return _IMP_atom.get_pdb_string(*args)
10812 
10813 def get_pdb_conect_record_string(*args):
10814  """get_pdb_conect_record_string(int arg1, int arg2) -> std::string"""
10815  return _IMP_atom.get_pdb_conect_record_string(*args)
10816 class WritePDBOptimizerState(IMP.kernel.OptimizerState):
10817  """Proxy of C++ IMP::atom::WritePDBOptimizerState class"""
10818  __swig_setmethods__ = {}
10819  for _s in [IMP.kernel.OptimizerState]: __swig_setmethods__.update(getattr(_s,'__swig_setmethods__',{}))
10820  __setattr__ = lambda self, name, value: _swig_setattr(self, WritePDBOptimizerState, name, value)
10821  __swig_getmethods__ = {}
10822  for _s in [IMP.kernel.OptimizerState]: __swig_getmethods__.update(getattr(_s,'__swig_getmethods__',{}))
10823  __getattr__ = lambda self, name: _swig_getattr(self, WritePDBOptimizerState, name)
10824  def __init__(self, *args):
10825  """
10826  __init__(IMP::atom::WritePDBOptimizerState self, Model m, _ParticleIndexesAdaptor pis, std::string filename) -> WritePDBOptimizerState
10827  __init__(IMP::atom::WritePDBOptimizerState self, IMP::atom::Hierarchies const mh, std::string filename) -> WritePDBOptimizerState
10828  """
10829  this = _IMP_atom.new_WritePDBOptimizerState(*args)
10830  try: self.this.append(this)
10831  except: self.this = this
10832  def get_version_info(self):
10833  """get_version_info(WritePDBOptimizerState self) -> VersionInfo"""
10834  return _IMP_atom.WritePDBOptimizerState_get_version_info(self)
10835 
10836  def __str__(self):
10837  """__str__(WritePDBOptimizerState self) -> std::string"""
10838  return _IMP_atom.WritePDBOptimizerState___str__(self)
10839 
10840  def __repr__(self):
10841  """__repr__(WritePDBOptimizerState self) -> std::string"""
10842  return _IMP_atom.WritePDBOptimizerState___repr__(self)
10843 
10844  def get_from(o):
10845  return _object_cast_to_WritePDBOptimizerState(o)
10846  get_from = staticmethod(get_from)
10847 
10848 WritePDBOptimizerState_swigregister = _IMP_atom.WritePDBOptimizerState_swigregister
10849 WritePDBOptimizerState_swigregister(WritePDBOptimizerState)
10850 
10851 
10852 def get_kt(*args):
10853  """get_kt(double T) -> double"""
10854  return _IMP_atom.get_kt(*args)
10855 
10856 def show_molecular_hierarchy(*args):
10857  """
10858  show_molecular_hierarchy(Hierarchy h, _ostream out=std::cout) -> _ostream
10859  show_molecular_hierarchy(Hierarchy h) -> _ostream
10860  """
10861  return _IMP_atom.show_molecular_hierarchy(*args)
10862 class CHARMMBond(_object):
10863  """Proxy of C++ IMP::atom::CHARMMConnection<(2)> class"""
10864  __swig_setmethods__ = {}
10865  __setattr__ = lambda self, name, value: _swig_setattr(self, CHARMMBond, name, value)
10866  __swig_getmethods__ = {}
10867  __getattr__ = lambda self, name: _swig_getattr(self, CHARMMBond, name)
10868  __repr__ = _swig_repr
10869  def __init__(self, *args):
10870  """__init__(IMP::atom::CHARMMConnection<(2)> self, IMP::Strings const & atoms) -> CHARMMBond"""
10871  this = _IMP_atom.new_CHARMMBond(*args)
10872  try: self.this.append(this)
10873  except: self.this = this
10874  def get_endpoint(self, *args):
10875  """get_endpoint(CHARMMBond self, unsigned int i) -> CHARMMBondEndpoint"""
10876  return _IMP_atom.CHARMMBond_get_endpoint(self, *args)
10877 
10878  def get_contains_atom(self, *args):
10879  """get_contains_atom(CHARMMBond self, std::string name) -> bool"""
10880  return _IMP_atom.CHARMMBond_get_contains_atom(self, *args)
10881 
10882  def show(self, *args):
10883  """
10884  show(CHARMMBond self, _ostream out=std::cout)
10885  show(CHARMMBond self)
10886  """
10887  return _IMP_atom.CHARMMBond_show(self, *args)
10888 
10889  __swig_destroy__ = _IMP_atom.delete_CHARMMBond
10890  __del__ = lambda self : None;
10891 CHARMMBond_swigregister = _IMP_atom.CHARMMBond_swigregister
10892 CHARMMBond_swigregister(CHARMMBond)
10893 
10894 class CHARMMAngle(_object):
10895  """Proxy of C++ IMP::atom::CHARMMConnection<(3)> class"""
10896  __swig_setmethods__ = {}
10897  __setattr__ = lambda self, name, value: _swig_setattr(self, CHARMMAngle, name, value)
10898  __swig_getmethods__ = {}
10899  __getattr__ = lambda self, name: _swig_getattr(self, CHARMMAngle, name)
10900  __repr__ = _swig_repr
10901  def __init__(self, *args):
10902  """__init__(IMP::atom::CHARMMConnection<(3)> self, IMP::Strings const & atoms) -> CHARMMAngle"""
10903  this = _IMP_atom.new_CHARMMAngle(*args)
10904  try: self.this.append(this)
10905  except: self.this = this
10906  def get_endpoint(self, *args):
10907  """get_endpoint(CHARMMAngle self, unsigned int i) -> CHARMMBondEndpoint"""
10908  return _IMP_atom.CHARMMAngle_get_endpoint(self, *args)
10909 
10910  def get_contains_atom(self, *args):
10911  """get_contains_atom(CHARMMAngle self, std::string name) -> bool"""
10912  return _IMP_atom.CHARMMAngle_get_contains_atom(self, *args)
10913 
10914  def show(self, *args):
10915  """
10916  show(CHARMMAngle self, _ostream out=std::cout)
10917  show(CHARMMAngle self)
10918  """
10919  return _IMP_atom.CHARMMAngle_show(self, *args)
10920 
10921  __swig_destroy__ = _IMP_atom.delete_CHARMMAngle
10922  __del__ = lambda self : None;
10923 CHARMMAngle_swigregister = _IMP_atom.CHARMMAngle_swigregister
10924 CHARMMAngle_swigregister(CHARMMAngle)
10925 
10926 
10927 def _get_native_overlap_cpp(*args):
10928  """
10929  _get_native_overlap_cpp(IMP::base::Vector< IMP::algebra::VectorD< 3 > > const & m1, IMP::base::Vector< IMP::algebra::VectorD< 3 > > const & m2,
10930  double threshold) -> double
10931  """
10932  return _IMP_atom._get_native_overlap_cpp(*args)
10933 
10934 def _get_drmsd_cpp(*args):
10935  """_get_drmsd_cpp(IMP::base::Vector< IMP::algebra::VectorD< 3 > > const & m0, IMP::base::Vector< IMP::algebra::VectorD< 3 > > const & m1) -> double"""
10936  return _IMP_atom._get_drmsd_cpp(*args)
10937 
10938 def _get_drmsd_Q_cpp(*args):
10939  """
10940  _get_drmsd_Q_cpp(IMP::base::Vector< IMP::algebra::VectorD< 3 > > const & m0, IMP::base::Vector< IMP::algebra::VectorD< 3 > > const & m1,
10941  double threshold) -> double
10942  """
10943  return _IMP_atom._get_drmsd_Q_cpp(*args)
10944 
10945 def _get_drms_cpp(*args):
10946  """_get_drms_cpp(IMP::base::Vector< IMP::algebra::VectorD< 3 > > const & m1, IMP::base::Vector< IMP::algebra::VectorD< 3 > > const & m2) -> double"""
10947  return _IMP_atom._get_drms_cpp(*args)
10948 
10949 def _get_rigid_bodies_drms_cpp(*args):
10950  """
10951  _get_rigid_bodies_drms_cpp(IMP::base::Vector< IMP::algebra::VectorD< 3 > > const & m1, IMP::base::Vector< IMP::algebra::VectorD< 3 > > const & m2,
10952  IMP::IntRanges const & ranges) -> double
10953  """
10954  return _IMP_atom._get_rigid_bodies_drms_cpp(*args)
10955 def get_native_overlap(a, b, d):
10956  va= [IMP.algebra.get_vector(x) for x in a]
10957  vb= [IMP.algebra.get_vector(x) for x in b]
10958  return _get_native_overlap_cpp(va, vb, d)
10959 
10960 def get_drmsd(a, b):
10961  va= [IMP.algebra.get_vector(x) for x in a]
10962  vb= [IMP.algebra.get_vector(x) for x in b]
10963  return _get_drmsd_cpp(va, vb)
10964 
10965 def get_drms(a, b):
10966  va= [IMP.algebra.get_vector(x) for x in a]
10967  vb= [IMP.algebra.get_vector(x) for x in b]
10968  return _get_drms_cpp(va, vb)
10969 
10970 def get_drmsd_Q(a, b, t):
10971  va= [IMP.algebra.get_vector(x) for x in a]
10972  vb= [IMP.algebra.get_vector(x) for x in b]
10973  return _get_drmsd_Q_cpp(va, vb, t)
10974 
10975 def get_rigid_bodies_drms(a, b, ranges):
10976  va= [IMP.algebra.get_vector(x) for x in a]
10977  vb= [IMP.algebra.get_vector(x) for x in b]
10978  #rs = [IMP.IntRange(r[0],r[1]) for r in ranges]
10979  return _get_rigid_bodies_drms_cpp(va, vb, ranges)
10980 
10981 
10982 
10983 def get_module_version():
10984  """get_module_version() -> std::string const"""
10985  return _IMP_atom.get_module_version()
10986 
10987 def get_example_path(*args):
10988  """get_example_path(std::string fname) -> std::string"""
10989  return _IMP_atom.get_example_path(*args)
10990 
10991 def get_data_path(*args):
10992  """get_data_path(std::string fname) -> std::string"""
10993  return _IMP_atom.get_data_path(*args)
10994 import _version_check
10995 _version_check.check_version(get_module_version())
10996 
10997 # This file is compatible with both classic and new-style classes.
10998 
10999 
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
double get_volume(const Cone3D &g)
Definition: Cone3D.h:64
Bonds get_internal_bonds(Hierarchy mhd)
Get the bonds internal to this tree.
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.
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)
BoundingBoxD< 3 > get_bounding_box(const Cone3D &g)
Definition: Cone3D.h:64
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_surface_area(const Cone3D &g)
Definition: Cone3D.h:64
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.
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 8 bounding points for the bounding box.
Definition: BoundingBoxD.h:256
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_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)
Output IMP model data in various file formats.
CheckLevel get_check_level()
Get the current audit mode.
Definition: exception.h:81
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