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IMP Reference Guide  2.15.0
The Integrative Modeling Platform
atom/__init__.py
1 # This file was automatically generated by SWIG (http://www.swig.org).
2 # Version 3.0.7
3 #
4 # Do not make changes to this file unless you know what you are doing--modify
5 # the SWIG interface file instead.
6 
7 # This wrapper is part of IMP,
8 # Copyright 2007-2021 IMP Inventors. All rights reserved.
9 
10 from __future__ import print_function, division, absolute_import
11 
12 
13 
14 
15 from sys import version_info
16 if version_info >= (2, 6, 0):
17  def swig_import_helper():
18  from os.path import dirname
19  import imp
20  fp = None
21  try:
22  fp, pathname, description = imp.find_module('_IMP_atom', [dirname(__file__)])
23  except ImportError:
24  import _IMP_atom
25  return _IMP_atom
26  if fp is not None:
27  try:
28  _mod = imp.load_module('_IMP_atom', fp, pathname, description)
29  finally:
30  fp.close()
31  return _mod
32  _IMP_atom = swig_import_helper()
33  del swig_import_helper
34 else:
35  import _IMP_atom
36 del version_info
37 try:
38  _swig_property = property
39 except NameError:
40  pass # Python < 2.2 doesn't have 'property'.
41 
42 
43 def _swig_setattr_nondynamic(self, class_type, name, value, static=1):
44  if (name == "thisown"):
45  return self.this.own(value)
46  if (name == "this"):
47  if type(value).__name__ == 'SwigPyObject':
48  self.__dict__[name] = value
49  return
50  method = class_type.__swig_setmethods__.get(name, None)
51  if method:
52  return method(self, value)
53  if (not static):
54  object.__setattr__(self, name, value)
55  else:
56  raise AttributeError("You cannot add attributes to %s" % self)
57 
58 
59 def _swig_setattr(self, class_type, name, value):
60  return _swig_setattr_nondynamic(self, class_type, name, value, 0)
61 
62 
63 def _swig_getattr_nondynamic(self, class_type, name, static=1):
64  if (name == "thisown"):
65  return self.this.own()
66  method = class_type.__swig_getmethods__.get(name, None)
67  if method:
68  return method(self)
69  if (not static):
70  return object.__getattr__(self, name)
71  else:
72  raise AttributeError(name)
73 
74 def _swig_getattr(self, class_type, name):
75  return _swig_getattr_nondynamic(self, class_type, name, 0)
76 
77 
78 def _swig_repr(self):
79  try:
80  strthis = "proxy of " + self.this.__repr__()
81  except:
82  strthis = ""
83  return "<%s.%s; %s >" % (self.__class__.__module__, self.__class__.__name__, strthis,)
84 
85 try:
86  _object = object
87  _newclass = 1
88 except AttributeError:
89  class _object:
90  pass
91  _newclass = 0
92 
93 
94 
95 def _swig_setattr_nondynamic_method(set):
96  def set_attr(self, name, value):
97  if (name == "thisown"):
98  return self.this.own(value)
99  if hasattr(self, name) or (name == "this"):
100  set(self, name, value)
101  else:
102  raise AttributeError("You cannot add attributes to %s" % self)
103  return set_attr
104 
105 
106 try:
107  import weakref
108  weakref_proxy = weakref.proxy
109 except:
110  weakref_proxy = lambda x: x
111 
112 
113 class IMP_ATOM_SwigPyIterator(object):
114  """Proxy of C++ swig::IMP_ATOM_SwigPyIterator class"""
115  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
116 
117  def __init__(self, *args, **kwargs):
118  raise AttributeError("No constructor defined - class is abstract")
119  __repr__ = _swig_repr
120  __swig_destroy__ = _IMP_atom.delete_IMP_ATOM_SwigPyIterator
121  __del__ = lambda self: None
122 
123  def value(self):
124  """value(IMP_ATOM_SwigPyIterator self) -> PyObject *"""
125  return _IMP_atom.IMP_ATOM_SwigPyIterator_value(self)
126 
127 
128  def incr(self, n=1):
129  """
130  incr(IMP_ATOM_SwigPyIterator self, size_t n=1) -> IMP_ATOM_SwigPyIterator
131  incr(IMP_ATOM_SwigPyIterator self) -> IMP_ATOM_SwigPyIterator
132  """
133  return _IMP_atom.IMP_ATOM_SwigPyIterator_incr(self, n)
134 
135 
136  def decr(self, n=1):
137  """
138  decr(IMP_ATOM_SwigPyIterator self, size_t n=1) -> IMP_ATOM_SwigPyIterator
139  decr(IMP_ATOM_SwigPyIterator self) -> IMP_ATOM_SwigPyIterator
140  """
141  return _IMP_atom.IMP_ATOM_SwigPyIterator_decr(self, n)
142 
143 
144  def distance(self, x):
145  """distance(IMP_ATOM_SwigPyIterator self, IMP_ATOM_SwigPyIterator x) -> ptrdiff_t"""
146  return _IMP_atom.IMP_ATOM_SwigPyIterator_distance(self, x)
147 
148 
149  def equal(self, x):
150  """equal(IMP_ATOM_SwigPyIterator self, IMP_ATOM_SwigPyIterator x) -> bool"""
151  return _IMP_atom.IMP_ATOM_SwigPyIterator_equal(self, x)
152 
153 
154  def copy(self):
155  """copy(IMP_ATOM_SwigPyIterator self) -> IMP_ATOM_SwigPyIterator"""
156  return _IMP_atom.IMP_ATOM_SwigPyIterator_copy(self)
157 
158 
159  def next(self):
160  """next(IMP_ATOM_SwigPyIterator self) -> PyObject *"""
161  return _IMP_atom.IMP_ATOM_SwigPyIterator_next(self)
162 
163 
164  def __next__(self):
165  """__next__(IMP_ATOM_SwigPyIterator self) -> PyObject *"""
166  return _IMP_atom.IMP_ATOM_SwigPyIterator___next__(self)
167 
168 
169  def previous(self):
170  """previous(IMP_ATOM_SwigPyIterator self) -> PyObject *"""
171  return _IMP_atom.IMP_ATOM_SwigPyIterator_previous(self)
172 
173 
174  def advance(self, n):
175  """advance(IMP_ATOM_SwigPyIterator self, ptrdiff_t n) -> IMP_ATOM_SwigPyIterator"""
176  return _IMP_atom.IMP_ATOM_SwigPyIterator_advance(self, n)
177 
178 
179  def __eq__(self, x):
180  """__eq__(IMP_ATOM_SwigPyIterator self, IMP_ATOM_SwigPyIterator x) -> bool"""
181  return _IMP_atom.IMP_ATOM_SwigPyIterator___eq__(self, x)
182 
183 
184  def __ne__(self, x):
185  """__ne__(IMP_ATOM_SwigPyIterator self, IMP_ATOM_SwigPyIterator x) -> bool"""
186  return _IMP_atom.IMP_ATOM_SwigPyIterator___ne__(self, x)
187 
188 
189  def __iadd__(self, n):
190  """__iadd__(IMP_ATOM_SwigPyIterator self, ptrdiff_t n) -> IMP_ATOM_SwigPyIterator"""
191  return _IMP_atom.IMP_ATOM_SwigPyIterator___iadd__(self, n)
192 
193 
194  def __isub__(self, n):
195  """__isub__(IMP_ATOM_SwigPyIterator self, ptrdiff_t n) -> IMP_ATOM_SwigPyIterator"""
196  return _IMP_atom.IMP_ATOM_SwigPyIterator___isub__(self, n)
197 
198 
199  def __add__(self, n):
200  """__add__(IMP_ATOM_SwigPyIterator self, ptrdiff_t n) -> IMP_ATOM_SwigPyIterator"""
201  return _IMP_atom.IMP_ATOM_SwigPyIterator___add__(self, n)
202 
203 
204  def __sub__(self, *args):
205  """
206  __sub__(IMP_ATOM_SwigPyIterator self, ptrdiff_t n) -> IMP_ATOM_SwigPyIterator
207  __sub__(IMP_ATOM_SwigPyIterator self, IMP_ATOM_SwigPyIterator x) -> ptrdiff_t
208  """
209  return _IMP_atom.IMP_ATOM_SwigPyIterator___sub__(self, *args)
210 
211  def __iter__(self):
212  return self
213 IMP_ATOM_SwigPyIterator_swigregister = _IMP_atom.IMP_ATOM_SwigPyIterator_swigregister
214 IMP_ATOM_SwigPyIterator_swigregister(IMP_ATOM_SwigPyIterator)
215 
216 
217 _value_types=[]
218 _object_types=[]
219 _raii_types=[]
220 _plural_types=[]
221 
222 
223 _IMP_atom.IMP_DEBUG_swigconstant(_IMP_atom)
224 IMP_DEBUG = _IMP_atom.IMP_DEBUG
225 
226 _IMP_atom.IMP_RELEASE_swigconstant(_IMP_atom)
227 IMP_RELEASE = _IMP_atom.IMP_RELEASE
228 
229 _IMP_atom.IMP_SILENT_swigconstant(_IMP_atom)
230 IMP_SILENT = _IMP_atom.IMP_SILENT
231 
232 _IMP_atom.IMP_PROGRESS_swigconstant(_IMP_atom)
233 IMP_PROGRESS = _IMP_atom.IMP_PROGRESS
234 
235 _IMP_atom.IMP_TERSE_swigconstant(_IMP_atom)
236 IMP_TERSE = _IMP_atom.IMP_TERSE
237 
238 _IMP_atom.IMP_VERBOSE_swigconstant(_IMP_atom)
239 IMP_VERBOSE = _IMP_atom.IMP_VERBOSE
240 
241 _IMP_atom.IMP_MEMORY_swigconstant(_IMP_atom)
242 IMP_MEMORY = _IMP_atom.IMP_MEMORY
243 
244 _IMP_atom.IMP_NONE_swigconstant(_IMP_atom)
245 IMP_NONE = _IMP_atom.IMP_NONE
246 
247 _IMP_atom.IMP_USAGE_swigconstant(_IMP_atom)
248 IMP_USAGE = _IMP_atom.IMP_USAGE
249 
250 _IMP_atom.IMP_INTERNAL_swigconstant(_IMP_atom)
251 IMP_INTERNAL = _IMP_atom.IMP_INTERNAL
252 
253 _IMP_atom.IMP_KERNEL_HAS_LOG4CXX_swigconstant(_IMP_atom)
254 IMP_KERNEL_HAS_LOG4CXX = _IMP_atom.IMP_KERNEL_HAS_LOG4CXX
255 
256 _IMP_atom.IMP_COMPILER_HAS_AUTO_swigconstant(_IMP_atom)
257 IMP_COMPILER_HAS_AUTO = _IMP_atom.IMP_COMPILER_HAS_AUTO
258 
259 _IMP_atom.IMP_COMPILER_HAS_DEBUG_VECTOR_swigconstant(_IMP_atom)
260 IMP_COMPILER_HAS_DEBUG_VECTOR = _IMP_atom.IMP_COMPILER_HAS_DEBUG_VECTOR
261 
262 _IMP_atom.IMP_COMPILER_HAS_UNIQUE_PTR_swigconstant(_IMP_atom)
263 IMP_COMPILER_HAS_UNIQUE_PTR = _IMP_atom.IMP_COMPILER_HAS_UNIQUE_PTR
264 
265 _IMP_atom.IMP_KERNEL_HAS_BOOST_RANDOM_swigconstant(_IMP_atom)
266 IMP_KERNEL_HAS_BOOST_RANDOM = _IMP_atom.IMP_KERNEL_HAS_BOOST_RANDOM
267 
268 _IMP_atom.IMP_KERNEL_HAS_NUMPY_swigconstant(_IMP_atom)
269 IMP_KERNEL_HAS_NUMPY = _IMP_atom.IMP_KERNEL_HAS_NUMPY
270 
271 _IMP_atom.IMP_KERNEL_HAS_GPERFTOOLS_swigconstant(_IMP_atom)
272 IMP_KERNEL_HAS_GPERFTOOLS = _IMP_atom.IMP_KERNEL_HAS_GPERFTOOLS
273 
274 _IMP_atom.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER_swigconstant(_IMP_atom)
275 IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER = _IMP_atom.IMP_KERNEL_HAS_TCMALLOC_HEAPCHECKER
276 
277 _IMP_atom.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER_swigconstant(_IMP_atom)
278 IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER = _IMP_atom.IMP_KERNEL_HAS_TCMALLOC_HEAPPROFILER
279 
280 _IMP_atom.IMPKERNEL_SHOW_WARNINGS_swigconstant(_IMP_atom)
281 IMPKERNEL_SHOW_WARNINGS = _IMP_atom.IMPKERNEL_SHOW_WARNINGS
282 
283 import sys
284 class _DirectorObjects(object):
285  """@internal Simple class to keep references to director objects
286  to prevent premature deletion."""
287  def __init__(self):
288  self._objects = []
289  def register(self, obj):
290  """Take a reference to a director object; will only work for
291  refcounted C++ classes"""
292  if hasattr(obj, 'get_ref_count'):
293  self._objects.append(obj)
294  def cleanup(self):
295  """Only drop our reference and allow cleanup by Python if no other
296  Python references exist (we hold 3 references: one in self._objects,
297  one in x, and one in the argument list for getrefcount) *and* no
298  other C++ references exist (the Python object always holds one)"""
299  objs = [x for x in self._objects if sys.getrefcount(x) > 3 \
300  or x.get_ref_count() > 1]
301 # Do in two steps so the references are kept until the end of the
302 # function (deleting references may trigger a fresh call to this method)
303  self._objects = objs
304  def get_object_count(self):
305  """Get number of director objects (useful for testing only)"""
306  return len(self._objects)
307 _director_objects = _DirectorObjects()
308 
309 class _ostream(object):
310  """Proxy of C++ std::ostream class"""
311  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
312 
313  def __init__(self, *args, **kwargs):
314  raise AttributeError("No constructor defined")
315  __repr__ = _swig_repr
316 
317  def write(self, osa_buf):
318  """write(_ostream self, char const * osa_buf)"""
319  return _IMP_atom._ostream_write(self, osa_buf)
320 
321 _ostream_swigregister = _IMP_atom._ostream_swigregister
322 _ostream_swigregister(_ostream)
323 
324 
325 _IMP_atom.IMP_COMPILER_HAS_OVERRIDE_swigconstant(_IMP_atom)
326 IMP_COMPILER_HAS_OVERRIDE = _IMP_atom.IMP_COMPILER_HAS_OVERRIDE
327 
328 _IMP_atom.IMP_COMPILER_HAS_FINAL_swigconstant(_IMP_atom)
329 IMP_COMPILER_HAS_FINAL = _IMP_atom.IMP_COMPILER_HAS_FINAL
330 
331 _IMP_atom.IMP_HAS_NOEXCEPT_swigconstant(_IMP_atom)
332 IMP_HAS_NOEXCEPT = _IMP_atom.IMP_HAS_NOEXCEPT
333 
334 _IMP_atom.IMP_C_OPEN_BINARY_swigconstant(_IMP_atom)
335 IMP_C_OPEN_BINARY = _IMP_atom.IMP_C_OPEN_BINARY
336 import IMP
337 
338 _IMP_atom.IMP_CGAL_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_atom)
339 IMP_CGAL_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_CGAL_HAS_BOOST_FILESYSTEM
340 
341 _IMP_atom.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_atom)
342 IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_CGAL_HAS_BOOST_PROGRAMOPTIONS
343 
344 _IMP_atom.IMP_CGAL_HAS_BOOST_RANDOM_swigconstant(_IMP_atom)
345 IMP_CGAL_HAS_BOOST_RANDOM = _IMP_atom.IMP_CGAL_HAS_BOOST_RANDOM
346 
347 _IMP_atom.IMP_CGAL_HAS_BOOST_SYSTEM_swigconstant(_IMP_atom)
348 IMP_CGAL_HAS_BOOST_SYSTEM = _IMP_atom.IMP_CGAL_HAS_BOOST_SYSTEM
349 
350 _IMP_atom.IMP_CGAL_HAS_NUMPY_swigconstant(_IMP_atom)
351 IMP_CGAL_HAS_NUMPY = _IMP_atom.IMP_CGAL_HAS_NUMPY
352 
353 _IMP_atom.IMPCGAL_SHOW_WARNINGS_swigconstant(_IMP_atom)
354 IMPCGAL_SHOW_WARNINGS = _IMP_atom.IMPCGAL_SHOW_WARNINGS
355 import IMP.cgal
356 
357 _IMP_atom.IMP_ALGEBRA_HAS_IMP_CGAL_swigconstant(_IMP_atom)
358 IMP_ALGEBRA_HAS_IMP_CGAL = _IMP_atom.IMP_ALGEBRA_HAS_IMP_CGAL
359 
360 _IMP_atom.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_atom)
361 IMP_ALGEBRA_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_ALGEBRA_HAS_BOOST_FILESYSTEM
362 
363 _IMP_atom.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_atom)
364 IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_ALGEBRA_HAS_BOOST_PROGRAMOPTIONS
365 
366 _IMP_atom.IMP_ALGEBRA_HAS_BOOST_RANDOM_swigconstant(_IMP_atom)
367 IMP_ALGEBRA_HAS_BOOST_RANDOM = _IMP_atom.IMP_ALGEBRA_HAS_BOOST_RANDOM
368 
369 _IMP_atom.IMP_ALGEBRA_HAS_BOOST_SYSTEM_swigconstant(_IMP_atom)
370 IMP_ALGEBRA_HAS_BOOST_SYSTEM = _IMP_atom.IMP_ALGEBRA_HAS_BOOST_SYSTEM
371 
372 _IMP_atom.IMP_ALGEBRA_HAS_CGAL_swigconstant(_IMP_atom)
373 IMP_ALGEBRA_HAS_CGAL = _IMP_atom.IMP_ALGEBRA_HAS_CGAL
374 
375 _IMP_atom.IMP_ALGEBRA_HAS_NUMPY_swigconstant(_IMP_atom)
376 IMP_ALGEBRA_HAS_NUMPY = _IMP_atom.IMP_ALGEBRA_HAS_NUMPY
377 
378 _IMP_atom.IMP_ALGEBRA_HAS_ANN_swigconstant(_IMP_atom)
379 IMP_ALGEBRA_HAS_ANN = _IMP_atom.IMP_ALGEBRA_HAS_ANN
380 
381 _IMP_atom.IMPALGEBRA_SHOW_WARNINGS_swigconstant(_IMP_atom)
382 IMPALGEBRA_SHOW_WARNINGS = _IMP_atom.IMPALGEBRA_SHOW_WARNINGS
383 import IMP.algebra
384 
385 _IMP_atom.IMP_DISPLAY_HAS_IMP_CGAL_swigconstant(_IMP_atom)
386 IMP_DISPLAY_HAS_IMP_CGAL = _IMP_atom.IMP_DISPLAY_HAS_IMP_CGAL
387 
388 _IMP_atom.IMP_DISPLAY_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_atom)
389 IMP_DISPLAY_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_DISPLAY_HAS_BOOST_FILESYSTEM
390 
391 _IMP_atom.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_atom)
392 IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_DISPLAY_HAS_BOOST_PROGRAMOPTIONS
393 
394 _IMP_atom.IMP_DISPLAY_HAS_BOOST_RANDOM_swigconstant(_IMP_atom)
395 IMP_DISPLAY_HAS_BOOST_RANDOM = _IMP_atom.IMP_DISPLAY_HAS_BOOST_RANDOM
396 
397 _IMP_atom.IMP_DISPLAY_HAS_BOOST_SYSTEM_swigconstant(_IMP_atom)
398 IMP_DISPLAY_HAS_BOOST_SYSTEM = _IMP_atom.IMP_DISPLAY_HAS_BOOST_SYSTEM
399 
400 _IMP_atom.IMP_DISPLAY_HAS_CGAL_swigconstant(_IMP_atom)
401 IMP_DISPLAY_HAS_CGAL = _IMP_atom.IMP_DISPLAY_HAS_CGAL
402 
403 _IMP_atom.IMP_DISPLAY_HAS_NUMPY_swigconstant(_IMP_atom)
404 IMP_DISPLAY_HAS_NUMPY = _IMP_atom.IMP_DISPLAY_HAS_NUMPY
405 
406 _IMP_atom.IMPDISPLAY_SHOW_WARNINGS_swigconstant(_IMP_atom)
407 IMPDISPLAY_SHOW_WARNINGS = _IMP_atom.IMPDISPLAY_SHOW_WARNINGS
408 import IMP.display
409 
410 _IMP_atom.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL_swigconstant(_IMP_atom)
411 IMP_SCORE_FUNCTOR_HAS_IMP_CGAL = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_IMP_CGAL
412 
413 _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_atom)
414 IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_FILESYSTEM
415 
416 _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_atom)
417 IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_PROGRAMOPTIONS
418 
419 _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM_swigconstant(_IMP_atom)
420 IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_RANDOM
421 
422 _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM_swigconstant(_IMP_atom)
423 IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_BOOST_SYSTEM
424 
425 _IMP_atom.IMP_SCORE_FUNCTOR_HAS_CGAL_swigconstant(_IMP_atom)
426 IMP_SCORE_FUNCTOR_HAS_CGAL = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_CGAL
427 
428 _IMP_atom.IMP_SCORE_FUNCTOR_HAS_HDF5_swigconstant(_IMP_atom)
429 IMP_SCORE_FUNCTOR_HAS_HDF5 = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_HDF5
430 
431 _IMP_atom.IMP_SCORE_FUNCTOR_HAS_NUMPY_swigconstant(_IMP_atom)
432 IMP_SCORE_FUNCTOR_HAS_NUMPY = _IMP_atom.IMP_SCORE_FUNCTOR_HAS_NUMPY
433 
434 _IMP_atom.IMPSCOREFUNCTOR_SHOW_WARNINGS_swigconstant(_IMP_atom)
435 IMPSCOREFUNCTOR_SHOW_WARNINGS = _IMP_atom.IMPSCOREFUNCTOR_SHOW_WARNINGS
436 import IMP.score_functor
437 
438 _IMP_atom.IMP_CORE_HAS_IMP_CGAL_swigconstant(_IMP_atom)
439 IMP_CORE_HAS_IMP_CGAL = _IMP_atom.IMP_CORE_HAS_IMP_CGAL
440 
441 _IMP_atom.IMP_CORE_HAS_IMP_KERNEL_swigconstant(_IMP_atom)
442 IMP_CORE_HAS_IMP_KERNEL = _IMP_atom.IMP_CORE_HAS_IMP_KERNEL
443 
444 _IMP_atom.IMP_CORE_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_atom)
445 IMP_CORE_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_CORE_HAS_BOOST_FILESYSTEM
446 
447 _IMP_atom.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_atom)
448 IMP_CORE_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_CORE_HAS_BOOST_PROGRAMOPTIONS
449 
450 _IMP_atom.IMP_CORE_HAS_BOOST_RANDOM_swigconstant(_IMP_atom)
451 IMP_CORE_HAS_BOOST_RANDOM = _IMP_atom.IMP_CORE_HAS_BOOST_RANDOM
452 
453 _IMP_atom.IMP_CORE_HAS_BOOST_SYSTEM_swigconstant(_IMP_atom)
454 IMP_CORE_HAS_BOOST_SYSTEM = _IMP_atom.IMP_CORE_HAS_BOOST_SYSTEM
455 
456 _IMP_atom.IMP_CORE_HAS_CGAL_swigconstant(_IMP_atom)
457 IMP_CORE_HAS_CGAL = _IMP_atom.IMP_CORE_HAS_CGAL
458 
459 _IMP_atom.IMP_CORE_HAS_HDF5_swigconstant(_IMP_atom)
460 IMP_CORE_HAS_HDF5 = _IMP_atom.IMP_CORE_HAS_HDF5
461 
462 _IMP_atom.IMP_CORE_HAS_NUMPY_swigconstant(_IMP_atom)
463 IMP_CORE_HAS_NUMPY = _IMP_atom.IMP_CORE_HAS_NUMPY
464 
465 _IMP_atom.IMPCORE_SHOW_WARNINGS_swigconstant(_IMP_atom)
466 IMPCORE_SHOW_WARNINGS = _IMP_atom.IMPCORE_SHOW_WARNINGS
467 import IMP.core
468 
469 _IMP_atom.IMP_CONTAINER_HAS_IMP_ALGEBRA_swigconstant(_IMP_atom)
470 IMP_CONTAINER_HAS_IMP_ALGEBRA = _IMP_atom.IMP_CONTAINER_HAS_IMP_ALGEBRA
471 
472 _IMP_atom.IMP_CONTAINER_HAS_IMP_CGAL_swigconstant(_IMP_atom)
473 IMP_CONTAINER_HAS_IMP_CGAL = _IMP_atom.IMP_CONTAINER_HAS_IMP_CGAL
474 
475 _IMP_atom.IMP_CONTAINER_HAS_IMP_DISPLAY_swigconstant(_IMP_atom)
476 IMP_CONTAINER_HAS_IMP_DISPLAY = _IMP_atom.IMP_CONTAINER_HAS_IMP_DISPLAY
477 
478 _IMP_atom.IMP_CONTAINER_HAS_IMP_KERNEL_swigconstant(_IMP_atom)
479 IMP_CONTAINER_HAS_IMP_KERNEL = _IMP_atom.IMP_CONTAINER_HAS_IMP_KERNEL
480 
481 _IMP_atom.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR_swigconstant(_IMP_atom)
482 IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR = _IMP_atom.IMP_CONTAINER_HAS_IMP_SCORE_FUNCTOR
483 
484 _IMP_atom.IMP_CONTAINER_HAS_BOOST_FILESYSTEM_swigconstant(_IMP_atom)
485 IMP_CONTAINER_HAS_BOOST_FILESYSTEM = _IMP_atom.IMP_CONTAINER_HAS_BOOST_FILESYSTEM
486 
487 _IMP_atom.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_atom)
488 IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_CONTAINER_HAS_BOOST_PROGRAMOPTIONS
489 
490 _IMP_atom.IMP_CONTAINER_HAS_BOOST_RANDOM_swigconstant(_IMP_atom)
491 IMP_CONTAINER_HAS_BOOST_RANDOM = _IMP_atom.IMP_CONTAINER_HAS_BOOST_RANDOM
492 
493 _IMP_atom.IMP_CONTAINER_HAS_BOOST_SYSTEM_swigconstant(_IMP_atom)
494 IMP_CONTAINER_HAS_BOOST_SYSTEM = _IMP_atom.IMP_CONTAINER_HAS_BOOST_SYSTEM
495 
496 _IMP_atom.IMP_CONTAINER_HAS_CGAL_swigconstant(_IMP_atom)
497 IMP_CONTAINER_HAS_CGAL = _IMP_atom.IMP_CONTAINER_HAS_CGAL
498 
499 _IMP_atom.IMP_CONTAINER_HAS_HDF5_swigconstant(_IMP_atom)
500 IMP_CONTAINER_HAS_HDF5 = _IMP_atom.IMP_CONTAINER_HAS_HDF5
501 
502 _IMP_atom.IMP_CONTAINER_HAS_NUMPY_swigconstant(_IMP_atom)
503 IMP_CONTAINER_HAS_NUMPY = _IMP_atom.IMP_CONTAINER_HAS_NUMPY
504 
505 _IMP_atom.IMP_CONTAINER_HAS_PYTHON_IHM_swigconstant(_IMP_atom)
506 IMP_CONTAINER_HAS_PYTHON_IHM = _IMP_atom.IMP_CONTAINER_HAS_PYTHON_IHM
507 
508 _IMP_atom.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP_swigconstant(_IMP_atom)
509 IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP = _IMP_atom.IMP_CONTAINER_HAS_GOOGLE_DENSE_HASH_MAP
510 
511 _IMP_atom.IMP_CONTAINER_HAS_ROBIN_MAP_swigconstant(_IMP_atom)
512 IMP_CONTAINER_HAS_ROBIN_MAP = _IMP_atom.IMP_CONTAINER_HAS_ROBIN_MAP
513 
514 _IMP_atom.IMPCONTAINER_SHOW_WARNINGS_swigconstant(_IMP_atom)
515 IMPCONTAINER_SHOW_WARNINGS = _IMP_atom.IMPCONTAINER_SHOW_WARNINGS
516 import IMP.container
517 
518 _IMP_atom.IMP_ATOM_HAS_IMP_CGAL_swigconstant(_IMP_atom)
519 IMP_ATOM_HAS_IMP_CGAL = _IMP_atom.IMP_ATOM_HAS_IMP_CGAL
520 
521 _IMP_atom.IMP_ATOM_HAS_IMP_KERNEL_swigconstant(_IMP_atom)
522 IMP_ATOM_HAS_IMP_KERNEL = _IMP_atom.IMP_ATOM_HAS_IMP_KERNEL
523 
524 _IMP_atom.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR_swigconstant(_IMP_atom)
525 IMP_ATOM_HAS_IMP_SCORE_FUNCTOR = _IMP_atom.IMP_ATOM_HAS_IMP_SCORE_FUNCTOR
526 
527 _IMP_atom.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS_swigconstant(_IMP_atom)
528 IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS = _IMP_atom.IMP_ATOM_HAS_BOOST_PROGRAMOPTIONS
529 
530 _IMP_atom.IMP_ATOM_HAS_BOOST_RANDOM_swigconstant(_IMP_atom)
531 IMP_ATOM_HAS_BOOST_RANDOM = _IMP_atom.IMP_ATOM_HAS_BOOST_RANDOM
532 
533 _IMP_atom.IMP_ATOM_HAS_BOOST_REGEX_swigconstant(_IMP_atom)
534 IMP_ATOM_HAS_BOOST_REGEX = _IMP_atom.IMP_ATOM_HAS_BOOST_REGEX
535 
536 _IMP_atom.IMP_ATOM_HAS_BOOST_SYSTEM_swigconstant(_IMP_atom)
537 IMP_ATOM_HAS_BOOST_SYSTEM = _IMP_atom.IMP_ATOM_HAS_BOOST_SYSTEM
538 
539 _IMP_atom.IMP_ATOM_HAS_CGAL_swigconstant(_IMP_atom)
540 IMP_ATOM_HAS_CGAL = _IMP_atom.IMP_ATOM_HAS_CGAL
541 
542 _IMP_atom.IMP_ATOM_HAS_HDF5_swigconstant(_IMP_atom)
543 IMP_ATOM_HAS_HDF5 = _IMP_atom.IMP_ATOM_HAS_HDF5
544 
545 _IMP_atom.IMP_ATOM_HAS_NUMPY_swigconstant(_IMP_atom)
546 IMP_ATOM_HAS_NUMPY = _IMP_atom.IMP_ATOM_HAS_NUMPY
547 
548 _IMP_atom.IMP_ATOM_HAS_PYTHON_IHM_swigconstant(_IMP_atom)
549 IMP_ATOM_HAS_PYTHON_IHM = _IMP_atom.IMP_ATOM_HAS_PYTHON_IHM
550 
551 _IMP_atom.IMPATOM_SHOW_WARNINGS_swigconstant(_IMP_atom)
552 IMPATOM_SHOW_WARNINGS = _IMP_atom.IMPATOM_SHOW_WARNINGS
553 
554 _IMP_atom.IMP_ATOM_TYPE_INDEX_swigconstant(_IMP_atom)
555 IMP_ATOM_TYPE_INDEX = _IMP_atom.IMP_ATOM_TYPE_INDEX
556 
557 _IMP_atom.IMP_RESIDUE_TYPE_INDEX_swigconstant(_IMP_atom)
558 IMP_RESIDUE_TYPE_INDEX = _IMP_atom.IMP_RESIDUE_TYPE_INDEX
559 
560 _IMP_atom.IMP_HIERARCHY_TYPE_INDEX_swigconstant(_IMP_atom)
561 IMP_HIERARCHY_TYPE_INDEX = _IMP_atom.IMP_HIERARCHY_TYPE_INDEX
562 
563 _IMP_atom.IMP_CHAIN_TYPE_INDEX_swigconstant(_IMP_atom)
564 IMP_CHAIN_TYPE_INDEX = _IMP_atom.IMP_CHAIN_TYPE_INDEX
566  """Proxy of C++ IMP::internal::BoostDigraph<(IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex)> class"""
567  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
568  __repr__ = _swig_repr
569 
570  def __init__(self):
571  """__init__(IMP::internal::BoostDigraph<(IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex)> self) -> HierarchyTree"""
572  this = _IMP_atom.new_HierarchyTree()
573  try:
574  self.this.append(this)
575  except:
576  self.this = this
577 
578  def get_graph(self):
579  """get_graph(HierarchyTree self) -> IMP::atom::HierarchyTree const &"""
580  return _IMP_atom.HierarchyTree_get_graph(self)
581 
582 
583  def get_vertices(self):
584  """get_vertices(HierarchyTree self) -> IMP::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptors"""
585  return _IMP_atom.HierarchyTree_get_vertices(self)
586 
587 
588  def get_vertex_name(self, i):
589  """get_vertex_name(HierarchyTree self, IMP::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor i) -> Hierarchy"""
590  return _IMP_atom.HierarchyTree_get_vertex_name(self, i)
591 
592 
593  def get_in_neighbors(self, v):
594  """get_in_neighbors(HierarchyTree self, IMP::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor v) -> IMP::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptors"""
595  return _IMP_atom.HierarchyTree_get_in_neighbors(self, v)
596 
597 
598  def get_out_neighbors(self, v):
599  """get_out_neighbors(HierarchyTree self, IMP::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor v) -> IMP::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptors"""
600  return _IMP_atom.HierarchyTree_get_out_neighbors(self, v)
601 
602 
603  def show_graphviz(self, *args):
604  """
605  show_graphviz(HierarchyTree self, _ostream out)
606  show_graphviz(HierarchyTree self)
607  """
608  return _IMP_atom.HierarchyTree_show_graphviz(self, *args)
609 
610 
611  def get_graphviz_string(self):
612  """get_graphviz_string(HierarchyTree self) -> std::string"""
613  return _IMP_atom.HierarchyTree_get_graphviz_string(self)
614 
615 
616  def add_edge(self, v0, v1):
617  """add_edge(HierarchyTree self, IMP::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor v0, IMP::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor v1)"""
618  return _IMP_atom.HierarchyTree_add_edge(self, v0, v1)
619 
620 
621  def add_vertex(self, l):
622  """add_vertex(HierarchyTree self, Hierarchy l) -> IMP::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor"""
623  return _IMP_atom.HierarchyTree_add_vertex(self, l)
624 
625 
626  def remove_vertex(self, l):
627  """remove_vertex(HierarchyTree self, IMP::internal::BoostDigraph< IMP::atom::HierarchyTree,IMP::atom::Hierarchy,IMP::atom::ShowHierarchyTreeVertex >::VertexDescriptor l)"""
628  return _IMP_atom.HierarchyTree_remove_vertex(self, l)
629 
630  __swig_destroy__ = _IMP_atom.delete_HierarchyTree
631  __del__ = lambda self: None
632 HierarchyTree_swigregister = _IMP_atom.HierarchyTree_swigregister
633 HierarchyTree_swigregister(HierarchyTree)
634 
635 
636 _value_types.append("HierarchyTree")
637 
638 
639 _object_types.append("PDBSelector")
640 
641 
642 def _object_cast_to_PDBSelector(o):
643  """_object_cast_to_PDBSelector(Object o) -> PDBSelector"""
644  return _IMP_atom._object_cast_to_PDBSelector(o)
645 
646 def Angles(l=[]):
647  return [Angle(x) for x in l]
648 _plural_types.append("Angles")
649 
650 
651 _value_types.append("Angle")
652 
653 
654 def Atoms(l=[]):
655  return [Atom(x) for x in l]
656 _plural_types.append("Atoms")
657 
658 
659 _value_types.append("Atom")
660 
661 
662 def Bonds(l=[]):
663  return [Bond(x) for x in l]
664 _plural_types.append("Bonds")
665 
666 
667 _value_types.append("Bond")
668 
669 
670 def Bondeds(l=[]):
671  return [Bonded(x) for x in l]
672 _plural_types.append("Bondeds")
673 
674 
675 _value_types.append("Bonded")
676 
677 
678 def CHARMMAtomList(l=[]):
679  return [CHARMMAtom(x) for x in l]
680 _plural_types.append("CHARMMAtomList")
681 
682 
683 _value_types.append("CHARMMAtom")
684 
685 
686 def Chains(l=[]):
687  return [Chain(x) for x in l]
688 _plural_types.append("Chains")
689 
690 
691 _value_types.append("Chain")
692 
693 
694 def CenterOfMasses(l=[]):
695  return [CenterOfMass(x) for x in l]
696 _plural_types.append("CenterOfMasses")
697 
698 
699 _value_types.append("CenterOfMass")
700 
701 
702 def Chargeds(l=[]):
703  return [Charged(x) for x in l]
704 _plural_types.append("Chargeds")
705 
706 
707 _value_types.append("Charged")
708 
709 
710 def Diffusions(l=[]):
711  return [Diffusion(x) for x in l]
712 _plural_types.append("Diffusions")
713 
714 
715 _value_types.append("Diffusion")
716 
717 
718 def RigidBodyDiffusions(l=[]):
719  return [RigidBodyDiffusion(x) for x in l]
720 _plural_types.append("RigidBodyDiffusions")
721 
722 
723 _value_types.append("RigidBodyDiffusion")
724 
725 
726 def TAMDParticles(l=[]):
727  return [TAMDParticle(x) for x in l]
728 _plural_types.append("TAMDParticles")
729 
730 
731 _value_types.append("TAMDParticle")
732 
733 
734 def TAMDCentroids(l=[]):
735  return [TAMDCentroid(x) for x in l]
736 _plural_types.append("TAMDCentroids")
737 
738 
739 _value_types.append("TAMDCentroid")
740 
741 
742 def Dihedrals(l=[]):
743  return [Dihedral(x) for x in l]
744 _plural_types.append("Dihedrals")
745 
746 
747 _value_types.append("Dihedral")
748 
749 
750 def Domains(l=[]):
751  return [Domain(x) for x in l]
752 _plural_types.append("Domains")
753 
754 
755 _value_types.append("Domain")
756 
757 
758 def Fragments(l=[]):
759  return [Fragment(x) for x in l]
760 _plural_types.append("Fragments")
761 
762 
763 _value_types.append("Fragment")
764 
765 
766 def Hierarchies(l=[]):
767  return [Hierarchy(x) for x in l]
768 _plural_types.append("Hierarchies")
769 
770 
771 _value_types.append("Hierarchy")
772 
773 
774 def LennardJonesList(l=[]):
775  return [LennardJones(x) for x in l]
776 _plural_types.append("LennardJonesList")
777 
778 
779 _value_types.append("LennardJones")
780 
781 
782 def Masses(l=[]):
783  return [Mass(x) for x in l]
784 _plural_types.append("Masses")
785 
786 
787 _value_types.append("Mass")
788 
789 
790 def LinearVelocities(l=[]):
791  return [LinearVelocity(x) for x in l]
792 _plural_types.append("LinearVelocities")
793 
794 
795 _value_types.append("LinearVelocity")
796 
797 
798 def AngularVelocities(l=[]):
799  return [AngularVelocity(x) for x in l]
800 _plural_types.append("AngularVelocities")
801 
802 
803 _value_types.append("AngularVelocity")
804 
805 
806 def Molecules(l=[]):
807  return [Molecule(x) for x in l]
808 _plural_types.append("Molecules")
809 
810 
811 _value_types.append("Molecule")
812 
813 
814 def Residues(l=[]):
815  return [Residue(x) for x in l]
816 _plural_types.append("Residues")
817 
818 
819 _value_types.append("Residue")
820 
821 
822 def Representations(l=[]):
823  return [Representation(x) for x in l]
824 _plural_types.append("Representations")
825 
826 
827 _value_types.append("Representation")
828 
829 
830 def States(l=[]):
831  return [State(x) for x in l]
832 _plural_types.append("States")
833 
834 
835 _value_types.append("State")
836 
837 
838 def Copies(l=[]):
839  return [Copy(x) for x in l]
840 _plural_types.append("Copies")
841 
842 
843 _value_types.append("Copy")
844 
845 
846 def SecondaryStructureResidues(l=[]):
847  return [SecondaryStructureResidue(x) for x in l]
848 _plural_types.append("SecondaryStructureResidues")
849 
850 
851 _value_types.append("SecondaryStructureResidue")
852 
853 
854 def StructureSources(l=[]):
855  return [StructureSource(x) for x in l]
856 _plural_types.append("StructureSources")
857 
858 
859 _value_types.append("StructureSource")
860 
861 
862 _object_types.append("Simulator")
863 
864 
865 def _object_cast_to_Simulator(o):
866  """_object_cast_to_Simulator(Object o) -> Simulator"""
867  return _IMP_atom._object_cast_to_Simulator(o)
868 
869 _object_types.append("ATOMPDBSelector")
870 
871 
872 def _object_cast_to_ATOMPDBSelector(o):
873  """_object_cast_to_ATOMPDBSelector(Object o) -> ATOMPDBSelector"""
874  return _IMP_atom._object_cast_to_ATOMPDBSelector(o)
875 
876 _object_types.append("AllMol2Selector")
877 
878 
879 def _object_cast_to_AllMol2Selector(o):
880  """_object_cast_to_AllMol2Selector(Object o) -> AllMol2Selector"""
881  return _IMP_atom._object_cast_to_AllMol2Selector(o)
882 
883 _object_types.append("AllPDBSelector")
884 
885 
886 def _object_cast_to_AllPDBSelector(o):
887  """_object_cast_to_AllPDBSelector(Object o) -> AllPDBSelector"""
888  return _IMP_atom._object_cast_to_AllPDBSelector(o)
889 
890 _object_types.append("AndPDBSelector")
891 
892 
893 def _object_cast_to_AndPDBSelector(o):
894  """_object_cast_to_AndPDBSelector(Object o) -> AndPDBSelector"""
895  return _IMP_atom._object_cast_to_AndPDBSelector(o)
896 
897 _object_types.append("XorPDBSelector")
898 
899 
900 def _object_cast_to_XorPDBSelector(o):
901  """_object_cast_to_XorPDBSelector(Object o) -> XorPDBSelector"""
902  return _IMP_atom._object_cast_to_XorPDBSelector(o)
903 
904 _object_types.append("ResidueTypePDBSelector")
905 
906 
907 def _object_cast_to_ResidueTypePDBSelector(o):
908  """_object_cast_to_ResidueTypePDBSelector(Object o) -> ResidueTypePDBSelector"""
909  return _IMP_atom._object_cast_to_ResidueTypePDBSelector(o)
910 
911 _object_types.append("AtomTypePDBSelector")
912 
913 
914 def _object_cast_to_AtomTypePDBSelector(o):
915  """_object_cast_to_AtomTypePDBSelector(Object o) -> AtomTypePDBSelector"""
916  return _IMP_atom._object_cast_to_AtomTypePDBSelector(o)
917 
918 _object_types.append("AngleSingletonScore")
919 
920 
921 def _object_cast_to_AngleSingletonScore(o):
922  """_object_cast_to_AngleSingletonScore(Object o) -> AngleSingletonScore"""
923  return _IMP_atom._object_cast_to_AngleSingletonScore(o)
924 
925 _object_types.append("BondEndpointsRefiner")
926 
927 
928 def _object_cast_to_BondEndpointsRefiner(o):
929  """_object_cast_to_BondEndpointsRefiner(Object o) -> BondEndpointsRefiner"""
930  return _IMP_atom._object_cast_to_BondEndpointsRefiner(o)
931 
932 _object_types.append("BondPairContainer")
933 
934 
935 def _object_cast_to_BondPairContainer(o):
936  """_object_cast_to_BondPairContainer(Object o) -> BondPairContainer"""
937  return _IMP_atom._object_cast_to_BondPairContainer(o)
938 
939 _object_types.append("BondSingletonScore")
940 
941 
942 def _object_cast_to_BondSingletonScore(o):
943  """_object_cast_to_BondSingletonScore(Object o) -> BondSingletonScore"""
944  return _IMP_atom._object_cast_to_BondSingletonScore(o)
945 
946 _object_types.append("BondedPairFilter")
947 
948 
949 def _object_cast_to_BondedPairFilter(o):
950  """_object_cast_to_BondedPairFilter(Object o) -> BondedPairFilter"""
951  return _IMP_atom._object_cast_to_BondedPairFilter(o)
952 
953 _object_types.append("BrownianDynamics")
954 
955 
956 def _object_cast_to_BrownianDynamics(o):
957  """_object_cast_to_BrownianDynamics(Object o) -> BrownianDynamics"""
958  return _IMP_atom._object_cast_to_BrownianDynamics(o)
959 
960 _object_types.append("BrownianDynamicsTAMD")
961 
962 
963 def _object_cast_to_BrownianDynamicsTAMD(o):
964  """_object_cast_to_BrownianDynamicsTAMD(Object o) -> BrownianDynamicsTAMD"""
965  return _IMP_atom._object_cast_to_BrownianDynamicsTAMD(o)
966 
967 _object_types.append("CAlphaPDBSelector")
968 
969 
970 def _object_cast_to_CAlphaPDBSelector(o):
971  """_object_cast_to_CAlphaPDBSelector(Object o) -> CAlphaPDBSelector"""
972  return _IMP_atom._object_cast_to_CAlphaPDBSelector(o)
973 
974 _object_types.append("CBetaPDBSelector")
975 
976 
977 def _object_cast_to_CBetaPDBSelector(o):
978  """_object_cast_to_CBetaPDBSelector(Object o) -> CBetaPDBSelector"""
979  return _IMP_atom._object_cast_to_CBetaPDBSelector(o)
980 
981 _object_types.append("BackbonePDBSelector")
982 
983 
984 def _object_cast_to_BackbonePDBSelector(o):
985  """_object_cast_to_BackbonePDBSelector(Object o) -> BackbonePDBSelector"""
986  return _IMP_atom._object_cast_to_BackbonePDBSelector(o)
987 
988 _object_types.append("CHARMMParameters")
989 
990 
991 def _object_cast_to_CHARMMParameters(o):
992  """_object_cast_to_CHARMMParameters(Object o) -> CHARMMParameters"""
993  return _IMP_atom._object_cast_to_CHARMMParameters(o)
994 
995 _object_types.append("CHARMMResidueTopology")
996 
997 
998 def _object_cast_to_CHARMMResidueTopology(o):
999  """_object_cast_to_CHARMMResidueTopology(Object o) -> CHARMMResidueTopology"""
1000  return _IMP_atom._object_cast_to_CHARMMResidueTopology(o)
1001 
1002 _object_types.append("CHARMMSegmentTopology")
1003 
1004 
1005 def _object_cast_to_CHARMMSegmentTopology(o):
1006  """_object_cast_to_CHARMMSegmentTopology(Object o) -> CHARMMSegmentTopology"""
1007  return _IMP_atom._object_cast_to_CHARMMSegmentTopology(o)
1008 
1009 _object_types.append("CHARMMStereochemistryRestraint")
1010 
1011 
1012 def _object_cast_to_CHARMMStereochemistryRestraint(o):
1013  """_object_cast_to_CHARMMStereochemistryRestraint(Object o) -> CHARMMStereochemistryRestraint"""
1014  return _IMP_atom._object_cast_to_CHARMMStereochemistryRestraint(o)
1015 
1016 _object_types.append("CHARMMTopology")
1017 
1018 
1019 def _object_cast_to_CHARMMTopology(o):
1020  """_object_cast_to_CHARMMTopology(Object o) -> CHARMMTopology"""
1021  return _IMP_atom._object_cast_to_CHARMMTopology(o)
1022 
1023 _object_types.append("CPDBSelector")
1024 
1025 
1026 def _object_cast_to_CPDBSelector(o):
1027  """_object_cast_to_CPDBSelector(Object o) -> CPDBSelector"""
1028  return _IMP_atom._object_cast_to_CPDBSelector(o)
1029 
1030 _object_types.append("ChainPDBSelector")
1031 
1032 
1033 def _object_cast_to_ChainPDBSelector(o):
1034  """_object_cast_to_ChainPDBSelector(Object o) -> ChainPDBSelector"""
1035  return _IMP_atom._object_cast_to_ChainPDBSelector(o)
1036 
1037 _object_types.append("CoulombPairScore")
1038 
1039 
1040 def _object_cast_to_CoulombPairScore(o):
1041  """_object_cast_to_CoulombPairScore(Object o) -> CoulombPairScore"""
1042  return _IMP_atom._object_cast_to_CoulombPairScore(o)
1043 
1044 _object_types.append("CoverBond")
1045 
1046 
1047 def _object_cast_to_CoverBond(o):
1048  """_object_cast_to_CoverBond(Object o) -> CoverBond"""
1049  return _IMP_atom._object_cast_to_CoverBond(o)
1050 
1051 _object_types.append("DihedralSingletonScore")
1052 
1053 
1054 def _object_cast_to_DihedralSingletonScore(o):
1055  """_object_cast_to_DihedralSingletonScore(Object o) -> DihedralSingletonScore"""
1056  return _IMP_atom._object_cast_to_DihedralSingletonScore(o)
1057 
1058 _object_types.append("DopePairScore")
1059 
1060 
1061 def _object_cast_to_DopePairScore(o):
1062  """_object_cast_to_DopePairScore(Object o) -> DopePairScore"""
1063  return _IMP_atom._object_cast_to_DopePairScore(o)
1064 
1065 _object_types.append("LoopStatisticalPairScore")
1066 
1067 
1068 def _object_cast_to_LoopStatisticalPairScore(o):
1069  """_object_cast_to_LoopStatisticalPairScore(Object o) -> LoopStatisticalPairScore"""
1070  return _IMP_atom._object_cast_to_LoopStatisticalPairScore(o)
1071 
1072 _object_types.append("OrientedSoapPairScore")
1073 
1074 
1075 def _object_cast_to_OrientedSoapPairScore(o):
1076  """_object_cast_to_OrientedSoapPairScore(Object o) -> OrientedSoapPairScore"""
1077  return _IMP_atom._object_cast_to_OrientedSoapPairScore(o)
1078 
1079 _object_types.append("EzRestraint")
1080 
1081 
1082 def _object_cast_to_EzRestraint(o):
1083  """_object_cast_to_EzRestraint(Object o) -> EzRestraint"""
1084  return _IMP_atom._object_cast_to_EzRestraint(o)
1085 
1086 _object_types.append("ForceFieldParameters")
1087 
1088 
1089 def _object_cast_to_ForceFieldParameters(o):
1090  """_object_cast_to_ForceFieldParameters(Object o) -> ForceFieldParameters"""
1091  return _IMP_atom._object_cast_to_ForceFieldParameters(o)
1092 
1093 _object_types.append("ForceSwitch")
1094 
1095 
1096 def _object_cast_to_ForceSwitch(o):
1097  """_object_cast_to_ForceSwitch(Object o) -> ForceSwitch"""
1098  return _IMP_atom._object_cast_to_ForceSwitch(o)
1099 
1100 _object_types.append("HydrogenPDBSelector")
1101 
1102 
1103 def _object_cast_to_HydrogenPDBSelector(o):
1104  """_object_cast_to_HydrogenPDBSelector(Object o) -> HydrogenPDBSelector"""
1105  return _IMP_atom._object_cast_to_HydrogenPDBSelector(o)
1106 
1107 _object_types.append("ImproperSingletonScore")
1108 
1109 
1110 def _object_cast_to_ImproperSingletonScore(o):
1111  """_object_cast_to_ImproperSingletonScore(Object o) -> ImproperSingletonScore"""
1112  return _IMP_atom._object_cast_to_ImproperSingletonScore(o)
1113 
1114 _object_types.append("LennardJonesPairScore")
1115 
1116 
1117 def _object_cast_to_LennardJonesPairScore(o):
1118  """_object_cast_to_LennardJonesPairScore(Object o) -> LennardJonesPairScore"""
1119  return _IMP_atom._object_cast_to_LennardJonesPairScore(o)
1120 
1121 _object_types.append("Mol2Selector")
1122 
1123 
1124 def _object_cast_to_Mol2Selector(o):
1125  """_object_cast_to_Mol2Selector(Object o) -> Mol2Selector"""
1126  return _IMP_atom._object_cast_to_Mol2Selector(o)
1127 
1128 _object_types.append("MolecularDynamics")
1129 
1130 
1131 def _object_cast_to_MolecularDynamics(o):
1132  """_object_cast_to_MolecularDynamics(Object o) -> MolecularDynamics"""
1133  return _IMP_atom._object_cast_to_MolecularDynamics(o)
1134 
1135 _object_types.append("NPDBSelector")
1136 
1137 
1138 def _object_cast_to_NPDBSelector(o):
1139  """_object_cast_to_NPDBSelector(Object o) -> NPDBSelector"""
1140  return _IMP_atom._object_cast_to_NPDBSelector(o)
1141 
1142 _object_types.append("NonAlternativePDBSelector")
1143 
1144 
1145 def _object_cast_to_NonAlternativePDBSelector(o):
1146  """_object_cast_to_NonAlternativePDBSelector(Object o) -> NonAlternativePDBSelector"""
1147  return _IMP_atom._object_cast_to_NonAlternativePDBSelector(o)
1148 
1149 _object_types.append("NonHydrogenMol2Selector")
1150 
1151 
1152 def _object_cast_to_NonHydrogenMol2Selector(o):
1153  """_object_cast_to_NonHydrogenMol2Selector(Object o) -> NonHydrogenMol2Selector"""
1154  return _IMP_atom._object_cast_to_NonHydrogenMol2Selector(o)
1155 
1156 _object_types.append("NonHydrogenPDBSelector")
1157 
1158 
1159 def _object_cast_to_NonHydrogenPDBSelector(o):
1160  """_object_cast_to_NonHydrogenPDBSelector(Object o) -> NonHydrogenPDBSelector"""
1161  return _IMP_atom._object_cast_to_NonHydrogenPDBSelector(o)
1162 
1163 _object_types.append("NonWaterNonHydrogenPDBSelector")
1164 
1165 
1166 def _object_cast_to_NonWaterNonHydrogenPDBSelector(o):
1167  """_object_cast_to_NonWaterNonHydrogenPDBSelector(Object o) -> NonWaterNonHydrogenPDBSelector"""
1168  return _IMP_atom._object_cast_to_NonWaterNonHydrogenPDBSelector(o)
1169 
1170 _object_types.append("NonWaterPDBSelector")
1171 
1172 
1173 def _object_cast_to_NonWaterPDBSelector(o):
1174  """_object_cast_to_NonWaterPDBSelector(Object o) -> NonWaterPDBSelector"""
1175  return _IMP_atom._object_cast_to_NonWaterPDBSelector(o)
1176 
1177 _object_types.append("NotPDBSelector")
1178 
1179 
1180 def _object_cast_to_NotPDBSelector(o):
1181  """_object_cast_to_NotPDBSelector(Object o) -> NotPDBSelector"""
1182  return _IMP_atom._object_cast_to_NotPDBSelector(o)
1183 
1184 _object_types.append("OrPDBSelector")
1185 
1186 
1187 def _object_cast_to_OrPDBSelector(o):
1188  """_object_cast_to_OrPDBSelector(Object o) -> OrPDBSelector"""
1189  return _IMP_atom._object_cast_to_OrPDBSelector(o)
1190 
1191 _object_types.append("PPDBSelector")
1192 
1193 
1194 def _object_cast_to_PPDBSelector(o):
1195  """_object_cast_to_PPDBSelector(Object o) -> PPDBSelector"""
1196  return _IMP_atom._object_cast_to_PPDBSelector(o)
1197 
1198 _object_types.append("ProteinLigandAtomPairScore")
1199 
1200 
1201 def _object_cast_to_ProteinLigandAtomPairScore(o):
1202  """_object_cast_to_ProteinLigandAtomPairScore(Object o) -> ProteinLigandAtomPairScore"""
1203  return _IMP_atom._object_cast_to_ProteinLigandAtomPairScore(o)
1204 
1205 _object_types.append("ProteinLigandRestraint")
1206 
1207 
1208 def _object_cast_to_ProteinLigandRestraint(o):
1209  """_object_cast_to_ProteinLigandRestraint(Object o) -> ProteinLigandRestraint"""
1210  return _IMP_atom._object_cast_to_ProteinLigandRestraint(o)
1211 
1212 _object_types.append("SameResiduePairFilter")
1213 
1214 
1215 def _object_cast_to_SameResiduePairFilter(o):
1216  """_object_cast_to_SameResiduePairFilter(Object o) -> SameResiduePairFilter"""
1217  return _IMP_atom._object_cast_to_SameResiduePairFilter(o)
1218 
1219 _object_types.append("SoapPairFilter")
1220 
1221 
1222 def _object_cast_to_SoapPairFilter(o):
1223  """_object_cast_to_SoapPairFilter(Object o) -> SoapPairFilter"""
1224  return _IMP_atom._object_cast_to_SoapPairFilter(o)
1225 
1226 _object_types.append("SmoothingFunction")
1227 
1228 
1229 def _object_cast_to_SmoothingFunction(o):
1230  """_object_cast_to_SmoothingFunction(Object o) -> SmoothingFunction"""
1231  return _IMP_atom._object_cast_to_SmoothingFunction(o)
1232 
1233 _object_types.append("StereochemistryPairFilter")
1234 
1235 
1236 def _object_cast_to_StereochemistryPairFilter(o):
1237  """_object_cast_to_StereochemistryPairFilter(Object o) -> StereochemistryPairFilter"""
1238  return _IMP_atom._object_cast_to_StereochemistryPairFilter(o)
1239 
1240 _object_types.append("VelocityScalingOptimizerState")
1241 
1242 
1243 def _object_cast_to_VelocityScalingOptimizerState(o):
1244  """_object_cast_to_VelocityScalingOptimizerState(Object o) -> VelocityScalingOptimizerState"""
1245  return _IMP_atom._object_cast_to_VelocityScalingOptimizerState(o)
1246 
1247 _object_types.append("WaterPDBSelector")
1248 
1249 
1250 def _object_cast_to_WaterPDBSelector(o):
1251  """_object_cast_to_WaterPDBSelector(Object o) -> WaterPDBSelector"""
1252  return _IMP_atom._object_cast_to_WaterPDBSelector(o)
1253 
1254 _object_types.append("WritePDBOptimizerState")
1255 
1256 
1257 def _object_cast_to_WritePDBOptimizerState(o):
1258  """_object_cast_to_WritePDBOptimizerState(Object o) -> WritePDBOptimizerState"""
1259  return _IMP_atom._object_cast_to_WritePDBOptimizerState(o)
1260 
1261 AtomTypes=list
1262 _plural_types.append("AtomTypes")
1263 _value_types.append("AtomType")
1264 
1265 
1266 CHARMMAtomTopologies=list
1267 _plural_types.append("CHARMMAtomTopologies")
1268 _value_types.append("CHARMMAtomTopology")
1269 
1270 
1271 CHARMMBondEndpoints=list
1272 _plural_types.append("CHARMMBondEndpoints")
1273 _value_types.append("CHARMMBondEndpoint")
1274 
1275 
1276 CHARMMBondParametersList=list
1277 _plural_types.append("CHARMMBondParametersList")
1278 _value_types.append("CHARMMBondParameters")
1279 
1280 
1281 CHARMMDihedralParametersList=list
1282 _plural_types.append("CHARMMDihedralParametersList")
1283 _value_types.append("CHARMMDihedralParameters")
1284 
1285 
1286 _object_types.append("CHARMMIdealResidueTopology")
1287 
1288 
1289 def _object_cast_to_CHARMMIdealResidueTopology(o):
1290  """_object_cast_to_CHARMMIdealResidueTopology(Object o) -> CHARMMIdealResidueTopology"""
1291  return _IMP_atom._object_cast_to_CHARMMIdealResidueTopology(o)
1292 
1293 CHARMMInternalCoordinates=list
1294 _plural_types.append("CHARMMInternalCoordinates")
1295 _value_types.append("CHARMMInternalCoordinate")
1296 
1297 
1298 _object_types.append("CHARMMPatch")
1299 
1300 
1301 def _object_cast_to_CHARMMPatch(o):
1302  """_object_cast_to_CHARMMPatch(Object o) -> CHARMMPatch"""
1303  return _IMP_atom._object_cast_to_CHARMMPatch(o)
1304 
1305 _object_types.append("CHARMMResidueTopologyBase")
1306 
1307 
1308 def _object_cast_to_CHARMMResidueTopologyBase(o):
1309  """_object_cast_to_CHARMMResidueTopologyBase(Object o) -> CHARMMResidueTopologyBase"""
1310  return _IMP_atom._object_cast_to_CHARMMResidueTopologyBase(o)
1311 
1312 ResidueTypes=list
1313 _plural_types.append("ResidueTypes")
1314 _value_types.append("ResidueType")
1315 
1316 
1317 ChainTypes=list
1318 _plural_types.append("ChainTypes")
1319 _value_types.append("ChainType")
1320 
1321 
1322 Selections=list
1323 _plural_types.append("Selections")
1324 _value_types.append("Selection")
1325 
1326 
1327 _object_types.append("RemoveRigidMotionOptimizerState")
1328 
1329 
1330 def _object_cast_to_RemoveRigidMotionOptimizerState(o):
1331  """_object_cast_to_RemoveRigidMotionOptimizerState(Object o) -> RemoveRigidMotionOptimizerState"""
1332  return _IMP_atom._object_cast_to_RemoveRigidMotionOptimizerState(o)
1333 
1334 _object_types.append("BerendsenThermostatOptimizerState")
1335 
1336 
1337 def _object_cast_to_BerendsenThermostatOptimizerState(o):
1338  """_object_cast_to_BerendsenThermostatOptimizerState(Object o) -> BerendsenThermostatOptimizerState"""
1339  return _IMP_atom._object_cast_to_BerendsenThermostatOptimizerState(o)
1340 
1341 _object_types.append("LangevinThermostatOptimizerState")
1342 
1343 
1344 def _object_cast_to_LangevinThermostatOptimizerState(o):
1345  """_object_cast_to_LangevinThermostatOptimizerState(Object o) -> LangevinThermostatOptimizerState"""
1346  return _IMP_atom._object_cast_to_LangevinThermostatOptimizerState(o)
1347 
1348 _object_types.append("SelectionGeometry")
1349 
1350 
1351 def _object_cast_to_SelectionGeometry(o):
1352  """_object_cast_to_SelectionGeometry(Object o) -> SelectionGeometry"""
1353  return _IMP_atom._object_cast_to_SelectionGeometry(o)
1354 
1355 _object_types.append("HierarchyGeometry")
1356 
1357 
1358 def _object_cast_to_HierarchyGeometry(o):
1359  """_object_cast_to_HierarchyGeometry(Object o) -> HierarchyGeometry"""
1360  return _IMP_atom._object_cast_to_HierarchyGeometry(o)
1361 
1362 _object_types.append("HierarchiesGeometry")
1363 
1364 
1365 def _object_cast_to_HierarchiesGeometry(o):
1366  """_object_cast_to_HierarchiesGeometry(Object o) -> HierarchiesGeometry"""
1367  return _IMP_atom._object_cast_to_HierarchiesGeometry(o)
1368 
1369 _object_types.append("BondGeometry")
1370 
1371 
1372 def _object_cast_to_BondGeometry(o):
1373  """_object_cast_to_BondGeometry(Object o) -> BondGeometry"""
1374  return _IMP_atom._object_cast_to_BondGeometry(o)
1375 
1376 _object_types.append("BondsGeometry")
1377 
1378 
1379 def _object_cast_to_BondsGeometry(o):
1380  """_object_cast_to_BondsGeometry(Object o) -> BondsGeometry"""
1381  return _IMP_atom._object_cast_to_BondsGeometry(o)
1382 
1383 _object_types.append("CAAngleRestraint")
1384 
1385 
1386 def _object_cast_to_CAAngleRestraint(o):
1387  """_object_cast_to_CAAngleRestraint(Object o) -> CAAngleRestraint"""
1388  return _IMP_atom._object_cast_to_CAAngleRestraint(o)
1389 
1390 _object_types.append("CADihedralRestraint")
1391 
1392 
1393 def _object_cast_to_CADihedralRestraint(o):
1394  """_object_cast_to_CADihedralRestraint(Object o) -> CADihedralRestraint"""
1395  return _IMP_atom._object_cast_to_CADihedralRestraint(o)
1396 
1397 _object_types.append("HelixRestraint")
1398 
1399 
1400 def _object_cast_to_HelixRestraint(o):
1401  """_object_cast_to_HelixRestraint(Object o) -> HelixRestraint"""
1402  return _IMP_atom._object_cast_to_HelixRestraint(o)
1403 
1404 CHARMMDihedrals=list
1405 _plural_types.append("CHARMMDihedrals")
1406 _value_types.append("CHARMMDihedral")
1407 
1408 
1409 CHARMMBonds=list
1410 _plural_types.append("CHARMMBonds")
1411 _value_types.append("CHARMMBond")
1412 
1413 
1414 CHARMMAngles=list
1415 _plural_types.append("CHARMMAngles")
1416 _value_types.append("CHARMMAngle")
1417 
1418 class Bond(IMP.Decorator):
1419  """Proxy of C++ IMP::atom::Bond class"""
1420  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1421 
1422  def __init__(self, *args):
1423  """
1424  __init__(IMP::atom::Bond self) -> Bond
1425  __init__(IMP::atom::Bond self, Model m, ParticleIndex id) -> Bond
1426  __init__(IMP::atom::Bond self, _ParticleAdaptor d) -> Bond
1427  """
1428  this = _IMP_atom.new_Bond(*args)
1429  try:
1430  self.this.append(this)
1431  except:
1432  self.this = this
1433 
1434  def show(self, *args):
1435  """
1436  show(Bond self, _ostream out)
1437  show(Bond self)
1438  """
1439  return _IMP_atom.Bond_show(self, *args)
1440 
1441 
1442  def get_is_setup(*args):
1443  """
1444  get_is_setup(_ParticleAdaptor p) -> bool
1445  get_is_setup(Model m, ParticleIndex pi) -> bool
1446  """
1447  return _IMP_atom.Bond_get_is_setup(*args)
1448 
1449  get_is_setup = staticmethod(get_is_setup)
1450  UNKNOWN = _IMP_atom.Bond_UNKNOWN
1451  NONBIOLOGICAL = _IMP_atom.Bond_NONBIOLOGICAL
1452  SINGLE = _IMP_atom.Bond_SINGLE
1453  DOUBLE = _IMP_atom.Bond_DOUBLE
1454  TRIPLE = _IMP_atom.Bond_TRIPLE
1455  HYDROGEN = _IMP_atom.Bond_HYDROGEN
1456  SALT = _IMP_atom.Bond_SALT
1457  PEPTIDE = _IMP_atom.Bond_PEPTIDE
1458  AMIDE = _IMP_atom.Bond_AMIDE
1459  AROMATIC = _IMP_atom.Bond_AROMATIC
1460 
1461  def get_bonded(self, i):
1462  """get_bonded(Bond self, unsigned int i) -> Bonded"""
1463  return _IMP_atom.Bond_get_bonded(self, i)
1464 
1465 
1466  def get_type(self):
1467  """get_type(Bond self) -> IMP::Int"""
1468  return _IMP_atom.Bond_get_type(self)
1469 
1470 
1471  def set_type(self, t):
1472  """set_type(Bond self, IMP::Int t)"""
1473  return _IMP_atom.Bond_set_type(self, t)
1474 
1475 
1476  def get_order(self):
1477  """get_order(Bond self) -> IMP::Int"""
1478  return _IMP_atom.Bond_get_order(self)
1479 
1480 
1481  def set_order(self, t):
1482  """set_order(Bond self, IMP::Int t)"""
1483  return _IMP_atom.Bond_set_order(self, t)
1484 
1485 
1486  def get_length(self):
1487  """get_length(Bond self) -> IMP::Float"""
1488  return _IMP_atom.Bond_get_length(self)
1489 
1490 
1491  def set_length(self, t):
1492  """set_length(Bond self, IMP::Float t)"""
1493  return _IMP_atom.Bond_set_length(self, t)
1494 
1495 
1496  def get_stiffness(self):
1497  """get_stiffness(Bond self) -> IMP::Float"""
1498  return _IMP_atom.Bond_get_stiffness(self)
1499 
1500 
1501  def set_stiffness(self, t):
1502  """set_stiffness(Bond self, IMP::Float t)"""
1503  return _IMP_atom.Bond_set_stiffness(self, t)
1504 
1505 
1506  def get_length_key():
1507  """get_length_key() -> FloatKey"""
1508  return _IMP_atom.Bond_get_length_key()
1509 
1510  get_length_key = staticmethod(get_length_key)
1511 
1512  def add_attribute(self, *args):
1513  """
1514  add_attribute(Bond self, FloatKey k, IMP::Float v, bool opt)
1515  add_attribute(Bond self, FloatKey a0, IMP::Float a1)
1516  add_attribute(Bond self, IntKey a0, IMP::Int a1)
1517  add_attribute(Bond self, FloatsKey a0, IMP::Floats a1)
1518  add_attribute(Bond self, IntsKey a0, IMP::Ints a1)
1519  add_attribute(Bond self, StringKey a0, IMP::String a1)
1520  add_attribute(Bond self, ParticleIndexKey a0, Particle a1)
1521  add_attribute(Bond self, ObjectKey a0, Object a1)
1522  """
1523  return _IMP_atom.Bond_add_attribute(self, *args)
1524 
1525 
1526  def get_value(self, *args):
1527  """
1528  get_value(Bond self, FloatKey a0) -> IMP::Float
1529  get_value(Bond self, IntKey a0) -> IMP::Int
1530  get_value(Bond self, FloatsKey a0) -> IMP::Floats
1531  get_value(Bond self, IntsKey a0) -> IMP::Ints
1532  get_value(Bond self, StringKey a0) -> IMP::String
1533  get_value(Bond self, ParticleIndexKey a0) -> Particle
1534  get_value(Bond self, ObjectKey a0) -> Object
1535  """
1536  return _IMP_atom.Bond_get_value(self, *args)
1537 
1538 
1539  def set_value(self, *args):
1540  """
1541  set_value(Bond self, FloatKey a0, IMP::Float a1)
1542  set_value(Bond self, IntKey a0, IMP::Int a1)
1543  set_value(Bond self, FloatsKey a0, IMP::Floats a1)
1544  set_value(Bond self, IntsKey a0, IMP::Ints a1)
1545  set_value(Bond self, StringKey a0, IMP::String a1)
1546  set_value(Bond self, ParticleIndexKey a0, Particle a1)
1547  set_value(Bond self, ObjectKey a0, Object a1)
1548  """
1549  return _IMP_atom.Bond_set_value(self, *args)
1550 
1551 
1552  def remove_attribute(self, *args):
1553  """
1554  remove_attribute(Bond self, FloatKey a0)
1555  remove_attribute(Bond self, IntKey a0)
1556  remove_attribute(Bond self, FloatsKey a0)
1557  remove_attribute(Bond self, IntsKey a0)
1558  remove_attribute(Bond self, StringKey a0)
1559  remove_attribute(Bond self, ParticleIndexKey a0)
1560  remove_attribute(Bond self, ObjectKey a0)
1561  """
1562  return _IMP_atom.Bond_remove_attribute(self, *args)
1563 
1564 
1565  def has_attribute(self, *args):
1566  """
1567  has_attribute(Bond self, FloatKey a0) -> bool
1568  has_attribute(Bond self, IntKey a0) -> bool
1569  has_attribute(Bond self, FloatsKey a0) -> bool
1570  has_attribute(Bond self, IntsKey a0) -> bool
1571  has_attribute(Bond self, StringKey a0) -> bool
1572  has_attribute(Bond self, ParticleIndexKey a0) -> bool
1573  has_attribute(Bond self, ObjectKey a0) -> bool
1574  """
1575  return _IMP_atom.Bond_has_attribute(self, *args)
1576 
1577 
1578  def get_derivative(self, a0):
1579  """get_derivative(Bond self, FloatKey a0) -> double"""
1580  return _IMP_atom.Bond_get_derivative(self, a0)
1581 
1582 
1583  def get_name(self):
1584  """get_name(Bond self) -> std::string"""
1585  return _IMP_atom.Bond_get_name(self)
1586 
1587 
1588  def clear_caches(self):
1589  """clear_caches(Bond self)"""
1590  return _IMP_atom.Bond_clear_caches(self)
1591 
1592 
1593  def set_name(self, a0):
1594  """set_name(Bond self, std::string a0)"""
1595  return _IMP_atom.Bond_set_name(self, a0)
1596 
1597 
1598  def set_check_level(self, a0):
1599  """set_check_level(Bond self, IMP::CheckLevel a0)"""
1600  return _IMP_atom.Bond_set_check_level(self, a0)
1601 
1602 
1603  def add_to_derivative(self, a0, a1, a2):
1604  """add_to_derivative(Bond self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1605  return _IMP_atom.Bond_add_to_derivative(self, a0, a1, a2)
1606 
1607 
1608  def set_is_optimized(self, a0, a1):
1609  """set_is_optimized(Bond self, FloatKey a0, bool a1)"""
1610  return _IMP_atom.Bond_set_is_optimized(self, a0, a1)
1611 
1612 
1613  def get_is_optimized(self, a0):
1614  """get_is_optimized(Bond self, FloatKey a0) -> bool"""
1615  return _IMP_atom.Bond_get_is_optimized(self, a0)
1616 
1617 
1618  def get_check_level(self):
1619  """get_check_level(Bond self) -> IMP::CheckLevel"""
1620  return _IMP_atom.Bond_get_check_level(self)
1621 
1622 
1623  def __eq__(self, *args):
1624  """
1625  __eq__(Bond self, Bond o) -> bool
1626  __eq__(Bond self, Particle d) -> bool
1627  """
1628  return _IMP_atom.Bond___eq__(self, *args)
1629 
1630 
1631  def __ne__(self, *args):
1632  """
1633  __ne__(Bond self, Bond o) -> bool
1634  __ne__(Bond self, Particle d) -> bool
1635  """
1636  return _IMP_atom.Bond___ne__(self, *args)
1637 
1638 
1639  def __le__(self, *args):
1640  """
1641  __le__(Bond self, Bond o) -> bool
1642  __le__(Bond self, Particle d) -> bool
1643  """
1644  return _IMP_atom.Bond___le__(self, *args)
1645 
1646 
1647  def __lt__(self, *args):
1648  """
1649  __lt__(Bond self, Bond o) -> bool
1650  __lt__(Bond self, Particle d) -> bool
1651  """
1652  return _IMP_atom.Bond___lt__(self, *args)
1653 
1654 
1655  def __ge__(self, *args):
1656  """
1657  __ge__(Bond self, Bond o) -> bool
1658  __ge__(Bond self, Particle d) -> bool
1659  """
1660  return _IMP_atom.Bond___ge__(self, *args)
1661 
1662 
1663  def __gt__(self, *args):
1664  """
1665  __gt__(Bond self, Bond o) -> bool
1666  __gt__(Bond self, Particle d) -> bool
1667  """
1668  return _IMP_atom.Bond___gt__(self, *args)
1669 
1670 
1671  def __hash__(self):
1672  """__hash__(Bond self) -> std::size_t"""
1673  return _IMP_atom.Bond___hash__(self)
1674 
1675 
1676  def __str__(self):
1677  """__str__(Bond self) -> std::string"""
1678  return _IMP_atom.Bond___str__(self)
1679 
1680 
1681  def __repr__(self):
1682  """__repr__(Bond self) -> std::string"""
1683  return _IMP_atom.Bond___repr__(self)
1684 
1685  __swig_destroy__ = _IMP_atom.delete_Bond
1686  __del__ = lambda self: None
1687 Bond_swigregister = _IMP_atom.Bond_swigregister
1688 Bond_swigregister(Bond)
1689 
1690 def Bond_get_is_setup(*args):
1691  """
1692  get_is_setup(_ParticleAdaptor p) -> bool
1693  Bond_get_is_setup(Model m, ParticleIndex pi) -> bool
1694  """
1695  return _IMP_atom.Bond_get_is_setup(*args)
1696 
1697 def Bond_get_length_key():
1698  """Bond_get_length_key() -> FloatKey"""
1699  return _IMP_atom.Bond_get_length_key()
1700 
1701 class Bonded(IMP.Decorator):
1702  """Proxy of C++ IMP::atom::Bonded class"""
1703  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1704 
1705  def __init__(self, *args):
1706  """
1707  __init__(IMP::atom::Bonded self) -> Bonded
1708  __init__(IMP::atom::Bonded self, Model m, ParticleIndex id) -> Bonded
1709  __init__(IMP::atom::Bonded self, _ParticleAdaptor d) -> Bonded
1710  """
1711  this = _IMP_atom.new_Bonded(*args)
1712  try:
1713  self.this.append(this)
1714  except:
1715  self.this = this
1716 
1717  def show(self, *args):
1718  """
1719  show(Bonded self, _ostream out)
1720  show(Bonded self)
1721  """
1722  return _IMP_atom.Bonded_show(self, *args)
1723 
1724 
1725  def setup_particle(*args):
1726  """
1727  setup_particle(Model m, ParticleIndex pi) -> Bonded
1728  setup_particle(_ParticleAdaptor decorator) -> Bonded
1729  """
1730  return _IMP_atom.Bonded_setup_particle(*args)
1731 
1732  setup_particle = staticmethod(setup_particle)
1733 
1734  def get_is_setup(*args):
1735  """
1736  get_is_setup(_ParticleAdaptor p) -> bool
1737  get_is_setup(Model m, ParticleIndex pi) -> bool
1738  """
1739  return _IMP_atom.Bonded_get_is_setup(*args)
1740 
1741  get_is_setup = staticmethod(get_is_setup)
1742 
1743  def get_number_of_bonds(self):
1744  """get_number_of_bonds(Bonded self) -> unsigned int"""
1745  return _IMP_atom.Bonded_get_number_of_bonds(self)
1746 
1747 
1748  def get_bond_indexes(self):
1749  """get_bond_indexes(Bonded self) -> IMP::ParticleIndexes"""
1750  return _IMP_atom.Bonded_get_bond_indexes(self)
1751 
1752 
1753  def get_bond(self, i):
1754  """get_bond(Bonded self, unsigned int i) -> Bond"""
1755  return _IMP_atom.Bonded_get_bond(self, i)
1756 
1757 
1758  def get_bonded(self, i):
1759  """get_bonded(Bonded self, unsigned int i) -> Bonded"""
1760  return _IMP_atom.Bonded_get_bonded(self, i)
1761 
1762 
1763  def add_attribute(self, *args):
1764  """
1765  add_attribute(Bonded self, FloatKey k, IMP::Float v, bool opt)
1766  add_attribute(Bonded self, FloatKey a0, IMP::Float a1)
1767  add_attribute(Bonded self, IntKey a0, IMP::Int a1)
1768  add_attribute(Bonded self, FloatsKey a0, IMP::Floats a1)
1769  add_attribute(Bonded self, IntsKey a0, IMP::Ints a1)
1770  add_attribute(Bonded self, StringKey a0, IMP::String a1)
1771  add_attribute(Bonded self, ParticleIndexKey a0, Particle a1)
1772  add_attribute(Bonded self, ObjectKey a0, Object a1)
1773  """
1774  return _IMP_atom.Bonded_add_attribute(self, *args)
1775 
1776 
1777  def get_value(self, *args):
1778  """
1779  get_value(Bonded self, FloatKey a0) -> IMP::Float
1780  get_value(Bonded self, IntKey a0) -> IMP::Int
1781  get_value(Bonded self, FloatsKey a0) -> IMP::Floats
1782  get_value(Bonded self, IntsKey a0) -> IMP::Ints
1783  get_value(Bonded self, StringKey a0) -> IMP::String
1784  get_value(Bonded self, ParticleIndexKey a0) -> Particle
1785  get_value(Bonded self, ObjectKey a0) -> Object
1786  """
1787  return _IMP_atom.Bonded_get_value(self, *args)
1788 
1789 
1790  def set_value(self, *args):
1791  """
1792  set_value(Bonded self, FloatKey a0, IMP::Float a1)
1793  set_value(Bonded self, IntKey a0, IMP::Int a1)
1794  set_value(Bonded self, FloatsKey a0, IMP::Floats a1)
1795  set_value(Bonded self, IntsKey a0, IMP::Ints a1)
1796  set_value(Bonded self, StringKey a0, IMP::String a1)
1797  set_value(Bonded self, ParticleIndexKey a0, Particle a1)
1798  set_value(Bonded self, ObjectKey a0, Object a1)
1799  """
1800  return _IMP_atom.Bonded_set_value(self, *args)
1801 
1802 
1803  def remove_attribute(self, *args):
1804  """
1805  remove_attribute(Bonded self, FloatKey a0)
1806  remove_attribute(Bonded self, IntKey a0)
1807  remove_attribute(Bonded self, FloatsKey a0)
1808  remove_attribute(Bonded self, IntsKey a0)
1809  remove_attribute(Bonded self, StringKey a0)
1810  remove_attribute(Bonded self, ParticleIndexKey a0)
1811  remove_attribute(Bonded self, ObjectKey a0)
1812  """
1813  return _IMP_atom.Bonded_remove_attribute(self, *args)
1814 
1815 
1816  def has_attribute(self, *args):
1817  """
1818  has_attribute(Bonded self, FloatKey a0) -> bool
1819  has_attribute(Bonded self, IntKey a0) -> bool
1820  has_attribute(Bonded self, FloatsKey a0) -> bool
1821  has_attribute(Bonded self, IntsKey a0) -> bool
1822  has_attribute(Bonded self, StringKey a0) -> bool
1823  has_attribute(Bonded self, ParticleIndexKey a0) -> bool
1824  has_attribute(Bonded self, ObjectKey a0) -> bool
1825  """
1826  return _IMP_atom.Bonded_has_attribute(self, *args)
1827 
1828 
1829  def get_derivative(self, a0):
1830  """get_derivative(Bonded self, FloatKey a0) -> double"""
1831  return _IMP_atom.Bonded_get_derivative(self, a0)
1832 
1833 
1834  def get_name(self):
1835  """get_name(Bonded self) -> std::string"""
1836  return _IMP_atom.Bonded_get_name(self)
1837 
1838 
1839  def clear_caches(self):
1840  """clear_caches(Bonded self)"""
1841  return _IMP_atom.Bonded_clear_caches(self)
1842 
1843 
1844  def set_name(self, a0):
1845  """set_name(Bonded self, std::string a0)"""
1846  return _IMP_atom.Bonded_set_name(self, a0)
1847 
1848 
1849  def set_check_level(self, a0):
1850  """set_check_level(Bonded self, IMP::CheckLevel a0)"""
1851  return _IMP_atom.Bonded_set_check_level(self, a0)
1852 
1853 
1854  def add_to_derivative(self, a0, a1, a2):
1855  """add_to_derivative(Bonded self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
1856  return _IMP_atom.Bonded_add_to_derivative(self, a0, a1, a2)
1857 
1858 
1859  def set_is_optimized(self, a0, a1):
1860  """set_is_optimized(Bonded self, FloatKey a0, bool a1)"""
1861  return _IMP_atom.Bonded_set_is_optimized(self, a0, a1)
1862 
1863 
1864  def get_is_optimized(self, a0):
1865  """get_is_optimized(Bonded self, FloatKey a0) -> bool"""
1866  return _IMP_atom.Bonded_get_is_optimized(self, a0)
1867 
1868 
1869  def get_check_level(self):
1870  """get_check_level(Bonded self) -> IMP::CheckLevel"""
1871  return _IMP_atom.Bonded_get_check_level(self)
1872 
1873 
1874  def __eq__(self, *args):
1875  """
1876  __eq__(Bonded self, Bonded o) -> bool
1877  __eq__(Bonded self, Particle d) -> bool
1878  """
1879  return _IMP_atom.Bonded___eq__(self, *args)
1880 
1881 
1882  def __ne__(self, *args):
1883  """
1884  __ne__(Bonded self, Bonded o) -> bool
1885  __ne__(Bonded self, Particle d) -> bool
1886  """
1887  return _IMP_atom.Bonded___ne__(self, *args)
1888 
1889 
1890  def __le__(self, *args):
1891  """
1892  __le__(Bonded self, Bonded o) -> bool
1893  __le__(Bonded self, Particle d) -> bool
1894  """
1895  return _IMP_atom.Bonded___le__(self, *args)
1896 
1897 
1898  def __lt__(self, *args):
1899  """
1900  __lt__(Bonded self, Bonded o) -> bool
1901  __lt__(Bonded self, Particle d) -> bool
1902  """
1903  return _IMP_atom.Bonded___lt__(self, *args)
1904 
1905 
1906  def __ge__(self, *args):
1907  """
1908  __ge__(Bonded self, Bonded o) -> bool
1909  __ge__(Bonded self, Particle d) -> bool
1910  """
1911  return _IMP_atom.Bonded___ge__(self, *args)
1912 
1913 
1914  def __gt__(self, *args):
1915  """
1916  __gt__(Bonded self, Bonded o) -> bool
1917  __gt__(Bonded self, Particle d) -> bool
1918  """
1919  return _IMP_atom.Bonded___gt__(self, *args)
1920 
1921 
1922  def __hash__(self):
1923  """__hash__(Bonded self) -> std::size_t"""
1924  return _IMP_atom.Bonded___hash__(self)
1925 
1926 
1927  def __str__(self):
1928  """__str__(Bonded self) -> std::string"""
1929  return _IMP_atom.Bonded___str__(self)
1930 
1931 
1932  def __repr__(self):
1933  """__repr__(Bonded self) -> std::string"""
1934  return _IMP_atom.Bonded___repr__(self)
1935 
1936  __swig_destroy__ = _IMP_atom.delete_Bonded
1937  __del__ = lambda self: None
1938 Bonded_swigregister = _IMP_atom.Bonded_swigregister
1939 Bonded_swigregister(Bonded)
1940 
1941 def Bonded_setup_particle(*args):
1942  """
1943  setup_particle(Model m, ParticleIndex pi) -> Bonded
1944  Bonded_setup_particle(_ParticleAdaptor decorator) -> Bonded
1945  """
1946  return _IMP_atom.Bonded_setup_particle(*args)
1947 
1948 def Bonded_get_is_setup(*args):
1949  """
1950  get_is_setup(_ParticleAdaptor p) -> bool
1951  Bonded_get_is_setup(Model m, ParticleIndex pi) -> bool
1952  """
1953  return _IMP_atom.Bonded_get_is_setup(*args)
1954 
1955 
1956 def create_custom_bond(a, b, length, stiffness=-1):
1957  """
1958  create_custom_bond(Bonded a, Bonded b, IMP::Float length, IMP::Float stiffness=-1) -> Bond
1959  create_custom_bond(Bonded a, Bonded b, IMP::Float length) -> Bond
1960  """
1961  return _IMP_atom.create_custom_bond(a, b, length, stiffness)
1962 
1963 def create_bond(*args):
1964  """
1965  create_bond(Bonded a, Bonded b, IMP::Int t) -> Bond
1966  create_bond(Bonded a, Bonded b, Bond o) -> Bond
1967  """
1968  return _IMP_atom.create_bond(*args)
1969 
1970 def destroy_bond(b):
1971  """destroy_bond(Bond b)"""
1972  return _IMP_atom.destroy_bond(b)
1973 
1974 def get_bond(a, b):
1975  """get_bond(Bonded a, Bonded b) -> Bond"""
1976  return _IMP_atom.get_bond(a, b)
1977 class BondGeometry(IMP.display.SingletonGeometry):
1978  """Proxy of C++ IMP::atom::BondGeometry class"""
1979  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
1980 
1981  def __init__(self, *args):
1982  """
1983  __init__(IMP::atom::BondGeometry self, Particle p) -> BondGeometry
1984  __init__(IMP::atom::BondGeometry self, Bond d) -> BondGeometry
1985  """
1986  this = _IMP_atom.new_BondGeometry(*args)
1987  try:
1988  self.this.append(this)
1989  except:
1990  self.this = this
1991 
1992  def get_version_info(self):
1993  """get_version_info(BondGeometry self) -> VersionInfo"""
1994  return _IMP_atom.BondGeometry_get_version_info(self)
1995 
1996 
1997  def __str__(self):
1998  """__str__(BondGeometry self) -> std::string"""
1999  return _IMP_atom.BondGeometry___str__(self)
2000 
2001 
2002  def __repr__(self):
2003  """__repr__(BondGeometry self) -> std::string"""
2004  return _IMP_atom.BondGeometry___repr__(self)
2005 
2006 
2007  @staticmethod
2008  def get_from(o):
2009  return _object_cast_to_BondGeometry(o)
2010 
2011 BondGeometry_swigregister = _IMP_atom.BondGeometry_swigregister
2012 BondGeometry_swigregister(BondGeometry)
2013 
2014 class BondsGeometry(IMP.display.SingletonsGeometry):
2015  """Proxy of C++ IMP::atom::BondsGeometry class"""
2016  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2017 
2018  def __init__(self, sc):
2019  """__init__(IMP::atom::BondsGeometry self, SingletonContainer sc) -> BondsGeometry"""
2020  this = _IMP_atom.new_BondsGeometry(sc)
2021  try:
2022  self.this.append(this)
2023  except:
2024  self.this = this
2025 
2026  def get_version_info(self):
2027  """get_version_info(BondsGeometry self) -> VersionInfo"""
2028  return _IMP_atom.BondsGeometry_get_version_info(self)
2029 
2030 
2031  def __str__(self):
2032  """__str__(BondsGeometry self) -> std::string"""
2033  return _IMP_atom.BondsGeometry___str__(self)
2034 
2035 
2036  def __repr__(self):
2037  """__repr__(BondsGeometry self) -> std::string"""
2038  return _IMP_atom.BondsGeometry___repr__(self)
2039 
2040 
2041  @staticmethod
2042  def get_from(o):
2043  return _object_cast_to_BondsGeometry(o)
2044 
2045 BondsGeometry_swigregister = _IMP_atom.BondsGeometry_swigregister
2046 BondsGeometry_swigregister(BondsGeometry)
2047 
2048 class Hierarchy(IMP.core.Hierarchy):
2049  """Proxy of C++ IMP::atom::Hierarchy class"""
2050  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2051 
2052  def __init__(self, *args):
2053  """
2054  __init__(IMP::atom::Hierarchy self, Model m, ParticleIndex pi) -> Hierarchy
2055  __init__(IMP::atom::Hierarchy self, _ParticleAdaptor pi) -> Hierarchy
2056  __init__(IMP::atom::Hierarchy self) -> Hierarchy
2057  __init__(IMP::atom::Hierarchy self, Hierarchy h) -> Hierarchy
2058  """
2059  this = _IMP_atom.new_Hierarchy(*args)
2060  try:
2061  self.this.append(this)
2062  except:
2063  self.this = this
2064 
2065  def setup_particle(*args):
2066  """
2067  setup_particle(Particle p, _ParticleIndexesAdaptor children) -> Hierarchy
2068  setup_particle(Particle p) -> Hierarchy
2069  setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor children) -> Hierarchy
2070  setup_particle(Model m, ParticleIndex pi) -> Hierarchy
2071  """
2072  return _IMP_atom.Hierarchy_setup_particle(*args)
2073 
2074  setup_particle = staticmethod(setup_particle)
2075 
2076  def get_is_setup(*args):
2077  """
2078  get_is_setup(Particle p) -> bool
2079  get_is_setup(Model m, ParticleIndex p) -> bool
2080  """
2081  return _IMP_atom.Hierarchy_get_is_setup(*args)
2082 
2083  get_is_setup = staticmethod(get_is_setup)
2084 
2085  def get_is_valid(self, print_info=False):
2086  """
2087  get_is_valid(Hierarchy self, bool print_info=False) -> bool
2088  get_is_valid(Hierarchy self) -> bool
2089  """
2090  return _IMP_atom.Hierarchy_get_is_valid(self, print_info)
2091 
2092 
2093  def add_child(self, o):
2094  """add_child(Hierarchy self, Hierarchy o)"""
2095  return _IMP_atom.Hierarchy_add_child(self, o)
2096 
2097 
2098  def get_child(self, i):
2099  """get_child(Hierarchy self, unsigned int i) -> Hierarchy"""
2100  return _IMP_atom.Hierarchy_get_child(self, i)
2101 
2102 
2103  def get_children(self):
2104  """get_children(Hierarchy self) -> IMP::atom::Hierarchies"""
2105  return _IMP_atom.Hierarchy_get_children(self)
2106 
2107 
2108  def get_parent(self):
2109  """get_parent(Hierarchy self) -> Hierarchy"""
2110  return _IMP_atom.Hierarchy_get_parent(self)
2111 
2112 
2113  def get_traits():
2114  """get_traits() -> HierarchyTraits"""
2115  return _IMP_atom.Hierarchy_get_traits()
2116 
2117  get_traits = staticmethod(get_traits)
2118 
2119  def show(self, *args):
2120  """
2121  show(Hierarchy self, _ostream out, std::string delimiter)
2122  show(Hierarchy self, _ostream out)
2123  show(Hierarchy self)
2124  """
2125  return _IMP_atom.Hierarchy_show(self, *args)
2126 
2127 
2128  def add_attribute(self, *args):
2129  """
2130  add_attribute(Hierarchy self, FloatKey k, IMP::Float v, bool opt)
2131  add_attribute(Hierarchy self, FloatKey a0, IMP::Float a1)
2132  add_attribute(Hierarchy self, IntKey a0, IMP::Int a1)
2133  add_attribute(Hierarchy self, FloatsKey a0, IMP::Floats a1)
2134  add_attribute(Hierarchy self, IntsKey a0, IMP::Ints a1)
2135  add_attribute(Hierarchy self, StringKey a0, IMP::String a1)
2136  add_attribute(Hierarchy self, ParticleIndexKey a0, Particle a1)
2137  add_attribute(Hierarchy self, ObjectKey a0, Object a1)
2138  """
2139  return _IMP_atom.Hierarchy_add_attribute(self, *args)
2140 
2141 
2142  def get_value(self, *args):
2143  """
2144  get_value(Hierarchy self, FloatKey a0) -> IMP::Float
2145  get_value(Hierarchy self, IntKey a0) -> IMP::Int
2146  get_value(Hierarchy self, FloatsKey a0) -> IMP::Floats
2147  get_value(Hierarchy self, IntsKey a0) -> IMP::Ints
2148  get_value(Hierarchy self, StringKey a0) -> IMP::String
2149  get_value(Hierarchy self, ParticleIndexKey a0) -> Particle
2150  get_value(Hierarchy self, ObjectKey a0) -> Object
2151  """
2152  return _IMP_atom.Hierarchy_get_value(self, *args)
2153 
2154 
2155  def set_value(self, *args):
2156  """
2157  set_value(Hierarchy self, FloatKey a0, IMP::Float a1)
2158  set_value(Hierarchy self, IntKey a0, IMP::Int a1)
2159  set_value(Hierarchy self, FloatsKey a0, IMP::Floats a1)
2160  set_value(Hierarchy self, IntsKey a0, IMP::Ints a1)
2161  set_value(Hierarchy self, StringKey a0, IMP::String a1)
2162  set_value(Hierarchy self, ParticleIndexKey a0, Particle a1)
2163  set_value(Hierarchy self, ObjectKey a0, Object a1)
2164  """
2165  return _IMP_atom.Hierarchy_set_value(self, *args)
2166 
2167 
2168  def remove_attribute(self, *args):
2169  """
2170  remove_attribute(Hierarchy self, FloatKey a0)
2171  remove_attribute(Hierarchy self, IntKey a0)
2172  remove_attribute(Hierarchy self, FloatsKey a0)
2173  remove_attribute(Hierarchy self, IntsKey a0)
2174  remove_attribute(Hierarchy self, StringKey a0)
2175  remove_attribute(Hierarchy self, ParticleIndexKey a0)
2176  remove_attribute(Hierarchy self, ObjectKey a0)
2177  """
2178  return _IMP_atom.Hierarchy_remove_attribute(self, *args)
2179 
2180 
2181  def has_attribute(self, *args):
2182  """
2183  has_attribute(Hierarchy self, FloatKey a0) -> bool
2184  has_attribute(Hierarchy self, IntKey a0) -> bool
2185  has_attribute(Hierarchy self, FloatsKey a0) -> bool
2186  has_attribute(Hierarchy self, IntsKey a0) -> bool
2187  has_attribute(Hierarchy self, StringKey a0) -> bool
2188  has_attribute(Hierarchy self, ParticleIndexKey a0) -> bool
2189  has_attribute(Hierarchy self, ObjectKey a0) -> bool
2190  """
2191  return _IMP_atom.Hierarchy_has_attribute(self, *args)
2192 
2193 
2194  def get_derivative(self, a0):
2195  """get_derivative(Hierarchy self, FloatKey a0) -> double"""
2196  return _IMP_atom.Hierarchy_get_derivative(self, a0)
2197 
2198 
2199  def get_name(self):
2200  """get_name(Hierarchy self) -> std::string"""
2201  return _IMP_atom.Hierarchy_get_name(self)
2202 
2203 
2204  def clear_caches(self):
2205  """clear_caches(Hierarchy self)"""
2206  return _IMP_atom.Hierarchy_clear_caches(self)
2207 
2208 
2209  def set_name(self, a0):
2210  """set_name(Hierarchy self, std::string a0)"""
2211  return _IMP_atom.Hierarchy_set_name(self, a0)
2212 
2213 
2214  def set_check_level(self, a0):
2215  """set_check_level(Hierarchy self, IMP::CheckLevel a0)"""
2216  return _IMP_atom.Hierarchy_set_check_level(self, a0)
2217 
2218 
2219  def add_to_derivative(self, a0, a1, a2):
2220  """add_to_derivative(Hierarchy self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2221  return _IMP_atom.Hierarchy_add_to_derivative(self, a0, a1, a2)
2222 
2223 
2224  def set_is_optimized(self, a0, a1):
2225  """set_is_optimized(Hierarchy self, FloatKey a0, bool a1)"""
2226  return _IMP_atom.Hierarchy_set_is_optimized(self, a0, a1)
2227 
2228 
2229  def get_is_optimized(self, a0):
2230  """get_is_optimized(Hierarchy self, FloatKey a0) -> bool"""
2231  return _IMP_atom.Hierarchy_get_is_optimized(self, a0)
2232 
2233 
2234  def get_check_level(self):
2235  """get_check_level(Hierarchy self) -> IMP::CheckLevel"""
2236  return _IMP_atom.Hierarchy_get_check_level(self)
2237 
2238 
2239  def __eq__(self, *args):
2240  """
2241  __eq__(Hierarchy self, Hierarchy o) -> bool
2242  __eq__(Hierarchy self, Particle d) -> bool
2243  """
2244  return _IMP_atom.Hierarchy___eq__(self, *args)
2245 
2246 
2247  def __ne__(self, *args):
2248  """
2249  __ne__(Hierarchy self, Hierarchy o) -> bool
2250  __ne__(Hierarchy self, Particle d) -> bool
2251  """
2252  return _IMP_atom.Hierarchy___ne__(self, *args)
2253 
2254 
2255  def __le__(self, *args):
2256  """
2257  __le__(Hierarchy self, Hierarchy o) -> bool
2258  __le__(Hierarchy self, Particle d) -> bool
2259  """
2260  return _IMP_atom.Hierarchy___le__(self, *args)
2261 
2262 
2263  def __lt__(self, *args):
2264  """
2265  __lt__(Hierarchy self, Hierarchy o) -> bool
2266  __lt__(Hierarchy self, Particle d) -> bool
2267  """
2268  return _IMP_atom.Hierarchy___lt__(self, *args)
2269 
2270 
2271  def __ge__(self, *args):
2272  """
2273  __ge__(Hierarchy self, Hierarchy o) -> bool
2274  __ge__(Hierarchy self, Particle d) -> bool
2275  """
2276  return _IMP_atom.Hierarchy___ge__(self, *args)
2277 
2278 
2279  def __gt__(self, *args):
2280  """
2281  __gt__(Hierarchy self, Hierarchy o) -> bool
2282  __gt__(Hierarchy self, Particle d) -> bool
2283  """
2284  return _IMP_atom.Hierarchy___gt__(self, *args)
2285 
2286 
2287  def __hash__(self):
2288  """__hash__(Hierarchy self) -> std::size_t"""
2289  return _IMP_atom.Hierarchy___hash__(self)
2290 
2291 
2292  def __str__(self):
2293  """__str__(Hierarchy self) -> std::string"""
2294  return _IMP_atom.Hierarchy___str__(self)
2295 
2296 
2297  def __repr__(self):
2298  """__repr__(Hierarchy self) -> std::string"""
2299  return _IMP_atom.Hierarchy___repr__(self)
2300 
2301  __swig_destroy__ = _IMP_atom.delete_Hierarchy
2302  __del__ = lambda self: None
2303 Hierarchy_swigregister = _IMP_atom.Hierarchy_swigregister
2304 Hierarchy_swigregister(Hierarchy)
2305 
2306 def Hierarchy_setup_particle(*args):
2307  """
2308  setup_particle(Particle p, _ParticleIndexesAdaptor children) -> Hierarchy
2309  setup_particle(Particle p) -> Hierarchy
2310  setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor children) -> Hierarchy
2311  Hierarchy_setup_particle(Model m, ParticleIndex pi) -> Hierarchy
2312  """
2313  return _IMP_atom.Hierarchy_setup_particle(*args)
2314 
2315 def Hierarchy_get_is_setup(*args):
2316  """
2317  get_is_setup(Particle p) -> bool
2318  Hierarchy_get_is_setup(Model m, ParticleIndex p) -> bool
2319  """
2320  return _IMP_atom.Hierarchy_get_is_setup(*args)
2321 
2322 def Hierarchy_get_traits():
2323  """Hierarchy_get_traits() -> HierarchyTraits"""
2324  return _IMP_atom.Hierarchy_get_traits()
2325 
2326 
2327 _IMP_atom.ATOM_TYPE_swigconstant(_IMP_atom)
2328 ATOM_TYPE = _IMP_atom.ATOM_TYPE
2329 
2330 _IMP_atom.RESIDUE_TYPE_swigconstant(_IMP_atom)
2331 RESIDUE_TYPE = _IMP_atom.RESIDUE_TYPE
2332 
2333 _IMP_atom.CHAIN_TYPE_swigconstant(_IMP_atom)
2334 CHAIN_TYPE = _IMP_atom.CHAIN_TYPE
2335 
2336 _IMP_atom.MOLECULE_TYPE_swigconstant(_IMP_atom)
2337 MOLECULE_TYPE = _IMP_atom.MOLECULE_TYPE
2338 
2339 _IMP_atom.DOMAIN_TYPE_swigconstant(_IMP_atom)
2340 DOMAIN_TYPE = _IMP_atom.DOMAIN_TYPE
2341 
2342 _IMP_atom.FRAGMENT_TYPE_swigconstant(_IMP_atom)
2343 FRAGMENT_TYPE = _IMP_atom.FRAGMENT_TYPE
2344 
2345 _IMP_atom.XYZ_TYPE_swigconstant(_IMP_atom)
2346 XYZ_TYPE = _IMP_atom.XYZ_TYPE
2347 
2348 _IMP_atom.XYZR_TYPE_swigconstant(_IMP_atom)
2349 XYZR_TYPE = _IMP_atom.XYZR_TYPE
2350 
2351 _IMP_atom.MASS_TYPE_swigconstant(_IMP_atom)
2352 MASS_TYPE = _IMP_atom.MASS_TYPE
2353 
2354 _IMP_atom.STATE_TYPE_swigconstant(_IMP_atom)
2355 STATE_TYPE = _IMP_atom.STATE_TYPE
2356 
2357 def get_by_type(mhd, t):
2358  """get_by_type(Hierarchy mhd, IMP::atom::GetByType t) -> IMP::atom::Hierarchies"""
2359  return _IMP_atom.get_by_type(mhd, t)
2360 
2361 def create_fragment(ps):
2362  """create_fragment(IMP::atom::Hierarchies const & ps) -> Hierarchy"""
2363  return _IMP_atom.create_fragment(ps)
2364 
2365 def get_internal_bonds(mhd):
2366  """get_internal_bonds(Hierarchy mhd) -> IMP::atom::Bonds"""
2367  return _IMP_atom.get_internal_bonds(mhd)
2368 
2369 def get_root(h):
2370  """get_root(Hierarchy h) -> Hierarchy"""
2371  return _IMP_atom.get_root(h)
2372 
2373 def show(*args):
2374  """
2375  show(Hierarchy h, _ostream out)
2376  show(Hierarchy h)
2377  """
2378  return _IMP_atom.show(*args)
2379 
2380 def create_rigid_body(*args):
2381  """
2382  create_rigid_body(IMP::atom::Hierarchies const & h, std::string name) -> RigidBody
2383  create_rigid_body(IMP::atom::Hierarchies const & h) -> RigidBody
2384  create_rigid_body(Hierarchy h) -> RigidBody
2385  """
2386  return _IMP_atom.create_rigid_body(*args)
2387 
2388 def create_compatible_rigid_body(h, reference):
2389  """create_compatible_rigid_body(Hierarchy h, Hierarchy reference) -> RigidBody"""
2390  return _IMP_atom.create_compatible_rigid_body(h, reference)
2391 
2392 def get_is_heterogen(h):
2393  """get_is_heterogen(Hierarchy h) -> bool"""
2394  return _IMP_atom.get_is_heterogen(h)
2395 
2396 def create_clone(d):
2397  """create_clone(Hierarchy d) -> Hierarchy"""
2398  return _IMP_atom.create_clone(d)
2399 
2400 def create_clone_one(d):
2401  """create_clone_one(Hierarchy d) -> Hierarchy"""
2402  return _IMP_atom.create_clone_one(d)
2403 
2404 def destroy(d):
2405  """destroy(Hierarchy d)"""
2406  return _IMP_atom.destroy(d)
2407 
2408 def get_bounding_box(h):
2409  """get_bounding_box(Hierarchy h) -> BoundingBox3D"""
2410  return _IMP_atom.get_bounding_box(h)
2411 
2412 def get_bounding_sphere(h):
2413  """get_bounding_sphere(Hierarchy h) -> Sphere3D"""
2414  return _IMP_atom.get_bounding_sphere(h)
2415 class Angle(IMP.Decorator):
2416  """Proxy of C++ IMP::atom::Angle class"""
2417  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2418 
2419  def __init__(self, *args):
2420  """
2421  __init__(IMP::atom::Angle self) -> Angle
2422  __init__(IMP::atom::Angle self, Model m, ParticleIndex id) -> Angle
2423  __init__(IMP::atom::Angle self, _ParticleAdaptor d) -> Angle
2424  """
2425  this = _IMP_atom.new_Angle(*args)
2426  try:
2427  self.this.append(this)
2428  except:
2429  self.this = this
2430 
2431  def show(self, *args):
2432  """
2433  show(Angle self, _ostream out)
2434  show(Angle self)
2435  """
2436  return _IMP_atom.Angle_show(self, *args)
2437 
2438 
2439  def setup_particle(*args):
2440  """
2441  setup_particle(Model m, ParticleIndex pi, XYZ a, XYZ b, XYZ c) -> Angle
2442  setup_particle(_ParticleAdaptor decorator, XYZ a, XYZ b, XYZ c) -> Angle
2443  """
2444  return _IMP_atom.Angle_setup_particle(*args)
2445 
2446  setup_particle = staticmethod(setup_particle)
2447 
2448  def get_is_setup(*args):
2449  """
2450  get_is_setup(_ParticleAdaptor p) -> bool
2451  get_is_setup(Model m, ParticleIndex pi) -> bool
2452  """
2453  return _IMP_atom.Angle_get_is_setup(*args)
2454 
2455  get_is_setup = staticmethod(get_is_setup)
2456 
2457  def get_particle(self, *args):
2458  """
2459  get_particle(Angle self) -> Particle
2460  get_particle(Angle self, unsigned int i) -> Particle
2461  """
2462  return _IMP_atom.Angle_get_particle(self, *args)
2463 
2464 
2465  def get_ideal(self):
2466  """get_ideal(Angle self) -> IMP::Float"""
2467  return _IMP_atom.Angle_get_ideal(self)
2468 
2469 
2470  def set_ideal(self, t):
2471  """set_ideal(Angle self, IMP::Float t)"""
2472  return _IMP_atom.Angle_set_ideal(self, t)
2473 
2474 
2475  def get_stiffness(self):
2476  """get_stiffness(Angle self) -> IMP::Float"""
2477  return _IMP_atom.Angle_get_stiffness(self)
2478 
2479 
2480  def set_stiffness(self, t):
2481  """set_stiffness(Angle self, IMP::Float t)"""
2482  return _IMP_atom.Angle_set_stiffness(self, t)
2483 
2484 
2485  def get_particle_key(i):
2486  """get_particle_key(unsigned int i) -> ParticleIndexKey"""
2487  return _IMP_atom.Angle_get_particle_key(i)
2488 
2489  get_particle_key = staticmethod(get_particle_key)
2490 
2491  def get_ideal_key():
2492  """get_ideal_key() -> FloatKey"""
2493  return _IMP_atom.Angle_get_ideal_key()
2494 
2495  get_ideal_key = staticmethod(get_ideal_key)
2496 
2497  def get_stiffness_key():
2498  """get_stiffness_key() -> FloatKey"""
2499  return _IMP_atom.Angle_get_stiffness_key()
2500 
2501  get_stiffness_key = staticmethod(get_stiffness_key)
2502 
2503  def add_attribute(self, *args):
2504  """
2505  add_attribute(Angle self, FloatKey k, IMP::Float v, bool opt)
2506  add_attribute(Angle self, FloatKey a0, IMP::Float a1)
2507  add_attribute(Angle self, IntKey a0, IMP::Int a1)
2508  add_attribute(Angle self, FloatsKey a0, IMP::Floats a1)
2509  add_attribute(Angle self, IntsKey a0, IMP::Ints a1)
2510  add_attribute(Angle self, StringKey a0, IMP::String a1)
2511  add_attribute(Angle self, ParticleIndexKey a0, Particle a1)
2512  add_attribute(Angle self, ObjectKey a0, Object a1)
2513  """
2514  return _IMP_atom.Angle_add_attribute(self, *args)
2515 
2516 
2517  def get_value(self, *args):
2518  """
2519  get_value(Angle self, FloatKey a0) -> IMP::Float
2520  get_value(Angle self, IntKey a0) -> IMP::Int
2521  get_value(Angle self, FloatsKey a0) -> IMP::Floats
2522  get_value(Angle self, IntsKey a0) -> IMP::Ints
2523  get_value(Angle self, StringKey a0) -> IMP::String
2524  get_value(Angle self, ParticleIndexKey a0) -> Particle
2525  get_value(Angle self, ObjectKey a0) -> Object
2526  """
2527  return _IMP_atom.Angle_get_value(self, *args)
2528 
2529 
2530  def set_value(self, *args):
2531  """
2532  set_value(Angle self, FloatKey a0, IMP::Float a1)
2533  set_value(Angle self, IntKey a0, IMP::Int a1)
2534  set_value(Angle self, FloatsKey a0, IMP::Floats a1)
2535  set_value(Angle self, IntsKey a0, IMP::Ints a1)
2536  set_value(Angle self, StringKey a0, IMP::String a1)
2537  set_value(Angle self, ParticleIndexKey a0, Particle a1)
2538  set_value(Angle self, ObjectKey a0, Object a1)
2539  """
2540  return _IMP_atom.Angle_set_value(self, *args)
2541 
2542 
2543  def remove_attribute(self, *args):
2544  """
2545  remove_attribute(Angle self, FloatKey a0)
2546  remove_attribute(Angle self, IntKey a0)
2547  remove_attribute(Angle self, FloatsKey a0)
2548  remove_attribute(Angle self, IntsKey a0)
2549  remove_attribute(Angle self, StringKey a0)
2550  remove_attribute(Angle self, ParticleIndexKey a0)
2551  remove_attribute(Angle self, ObjectKey a0)
2552  """
2553  return _IMP_atom.Angle_remove_attribute(self, *args)
2554 
2555 
2556  def has_attribute(self, *args):
2557  """
2558  has_attribute(Angle self, FloatKey a0) -> bool
2559  has_attribute(Angle self, IntKey a0) -> bool
2560  has_attribute(Angle self, FloatsKey a0) -> bool
2561  has_attribute(Angle self, IntsKey a0) -> bool
2562  has_attribute(Angle self, StringKey a0) -> bool
2563  has_attribute(Angle self, ParticleIndexKey a0) -> bool
2564  has_attribute(Angle self, ObjectKey a0) -> bool
2565  """
2566  return _IMP_atom.Angle_has_attribute(self, *args)
2567 
2568 
2569  def get_derivative(self, a0):
2570  """get_derivative(Angle self, FloatKey a0) -> double"""
2571  return _IMP_atom.Angle_get_derivative(self, a0)
2572 
2573 
2574  def get_name(self):
2575  """get_name(Angle self) -> std::string"""
2576  return _IMP_atom.Angle_get_name(self)
2577 
2578 
2579  def clear_caches(self):
2580  """clear_caches(Angle self)"""
2581  return _IMP_atom.Angle_clear_caches(self)
2582 
2583 
2584  def set_name(self, a0):
2585  """set_name(Angle self, std::string a0)"""
2586  return _IMP_atom.Angle_set_name(self, a0)
2587 
2588 
2589  def set_check_level(self, a0):
2590  """set_check_level(Angle self, IMP::CheckLevel a0)"""
2591  return _IMP_atom.Angle_set_check_level(self, a0)
2592 
2593 
2594  def add_to_derivative(self, a0, a1, a2):
2595  """add_to_derivative(Angle self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2596  return _IMP_atom.Angle_add_to_derivative(self, a0, a1, a2)
2597 
2598 
2599  def set_is_optimized(self, a0, a1):
2600  """set_is_optimized(Angle self, FloatKey a0, bool a1)"""
2601  return _IMP_atom.Angle_set_is_optimized(self, a0, a1)
2602 
2603 
2604  def get_is_optimized(self, a0):
2605  """get_is_optimized(Angle self, FloatKey a0) -> bool"""
2606  return _IMP_atom.Angle_get_is_optimized(self, a0)
2607 
2608 
2609  def get_check_level(self):
2610  """get_check_level(Angle self) -> IMP::CheckLevel"""
2611  return _IMP_atom.Angle_get_check_level(self)
2612 
2613 
2614  def __eq__(self, *args):
2615  """
2616  __eq__(Angle self, Angle o) -> bool
2617  __eq__(Angle self, Particle d) -> bool
2618  """
2619  return _IMP_atom.Angle___eq__(self, *args)
2620 
2621 
2622  def __ne__(self, *args):
2623  """
2624  __ne__(Angle self, Angle o) -> bool
2625  __ne__(Angle self, Particle d) -> bool
2626  """
2627  return _IMP_atom.Angle___ne__(self, *args)
2628 
2629 
2630  def __le__(self, *args):
2631  """
2632  __le__(Angle self, Angle o) -> bool
2633  __le__(Angle self, Particle d) -> bool
2634  """
2635  return _IMP_atom.Angle___le__(self, *args)
2636 
2637 
2638  def __lt__(self, *args):
2639  """
2640  __lt__(Angle self, Angle o) -> bool
2641  __lt__(Angle self, Particle d) -> bool
2642  """
2643  return _IMP_atom.Angle___lt__(self, *args)
2644 
2645 
2646  def __ge__(self, *args):
2647  """
2648  __ge__(Angle self, Angle o) -> bool
2649  __ge__(Angle self, Particle d) -> bool
2650  """
2651  return _IMP_atom.Angle___ge__(self, *args)
2652 
2653 
2654  def __gt__(self, *args):
2655  """
2656  __gt__(Angle self, Angle o) -> bool
2657  __gt__(Angle self, Particle d) -> bool
2658  """
2659  return _IMP_atom.Angle___gt__(self, *args)
2660 
2661 
2662  def __hash__(self):
2663  """__hash__(Angle self) -> std::size_t"""
2664  return _IMP_atom.Angle___hash__(self)
2665 
2666 
2667  def __str__(self):
2668  """__str__(Angle self) -> std::string"""
2669  return _IMP_atom.Angle___str__(self)
2670 
2671 
2672  def __repr__(self):
2673  """__repr__(Angle self) -> std::string"""
2674  return _IMP_atom.Angle___repr__(self)
2675 
2676  __swig_destroy__ = _IMP_atom.delete_Angle
2677  __del__ = lambda self: None
2678 Angle_swigregister = _IMP_atom.Angle_swigregister
2679 Angle_swigregister(Angle)
2680 
2681 def Angle_setup_particle(*args):
2682  """
2683  setup_particle(Model m, ParticleIndex pi, XYZ a, XYZ b, XYZ c) -> Angle
2684  Angle_setup_particle(_ParticleAdaptor decorator, XYZ a, XYZ b, XYZ c) -> Angle
2685  """
2686  return _IMP_atom.Angle_setup_particle(*args)
2687 
2688 def Angle_get_is_setup(*args):
2689  """
2690  get_is_setup(_ParticleAdaptor p) -> bool
2691  Angle_get_is_setup(Model m, ParticleIndex pi) -> bool
2692  """
2693  return _IMP_atom.Angle_get_is_setup(*args)
2694 
2695 def Angle_get_particle_key(i):
2696  """Angle_get_particle_key(unsigned int i) -> ParticleIndexKey"""
2697  return _IMP_atom.Angle_get_particle_key(i)
2698 
2699 def Angle_get_ideal_key():
2700  """Angle_get_ideal_key() -> FloatKey"""
2701  return _IMP_atom.Angle_get_ideal_key()
2702 
2703 def Angle_get_stiffness_key():
2704  """Angle_get_stiffness_key() -> FloatKey"""
2705  return _IMP_atom.Angle_get_stiffness_key()
2706 
2707 class Dihedral(IMP.Decorator):
2708  """Proxy of C++ IMP::atom::Dihedral class"""
2709  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
2710 
2711  def __init__(self, *args):
2712  """
2713  __init__(IMP::atom::Dihedral self) -> Dihedral
2714  __init__(IMP::atom::Dihedral self, Model m, ParticleIndex id) -> Dihedral
2715  __init__(IMP::atom::Dihedral self, _ParticleAdaptor d) -> Dihedral
2716  """
2717  this = _IMP_atom.new_Dihedral(*args)
2718  try:
2719  self.this.append(this)
2720  except:
2721  self.this = this
2722 
2723  def show(self, *args):
2724  """
2725  show(Dihedral self, _ostream out)
2726  show(Dihedral self)
2727  """
2728  return _IMP_atom.Dihedral_show(self, *args)
2729 
2730 
2731  def setup_particle(*args):
2732  """
2733  setup_particle(Model m, ParticleIndex pi, XYZ a, XYZ b, XYZ c, XYZ d) -> Dihedral
2734  setup_particle(_ParticleAdaptor decorator, XYZ a, XYZ b, XYZ c, XYZ d) -> Dihedral
2735  """
2736  return _IMP_atom.Dihedral_setup_particle(*args)
2737 
2738  setup_particle = staticmethod(setup_particle)
2739 
2740  def get_is_setup(*args):
2741  """
2742  get_is_setup(_ParticleAdaptor p) -> bool
2743  get_is_setup(Model m, ParticleIndex pi) -> bool
2744  """
2745  return _IMP_atom.Dihedral_get_is_setup(*args)
2746 
2747  get_is_setup = staticmethod(get_is_setup)
2748 
2749  def get_particle(self, *args):
2750  """
2751  get_particle(Dihedral self) -> Particle
2752  get_particle(Dihedral self, unsigned int i) -> Particle
2753  """
2754  return _IMP_atom.Dihedral_get_particle(self, *args)
2755 
2756 
2757  def get_ideal(self):
2758  """get_ideal(Dihedral self) -> IMP::Float"""
2759  return _IMP_atom.Dihedral_get_ideal(self)
2760 
2761 
2762  def set_ideal(self, t):
2763  """set_ideal(Dihedral self, IMP::Float t)"""
2764  return _IMP_atom.Dihedral_set_ideal(self, t)
2765 
2766 
2767  def get_multiplicity(self):
2768  """get_multiplicity(Dihedral self) -> IMP::Int"""
2769  return _IMP_atom.Dihedral_get_multiplicity(self)
2770 
2771 
2772  def set_multiplicity(self, t):
2773  """set_multiplicity(Dihedral self, IMP::Int t)"""
2774  return _IMP_atom.Dihedral_set_multiplicity(self, t)
2775 
2776 
2777  def get_stiffness(self):
2778  """get_stiffness(Dihedral self) -> IMP::Float"""
2779  return _IMP_atom.Dihedral_get_stiffness(self)
2780 
2781 
2782  def set_stiffness(self, t):
2783  """set_stiffness(Dihedral self, IMP::Float t)"""
2784  return _IMP_atom.Dihedral_set_stiffness(self, t)
2785 
2786 
2787  def get_particle_key(i):
2788  """get_particle_key(unsigned int i) -> ParticleIndexKey"""
2789  return _IMP_atom.Dihedral_get_particle_key(i)
2790 
2791  get_particle_key = staticmethod(get_particle_key)
2792 
2793  def get_ideal_key():
2794  """get_ideal_key() -> FloatKey"""
2795  return _IMP_atom.Dihedral_get_ideal_key()
2796 
2797  get_ideal_key = staticmethod(get_ideal_key)
2798 
2799  def get_multiplicity_key():
2800  """get_multiplicity_key() -> IntKey"""
2801  return _IMP_atom.Dihedral_get_multiplicity_key()
2802 
2803  get_multiplicity_key = staticmethod(get_multiplicity_key)
2804 
2805  def get_stiffness_key():
2806  """get_stiffness_key() -> FloatKey"""
2807  return _IMP_atom.Dihedral_get_stiffness_key()
2808 
2809  get_stiffness_key = staticmethod(get_stiffness_key)
2810 
2811  def add_attribute(self, *args):
2812  """
2813  add_attribute(Dihedral self, FloatKey k, IMP::Float v, bool opt)
2814  add_attribute(Dihedral self, FloatKey a0, IMP::Float a1)
2815  add_attribute(Dihedral self, IntKey a0, IMP::Int a1)
2816  add_attribute(Dihedral self, FloatsKey a0, IMP::Floats a1)
2817  add_attribute(Dihedral self, IntsKey a0, IMP::Ints a1)
2818  add_attribute(Dihedral self, StringKey a0, IMP::String a1)
2819  add_attribute(Dihedral self, ParticleIndexKey a0, Particle a1)
2820  add_attribute(Dihedral self, ObjectKey a0, Object a1)
2821  """
2822  return _IMP_atom.Dihedral_add_attribute(self, *args)
2823 
2824 
2825  def get_value(self, *args):
2826  """
2827  get_value(Dihedral self, FloatKey a0) -> IMP::Float
2828  get_value(Dihedral self, IntKey a0) -> IMP::Int
2829  get_value(Dihedral self, FloatsKey a0) -> IMP::Floats
2830  get_value(Dihedral self, IntsKey a0) -> IMP::Ints
2831  get_value(Dihedral self, StringKey a0) -> IMP::String
2832  get_value(Dihedral self, ParticleIndexKey a0) -> Particle
2833  get_value(Dihedral self, ObjectKey a0) -> Object
2834  """
2835  return _IMP_atom.Dihedral_get_value(self, *args)
2836 
2837 
2838  def set_value(self, *args):
2839  """
2840  set_value(Dihedral self, FloatKey a0, IMP::Float a1)
2841  set_value(Dihedral self, IntKey a0, IMP::Int a1)
2842  set_value(Dihedral self, FloatsKey a0, IMP::Floats a1)
2843  set_value(Dihedral self, IntsKey a0, IMP::Ints a1)
2844  set_value(Dihedral self, StringKey a0, IMP::String a1)
2845  set_value(Dihedral self, ParticleIndexKey a0, Particle a1)
2846  set_value(Dihedral self, ObjectKey a0, Object a1)
2847  """
2848  return _IMP_atom.Dihedral_set_value(self, *args)
2849 
2850 
2851  def remove_attribute(self, *args):
2852  """
2853  remove_attribute(Dihedral self, FloatKey a0)
2854  remove_attribute(Dihedral self, IntKey a0)
2855  remove_attribute(Dihedral self, FloatsKey a0)
2856  remove_attribute(Dihedral self, IntsKey a0)
2857  remove_attribute(Dihedral self, StringKey a0)
2858  remove_attribute(Dihedral self, ParticleIndexKey a0)
2859  remove_attribute(Dihedral self, ObjectKey a0)
2860  """
2861  return _IMP_atom.Dihedral_remove_attribute(self, *args)
2862 
2863 
2864  def has_attribute(self, *args):
2865  """
2866  has_attribute(Dihedral self, FloatKey a0) -> bool
2867  has_attribute(Dihedral self, IntKey a0) -> bool
2868  has_attribute(Dihedral self, FloatsKey a0) -> bool
2869  has_attribute(Dihedral self, IntsKey a0) -> bool
2870  has_attribute(Dihedral self, StringKey a0) -> bool
2871  has_attribute(Dihedral self, ParticleIndexKey a0) -> bool
2872  has_attribute(Dihedral self, ObjectKey a0) -> bool
2873  """
2874  return _IMP_atom.Dihedral_has_attribute(self, *args)
2875 
2876 
2877  def get_derivative(self, a0):
2878  """get_derivative(Dihedral self, FloatKey a0) -> double"""
2879  return _IMP_atom.Dihedral_get_derivative(self, a0)
2880 
2881 
2882  def get_name(self):
2883  """get_name(Dihedral self) -> std::string"""
2884  return _IMP_atom.Dihedral_get_name(self)
2885 
2886 
2887  def clear_caches(self):
2888  """clear_caches(Dihedral self)"""
2889  return _IMP_atom.Dihedral_clear_caches(self)
2890 
2891 
2892  def set_name(self, a0):
2893  """set_name(Dihedral self, std::string a0)"""
2894  return _IMP_atom.Dihedral_set_name(self, a0)
2895 
2896 
2897  def set_check_level(self, a0):
2898  """set_check_level(Dihedral self, IMP::CheckLevel a0)"""
2899  return _IMP_atom.Dihedral_set_check_level(self, a0)
2900 
2901 
2902  def add_to_derivative(self, a0, a1, a2):
2903  """add_to_derivative(Dihedral self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
2904  return _IMP_atom.Dihedral_add_to_derivative(self, a0, a1, a2)
2905 
2906 
2907  def set_is_optimized(self, a0, a1):
2908  """set_is_optimized(Dihedral self, FloatKey a0, bool a1)"""
2909  return _IMP_atom.Dihedral_set_is_optimized(self, a0, a1)
2910 
2911 
2912  def get_is_optimized(self, a0):
2913  """get_is_optimized(Dihedral self, FloatKey a0) -> bool"""
2914  return _IMP_atom.Dihedral_get_is_optimized(self, a0)
2915 
2916 
2917  def get_check_level(self):
2918  """get_check_level(Dihedral self) -> IMP::CheckLevel"""
2919  return _IMP_atom.Dihedral_get_check_level(self)
2920 
2921 
2922  def __eq__(self, *args):
2923  """
2924  __eq__(Dihedral self, Dihedral o) -> bool
2925  __eq__(Dihedral self, Particle d) -> bool
2926  """
2927  return _IMP_atom.Dihedral___eq__(self, *args)
2928 
2929 
2930  def __ne__(self, *args):
2931  """
2932  __ne__(Dihedral self, Dihedral o) -> bool
2933  __ne__(Dihedral self, Particle d) -> bool
2934  """
2935  return _IMP_atom.Dihedral___ne__(self, *args)
2936 
2937 
2938  def __le__(self, *args):
2939  """
2940  __le__(Dihedral self, Dihedral o) -> bool
2941  __le__(Dihedral self, Particle d) -> bool
2942  """
2943  return _IMP_atom.Dihedral___le__(self, *args)
2944 
2945 
2946  def __lt__(self, *args):
2947  """
2948  __lt__(Dihedral self, Dihedral o) -> bool
2949  __lt__(Dihedral self, Particle d) -> bool
2950  """
2951  return _IMP_atom.Dihedral___lt__(self, *args)
2952 
2953 
2954  def __ge__(self, *args):
2955  """
2956  __ge__(Dihedral self, Dihedral o) -> bool
2957  __ge__(Dihedral self, Particle d) -> bool
2958  """
2959  return _IMP_atom.Dihedral___ge__(self, *args)
2960 
2961 
2962  def __gt__(self, *args):
2963  """
2964  __gt__(Dihedral self, Dihedral o) -> bool
2965  __gt__(Dihedral self, Particle d) -> bool
2966  """
2967  return _IMP_atom.Dihedral___gt__(self, *args)
2968 
2969 
2970  def __hash__(self):
2971  """__hash__(Dihedral self) -> std::size_t"""
2972  return _IMP_atom.Dihedral___hash__(self)
2973 
2974 
2975  def __str__(self):
2976  """__str__(Dihedral self) -> std::string"""
2977  return _IMP_atom.Dihedral___str__(self)
2978 
2979 
2980  def __repr__(self):
2981  """__repr__(Dihedral self) -> std::string"""
2982  return _IMP_atom.Dihedral___repr__(self)
2983 
2984  __swig_destroy__ = _IMP_atom.delete_Dihedral
2985  __del__ = lambda self: None
2986 Dihedral_swigregister = _IMP_atom.Dihedral_swigregister
2987 Dihedral_swigregister(Dihedral)
2988 
2989 def Dihedral_setup_particle(*args):
2990  """
2991  setup_particle(Model m, ParticleIndex pi, XYZ a, XYZ b, XYZ c, XYZ d) -> Dihedral
2992  Dihedral_setup_particle(_ParticleAdaptor decorator, XYZ a, XYZ b, XYZ c, XYZ d) -> Dihedral
2993  """
2994  return _IMP_atom.Dihedral_setup_particle(*args)
2995 
2996 def Dihedral_get_is_setup(*args):
2997  """
2998  get_is_setup(_ParticleAdaptor p) -> bool
2999  Dihedral_get_is_setup(Model m, ParticleIndex pi) -> bool
3000  """
3001  return _IMP_atom.Dihedral_get_is_setup(*args)
3002 
3003 def Dihedral_get_particle_key(i):
3004  """Dihedral_get_particle_key(unsigned int i) -> ParticleIndexKey"""
3005  return _IMP_atom.Dihedral_get_particle_key(i)
3006 
3007 def Dihedral_get_ideal_key():
3008  """Dihedral_get_ideal_key() -> FloatKey"""
3009  return _IMP_atom.Dihedral_get_ideal_key()
3010 
3011 def Dihedral_get_multiplicity_key():
3012  """Dihedral_get_multiplicity_key() -> IntKey"""
3013  return _IMP_atom.Dihedral_get_multiplicity_key()
3014 
3015 def Dihedral_get_stiffness_key():
3016  """Dihedral_get_stiffness_key() -> FloatKey"""
3017  return _IMP_atom.Dihedral_get_stiffness_key()
3018 
3019 class SmoothingFunction(IMP.Object):
3020  """Proxy of C++ IMP::atom::SmoothingFunction class"""
3021  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3022 
3023  def __init__(self, *args, **kwargs):
3024  raise AttributeError("No constructor defined - class is abstract")
3025 
3026  def __call__(self, *args):
3027  """
3028  __call__(SmoothingFunction self, double score, double distance) -> double
3029  __call__(SmoothingFunction self, double score, double deriv, double distance) -> IMP::DerivativePair
3030  """
3031  return _IMP_atom.SmoothingFunction___call__(self, *args)
3032 
3033  __swig_destroy__ = _IMP_atom.delete_SmoothingFunction
3034  __del__ = lambda self: None
3035 
3036  def __str__(self):
3037  """__str__(SmoothingFunction self) -> std::string"""
3038  return _IMP_atom.SmoothingFunction___str__(self)
3039 
3040 
3041  def __repr__(self):
3042  """__repr__(SmoothingFunction self) -> std::string"""
3043  return _IMP_atom.SmoothingFunction___repr__(self)
3044 
3045 
3046  @staticmethod
3047  def get_from(o):
3048  return _object_cast_to_SmoothingFunction(o)
3049 
3050 SmoothingFunction_swigregister = _IMP_atom.SmoothingFunction_swigregister
3051 SmoothingFunction_swigregister(SmoothingFunction)
3052 
3053 class ForceSwitch(SmoothingFunction):
3054  """Proxy of C++ IMP::atom::ForceSwitch class"""
3055  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3056 
3057  def __init__(self, min_distance, max_distance):
3058  """__init__(IMP::atom::ForceSwitch self, double min_distance, double max_distance) -> ForceSwitch"""
3059  this = _IMP_atom.new_ForceSwitch(min_distance, max_distance)
3060  try:
3061  self.this.append(this)
3062  except:
3063  self.this = this
3064 
3065  def __call__(self, *args):
3066  """
3067  __call__(ForceSwitch self, double score, double distance) -> double
3068  __call__(ForceSwitch self, double score, double deriv, double distance) -> IMP::DerivativePair
3069  """
3070  return _IMP_atom.ForceSwitch___call__(self, *args)
3071 
3072 
3073  def get_version_info(self):
3074  """get_version_info(ForceSwitch self) -> VersionInfo"""
3075  return _IMP_atom.ForceSwitch_get_version_info(self)
3076 
3077 
3078  def __str__(self):
3079  """__str__(ForceSwitch self) -> std::string"""
3080  return _IMP_atom.ForceSwitch___str__(self)
3081 
3082 
3083  def __repr__(self):
3084  """__repr__(ForceSwitch self) -> std::string"""
3085  return _IMP_atom.ForceSwitch___repr__(self)
3086 
3087 
3088  @staticmethod
3089  def get_from(o):
3090  return _object_cast_to_ForceSwitch(o)
3091 
3092 ForceSwitch_swigregister = _IMP_atom.ForceSwitch_swigregister
3093 ForceSwitch_swigregister(ForceSwitch)
3094 
3095 class AngleSingletonScore(IMP.SingletonScore):
3096  """Proxy of C++ IMP::atom::AngleSingletonScore class"""
3097  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3098 
3099  def __init__(self, f):
3100  """__init__(IMP::atom::AngleSingletonScore self, UnaryFunction f) -> AngleSingletonScore"""
3101  this = _IMP_atom.new_AngleSingletonScore(f)
3102  try:
3103  self.this.append(this)
3104  except:
3105  self.this = this
3106 
3107  def do_get_inputs(self, m, pis):
3108  """do_get_inputs(AngleSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3109  return _IMP_atom.AngleSingletonScore_do_get_inputs(self, m, pis)
3110 
3111 
3112  def get_version_info(self):
3113  """get_version_info(AngleSingletonScore self) -> VersionInfo"""
3114  return _IMP_atom.AngleSingletonScore_get_version_info(self)
3115 
3116 
3117  def __str__(self):
3118  """__str__(AngleSingletonScore self) -> std::string"""
3119  return _IMP_atom.AngleSingletonScore___str__(self)
3120 
3121 
3122  def __repr__(self):
3123  """__repr__(AngleSingletonScore self) -> std::string"""
3124  return _IMP_atom.AngleSingletonScore___repr__(self)
3125 
3126 
3127  @staticmethod
3128  def get_from(o):
3129  return _object_cast_to_AngleSingletonScore(o)
3130 
3131 AngleSingletonScore_swigregister = _IMP_atom.AngleSingletonScore_swigregister
3132 AngleSingletonScore_swigregister(AngleSingletonScore)
3133 
3134 class BondEndpointsRefiner(IMP.Refiner):
3135  """Proxy of C++ IMP::atom::BondEndpointsRefiner class"""
3136  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3137 
3138  def __init__(self):
3139  """__init__(IMP::atom::BondEndpointsRefiner self) -> BondEndpointsRefiner"""
3140  this = _IMP_atom.new_BondEndpointsRefiner()
3141  try:
3142  self.this.append(this)
3143  except:
3144  self.this = this
3145 
3146  def do_get_inputs(self, m, pis):
3147  """do_get_inputs(BondEndpointsRefiner self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3148  return _IMP_atom.BondEndpointsRefiner_do_get_inputs(self, m, pis)
3149 
3150 
3151  def get_version_info(self):
3152  """get_version_info(BondEndpointsRefiner self) -> VersionInfo"""
3153  return _IMP_atom.BondEndpointsRefiner_get_version_info(self)
3154 
3155 
3156  def __str__(self):
3157  """__str__(BondEndpointsRefiner self) -> std::string"""
3158  return _IMP_atom.BondEndpointsRefiner___str__(self)
3159 
3160 
3161  def __repr__(self):
3162  """__repr__(BondEndpointsRefiner self) -> std::string"""
3163  return _IMP_atom.BondEndpointsRefiner___repr__(self)
3164 
3165 
3166  @staticmethod
3167  def get_from(o):
3168  return _object_cast_to_BondEndpointsRefiner(o)
3169 
3170 BondEndpointsRefiner_swigregister = _IMP_atom.BondEndpointsRefiner_swigregister
3171 BondEndpointsRefiner_swigregister(BondEndpointsRefiner)
3172 
3173 class BondPairContainer(IMP.PairContainer):
3174  """Proxy of C++ IMP::atom::BondPairContainer class"""
3175  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3176 
3177  def __init__(self, sc):
3178  """__init__(IMP::atom::BondPairContainer self, SingletonContainer sc) -> BondPairContainer"""
3179  this = _IMP_atom.new_BondPairContainer(sc)
3180  try:
3181  self.this.append(this)
3182  except:
3183  self.this = this
3184 
3185  def do_get_inputs(self):
3186  """do_get_inputs(BondPairContainer self) -> IMP::ModelObjectsTemp"""
3187  return _IMP_atom.BondPairContainer_do_get_inputs(self)
3188 
3189 
3190  def do_apply(self, sm):
3191  """do_apply(BondPairContainer self, PairModifier sm)"""
3192  return _IMP_atom.BondPairContainer_do_apply(self, sm)
3193 
3194 
3195  def get_version_info(self):
3196  """get_version_info(BondPairContainer self) -> VersionInfo"""
3197  return _IMP_atom.BondPairContainer_get_version_info(self)
3198 
3199 
3200  def __str__(self):
3201  """__str__(BondPairContainer self) -> std::string"""
3202  return _IMP_atom.BondPairContainer___str__(self)
3203 
3204 
3205  def __repr__(self):
3206  """__repr__(BondPairContainer self) -> std::string"""
3207  return _IMP_atom.BondPairContainer___repr__(self)
3208 
3209 
3210  @staticmethod
3211  def get_from(o):
3212  return _object_cast_to_BondPairContainer(o)
3213 
3214 BondPairContainer_swigregister = _IMP_atom.BondPairContainer_swigregister
3215 BondPairContainer_swigregister(BondPairContainer)
3216 
3217 class BondSingletonScore(IMP.SingletonScore):
3218  """Proxy of C++ IMP::atom::BondSingletonScore class"""
3219  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3220 
3221  def __init__(self, f):
3222  """__init__(IMP::atom::BondSingletonScore self, UnaryFunction f) -> BondSingletonScore"""
3223  this = _IMP_atom.new_BondSingletonScore(f)
3224  try:
3225  self.this.append(this)
3226  except:
3227  self.this = this
3228 
3229  def get_unary_function(self):
3230  """get_unary_function(BondSingletonScore self) -> UnaryFunction"""
3231  return _IMP_atom.BondSingletonScore_get_unary_function(self)
3232 
3233 
3234  def do_get_inputs(self, m, pis):
3235  """do_get_inputs(BondSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3236  return _IMP_atom.BondSingletonScore_do_get_inputs(self, m, pis)
3237 
3238 
3239  def get_version_info(self):
3240  """get_version_info(BondSingletonScore self) -> VersionInfo"""
3241  return _IMP_atom.BondSingletonScore_get_version_info(self)
3242 
3243 
3244  def __str__(self):
3245  """__str__(BondSingletonScore self) -> std::string"""
3246  return _IMP_atom.BondSingletonScore___str__(self)
3247 
3248 
3249  def __repr__(self):
3250  """__repr__(BondSingletonScore self) -> std::string"""
3251  return _IMP_atom.BondSingletonScore___repr__(self)
3252 
3253 
3254  @staticmethod
3255  def get_from(o):
3256  return _object_cast_to_BondSingletonScore(o)
3257 
3258 BondSingletonScore_swigregister = _IMP_atom.BondSingletonScore_swigregister
3259 BondSingletonScore_swigregister(BondSingletonScore)
3260 
3261 class DihedralSingletonScore(IMP.SingletonScore):
3262  """Proxy of C++ IMP::atom::DihedralSingletonScore class"""
3263  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3264 
3265  def __init__(self):
3266  """__init__(IMP::atom::DihedralSingletonScore self) -> DihedralSingletonScore"""
3267  this = _IMP_atom.new_DihedralSingletonScore()
3268  try:
3269  self.this.append(this)
3270  except:
3271  self.this = this
3272 
3273  def do_get_inputs(self, m, pis):
3274  """do_get_inputs(DihedralSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3275  return _IMP_atom.DihedralSingletonScore_do_get_inputs(self, m, pis)
3276 
3277 
3278  def get_version_info(self):
3279  """get_version_info(DihedralSingletonScore self) -> VersionInfo"""
3280  return _IMP_atom.DihedralSingletonScore_get_version_info(self)
3281 
3282 
3283  def __str__(self):
3284  """__str__(DihedralSingletonScore self) -> std::string"""
3285  return _IMP_atom.DihedralSingletonScore___str__(self)
3286 
3287 
3288  def __repr__(self):
3289  """__repr__(DihedralSingletonScore self) -> std::string"""
3290  return _IMP_atom.DihedralSingletonScore___repr__(self)
3291 
3292 
3293  @staticmethod
3294  def get_from(o):
3295  return _object_cast_to_DihedralSingletonScore(o)
3296 
3297 DihedralSingletonScore_swigregister = _IMP_atom.DihedralSingletonScore_swigregister
3298 DihedralSingletonScore_swigregister(DihedralSingletonScore)
3299 
3300 class ImproperSingletonScore(IMP.SingletonScore):
3301  """Proxy of C++ IMP::atom::ImproperSingletonScore class"""
3302  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3303 
3304  def __init__(self, f):
3305  """__init__(IMP::atom::ImproperSingletonScore self, UnaryFunction f) -> ImproperSingletonScore"""
3306  this = _IMP_atom.new_ImproperSingletonScore(f)
3307  try:
3308  self.this.append(this)
3309  except:
3310  self.this = this
3311 
3312  def do_get_inputs(self, m, pis):
3313  """do_get_inputs(ImproperSingletonScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3314  return _IMP_atom.ImproperSingletonScore_do_get_inputs(self, m, pis)
3315 
3316 
3317  def get_version_info(self):
3318  """get_version_info(ImproperSingletonScore self) -> VersionInfo"""
3319  return _IMP_atom.ImproperSingletonScore_get_version_info(self)
3320 
3321 
3322  def __str__(self):
3323  """__str__(ImproperSingletonScore self) -> std::string"""
3324  return _IMP_atom.ImproperSingletonScore___str__(self)
3325 
3326 
3327  def __repr__(self):
3328  """__repr__(ImproperSingletonScore self) -> std::string"""
3329  return _IMP_atom.ImproperSingletonScore___repr__(self)
3330 
3331 
3332  @staticmethod
3333  def get_from(o):
3334  return _object_cast_to_ImproperSingletonScore(o)
3335 
3336 ImproperSingletonScore_swigregister = _IMP_atom.ImproperSingletonScore_swigregister
3337 ImproperSingletonScore_swigregister(ImproperSingletonScore)
3338 
3339 class CenterOfMass(IMP.Decorator):
3340  """Proxy of C++ IMP::atom::CenterOfMass class"""
3341  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3342 
3343  def get_constraint(self):
3344  """get_constraint(CenterOfMass self) -> Constraint"""
3345  return _IMP_atom.CenterOfMass_get_constraint(self)
3346 
3347 
3348  def get_mass(self):
3349  """get_mass(CenterOfMass self) -> IMP::Float"""
3350  return _IMP_atom.CenterOfMass_get_mass(self)
3351 
3352 
3353  def get_coordinate(self, i):
3354  """get_coordinate(CenterOfMass self, int i) -> IMP::Float"""
3355  return _IMP_atom.CenterOfMass_get_coordinate(self, i)
3356 
3357 
3358  def get_coordinates(self):
3359  """get_coordinates(CenterOfMass self) -> Vector3D"""
3360  return _IMP_atom.CenterOfMass_get_coordinates(self)
3361 
3362 
3363  def __init__(self, *args):
3364  """
3365  __init__(IMP::atom::CenterOfMass self) -> CenterOfMass
3366  __init__(IMP::atom::CenterOfMass self, Model m, ParticleIndex id) -> CenterOfMass
3367  __init__(IMP::atom::CenterOfMass self, _ParticleAdaptor d) -> CenterOfMass
3368  """
3369  this = _IMP_atom.new_CenterOfMass(*args)
3370  try:
3371  self.this.append(this)
3372  except:
3373  self.this = this
3374 
3375  def show(self, *args):
3376  """
3377  show(CenterOfMass self, _ostream out)
3378  show(CenterOfMass self)
3379  """
3380  return _IMP_atom.CenterOfMass_show(self, *args)
3381 
3382 
3383  def setup_particle(*args):
3384  """
3385  setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> CenterOfMass
3386  setup_particle(_ParticleAdaptor decorator, _ParticleIndexesAdaptor members) -> CenterOfMass
3387  setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> CenterOfMass
3388  setup_particle(_ParticleAdaptor decorator, Refiner refiner) -> CenterOfMass
3389  """
3390  return _IMP_atom.CenterOfMass_setup_particle(*args)
3391 
3392  setup_particle = staticmethod(setup_particle)
3393 
3394  def get_is_setup(*args):
3395  """
3396  get_is_setup(_ParticleAdaptor p) -> bool
3397  get_is_setup(Model m, ParticleIndex pi) -> bool
3398  """
3399  return _IMP_atom.CenterOfMass_get_is_setup(*args)
3400 
3401  get_is_setup = staticmethod(get_is_setup)
3402 
3403  def add_attribute(self, *args):
3404  """
3405  add_attribute(CenterOfMass self, FloatKey k, IMP::Float v, bool opt)
3406  add_attribute(CenterOfMass self, FloatKey a0, IMP::Float a1)
3407  add_attribute(CenterOfMass self, IntKey a0, IMP::Int a1)
3408  add_attribute(CenterOfMass self, FloatsKey a0, IMP::Floats a1)
3409  add_attribute(CenterOfMass self, IntsKey a0, IMP::Ints a1)
3410  add_attribute(CenterOfMass self, StringKey a0, IMP::String a1)
3411  add_attribute(CenterOfMass self, ParticleIndexKey a0, Particle a1)
3412  add_attribute(CenterOfMass self, ObjectKey a0, Object a1)
3413  """
3414  return _IMP_atom.CenterOfMass_add_attribute(self, *args)
3415 
3416 
3417  def get_value(self, *args):
3418  """
3419  get_value(CenterOfMass self, FloatKey a0) -> IMP::Float
3420  get_value(CenterOfMass self, IntKey a0) -> IMP::Int
3421  get_value(CenterOfMass self, FloatsKey a0) -> IMP::Floats
3422  get_value(CenterOfMass self, IntsKey a0) -> IMP::Ints
3423  get_value(CenterOfMass self, StringKey a0) -> IMP::String
3424  get_value(CenterOfMass self, ParticleIndexKey a0) -> Particle
3425  get_value(CenterOfMass self, ObjectKey a0) -> Object
3426  """
3427  return _IMP_atom.CenterOfMass_get_value(self, *args)
3428 
3429 
3430  def set_value(self, *args):
3431  """
3432  set_value(CenterOfMass self, FloatKey a0, IMP::Float a1)
3433  set_value(CenterOfMass self, IntKey a0, IMP::Int a1)
3434  set_value(CenterOfMass self, FloatsKey a0, IMP::Floats a1)
3435  set_value(CenterOfMass self, IntsKey a0, IMP::Ints a1)
3436  set_value(CenterOfMass self, StringKey a0, IMP::String a1)
3437  set_value(CenterOfMass self, ParticleIndexKey a0, Particle a1)
3438  set_value(CenterOfMass self, ObjectKey a0, Object a1)
3439  """
3440  return _IMP_atom.CenterOfMass_set_value(self, *args)
3441 
3442 
3443  def remove_attribute(self, *args):
3444  """
3445  remove_attribute(CenterOfMass self, FloatKey a0)
3446  remove_attribute(CenterOfMass self, IntKey a0)
3447  remove_attribute(CenterOfMass self, FloatsKey a0)
3448  remove_attribute(CenterOfMass self, IntsKey a0)
3449  remove_attribute(CenterOfMass self, StringKey a0)
3450  remove_attribute(CenterOfMass self, ParticleIndexKey a0)
3451  remove_attribute(CenterOfMass self, ObjectKey a0)
3452  """
3453  return _IMP_atom.CenterOfMass_remove_attribute(self, *args)
3454 
3455 
3456  def has_attribute(self, *args):
3457  """
3458  has_attribute(CenterOfMass self, FloatKey a0) -> bool
3459  has_attribute(CenterOfMass self, IntKey a0) -> bool
3460  has_attribute(CenterOfMass self, FloatsKey a0) -> bool
3461  has_attribute(CenterOfMass self, IntsKey a0) -> bool
3462  has_attribute(CenterOfMass self, StringKey a0) -> bool
3463  has_attribute(CenterOfMass self, ParticleIndexKey a0) -> bool
3464  has_attribute(CenterOfMass self, ObjectKey a0) -> bool
3465  """
3466  return _IMP_atom.CenterOfMass_has_attribute(self, *args)
3467 
3468 
3469  def get_derivative(self, a0):
3470  """get_derivative(CenterOfMass self, FloatKey a0) -> double"""
3471  return _IMP_atom.CenterOfMass_get_derivative(self, a0)
3472 
3473 
3474  def get_name(self):
3475  """get_name(CenterOfMass self) -> std::string"""
3476  return _IMP_atom.CenterOfMass_get_name(self)
3477 
3478 
3479  def clear_caches(self):
3480  """clear_caches(CenterOfMass self)"""
3481  return _IMP_atom.CenterOfMass_clear_caches(self)
3482 
3483 
3484  def set_name(self, a0):
3485  """set_name(CenterOfMass self, std::string a0)"""
3486  return _IMP_atom.CenterOfMass_set_name(self, a0)
3487 
3488 
3489  def set_check_level(self, a0):
3490  """set_check_level(CenterOfMass self, IMP::CheckLevel a0)"""
3491  return _IMP_atom.CenterOfMass_set_check_level(self, a0)
3492 
3493 
3494  def add_to_derivative(self, a0, a1, a2):
3495  """add_to_derivative(CenterOfMass self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
3496  return _IMP_atom.CenterOfMass_add_to_derivative(self, a0, a1, a2)
3497 
3498 
3499  def set_is_optimized(self, a0, a1):
3500  """set_is_optimized(CenterOfMass self, FloatKey a0, bool a1)"""
3501  return _IMP_atom.CenterOfMass_set_is_optimized(self, a0, a1)
3502 
3503 
3504  def get_is_optimized(self, a0):
3505  """get_is_optimized(CenterOfMass self, FloatKey a0) -> bool"""
3506  return _IMP_atom.CenterOfMass_get_is_optimized(self, a0)
3507 
3508 
3509  def get_check_level(self):
3510  """get_check_level(CenterOfMass self) -> IMP::CheckLevel"""
3511  return _IMP_atom.CenterOfMass_get_check_level(self)
3512 
3513 
3514  def __eq__(self, *args):
3515  """
3516  __eq__(CenterOfMass self, CenterOfMass o) -> bool
3517  __eq__(CenterOfMass self, Particle d) -> bool
3518  """
3519  return _IMP_atom.CenterOfMass___eq__(self, *args)
3520 
3521 
3522  def __ne__(self, *args):
3523  """
3524  __ne__(CenterOfMass self, CenterOfMass o) -> bool
3525  __ne__(CenterOfMass self, Particle d) -> bool
3526  """
3527  return _IMP_atom.CenterOfMass___ne__(self, *args)
3528 
3529 
3530  def __le__(self, *args):
3531  """
3532  __le__(CenterOfMass self, CenterOfMass o) -> bool
3533  __le__(CenterOfMass self, Particle d) -> bool
3534  """
3535  return _IMP_atom.CenterOfMass___le__(self, *args)
3536 
3537 
3538  def __lt__(self, *args):
3539  """
3540  __lt__(CenterOfMass self, CenterOfMass o) -> bool
3541  __lt__(CenterOfMass self, Particle d) -> bool
3542  """
3543  return _IMP_atom.CenterOfMass___lt__(self, *args)
3544 
3545 
3546  def __ge__(self, *args):
3547  """
3548  __ge__(CenterOfMass self, CenterOfMass o) -> bool
3549  __ge__(CenterOfMass self, Particle d) -> bool
3550  """
3551  return _IMP_atom.CenterOfMass___ge__(self, *args)
3552 
3553 
3554  def __gt__(self, *args):
3555  """
3556  __gt__(CenterOfMass self, CenterOfMass o) -> bool
3557  __gt__(CenterOfMass self, Particle d) -> bool
3558  """
3559  return _IMP_atom.CenterOfMass___gt__(self, *args)
3560 
3561 
3562  def __hash__(self):
3563  """__hash__(CenterOfMass self) -> std::size_t"""
3564  return _IMP_atom.CenterOfMass___hash__(self)
3565 
3566 
3567  def __str__(self):
3568  """__str__(CenterOfMass self) -> std::string"""
3569  return _IMP_atom.CenterOfMass___str__(self)
3570 
3571 
3572  def __repr__(self):
3573  """__repr__(CenterOfMass self) -> std::string"""
3574  return _IMP_atom.CenterOfMass___repr__(self)
3575 
3576  __swig_destroy__ = _IMP_atom.delete_CenterOfMass
3577  __del__ = lambda self: None
3578 CenterOfMass_swigregister = _IMP_atom.CenterOfMass_swigregister
3579 CenterOfMass_swigregister(CenterOfMass)
3580 
3581 def CenterOfMass_setup_particle(*args):
3582  """
3583  setup_particle(Model m, ParticleIndex pi, _ParticleIndexesAdaptor members) -> CenterOfMass
3584  setup_particle(_ParticleAdaptor decorator, _ParticleIndexesAdaptor members) -> CenterOfMass
3585  setup_particle(Model m, ParticleIndex pi, Refiner refiner) -> CenterOfMass
3586  CenterOfMass_setup_particle(_ParticleAdaptor decorator, Refiner refiner) -> CenterOfMass
3587  """
3588  return _IMP_atom.CenterOfMass_setup_particle(*args)
3589 
3590 def CenterOfMass_get_is_setup(*args):
3591  """
3592  get_is_setup(_ParticleAdaptor p) -> bool
3593  CenterOfMass_get_is_setup(Model m, ParticleIndex pi) -> bool
3594  """
3595  return _IMP_atom.CenterOfMass_get_is_setup(*args)
3596 
3597 class CoverBond(IMP.SingletonModifier):
3598  """Proxy of C++ IMP::atom::CoverBond class"""
3599  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3600 
3601  def __init__(self):
3602  """__init__(IMP::atom::CoverBond self) -> CoverBond"""
3603  this = _IMP_atom.new_CoverBond()
3604  try:
3605  self.this.append(this)
3606  except:
3607  self.this = this
3608 
3609  def do_get_inputs(self, m, pis):
3610  """do_get_inputs(CoverBond self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3611  return _IMP_atom.CoverBond_do_get_inputs(self, m, pis)
3612 
3613 
3614  def do_get_outputs(self, m, pis):
3615  """do_get_outputs(CoverBond self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
3616  return _IMP_atom.CoverBond_do_get_outputs(self, m, pis)
3617 
3618 
3619  def get_version_info(self):
3620  """get_version_info(CoverBond self) -> VersionInfo"""
3621  return _IMP_atom.CoverBond_get_version_info(self)
3622 
3623 
3624  def __str__(self):
3625  """__str__(CoverBond self) -> std::string"""
3626  return _IMP_atom.CoverBond___str__(self)
3627 
3628 
3629  def __repr__(self):
3630  """__repr__(CoverBond self) -> std::string"""
3631  return _IMP_atom.CoverBond___repr__(self)
3632 
3633 
3634  @staticmethod
3635  def get_from(o):
3636  return _object_cast_to_CoverBond(o)
3637 
3638 CoverBond_swigregister = _IMP_atom.CoverBond_swigregister
3639 CoverBond_swigregister(CoverBond)
3640 
3641 class Simulator(IMP.Optimizer):
3642  """Proxy of C++ IMP::atom::Simulator class"""
3643  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3644 
3645  def __init__(self, *args):
3646  """
3647  __init__(IMP::atom::Simulator self, Model m, std::string name, double wave_factor=1.0) -> Simulator
3648  __init__(IMP::atom::Simulator self, Model m, std::string name) -> Simulator
3649  __init__(IMP::atom::Simulator self, Model m) -> Simulator
3650  """
3651  if self.__class__ == Simulator:
3652  _self = None
3653  else:
3654  _self = self
3655  this = _IMP_atom.new_Simulator(_self, *args)
3656  try:
3657  self.this.append(this)
3658  except:
3659  self.this = this
3660 
3661  if self.__class__ != Simulator:
3662  _director_objects.register(self)
3663 
3664 
3665 
3666 
3667  def simulate(self, time_in_fs):
3668  """simulate(Simulator self, double time_in_fs) -> double"""
3669  return _IMP_atom.Simulator_simulate(self, time_in_fs)
3670 
3671 
3672  def simulate_wave(self, time_in_fs, max_time_step_factor=10.0, base=1.5):
3673  """
3674  simulate_wave(Simulator self, double time_in_fs, double max_time_step_factor=10.0, double base=1.5) -> double
3675  simulate_wave(Simulator self, double time_in_fs, double max_time_step_factor=10.0) -> double
3676  simulate_wave(Simulator self, double time_in_fs) -> double
3677  """
3678  return _IMP_atom.Simulator_simulate_wave(self, time_in_fs, max_time_step_factor, base)
3679 
3680 
3681  def get_temperature(self):
3682  """get_temperature(Simulator self) -> double"""
3683  return _IMP_atom.Simulator_get_temperature(self)
3684 
3685 
3686  def set_temperature(self, d):
3687  """set_temperature(Simulator self, double d)"""
3688  return _IMP_atom.Simulator_set_temperature(self, d)
3689 
3690 
3691  def set_maximum_time_step(self, ts):
3692  """set_maximum_time_step(Simulator self, double ts)"""
3693  return _IMP_atom.Simulator_set_maximum_time_step(self, ts)
3694 
3695 
3696  def get_maximum_time_step(self):
3697  """get_maximum_time_step(Simulator self) -> double"""
3698  return _IMP_atom.Simulator_get_maximum_time_step(self)
3699 
3700 
3701  def get_last_time_step(self):
3702  """get_last_time_step(Simulator self) -> double"""
3703  return _IMP_atom.Simulator_get_last_time_step(self)
3704 
3705 
3706  def set_time_step(self, ts):
3707  """set_time_step(Simulator self, double ts)"""
3708  return _IMP_atom.Simulator_set_time_step(self, ts)
3709 
3710 
3711  def get_kt(self):
3712  """get_kt(Simulator self) -> double"""
3713  return _IMP_atom.Simulator_get_kt(self)
3714 
3715 
3716  def get_current_time(self):
3717  """get_current_time(Simulator self) -> double"""
3718  return _IMP_atom.Simulator_get_current_time(self)
3719 
3720 
3721  def set_current_time(self, ct):
3722  """set_current_time(Simulator self, double ct)"""
3723  return _IMP_atom.Simulator_set_current_time(self, ct)
3724 
3725 
3726  def get_simulation_particles(self):
3727  """get_simulation_particles(Simulator self) -> IMP::ParticlesTemp"""
3728  return _IMP_atom.Simulator_get_simulation_particles(self)
3729 
3730 
3731  def get_simulation_particle_indexes(self):
3732  """get_simulation_particle_indexes(Simulator self) -> IMP::ParticleIndexes"""
3733  return _IMP_atom.Simulator_get_simulation_particle_indexes(self)
3734 
3735 
3736  def remove_particle(self, d):
3737  """remove_particle(Simulator self, Particle d)"""
3738  return _IMP_atom.Simulator_remove_particle(self, d)
3739 
3740 
3741  def remove_particles(self, d):
3742  """remove_particles(Simulator self, IMP::Particles const & d)"""
3743  return _IMP_atom.Simulator_remove_particles(self, d)
3744 
3745 
3746  def set_particles(self, ps):
3747  """set_particles(Simulator self, IMP::Particles const & ps)"""
3748  return _IMP_atom.Simulator_set_particles(self, ps)
3749 
3750 
3751  def set_particles_order(self, objs):
3752  """set_particles_order(Simulator self, IMP::Particles const & objs)"""
3753  return _IMP_atom.Simulator_set_particles_order(self, objs)
3754 
3755 
3756  def add_particle(self, obj):
3757  """add_particle(Simulator self, Particle obj) -> unsigned int"""
3758  return _IMP_atom.Simulator_add_particle(self, obj)
3759 
3760 
3761  def add_particles(self, objs):
3762  """add_particles(Simulator self, IMP::Particles const & objs)"""
3763  return _IMP_atom.Simulator_add_particles(self, objs)
3764 
3765 
3766  def clear_particles(self):
3767  """clear_particles(Simulator self)"""
3768  return _IMP_atom.Simulator_clear_particles(self)
3769 
3770 
3771  def get_number_of_particles(self):
3772  """get_number_of_particles(Simulator self) -> unsigned int"""
3773  return _IMP_atom.Simulator_get_number_of_particles(self)
3774 
3775 
3776  def get_has_particles(self):
3777  """get_has_particles(Simulator self) -> bool"""
3778  return _IMP_atom.Simulator_get_has_particles(self)
3779 
3780 
3781  def get_particle(self, i):
3782  """get_particle(Simulator self, unsigned int i) -> Particle"""
3783  return _IMP_atom.Simulator_get_particle(self, i)
3784 
3785 
3786  def get_particles(self):
3787  """get_particles(Simulator self) -> IMP::Particles"""
3788  return _IMP_atom.Simulator_get_particles(self)
3789 
3790 
3791  def reserve_particles(self, sz):
3792  """reserve_particles(Simulator self, unsigned int sz)"""
3793  return _IMP_atom.Simulator_reserve_particles(self, sz)
3794 
3795 
3796  def do_optimize(self, max_steps):
3797  """do_optimize(Simulator self, unsigned int max_steps) -> IMP::Float"""
3798  return _IMP_atom.Simulator_do_optimize(self, max_steps)
3799 
3800 
3801  def setup(self, arg0):
3802  """setup(Simulator self, IMP::ParticleIndexes const & arg0)"""
3803  return _IMP_atom.Simulator_setup(self, arg0)
3804 
3805 
3806  def do_step(self, sc, dt):
3807  """do_step(Simulator self, IMP::ParticleIndexes const & sc, double dt) -> double"""
3808  return _IMP_atom.Simulator_do_step(self, sc, dt)
3809 
3810 
3811  def get_is_simulation_particle(self, p):
3812  """get_is_simulation_particle(Simulator self, ParticleIndex p) -> bool"""
3813  return _IMP_atom.Simulator_get_is_simulation_particle(self, p)
3814 
3815 
3816  def do_simulate(self, time):
3817  """do_simulate(Simulator self, double time) -> double"""
3818  return _IMP_atom.Simulator_do_simulate(self, time)
3819 
3820 
3821  def do_simulate_wave(self, time_in_fs, max_time_step_factor=10.0, base=1.5):
3822  """
3823  do_simulate_wave(Simulator self, double time_in_fs, double max_time_step_factor=10.0, double base=1.5) -> double
3824  do_simulate_wave(Simulator self, double time_in_fs, double max_time_step_factor=10.0) -> double
3825  do_simulate_wave(Simulator self, double time_in_fs) -> double
3826  """
3827  return _IMP_atom.Simulator_do_simulate_wave(self, time_in_fs, max_time_step_factor, base)
3828 
3829 
3830  def __str__(self):
3831  """__str__(Simulator self) -> std::string"""
3832  return _IMP_atom.Simulator___str__(self)
3833 
3834 
3835  def __repr__(self):
3836  """__repr__(Simulator self) -> std::string"""
3837  return _IMP_atom.Simulator___repr__(self)
3838 
3839 
3840  @staticmethod
3841  def get_from(o):
3842  return _object_cast_to_Simulator(o)
3843 
3844 
3845  def get_type_name(self):
3846  return self.__class__.__name__
3847  def do_show(self, out):
3848  pass
3849  def get_version_info(self):
3850  if"IMP::atom" == "IMP":
3851  return VersionInfo(self.__module__,
3852  __import__(self.__module__).get_module_version())
3853  else:
3854  return IMP.VersionInfo(self.__module__,
3855  __import__(self.__module__).get_module_version())
3856  @staticmethod
3857  def get_from(o):
3858  return _object_cast_to_Simulator(o)
3859 
3860  __swig_destroy__ = _IMP_atom.delete_Simulator
3861  __del__ = lambda self: None
3862  def __disown__(self):
3863  self.this.disown()
3864  _IMP_atom.disown_Simulator(self)
3865  return weakref_proxy(self)
3866 
3867  def do_destroy(self):
3868  """do_destroy(Simulator self)"""
3869  return _IMP_atom.Simulator_do_destroy(self)
3870 
3871 
3872  def handle_set_has_required_score_states(self, arg0):
3873  """handle_set_has_required_score_states(Simulator self, bool arg0)"""
3874  return _IMP_atom.Simulator_handle_set_has_required_score_states(self, arg0)
3875 
3876 
3877  def do_get_inputs(self):
3878  """do_get_inputs(Simulator self) -> IMP::ModelObjectsTemp"""
3879  return _IMP_atom.Simulator_do_get_inputs(self)
3880 
3881 
3882  def do_get_outputs(self):
3883  """do_get_outputs(Simulator self) -> IMP::ModelObjectsTemp"""
3884  return _IMP_atom.Simulator_do_get_outputs(self)
3885 
3886 
3887  def do_get_interactions(self):
3888  """do_get_interactions(Simulator self) -> IMP::ModelObjectsTemps"""
3889  return _IMP_atom.Simulator_do_get_interactions(self)
3890 
3891 Simulator_swigregister = _IMP_atom.Simulator_swigregister
3892 Simulator_swigregister(Simulator)
3893 
3894 
3895 _IMP_atom.IMP_ATOM_DEFAULT_BD_RANDOM_POOL_SIZE_swigconstant(_IMP_atom)
3896 IMP_ATOM_DEFAULT_BD_RANDOM_POOL_SIZE = _IMP_atom.IMP_ATOM_DEFAULT_BD_RANDOM_POOL_SIZE
3897 class BrownianDynamics(Simulator):
3898  """Proxy of C++ IMP::atom::BrownianDynamics class"""
3899  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3900 
3901  def __init__(self, *args):
3902  """
3903  __init__(IMP::atom::BrownianDynamics self, Model m, std::string name, double wave_factor=1.0, unsigned int random_pool_size=10000) -> BrownianDynamics
3904  __init__(IMP::atom::BrownianDynamics self, Model m, std::string name, double wave_factor=1.0) -> BrownianDynamics
3905  __init__(IMP::atom::BrownianDynamics self, Model m, std::string name) -> BrownianDynamics
3906  __init__(IMP::atom::BrownianDynamics self, Model m) -> BrownianDynamics
3907  """
3908  this = _IMP_atom.new_BrownianDynamics(*args)
3909  try:
3910  self.this.append(this)
3911  except:
3912  self.this = this
3913 
3914  def set_maximum_move(self, ms_in_A):
3915  """set_maximum_move(BrownianDynamics self, double ms_in_A)"""
3916  return _IMP_atom.BrownianDynamics_set_maximum_move(self, ms_in_A)
3917 
3918 
3919  def set_use_stochastic_runge_kutta(self, tf):
3920  """set_use_stochastic_runge_kutta(BrownianDynamics self, bool tf)"""
3921  return _IMP_atom.BrownianDynamics_set_use_stochastic_runge_kutta(self, tf)
3922 
3923 
3924  def get_version_info(self):
3925  """get_version_info(BrownianDynamics self) -> VersionInfo"""
3926  return _IMP_atom.BrownianDynamics_get_version_info(self)
3927 
3928 
3929  def __str__(self):
3930  """__str__(BrownianDynamics self) -> std::string"""
3931  return _IMP_atom.BrownianDynamics___str__(self)
3932 
3933 
3934  def __repr__(self):
3935  """__repr__(BrownianDynamics self) -> std::string"""
3936  return _IMP_atom.BrownianDynamics___repr__(self)
3937 
3938 
3939  @staticmethod
3940  def get_from(o):
3941  return _object_cast_to_BrownianDynamics(o)
3942 
3943 BrownianDynamics_swigregister = _IMP_atom.BrownianDynamics_swigregister
3944 BrownianDynamics_swigregister(BrownianDynamics)
3945 
3946 
3948  """get_maximum_time_step_estimate(BrownianDynamics bd) -> double"""
3949  return _IMP_atom.get_maximum_time_step_estimate(bd)
3950 
3951 def get_harmonic_sigma(D, f):
3952  """get_harmonic_sigma(double D, double f) -> double"""
3953  return _IMP_atom.get_harmonic_sigma(D, f)
3954 class BrownianDynamicsTAMD(BrownianDynamics):
3955  """Proxy of C++ IMP::atom::BrownianDynamicsTAMD class"""
3956  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3957 
3958  def __init__(self, *args):
3959  """
3960  __init__(IMP::atom::BrownianDynamicsTAMD self, Model m, std::string name, double wave_factor=1.0) -> BrownianDynamicsTAMD
3961  __init__(IMP::atom::BrownianDynamicsTAMD self, Model m, std::string name) -> BrownianDynamicsTAMD
3962  __init__(IMP::atom::BrownianDynamicsTAMD self, Model m) -> BrownianDynamicsTAMD
3963  """
3964  this = _IMP_atom.new_BrownianDynamicsTAMD(*args)
3965  try:
3966  self.this.append(this)
3967  except:
3968  self.this = this
3969 
3970  def __str__(self):
3971  """__str__(BrownianDynamicsTAMD self) -> std::string"""
3972  return _IMP_atom.BrownianDynamicsTAMD___str__(self)
3973 
3974 
3975  def __repr__(self):
3976  """__repr__(BrownianDynamicsTAMD self) -> std::string"""
3977  return _IMP_atom.BrownianDynamicsTAMD___repr__(self)
3978 
3979 
3980  @staticmethod
3981  def get_from(o):
3982  return _object_cast_to_BrownianDynamicsTAMD(o)
3983 
3984  __swig_destroy__ = _IMP_atom.delete_BrownianDynamicsTAMD
3985  __del__ = lambda self: None
3986 BrownianDynamicsTAMD_swigregister = _IMP_atom.BrownianDynamicsTAMD_swigregister
3987 BrownianDynamicsTAMD_swigregister(BrownianDynamicsTAMD)
3988 
3989 class Diffusion(IMP.core.XYZ):
3990  """Proxy of C++ IMP::atom::Diffusion class"""
3991  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
3992 
3993  def __init__(self, *args):
3994  """
3995  __init__(IMP::atom::Diffusion self) -> Diffusion
3996  __init__(IMP::atom::Diffusion self, Model m, ParticleIndex id) -> Diffusion
3997  __init__(IMP::atom::Diffusion self, _ParticleAdaptor d) -> Diffusion
3998  """
3999  this = _IMP_atom.new_Diffusion(*args)
4000  try:
4001  self.this.append(this)
4002  except:
4003  self.this = this
4004 
4005  def show(self, *args):
4006  """
4007  show(Diffusion self, _ostream out)
4008  show(Diffusion self)
4009  """
4010  return _IMP_atom.Diffusion_show(self, *args)
4011 
4012 
4013  def setup_particle(*args):
4014  """
4015  setup_particle(Model m, ParticleIndex pi, IMP::Float D) -> Diffusion
4016  setup_particle(_ParticleAdaptor decorator, IMP::Float D) -> Diffusion
4017  setup_particle(Model m, ParticleIndex pi, Vector3D v, IMP::Float D) -> Diffusion
4018  setup_particle(_ParticleAdaptor decorator, Vector3D v, IMP::Float D) -> Diffusion
4019  setup_particle(Model m, ParticleIndex pi) -> Diffusion
4020  setup_particle(_ParticleAdaptor decorator) -> Diffusion
4021  """
4022  return _IMP_atom.Diffusion_setup_particle(*args)
4023 
4024  setup_particle = staticmethod(setup_particle)
4025 
4026  def get_is_setup(*args):
4027  """
4028  get_is_setup(_ParticleAdaptor p) -> bool
4029  get_is_setup(Model m, ParticleIndex p) -> bool
4030  """
4031  return _IMP_atom.Diffusion_get_is_setup(*args)
4032 
4033  get_is_setup = staticmethod(get_is_setup)
4034 
4035  def set_diffusion_coefficient(self, d):
4036  """set_diffusion_coefficient(Diffusion self, double d)"""
4037  return _IMP_atom.Diffusion_set_diffusion_coefficient(self, d)
4038 
4039 
4040  def get_diffusion_coefficient(self):
4041  """get_diffusion_coefficient(Diffusion self) -> double"""
4042  return _IMP_atom.Diffusion_get_diffusion_coefficient(self)
4043 
4044 
4045  def get_diffusion_coefficient_key():
4046  """get_diffusion_coefficient_key() -> FloatKey"""
4047  return _IMP_atom.Diffusion_get_diffusion_coefficient_key()
4048 
4049  get_diffusion_coefficient_key = staticmethod(get_diffusion_coefficient_key)
4050 
4051  def add_attribute(self, *args):
4052  """
4053  add_attribute(Diffusion self, FloatKey k, IMP::Float v, bool opt)
4054  add_attribute(Diffusion self, FloatKey a0, IMP::Float a1)
4055  add_attribute(Diffusion self, IntKey a0, IMP::Int a1)
4056  add_attribute(Diffusion self, FloatsKey a0, IMP::Floats a1)
4057  add_attribute(Diffusion self, IntsKey a0, IMP::Ints a1)
4058  add_attribute(Diffusion self, StringKey a0, IMP::String a1)
4059  add_attribute(Diffusion self, ParticleIndexKey a0, Particle a1)
4060  add_attribute(Diffusion self, ObjectKey a0, Object a1)
4061  """
4062  return _IMP_atom.Diffusion_add_attribute(self, *args)
4063 
4064 
4065  def get_value(self, *args):
4066  """
4067  get_value(Diffusion self, FloatKey a0) -> IMP::Float
4068  get_value(Diffusion self, IntKey a0) -> IMP::Int
4069  get_value(Diffusion self, FloatsKey a0) -> IMP::Floats
4070  get_value(Diffusion self, IntsKey a0) -> IMP::Ints
4071  get_value(Diffusion self, StringKey a0) -> IMP::String
4072  get_value(Diffusion self, ParticleIndexKey a0) -> Particle
4073  get_value(Diffusion self, ObjectKey a0) -> Object
4074  """
4075  return _IMP_atom.Diffusion_get_value(self, *args)
4076 
4077 
4078  def set_value(self, *args):
4079  """
4080  set_value(Diffusion self, FloatKey a0, IMP::Float a1)
4081  set_value(Diffusion self, IntKey a0, IMP::Int a1)
4082  set_value(Diffusion self, FloatsKey a0, IMP::Floats a1)
4083  set_value(Diffusion self, IntsKey a0, IMP::Ints a1)
4084  set_value(Diffusion self, StringKey a0, IMP::String a1)
4085  set_value(Diffusion self, ParticleIndexKey a0, Particle a1)
4086  set_value(Diffusion self, ObjectKey a0, Object a1)
4087  """
4088  return _IMP_atom.Diffusion_set_value(self, *args)
4089 
4090 
4091  def remove_attribute(self, *args):
4092  """
4093  remove_attribute(Diffusion self, FloatKey a0)
4094  remove_attribute(Diffusion self, IntKey a0)
4095  remove_attribute(Diffusion self, FloatsKey a0)
4096  remove_attribute(Diffusion self, IntsKey a0)
4097  remove_attribute(Diffusion self, StringKey a0)
4098  remove_attribute(Diffusion self, ParticleIndexKey a0)
4099  remove_attribute(Diffusion self, ObjectKey a0)
4100  """
4101  return _IMP_atom.Diffusion_remove_attribute(self, *args)
4102 
4103 
4104  def has_attribute(self, *args):
4105  """
4106  has_attribute(Diffusion self, FloatKey a0) -> bool
4107  has_attribute(Diffusion self, IntKey a0) -> bool
4108  has_attribute(Diffusion self, FloatsKey a0) -> bool
4109  has_attribute(Diffusion self, IntsKey a0) -> bool
4110  has_attribute(Diffusion self, StringKey a0) -> bool
4111  has_attribute(Diffusion self, ParticleIndexKey a0) -> bool
4112  has_attribute(Diffusion self, ObjectKey a0) -> bool
4113  """
4114  return _IMP_atom.Diffusion_has_attribute(self, *args)
4115 
4116 
4117  def get_derivative(self, a0):
4118  """get_derivative(Diffusion self, FloatKey a0) -> double"""
4119  return _IMP_atom.Diffusion_get_derivative(self, a0)
4120 
4121 
4122  def get_name(self):
4123  """get_name(Diffusion self) -> std::string"""
4124  return _IMP_atom.Diffusion_get_name(self)
4125 
4126 
4127  def clear_caches(self):
4128  """clear_caches(Diffusion self)"""
4129  return _IMP_atom.Diffusion_clear_caches(self)
4130 
4131 
4132  def set_name(self, a0):
4133  """set_name(Diffusion self, std::string a0)"""
4134  return _IMP_atom.Diffusion_set_name(self, a0)
4135 
4136 
4137  def set_check_level(self, a0):
4138  """set_check_level(Diffusion self, IMP::CheckLevel a0)"""
4139  return _IMP_atom.Diffusion_set_check_level(self, a0)
4140 
4141 
4142  def add_to_derivative(self, a0, a1, a2):
4143  """add_to_derivative(Diffusion self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4144  return _IMP_atom.Diffusion_add_to_derivative(self, a0, a1, a2)
4145 
4146 
4147  def set_is_optimized(self, a0, a1):
4148  """set_is_optimized(Diffusion self, FloatKey a0, bool a1)"""
4149  return _IMP_atom.Diffusion_set_is_optimized(self, a0, a1)
4150 
4151 
4152  def get_is_optimized(self, a0):
4153  """get_is_optimized(Diffusion self, FloatKey a0) -> bool"""
4154  return _IMP_atom.Diffusion_get_is_optimized(self, a0)
4155 
4156 
4157  def get_check_level(self):
4158  """get_check_level(Diffusion self) -> IMP::CheckLevel"""
4159  return _IMP_atom.Diffusion_get_check_level(self)
4160 
4161 
4162  def __eq__(self, *args):
4163  """
4164  __eq__(Diffusion self, Diffusion o) -> bool
4165  __eq__(Diffusion self, Particle d) -> bool
4166  """
4167  return _IMP_atom.Diffusion___eq__(self, *args)
4168 
4169 
4170  def __ne__(self, *args):
4171  """
4172  __ne__(Diffusion self, Diffusion o) -> bool
4173  __ne__(Diffusion self, Particle d) -> bool
4174  """
4175  return _IMP_atom.Diffusion___ne__(self, *args)
4176 
4177 
4178  def __le__(self, *args):
4179  """
4180  __le__(Diffusion self, Diffusion o) -> bool
4181  __le__(Diffusion self, Particle d) -> bool
4182  """
4183  return _IMP_atom.Diffusion___le__(self, *args)
4184 
4185 
4186  def __lt__(self, *args):
4187  """
4188  __lt__(Diffusion self, Diffusion o) -> bool
4189  __lt__(Diffusion self, Particle d) -> bool
4190  """
4191  return _IMP_atom.Diffusion___lt__(self, *args)
4192 
4193 
4194  def __ge__(self, *args):
4195  """
4196  __ge__(Diffusion self, Diffusion o) -> bool
4197  __ge__(Diffusion self, Particle d) -> bool
4198  """
4199  return _IMP_atom.Diffusion___ge__(self, *args)
4200 
4201 
4202  def __gt__(self, *args):
4203  """
4204  __gt__(Diffusion self, Diffusion o) -> bool
4205  __gt__(Diffusion self, Particle d) -> bool
4206  """
4207  return _IMP_atom.Diffusion___gt__(self, *args)
4208 
4209 
4210  def __hash__(self):
4211  """__hash__(Diffusion self) -> std::size_t"""
4212  return _IMP_atom.Diffusion___hash__(self)
4213 
4214 
4215  def __str__(self):
4216  """__str__(Diffusion self) -> std::string"""
4217  return _IMP_atom.Diffusion___str__(self)
4218 
4219 
4220  def __repr__(self):
4221  """__repr__(Diffusion self) -> std::string"""
4222  return _IMP_atom.Diffusion___repr__(self)
4223 
4224  __swig_destroy__ = _IMP_atom.delete_Diffusion
4225  __del__ = lambda self: None
4226 Diffusion_swigregister = _IMP_atom.Diffusion_swigregister
4227 Diffusion_swigregister(Diffusion)
4228 
4229 def Diffusion_setup_particle(*args):
4230  """
4231  setup_particle(Model m, ParticleIndex pi, IMP::Float D) -> Diffusion
4232  setup_particle(_ParticleAdaptor decorator, IMP::Float D) -> Diffusion
4233  setup_particle(Model m, ParticleIndex pi, Vector3D v, IMP::Float D) -> Diffusion
4234  setup_particle(_ParticleAdaptor decorator, Vector3D v, IMP::Float D) -> Diffusion
4235  setup_particle(Model m, ParticleIndex pi) -> Diffusion
4236  Diffusion_setup_particle(_ParticleAdaptor decorator) -> Diffusion
4237  """
4238  return _IMP_atom.Diffusion_setup_particle(*args)
4239 
4240 def Diffusion_get_is_setup(*args):
4241  """
4242  get_is_setup(_ParticleAdaptor p) -> bool
4243  Diffusion_get_is_setup(Model m, ParticleIndex p) -> bool
4244  """
4245  return _IMP_atom.Diffusion_get_is_setup(*args)
4246 
4247 def Diffusion_get_diffusion_coefficient_key():
4248  """Diffusion_get_diffusion_coefficient_key() -> FloatKey"""
4249  return _IMP_atom.Diffusion_get_diffusion_coefficient_key()
4250 
4251 
4252 def get_diffusion_coefficient_from_cm2_per_second(din):
4253  """get_diffusion_coefficient_from_cm2_per_second(double din) -> double"""
4254  return _IMP_atom.get_diffusion_coefficient_from_cm2_per_second(din)
4255 class RigidBodyDiffusion(Diffusion):
4256  """Proxy of C++ IMP::atom::RigidBodyDiffusion class"""
4257  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
4258 
4259  def __init__(self, *args):
4260  """
4261  __init__(IMP::atom::RigidBodyDiffusion self) -> RigidBodyDiffusion
4262  __init__(IMP::atom::RigidBodyDiffusion self, Model m, ParticleIndex id) -> RigidBodyDiffusion
4263  __init__(IMP::atom::RigidBodyDiffusion self, _ParticleAdaptor d) -> RigidBodyDiffusion
4264  """
4265  this = _IMP_atom.new_RigidBodyDiffusion(*args)
4266  try:
4267  self.this.append(this)
4268  except:
4269  self.this = this
4270 
4271  def show(self, *args):
4272  """
4273  show(RigidBodyDiffusion self, _ostream out)
4274  show(RigidBodyDiffusion self)
4275  """
4276  return _IMP_atom.RigidBodyDiffusion_show(self, *args)
4277 
4278 
4279  def setup_particle(*args):
4280  """
4281  setup_particle(Model m, ParticleIndex pi) -> RigidBodyDiffusion
4282  setup_particle(_ParticleAdaptor decorator) -> RigidBodyDiffusion
4283  """
4284  return _IMP_atom.RigidBodyDiffusion_setup_particle(*args)
4285 
4286  setup_particle = staticmethod(setup_particle)
4287 
4289  """get_rotational_diffusion_coefficient(RigidBodyDiffusion self) -> double"""
4290  return _IMP_atom.RigidBodyDiffusion_get_rotational_diffusion_coefficient(self)
4291 
4292 
4293  def set_rotational_diffusion_coefficient(self, d):
4294  """set_rotational_diffusion_coefficient(RigidBodyDiffusion self, double d)"""
4295  return _IMP_atom.RigidBodyDiffusion_set_rotational_diffusion_coefficient(self, d)
4296 
4297 
4298  def get_is_setup(*args):
4299  """
4300  get_is_setup(_ParticleAdaptor p) -> bool
4301  get_is_setup(Model m, ParticleIndex p) -> bool
4302  """
4303  return _IMP_atom.RigidBodyDiffusion_get_is_setup(*args)
4304 
4305  get_is_setup = staticmethod(get_is_setup)
4306 
4307  def get_rotational_diffusion_coefficient_key():
4308  """get_rotational_diffusion_coefficient_key() -> FloatKey"""
4309  return _IMP_atom.RigidBodyDiffusion_get_rotational_diffusion_coefficient_key()
4310 
4311  get_rotational_diffusion_coefficient_key = staticmethod(get_rotational_diffusion_coefficient_key)
4312 
4313  def add_attribute(self, *args):
4314  """
4315  add_attribute(RigidBodyDiffusion self, FloatKey k, IMP::Float v, bool opt)
4316  add_attribute(RigidBodyDiffusion self, FloatKey a0, IMP::Float a1)
4317  add_attribute(RigidBodyDiffusion self, IntKey a0, IMP::Int a1)
4318  add_attribute(RigidBodyDiffusion self, FloatsKey a0, IMP::Floats a1)
4319  add_attribute(RigidBodyDiffusion self, IntsKey a0, IMP::Ints a1)
4320  add_attribute(RigidBodyDiffusion self, StringKey a0, IMP::String a1)
4321  add_attribute(RigidBodyDiffusion self, ParticleIndexKey a0, Particle a1)
4322  add_attribute(RigidBodyDiffusion self, ObjectKey a0, Object a1)
4323  """
4324  return _IMP_atom.RigidBodyDiffusion_add_attribute(self, *args)
4325 
4326 
4327  def get_value(self, *args):
4328  """
4329  get_value(RigidBodyDiffusion self, FloatKey a0) -> IMP::Float
4330  get_value(RigidBodyDiffusion self, IntKey a0) -> IMP::Int
4331  get_value(RigidBodyDiffusion self, FloatsKey a0) -> IMP::Floats
4332  get_value(RigidBodyDiffusion self, IntsKey a0) -> IMP::Ints
4333  get_value(RigidBodyDiffusion self, StringKey a0) -> IMP::String
4334  get_value(RigidBodyDiffusion self, ParticleIndexKey a0) -> Particle
4335  get_value(RigidBodyDiffusion self, ObjectKey a0) -> Object
4336  """
4337  return _IMP_atom.RigidBodyDiffusion_get_value(self, *args)
4338 
4339 
4340  def set_value(self, *args):
4341  """
4342  set_value(RigidBodyDiffusion self, FloatKey a0, IMP::Float a1)
4343  set_value(RigidBodyDiffusion self, IntKey a0, IMP::Int a1)
4344  set_value(RigidBodyDiffusion self, FloatsKey a0, IMP::Floats a1)
4345  set_value(RigidBodyDiffusion self, IntsKey a0, IMP::Ints a1)
4346  set_value(RigidBodyDiffusion self, StringKey a0, IMP::String a1)
4347  set_value(RigidBodyDiffusion self, ParticleIndexKey a0, Particle a1)
4348  set_value(RigidBodyDiffusion self, ObjectKey a0, Object a1)
4349  """
4350  return _IMP_atom.RigidBodyDiffusion_set_value(self, *args)
4351 
4352 
4353  def remove_attribute(self, *args):
4354  """
4355  remove_attribute(RigidBodyDiffusion self, FloatKey a0)
4356  remove_attribute(RigidBodyDiffusion self, IntKey a0)
4357  remove_attribute(RigidBodyDiffusion self, FloatsKey a0)
4358  remove_attribute(RigidBodyDiffusion self, IntsKey a0)
4359  remove_attribute(RigidBodyDiffusion self, StringKey a0)
4360  remove_attribute(RigidBodyDiffusion self, ParticleIndexKey a0)
4361  remove_attribute(RigidBodyDiffusion self, ObjectKey a0)
4362  """
4363  return _IMP_atom.RigidBodyDiffusion_remove_attribute(self, *args)
4364 
4365 
4366  def has_attribute(self, *args):
4367  """
4368  has_attribute(RigidBodyDiffusion self, FloatKey a0) -> bool
4369  has_attribute(RigidBodyDiffusion self, IntKey a0) -> bool
4370  has_attribute(RigidBodyDiffusion self, FloatsKey a0) -> bool
4371  has_attribute(RigidBodyDiffusion self, IntsKey a0) -> bool
4372  has_attribute(RigidBodyDiffusion self, StringKey a0) -> bool
4373  has_attribute(RigidBodyDiffusion self, ParticleIndexKey a0) -> bool
4374  has_attribute(RigidBodyDiffusion self, ObjectKey a0) -> bool
4375  """
4376  return _IMP_atom.RigidBodyDiffusion_has_attribute(self, *args)
4377 
4378 
4379  def get_derivative(self, a0):
4380  """get_derivative(RigidBodyDiffusion self, FloatKey a0) -> double"""
4381  return _IMP_atom.RigidBodyDiffusion_get_derivative(self, a0)
4382 
4383 
4384  def get_name(self):
4385  """get_name(RigidBodyDiffusion self) -> std::string"""
4386  return _IMP_atom.RigidBodyDiffusion_get_name(self)
4387 
4388 
4389  def clear_caches(self):
4390  """clear_caches(RigidBodyDiffusion self)"""
4391  return _IMP_atom.RigidBodyDiffusion_clear_caches(self)
4392 
4393 
4394  def set_name(self, a0):
4395  """set_name(RigidBodyDiffusion self, std::string a0)"""
4396  return _IMP_atom.RigidBodyDiffusion_set_name(self, a0)
4397 
4398 
4399  def set_check_level(self, a0):
4400  """set_check_level(RigidBodyDiffusion self, IMP::CheckLevel a0)"""
4401  return _IMP_atom.RigidBodyDiffusion_set_check_level(self, a0)
4402 
4403 
4404  def add_to_derivative(self, a0, a1, a2):
4405  """add_to_derivative(RigidBodyDiffusion self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4406  return _IMP_atom.RigidBodyDiffusion_add_to_derivative(self, a0, a1, a2)
4407 
4408 
4409  def set_is_optimized(self, a0, a1):
4410  """set_is_optimized(RigidBodyDiffusion self, FloatKey a0, bool a1)"""
4411  return _IMP_atom.RigidBodyDiffusion_set_is_optimized(self, a0, a1)
4412 
4413 
4414  def get_is_optimized(self, a0):
4415  """get_is_optimized(RigidBodyDiffusion self, FloatKey a0) -> bool"""
4416  return _IMP_atom.RigidBodyDiffusion_get_is_optimized(self, a0)
4417 
4418 
4419  def get_check_level(self):
4420  """get_check_level(RigidBodyDiffusion self) -> IMP::CheckLevel"""
4421  return _IMP_atom.RigidBodyDiffusion_get_check_level(self)
4422 
4423 
4424  def __eq__(self, *args):
4425  """
4426  __eq__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
4427  __eq__(RigidBodyDiffusion self, Particle d) -> bool
4428  """
4429  return _IMP_atom.RigidBodyDiffusion___eq__(self, *args)
4430 
4431 
4432  def __ne__(self, *args):
4433  """
4434  __ne__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
4435  __ne__(RigidBodyDiffusion self, Particle d) -> bool
4436  """
4437  return _IMP_atom.RigidBodyDiffusion___ne__(self, *args)
4438 
4439 
4440  def __le__(self, *args):
4441  """
4442  __le__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
4443  __le__(RigidBodyDiffusion self, Particle d) -> bool
4444  """
4445  return _IMP_atom.RigidBodyDiffusion___le__(self, *args)
4446 
4447 
4448  def __lt__(self, *args):
4449  """
4450  __lt__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
4451  __lt__(RigidBodyDiffusion self, Particle d) -> bool
4452  """
4453  return _IMP_atom.RigidBodyDiffusion___lt__(self, *args)
4454 
4455 
4456  def __ge__(self, *args):
4457  """
4458  __ge__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
4459  __ge__(RigidBodyDiffusion self, Particle d) -> bool
4460  """
4461  return _IMP_atom.RigidBodyDiffusion___ge__(self, *args)
4462 
4463 
4464  def __gt__(self, *args):
4465  """
4466  __gt__(RigidBodyDiffusion self, RigidBodyDiffusion o) -> bool
4467  __gt__(RigidBodyDiffusion self, Particle d) -> bool
4468  """
4469  return _IMP_atom.RigidBodyDiffusion___gt__(self, *args)
4470 
4471 
4472  def __hash__(self):
4473  """__hash__(RigidBodyDiffusion self) -> std::size_t"""
4474  return _IMP_atom.RigidBodyDiffusion___hash__(self)
4475 
4476 
4477  def __str__(self):
4478  """__str__(RigidBodyDiffusion self) -> std::string"""
4479  return _IMP_atom.RigidBodyDiffusion___str__(self)
4480 
4481 
4482  def __repr__(self):
4483  """__repr__(RigidBodyDiffusion self) -> std::string"""
4484  return _IMP_atom.RigidBodyDiffusion___repr__(self)
4485 
4486  __swig_destroy__ = _IMP_atom.delete_RigidBodyDiffusion
4487  __del__ = lambda self: None
4488 RigidBodyDiffusion_swigregister = _IMP_atom.RigidBodyDiffusion_swigregister
4489 RigidBodyDiffusion_swigregister(RigidBodyDiffusion)
4490 
4491 def RigidBodyDiffusion_setup_particle(*args):
4492  """
4493  setup_particle(Model m, ParticleIndex pi) -> RigidBodyDiffusion
4494  RigidBodyDiffusion_setup_particle(_ParticleAdaptor decorator) -> RigidBodyDiffusion
4495  """
4496  return _IMP_atom.RigidBodyDiffusion_setup_particle(*args)
4497 
4498 def RigidBodyDiffusion_get_is_setup(*args):
4499  """
4500  get_is_setup(_ParticleAdaptor p) -> bool
4501  RigidBodyDiffusion_get_is_setup(Model m, ParticleIndex p) -> bool
4502  """
4503  return _IMP_atom.RigidBodyDiffusion_get_is_setup(*args)
4504 
4505 def RigidBodyDiffusion_get_rotational_diffusion_coefficient_key():
4506  """RigidBodyDiffusion_get_rotational_diffusion_coefficient_key() -> FloatKey"""
4507  return _IMP_atom.RigidBodyDiffusion_get_rotational_diffusion_coefficient_key()
4508 
4509 class TAMDParticle(IMP.Decorator):
4510  """Proxy of C++ IMP::atom::TAMDParticle class"""
4511  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
4512 
4513  def __init__(self, *args):
4514  """
4515  __init__(IMP::atom::TAMDParticle self) -> TAMDParticle
4516  __init__(IMP::atom::TAMDParticle self, Model m, ParticleIndex id) -> TAMDParticle
4517  __init__(IMP::atom::TAMDParticle self, _ParticleAdaptor d) -> TAMDParticle
4518  """
4519  this = _IMP_atom.new_TAMDParticle(*args)
4520  try:
4521  self.this.append(this)
4522  except:
4523  self.this = this
4524 
4525  def show(self, *args):
4526  """
4527  show(TAMDParticle self, _ostream out)
4528  show(TAMDParticle self)
4529  """
4530  return _IMP_atom.TAMDParticle_show(self, *args)
4531 
4532 
4533  def setup_particle(*args):
4534  """
4535  setup_particle(Model m, ParticleIndex pi, ParticleIndex pi_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4536  setup_particle(_ParticleAdaptor decorator, ParticleIndex pi_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4537  setup_particle(Model m, ParticleIndex pi, Particle p_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4538  setup_particle(_ParticleAdaptor decorator, Particle p_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4539  """
4540  return _IMP_atom.TAMDParticle_setup_particle(*args)
4541 
4542  setup_particle = staticmethod(setup_particle)
4543 
4544  def get_is_setup(*args):
4545  """
4546  get_is_setup(_ParticleAdaptor p) -> bool
4547  get_is_setup(Model m, ParticleIndex p) -> bool
4548  """
4549  return _IMP_atom.TAMDParticle_get_is_setup(*args)
4550 
4551  get_is_setup = staticmethod(get_is_setup)
4552 
4553  def get_reference_particle_index(self):
4554  """get_reference_particle_index(TAMDParticle self) -> ParticleIndex"""
4555  return _IMP_atom.TAMDParticle_get_reference_particle_index(self)
4556 
4557 
4558  def set_temperature_scale_factor(self, tsf):
4559  """set_temperature_scale_factor(TAMDParticle self, float tsf)"""
4560  return _IMP_atom.TAMDParticle_set_temperature_scale_factor(self, tsf)
4561 
4562 
4563  def get_temperature_scale_factor(self):
4564  """get_temperature_scale_factor(TAMDParticle self) -> double"""
4565  return _IMP_atom.TAMDParticle_get_temperature_scale_factor(self)
4566 
4567 
4568  def set_friction_scale_factor(self, tsf):
4569  """set_friction_scale_factor(TAMDParticle self, float tsf)"""
4570  return _IMP_atom.TAMDParticle_set_friction_scale_factor(self, tsf)
4571 
4572 
4573  def get_friction_scale_factor(self):
4574  """get_friction_scale_factor(TAMDParticle self) -> double"""
4575  return _IMP_atom.TAMDParticle_get_friction_scale_factor(self)
4576 
4577 
4578  def update_coordinates_from_ref(self):
4579  """update_coordinates_from_ref(TAMDParticle self)"""
4580  return _IMP_atom.TAMDParticle_update_coordinates_from_ref(self)
4581 
4582 
4583  def get_temperature_scale_factor_key():
4584  """get_temperature_scale_factor_key() -> FloatKey"""
4585  return _IMP_atom.TAMDParticle_get_temperature_scale_factor_key()
4586 
4587  get_temperature_scale_factor_key = staticmethod(get_temperature_scale_factor_key)
4588 
4589  def get_friction_scale_factor_key():
4590  """get_friction_scale_factor_key() -> FloatKey"""
4591  return _IMP_atom.TAMDParticle_get_friction_scale_factor_key()
4592 
4593  get_friction_scale_factor_key = staticmethod(get_friction_scale_factor_key)
4594 
4595  def get_reference_particle_index_key():
4596  """get_reference_particle_index_key() -> ParticleIndexKey"""
4597  return _IMP_atom.TAMDParticle_get_reference_particle_index_key()
4598 
4599  get_reference_particle_index_key = staticmethod(get_reference_particle_index_key)
4600 
4601  def add_attribute(self, *args):
4602  """
4603  add_attribute(TAMDParticle self, FloatKey k, IMP::Float v, bool opt)
4604  add_attribute(TAMDParticle self, FloatKey a0, IMP::Float a1)
4605  add_attribute(TAMDParticle self, IntKey a0, IMP::Int a1)
4606  add_attribute(TAMDParticle self, FloatsKey a0, IMP::Floats a1)
4607  add_attribute(TAMDParticle self, IntsKey a0, IMP::Ints a1)
4608  add_attribute(TAMDParticle self, StringKey a0, IMP::String a1)
4609  add_attribute(TAMDParticle self, ParticleIndexKey a0, Particle a1)
4610  add_attribute(TAMDParticle self, ObjectKey a0, Object a1)
4611  """
4612  return _IMP_atom.TAMDParticle_add_attribute(self, *args)
4613 
4614 
4615  def get_value(self, *args):
4616  """
4617  get_value(TAMDParticle self, FloatKey a0) -> IMP::Float
4618  get_value(TAMDParticle self, IntKey a0) -> IMP::Int
4619  get_value(TAMDParticle self, FloatsKey a0) -> IMP::Floats
4620  get_value(TAMDParticle self, IntsKey a0) -> IMP::Ints
4621  get_value(TAMDParticle self, StringKey a0) -> IMP::String
4622  get_value(TAMDParticle self, ParticleIndexKey a0) -> Particle
4623  get_value(TAMDParticle self, ObjectKey a0) -> Object
4624  """
4625  return _IMP_atom.TAMDParticle_get_value(self, *args)
4626 
4627 
4628  def set_value(self, *args):
4629  """
4630  set_value(TAMDParticle self, FloatKey a0, IMP::Float a1)
4631  set_value(TAMDParticle self, IntKey a0, IMP::Int a1)
4632  set_value(TAMDParticle self, FloatsKey a0, IMP::Floats a1)
4633  set_value(TAMDParticle self, IntsKey a0, IMP::Ints a1)
4634  set_value(TAMDParticle self, StringKey a0, IMP::String a1)
4635  set_value(TAMDParticle self, ParticleIndexKey a0, Particle a1)
4636  set_value(TAMDParticle self, ObjectKey a0, Object a1)
4637  """
4638  return _IMP_atom.TAMDParticle_set_value(self, *args)
4639 
4640 
4641  def remove_attribute(self, *args):
4642  """
4643  remove_attribute(TAMDParticle self, FloatKey a0)
4644  remove_attribute(TAMDParticle self, IntKey a0)
4645  remove_attribute(TAMDParticle self, FloatsKey a0)
4646  remove_attribute(TAMDParticle self, IntsKey a0)
4647  remove_attribute(TAMDParticle self, StringKey a0)
4648  remove_attribute(TAMDParticle self, ParticleIndexKey a0)
4649  remove_attribute(TAMDParticle self, ObjectKey a0)
4650  """
4651  return _IMP_atom.TAMDParticle_remove_attribute(self, *args)
4652 
4653 
4654  def has_attribute(self, *args):
4655  """
4656  has_attribute(TAMDParticle self, FloatKey a0) -> bool
4657  has_attribute(TAMDParticle self, IntKey a0) -> bool
4658  has_attribute(TAMDParticle self, FloatsKey a0) -> bool
4659  has_attribute(TAMDParticle self, IntsKey a0) -> bool
4660  has_attribute(TAMDParticle self, StringKey a0) -> bool
4661  has_attribute(TAMDParticle self, ParticleIndexKey a0) -> bool
4662  has_attribute(TAMDParticle self, ObjectKey a0) -> bool
4663  """
4664  return _IMP_atom.TAMDParticle_has_attribute(self, *args)
4665 
4666 
4667  def get_derivative(self, a0):
4668  """get_derivative(TAMDParticle self, FloatKey a0) -> double"""
4669  return _IMP_atom.TAMDParticle_get_derivative(self, a0)
4670 
4671 
4672  def get_name(self):
4673  """get_name(TAMDParticle self) -> std::string"""
4674  return _IMP_atom.TAMDParticle_get_name(self)
4675 
4676 
4677  def clear_caches(self):
4678  """clear_caches(TAMDParticle self)"""
4679  return _IMP_atom.TAMDParticle_clear_caches(self)
4680 
4681 
4682  def set_name(self, a0):
4683  """set_name(TAMDParticle self, std::string a0)"""
4684  return _IMP_atom.TAMDParticle_set_name(self, a0)
4685 
4686 
4687  def set_check_level(self, a0):
4688  """set_check_level(TAMDParticle self, IMP::CheckLevel a0)"""
4689  return _IMP_atom.TAMDParticle_set_check_level(self, a0)
4690 
4691 
4692  def add_to_derivative(self, a0, a1, a2):
4693  """add_to_derivative(TAMDParticle self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4694  return _IMP_atom.TAMDParticle_add_to_derivative(self, a0, a1, a2)
4695 
4696 
4697  def set_is_optimized(self, a0, a1):
4698  """set_is_optimized(TAMDParticle self, FloatKey a0, bool a1)"""
4699  return _IMP_atom.TAMDParticle_set_is_optimized(self, a0, a1)
4700 
4701 
4702  def get_is_optimized(self, a0):
4703  """get_is_optimized(TAMDParticle self, FloatKey a0) -> bool"""
4704  return _IMP_atom.TAMDParticle_get_is_optimized(self, a0)
4705 
4706 
4707  def get_check_level(self):
4708  """get_check_level(TAMDParticle self) -> IMP::CheckLevel"""
4709  return _IMP_atom.TAMDParticle_get_check_level(self)
4710 
4711 
4712  def __eq__(self, *args):
4713  """
4714  __eq__(TAMDParticle self, TAMDParticle o) -> bool
4715  __eq__(TAMDParticle self, Particle d) -> bool
4716  """
4717  return _IMP_atom.TAMDParticle___eq__(self, *args)
4718 
4719 
4720  def __ne__(self, *args):
4721  """
4722  __ne__(TAMDParticle self, TAMDParticle o) -> bool
4723  __ne__(TAMDParticle self, Particle d) -> bool
4724  """
4725  return _IMP_atom.TAMDParticle___ne__(self, *args)
4726 
4727 
4728  def __le__(self, *args):
4729  """
4730  __le__(TAMDParticle self, TAMDParticle o) -> bool
4731  __le__(TAMDParticle self, Particle d) -> bool
4732  """
4733  return _IMP_atom.TAMDParticle___le__(self, *args)
4734 
4735 
4736  def __lt__(self, *args):
4737  """
4738  __lt__(TAMDParticle self, TAMDParticle o) -> bool
4739  __lt__(TAMDParticle self, Particle d) -> bool
4740  """
4741  return _IMP_atom.TAMDParticle___lt__(self, *args)
4742 
4743 
4744  def __ge__(self, *args):
4745  """
4746  __ge__(TAMDParticle self, TAMDParticle o) -> bool
4747  __ge__(TAMDParticle self, Particle d) -> bool
4748  """
4749  return _IMP_atom.TAMDParticle___ge__(self, *args)
4750 
4751 
4752  def __gt__(self, *args):
4753  """
4754  __gt__(TAMDParticle self, TAMDParticle o) -> bool
4755  __gt__(TAMDParticle self, Particle d) -> bool
4756  """
4757  return _IMP_atom.TAMDParticle___gt__(self, *args)
4758 
4759 
4760  def __hash__(self):
4761  """__hash__(TAMDParticle self) -> std::size_t"""
4762  return _IMP_atom.TAMDParticle___hash__(self)
4763 
4764 
4765  def __str__(self):
4766  """__str__(TAMDParticle self) -> std::string"""
4767  return _IMP_atom.TAMDParticle___str__(self)
4768 
4769 
4770  def __repr__(self):
4771  """__repr__(TAMDParticle self) -> std::string"""
4772  return _IMP_atom.TAMDParticle___repr__(self)
4773 
4774  __swig_destroy__ = _IMP_atom.delete_TAMDParticle
4775  __del__ = lambda self: None
4776 TAMDParticle_swigregister = _IMP_atom.TAMDParticle_swigregister
4777 TAMDParticle_swigregister(TAMDParticle)
4778 
4779 def TAMDParticle_setup_particle(*args):
4780  """
4781  setup_particle(Model m, ParticleIndex pi, ParticleIndex pi_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4782  setup_particle(_ParticleAdaptor decorator, ParticleIndex pi_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4783  setup_particle(Model m, ParticleIndex pi, Particle p_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4784  TAMDParticle_setup_particle(_ParticleAdaptor decorator, Particle p_ref, IMP::Float tsf, IMP::Float fsf) -> TAMDParticle
4785  """
4786  return _IMP_atom.TAMDParticle_setup_particle(*args)
4787 
4788 def TAMDParticle_get_is_setup(*args):
4789  """
4790  get_is_setup(_ParticleAdaptor p) -> bool
4791  TAMDParticle_get_is_setup(Model m, ParticleIndex p) -> bool
4792  """
4793  return _IMP_atom.TAMDParticle_get_is_setup(*args)
4794 
4795 def TAMDParticle_get_temperature_scale_factor_key():
4796  """TAMDParticle_get_temperature_scale_factor_key() -> FloatKey"""
4797  return _IMP_atom.TAMDParticle_get_temperature_scale_factor_key()
4798 
4799 def TAMDParticle_get_friction_scale_factor_key():
4800  """TAMDParticle_get_friction_scale_factor_key() -> FloatKey"""
4801  return _IMP_atom.TAMDParticle_get_friction_scale_factor_key()
4802 
4803 def TAMDParticle_get_reference_particle_index_key():
4804  """TAMDParticle_get_reference_particle_index_key() -> ParticleIndexKey"""
4805  return _IMP_atom.TAMDParticle_get_reference_particle_index_key()
4806 
4807 class Chain(Hierarchy):
4808  """Proxy of C++ IMP::atom::Chain class"""
4809  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
4810 
4811  def __init__(self, *args):
4812  """
4813  __init__(IMP::atom::Chain self) -> Chain
4814  __init__(IMP::atom::Chain self, Model m, ParticleIndex id) -> Chain
4815  __init__(IMP::atom::Chain self, _ParticleAdaptor d) -> Chain
4816  """
4817  this = _IMP_atom.new_Chain(*args)
4818  try:
4819  self.this.append(this)
4820  except:
4821  self.this = this
4822 
4823  def show(self, *args):
4824  """
4825  show(Chain self, _ostream out)
4826  show(Chain self)
4827  """
4828  return _IMP_atom.Chain_show(self, *args)
4829 
4830 
4831  def setup_particle(*args):
4832  """
4833  setup_particle(Model m, ParticleIndex pi, std::string id) -> Chain
4834  setup_particle(_ParticleAdaptor decorator, std::string id) -> Chain
4835  setup_particle(Model m, ParticleIndex pi, char id) -> Chain
4836  setup_particle(_ParticleAdaptor decorator, char id) -> Chain
4837  setup_particle(Model m, ParticleIndex pi, Chain other) -> Chain
4838  setup_particle(_ParticleAdaptor decorator, Chain other) -> Chain
4839  """
4840  return _IMP_atom.Chain_setup_particle(*args)
4841 
4842  setup_particle = staticmethod(setup_particle)
4843 
4844  def get_is_setup(*args):
4845  """
4846  get_is_setup(_ParticleAdaptor p) -> bool
4847  get_is_setup(Model m, ParticleIndex pi) -> bool
4848  """
4849  return _IMP_atom.Chain_get_is_setup(*args)
4850 
4851  get_is_setup = staticmethod(get_is_setup)
4852 
4853  def get_id(self):
4854  """get_id(Chain self) -> std::string"""
4855  return _IMP_atom.Chain_get_id(self)
4856 
4857 
4858  def set_id(self, c):
4859  """set_id(Chain self, std::string c)"""
4860  return _IMP_atom.Chain_set_id(self, c)
4861 
4862 
4863  def get_sequence(self):
4864  """get_sequence(Chain self) -> std::string"""
4865  return _IMP_atom.Chain_get_sequence(self)
4866 
4867 
4868  def set_sequence(self, sequence):
4869  """set_sequence(Chain self, std::string sequence)"""
4870  return _IMP_atom.Chain_set_sequence(self, sequence)
4871 
4872 
4873  def get_chain_type(self):
4874  """get_chain_type(Chain self) -> ChainType"""
4875  return _IMP_atom.Chain_get_chain_type(self)
4876 
4877 
4878  def set_chain_type(self, t):
4879  """set_chain_type(Chain self, ChainType t)"""
4880  return _IMP_atom.Chain_set_chain_type(self, t)
4881 
4882 
4883  def get_id_key():
4884  """get_id_key() -> StringKey"""
4885  return _IMP_atom.Chain_get_id_key()
4886 
4887  get_id_key = staticmethod(get_id_key)
4888 
4889  def get_sequence_key():
4890  """get_sequence_key() -> StringKey"""
4891  return _IMP_atom.Chain_get_sequence_key()
4892 
4893  get_sequence_key = staticmethod(get_sequence_key)
4894 
4895  def get_chain_type_key():
4896  """get_chain_type_key() -> IntKey"""
4897  return _IMP_atom.Chain_get_chain_type_key()
4898 
4899  get_chain_type_key = staticmethod(get_chain_type_key)
4900 
4901  def add_attribute(self, *args):
4902  """
4903  add_attribute(Chain self, FloatKey k, IMP::Float v, bool opt)
4904  add_attribute(Chain self, FloatKey a0, IMP::Float a1)
4905  add_attribute(Chain self, IntKey a0, IMP::Int a1)
4906  add_attribute(Chain self, FloatsKey a0, IMP::Floats a1)
4907  add_attribute(Chain self, IntsKey a0, IMP::Ints a1)
4908  add_attribute(Chain self, StringKey a0, IMP::String a1)
4909  add_attribute(Chain self, ParticleIndexKey a0, Particle a1)
4910  add_attribute(Chain self, ObjectKey a0, Object a1)
4911  """
4912  return _IMP_atom.Chain_add_attribute(self, *args)
4913 
4914 
4915  def get_value(self, *args):
4916  """
4917  get_value(Chain self, FloatKey a0) -> IMP::Float
4918  get_value(Chain self, IntKey a0) -> IMP::Int
4919  get_value(Chain self, FloatsKey a0) -> IMP::Floats
4920  get_value(Chain self, IntsKey a0) -> IMP::Ints
4921  get_value(Chain self, StringKey a0) -> IMP::String
4922  get_value(Chain self, ParticleIndexKey a0) -> Particle
4923  get_value(Chain self, ObjectKey a0) -> Object
4924  """
4925  return _IMP_atom.Chain_get_value(self, *args)
4926 
4927 
4928  def set_value(self, *args):
4929  """
4930  set_value(Chain self, FloatKey a0, IMP::Float a1)
4931  set_value(Chain self, IntKey a0, IMP::Int a1)
4932  set_value(Chain self, FloatsKey a0, IMP::Floats a1)
4933  set_value(Chain self, IntsKey a0, IMP::Ints a1)
4934  set_value(Chain self, StringKey a0, IMP::String a1)
4935  set_value(Chain self, ParticleIndexKey a0, Particle a1)
4936  set_value(Chain self, ObjectKey a0, Object a1)
4937  """
4938  return _IMP_atom.Chain_set_value(self, *args)
4939 
4940 
4941  def remove_attribute(self, *args):
4942  """
4943  remove_attribute(Chain self, FloatKey a0)
4944  remove_attribute(Chain self, IntKey a0)
4945  remove_attribute(Chain self, FloatsKey a0)
4946  remove_attribute(Chain self, IntsKey a0)
4947  remove_attribute(Chain self, StringKey a0)
4948  remove_attribute(Chain self, ParticleIndexKey a0)
4949  remove_attribute(Chain self, ObjectKey a0)
4950  """
4951  return _IMP_atom.Chain_remove_attribute(self, *args)
4952 
4953 
4954  def has_attribute(self, *args):
4955  """
4956  has_attribute(Chain self, FloatKey a0) -> bool
4957  has_attribute(Chain self, IntKey a0) -> bool
4958  has_attribute(Chain self, FloatsKey a0) -> bool
4959  has_attribute(Chain self, IntsKey a0) -> bool
4960  has_attribute(Chain self, StringKey a0) -> bool
4961  has_attribute(Chain self, ParticleIndexKey a0) -> bool
4962  has_attribute(Chain self, ObjectKey a0) -> bool
4963  """
4964  return _IMP_atom.Chain_has_attribute(self, *args)
4965 
4966 
4967  def get_derivative(self, a0):
4968  """get_derivative(Chain self, FloatKey a0) -> double"""
4969  return _IMP_atom.Chain_get_derivative(self, a0)
4970 
4971 
4972  def get_name(self):
4973  """get_name(Chain self) -> std::string"""
4974  return _IMP_atom.Chain_get_name(self)
4975 
4976 
4977  def clear_caches(self):
4978  """clear_caches(Chain self)"""
4979  return _IMP_atom.Chain_clear_caches(self)
4980 
4981 
4982  def set_name(self, a0):
4983  """set_name(Chain self, std::string a0)"""
4984  return _IMP_atom.Chain_set_name(self, a0)
4985 
4986 
4987  def set_check_level(self, a0):
4988  """set_check_level(Chain self, IMP::CheckLevel a0)"""
4989  return _IMP_atom.Chain_set_check_level(self, a0)
4990 
4991 
4992  def add_to_derivative(self, a0, a1, a2):
4993  """add_to_derivative(Chain self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
4994  return _IMP_atom.Chain_add_to_derivative(self, a0, a1, a2)
4995 
4996 
4997  def set_is_optimized(self, a0, a1):
4998  """set_is_optimized(Chain self, FloatKey a0, bool a1)"""
4999  return _IMP_atom.Chain_set_is_optimized(self, a0, a1)
5000 
5001 
5002  def get_is_optimized(self, a0):
5003  """get_is_optimized(Chain self, FloatKey a0) -> bool"""
5004  return _IMP_atom.Chain_get_is_optimized(self, a0)
5005 
5006 
5007  def get_check_level(self):
5008  """get_check_level(Chain self) -> IMP::CheckLevel"""
5009  return _IMP_atom.Chain_get_check_level(self)
5010 
5011 
5012  def __eq__(self, *args):
5013  """
5014  __eq__(Chain self, Chain o) -> bool
5015  __eq__(Chain self, Particle d) -> bool
5016  """
5017  return _IMP_atom.Chain___eq__(self, *args)
5018 
5019 
5020  def __ne__(self, *args):
5021  """
5022  __ne__(Chain self, Chain o) -> bool
5023  __ne__(Chain self, Particle d) -> bool
5024  """
5025  return _IMP_atom.Chain___ne__(self, *args)
5026 
5027 
5028  def __le__(self, *args):
5029  """
5030  __le__(Chain self, Chain o) -> bool
5031  __le__(Chain self, Particle d) -> bool
5032  """
5033  return _IMP_atom.Chain___le__(self, *args)
5034 
5035 
5036  def __lt__(self, *args):
5037  """
5038  __lt__(Chain self, Chain o) -> bool
5039  __lt__(Chain self, Particle d) -> bool
5040  """
5041  return _IMP_atom.Chain___lt__(self, *args)
5042 
5043 
5044  def __ge__(self, *args):
5045  """
5046  __ge__(Chain self, Chain o) -> bool
5047  __ge__(Chain self, Particle d) -> bool
5048  """
5049  return _IMP_atom.Chain___ge__(self, *args)
5050 
5051 
5052  def __gt__(self, *args):
5053  """
5054  __gt__(Chain self, Chain o) -> bool
5055  __gt__(Chain self, Particle d) -> bool
5056  """
5057  return _IMP_atom.Chain___gt__(self, *args)
5058 
5059 
5060  def __hash__(self):
5061  """__hash__(Chain self) -> std::size_t"""
5062  return _IMP_atom.Chain___hash__(self)
5063 
5064 
5065  def __str__(self):
5066  """__str__(Chain self) -> std::string"""
5067  return _IMP_atom.Chain___str__(self)
5068 
5069 
5070  def __repr__(self):
5071  """__repr__(Chain self) -> std::string"""
5072  return _IMP_atom.Chain___repr__(self)
5073 
5074  __swig_destroy__ = _IMP_atom.delete_Chain
5075  __del__ = lambda self: None
5076 Chain_swigregister = _IMP_atom.Chain_swigregister
5077 Chain_swigregister(Chain)
5078 cvar = _IMP_atom.cvar
5079 UnknownChainType = cvar.UnknownChainType
5080 DPolypeptide = cvar.DPolypeptide
5081 LPolypeptide = cvar.LPolypeptide
5082 Polydeoxyribonucleotide = cvar.Polydeoxyribonucleotide
5083 Polyribonucleotide = cvar.Polyribonucleotide
5084 DPolysaccharide = cvar.DPolysaccharide
5085 LPolysaccharide = cvar.LPolysaccharide
5086 Protein = cvar.Protein
5087 DNA = cvar.DNA
5088 RNA = cvar.RNA
5089 
5090 def Chain_setup_particle(*args):
5091  """
5092  setup_particle(Model m, ParticleIndex pi, std::string id) -> Chain
5093  setup_particle(_ParticleAdaptor decorator, std::string id) -> Chain
5094  setup_particle(Model m, ParticleIndex pi, char id) -> Chain
5095  setup_particle(_ParticleAdaptor decorator, char id) -> Chain
5096  setup_particle(Model m, ParticleIndex pi, Chain other) -> Chain
5097  Chain_setup_particle(_ParticleAdaptor decorator, Chain other) -> Chain
5098  """
5099  return _IMP_atom.Chain_setup_particle(*args)
5100 
5101 def Chain_get_is_setup(*args):
5102  """
5103  get_is_setup(_ParticleAdaptor p) -> bool
5104  Chain_get_is_setup(Model m, ParticleIndex pi) -> bool
5105  """
5106  return _IMP_atom.Chain_get_is_setup(*args)
5107 
5108 def Chain_get_id_key():
5109  """Chain_get_id_key() -> StringKey"""
5110  return _IMP_atom.Chain_get_id_key()
5111 
5112 def Chain_get_sequence_key():
5113  """Chain_get_sequence_key() -> StringKey"""
5114  return _IMP_atom.Chain_get_sequence_key()
5115 
5116 def Chain_get_chain_type_key():
5117  """Chain_get_chain_type_key() -> IntKey"""
5118  return _IMP_atom.Chain_get_chain_type_key()
5119 
5120 
5121 def get_chain(h):
5122  """get_chain(Hierarchy h) -> Chain"""
5123  return _IMP_atom.get_chain(h)
5124 
5125 def get_chain_id(h):
5126  """get_chain_id(Hierarchy h) -> std::string"""
5127  return _IMP_atom.get_chain_id(h)
5128 class Charged(IMP.core.XYZ):
5129  """Proxy of C++ IMP::atom::Charged class"""
5130  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5131 
5132  def __init__(self, *args):
5133  """
5134  __init__(IMP::atom::Charged self) -> Charged
5135  __init__(IMP::atom::Charged self, Model m, ParticleIndex id) -> Charged
5136  __init__(IMP::atom::Charged self, _ParticleAdaptor d) -> Charged
5137  """
5138  this = _IMP_atom.new_Charged(*args)
5139  try:
5140  self.this.append(this)
5141  except:
5142  self.this = this
5143 
5144  def show(self, *args):
5145  """
5146  show(Charged self, _ostream out)
5147  show(Charged self)
5148  """
5149  return _IMP_atom.Charged_show(self, *args)
5150 
5151 
5152  def setup_particle(*args):
5153  """
5154  setup_particle(Model m, ParticleIndex pi, IMP::Float charge) -> Charged
5155  setup_particle(_ParticleAdaptor decorator, IMP::Float charge) -> Charged
5156  setup_particle(Model m, ParticleIndex pi, Vector3D v, IMP::Float charge) -> Charged
5157  setup_particle(_ParticleAdaptor decorator, Vector3D v, IMP::Float charge) -> Charged
5158  """
5159  return _IMP_atom.Charged_setup_particle(*args)
5160 
5161  setup_particle = staticmethod(setup_particle)
5162 
5163  def get_charge(self):
5164  """get_charge(Charged self) -> IMP::Float"""
5165  return _IMP_atom.Charged_get_charge(self)
5166 
5167 
5168  def set_charge(self, t):
5169  """set_charge(Charged self, IMP::Float t)"""
5170  return _IMP_atom.Charged_set_charge(self, t)
5171 
5172 
5173  def get_is_setup(*args):
5174  """
5175  get_is_setup(_ParticleAdaptor p) -> bool
5176  get_is_setup(Model m, ParticleIndex pi) -> bool
5177  """
5178  return _IMP_atom.Charged_get_is_setup(*args)
5179 
5180  get_is_setup = staticmethod(get_is_setup)
5181 
5182  def get_charge_key():
5183  """get_charge_key() -> FloatKey"""
5184  return _IMP_atom.Charged_get_charge_key()
5185 
5186  get_charge_key = staticmethod(get_charge_key)
5187 
5188  def add_attribute(self, *args):
5189  """
5190  add_attribute(Charged self, FloatKey k, IMP::Float v, bool opt)
5191  add_attribute(Charged self, FloatKey a0, IMP::Float a1)
5192  add_attribute(Charged self, IntKey a0, IMP::Int a1)
5193  add_attribute(Charged self, FloatsKey a0, IMP::Floats a1)
5194  add_attribute(Charged self, IntsKey a0, IMP::Ints a1)
5195  add_attribute(Charged self, StringKey a0, IMP::String a1)
5196  add_attribute(Charged self, ParticleIndexKey a0, Particle a1)
5197  add_attribute(Charged self, ObjectKey a0, Object a1)
5198  """
5199  return _IMP_atom.Charged_add_attribute(self, *args)
5200 
5201 
5202  def get_value(self, *args):
5203  """
5204  get_value(Charged self, FloatKey a0) -> IMP::Float
5205  get_value(Charged self, IntKey a0) -> IMP::Int
5206  get_value(Charged self, FloatsKey a0) -> IMP::Floats
5207  get_value(Charged self, IntsKey a0) -> IMP::Ints
5208  get_value(Charged self, StringKey a0) -> IMP::String
5209  get_value(Charged self, ParticleIndexKey a0) -> Particle
5210  get_value(Charged self, ObjectKey a0) -> Object
5211  """
5212  return _IMP_atom.Charged_get_value(self, *args)
5213 
5214 
5215  def set_value(self, *args):
5216  """
5217  set_value(Charged self, FloatKey a0, IMP::Float a1)
5218  set_value(Charged self, IntKey a0, IMP::Int a1)
5219  set_value(Charged self, FloatsKey a0, IMP::Floats a1)
5220  set_value(Charged self, IntsKey a0, IMP::Ints a1)
5221  set_value(Charged self, StringKey a0, IMP::String a1)
5222  set_value(Charged self, ParticleIndexKey a0, Particle a1)
5223  set_value(Charged self, ObjectKey a0, Object a1)
5224  """
5225  return _IMP_atom.Charged_set_value(self, *args)
5226 
5227 
5228  def remove_attribute(self, *args):
5229  """
5230  remove_attribute(Charged self, FloatKey a0)
5231  remove_attribute(Charged self, IntKey a0)
5232  remove_attribute(Charged self, FloatsKey a0)
5233  remove_attribute(Charged self, IntsKey a0)
5234  remove_attribute(Charged self, StringKey a0)
5235  remove_attribute(Charged self, ParticleIndexKey a0)
5236  remove_attribute(Charged self, ObjectKey a0)
5237  """
5238  return _IMP_atom.Charged_remove_attribute(self, *args)
5239 
5240 
5241  def has_attribute(self, *args):
5242  """
5243  has_attribute(Charged self, FloatKey a0) -> bool
5244  has_attribute(Charged self, IntKey a0) -> bool
5245  has_attribute(Charged self, FloatsKey a0) -> bool
5246  has_attribute(Charged self, IntsKey a0) -> bool
5247  has_attribute(Charged self, StringKey a0) -> bool
5248  has_attribute(Charged self, ParticleIndexKey a0) -> bool
5249  has_attribute(Charged self, ObjectKey a0) -> bool
5250  """
5251  return _IMP_atom.Charged_has_attribute(self, *args)
5252 
5253 
5254  def get_derivative(self, a0):
5255  """get_derivative(Charged self, FloatKey a0) -> double"""
5256  return _IMP_atom.Charged_get_derivative(self, a0)
5257 
5258 
5259  def get_name(self):
5260  """get_name(Charged self) -> std::string"""
5261  return _IMP_atom.Charged_get_name(self)
5262 
5263 
5264  def clear_caches(self):
5265  """clear_caches(Charged self)"""
5266  return _IMP_atom.Charged_clear_caches(self)
5267 
5268 
5269  def set_name(self, a0):
5270  """set_name(Charged self, std::string a0)"""
5271  return _IMP_atom.Charged_set_name(self, a0)
5272 
5273 
5274  def set_check_level(self, a0):
5275  """set_check_level(Charged self, IMP::CheckLevel a0)"""
5276  return _IMP_atom.Charged_set_check_level(self, a0)
5277 
5278 
5279  def add_to_derivative(self, a0, a1, a2):
5280  """add_to_derivative(Charged self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5281  return _IMP_atom.Charged_add_to_derivative(self, a0, a1, a2)
5282 
5283 
5284  def set_is_optimized(self, a0, a1):
5285  """set_is_optimized(Charged self, FloatKey a0, bool a1)"""
5286  return _IMP_atom.Charged_set_is_optimized(self, a0, a1)
5287 
5288 
5289  def get_is_optimized(self, a0):
5290  """get_is_optimized(Charged self, FloatKey a0) -> bool"""
5291  return _IMP_atom.Charged_get_is_optimized(self, a0)
5292 
5293 
5294  def get_check_level(self):
5295  """get_check_level(Charged self) -> IMP::CheckLevel"""
5296  return _IMP_atom.Charged_get_check_level(self)
5297 
5298 
5299  def __eq__(self, *args):
5300  """
5301  __eq__(Charged self, Charged o) -> bool
5302  __eq__(Charged self, Particle d) -> bool
5303  """
5304  return _IMP_atom.Charged___eq__(self, *args)
5305 
5306 
5307  def __ne__(self, *args):
5308  """
5309  __ne__(Charged self, Charged o) -> bool
5310  __ne__(Charged self, Particle d) -> bool
5311  """
5312  return _IMP_atom.Charged___ne__(self, *args)
5313 
5314 
5315  def __le__(self, *args):
5316  """
5317  __le__(Charged self, Charged o) -> bool
5318  __le__(Charged self, Particle d) -> bool
5319  """
5320  return _IMP_atom.Charged___le__(self, *args)
5321 
5322 
5323  def __lt__(self, *args):
5324  """
5325  __lt__(Charged self, Charged o) -> bool
5326  __lt__(Charged self, Particle d) -> bool
5327  """
5328  return _IMP_atom.Charged___lt__(self, *args)
5329 
5330 
5331  def __ge__(self, *args):
5332  """
5333  __ge__(Charged self, Charged o) -> bool
5334  __ge__(Charged self, Particle d) -> bool
5335  """
5336  return _IMP_atom.Charged___ge__(self, *args)
5337 
5338 
5339  def __gt__(self, *args):
5340  """
5341  __gt__(Charged self, Charged o) -> bool
5342  __gt__(Charged self, Particle d) -> bool
5343  """
5344  return _IMP_atom.Charged___gt__(self, *args)
5345 
5346 
5347  def __hash__(self):
5348  """__hash__(Charged self) -> std::size_t"""
5349  return _IMP_atom.Charged___hash__(self)
5350 
5351 
5352  def __str__(self):
5353  """__str__(Charged self) -> std::string"""
5354  return _IMP_atom.Charged___str__(self)
5355 
5356 
5357  def __repr__(self):
5358  """__repr__(Charged self) -> std::string"""
5359  return _IMP_atom.Charged___repr__(self)
5360 
5361  __swig_destroy__ = _IMP_atom.delete_Charged
5362  __del__ = lambda self: None
5363 Charged_swigregister = _IMP_atom.Charged_swigregister
5364 Charged_swigregister(Charged)
5365 
5366 def Charged_setup_particle(*args):
5367  """
5368  setup_particle(Model m, ParticleIndex pi, IMP::Float charge) -> Charged
5369  setup_particle(_ParticleAdaptor decorator, IMP::Float charge) -> Charged
5370  setup_particle(Model m, ParticleIndex pi, Vector3D v, IMP::Float charge) -> Charged
5371  Charged_setup_particle(_ParticleAdaptor decorator, Vector3D v, IMP::Float charge) -> Charged
5372  """
5373  return _IMP_atom.Charged_setup_particle(*args)
5374 
5375 def Charged_get_is_setup(*args):
5376  """
5377  get_is_setup(_ParticleAdaptor p) -> bool
5378  Charged_get_is_setup(Model m, ParticleIndex pi) -> bool
5379  """
5380  return _IMP_atom.Charged_get_is_setup(*args)
5381 
5382 def Charged_get_charge_key():
5383  """Charged_get_charge_key() -> FloatKey"""
5384  return _IMP_atom.Charged_get_charge_key()
5385 
5386 class CoulombPairScore(IMP.PairScore):
5387  """Proxy of C++ IMP::atom::CoulombPairScore class"""
5388  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5389 
5390  def __init__(self, f):
5391  """__init__(IMP::atom::CoulombPairScore self, SmoothingFunction f) -> CoulombPairScore"""
5392  this = _IMP_atom.new_CoulombPairScore(f)
5393  try:
5394  self.this.append(this)
5395  except:
5396  self.this = this
5397 
5398  def set_relative_dielectric(self, relative_dielectric):
5399  """set_relative_dielectric(CoulombPairScore self, double relative_dielectric)"""
5400  return _IMP_atom.CoulombPairScore_set_relative_dielectric(self, relative_dielectric)
5401 
5402 
5403  def get_relative_dielectric(self):
5404  """get_relative_dielectric(CoulombPairScore self) -> double"""
5405  return _IMP_atom.CoulombPairScore_get_relative_dielectric(self)
5406 
5407 
5408  def do_get_inputs(self, m, pis):
5409  """do_get_inputs(CoulombPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5410  return _IMP_atom.CoulombPairScore_do_get_inputs(self, m, pis)
5411 
5412 
5413  def get_version_info(self):
5414  """get_version_info(CoulombPairScore self) -> VersionInfo"""
5415  return _IMP_atom.CoulombPairScore_get_version_info(self)
5416 
5417 
5418  def __str__(self):
5419  """__str__(CoulombPairScore self) -> std::string"""
5420  return _IMP_atom.CoulombPairScore___str__(self)
5421 
5422 
5423  def __repr__(self):
5424  """__repr__(CoulombPairScore self) -> std::string"""
5425  return _IMP_atom.CoulombPairScore___repr__(self)
5426 
5427 
5428  @staticmethod
5429  def get_from(o):
5430  return _object_cast_to_CoulombPairScore(o)
5431 
5432 CoulombPairScore_swigregister = _IMP_atom.CoulombPairScore_swigregister
5433 CoulombPairScore_swigregister(CoulombPairScore)
5434 
5435 class Domain(Hierarchy):
5436  """Proxy of C++ IMP::atom::Domain class"""
5437  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5438 
5439  def set_index_range(self, ir):
5440  """set_index_range(Domain self, IMP::IntRange ir)"""
5441  return _IMP_atom.Domain_set_index_range(self, ir)
5442 
5443 
5444  def get_index_range(self):
5445  """get_index_range(Domain self) -> IMP::IntRange"""
5446  return _IMP_atom.Domain_get_index_range(self)
5447 
5448 
5449  def __init__(self, *args):
5450  """
5451  __init__(IMP::atom::Domain self) -> Domain
5452  __init__(IMP::atom::Domain self, Model m, ParticleIndex id) -> Domain
5453  __init__(IMP::atom::Domain self, _ParticleAdaptor d) -> Domain
5454  """
5455  this = _IMP_atom.new_Domain(*args)
5456  try:
5457  self.this.append(this)
5458  except:
5459  self.this = this
5460 
5461  def get_is_setup(*args):
5462  """
5463  get_is_setup(Model m, ParticleIndex pi) -> bool
5464  get_is_setup(_ParticleAdaptor p) -> bool
5465  """
5466  return _IMP_atom.Domain_get_is_setup(*args)
5467 
5468  get_is_setup = staticmethod(get_is_setup)
5469 
5470  def show(self, *args):
5471  """
5472  show(Domain self, _ostream out)
5473  show(Domain self)
5474  """
5475  return _IMP_atom.Domain_show(self, *args)
5476 
5477 
5478  def setup_particle(*args):
5479  """
5480  setup_particle(Model m, ParticleIndex pi, Domain other) -> Domain
5481  setup_particle(_ParticleAdaptor decorator, Domain other) -> Domain
5482  setup_particle(Model m, ParticleIndex pi, IMP::IntRange residues) -> Domain
5483  setup_particle(_ParticleAdaptor decorator, IMP::IntRange residues) -> Domain
5484  """
5485  return _IMP_atom.Domain_setup_particle(*args)
5486 
5487  setup_particle = staticmethod(setup_particle)
5488 
5489  def add_attribute(self, *args):
5490  """
5491  add_attribute(Domain self, FloatKey k, IMP::Float v, bool opt)
5492  add_attribute(Domain self, FloatKey a0, IMP::Float a1)
5493  add_attribute(Domain self, IntKey a0, IMP::Int a1)
5494  add_attribute(Domain self, FloatsKey a0, IMP::Floats a1)
5495  add_attribute(Domain self, IntsKey a0, IMP::Ints a1)
5496  add_attribute(Domain self, StringKey a0, IMP::String a1)
5497  add_attribute(Domain self, ParticleIndexKey a0, Particle a1)
5498  add_attribute(Domain self, ObjectKey a0, Object a1)
5499  """
5500  return _IMP_atom.Domain_add_attribute(self, *args)
5501 
5502 
5503  def get_value(self, *args):
5504  """
5505  get_value(Domain self, FloatKey a0) -> IMP::Float
5506  get_value(Domain self, IntKey a0) -> IMP::Int
5507  get_value(Domain self, FloatsKey a0) -> IMP::Floats
5508  get_value(Domain self, IntsKey a0) -> IMP::Ints
5509  get_value(Domain self, StringKey a0) -> IMP::String
5510  get_value(Domain self, ParticleIndexKey a0) -> Particle
5511  get_value(Domain self, ObjectKey a0) -> Object
5512  """
5513  return _IMP_atom.Domain_get_value(self, *args)
5514 
5515 
5516  def set_value(self, *args):
5517  """
5518  set_value(Domain self, FloatKey a0, IMP::Float a1)
5519  set_value(Domain self, IntKey a0, IMP::Int a1)
5520  set_value(Domain self, FloatsKey a0, IMP::Floats a1)
5521  set_value(Domain self, IntsKey a0, IMP::Ints a1)
5522  set_value(Domain self, StringKey a0, IMP::String a1)
5523  set_value(Domain self, ParticleIndexKey a0, Particle a1)
5524  set_value(Domain self, ObjectKey a0, Object a1)
5525  """
5526  return _IMP_atom.Domain_set_value(self, *args)
5527 
5528 
5529  def remove_attribute(self, *args):
5530  """
5531  remove_attribute(Domain self, FloatKey a0)
5532  remove_attribute(Domain self, IntKey a0)
5533  remove_attribute(Domain self, FloatsKey a0)
5534  remove_attribute(Domain self, IntsKey a0)
5535  remove_attribute(Domain self, StringKey a0)
5536  remove_attribute(Domain self, ParticleIndexKey a0)
5537  remove_attribute(Domain self, ObjectKey a0)
5538  """
5539  return _IMP_atom.Domain_remove_attribute(self, *args)
5540 
5541 
5542  def has_attribute(self, *args):
5543  """
5544  has_attribute(Domain self, FloatKey a0) -> bool
5545  has_attribute(Domain self, IntKey a0) -> bool
5546  has_attribute(Domain self, FloatsKey a0) -> bool
5547  has_attribute(Domain self, IntsKey a0) -> bool
5548  has_attribute(Domain self, StringKey a0) -> bool
5549  has_attribute(Domain self, ParticleIndexKey a0) -> bool
5550  has_attribute(Domain self, ObjectKey a0) -> bool
5551  """
5552  return _IMP_atom.Domain_has_attribute(self, *args)
5553 
5554 
5555  def get_derivative(self, a0):
5556  """get_derivative(Domain self, FloatKey a0) -> double"""
5557  return _IMP_atom.Domain_get_derivative(self, a0)
5558 
5559 
5560  def get_name(self):
5561  """get_name(Domain self) -> std::string"""
5562  return _IMP_atom.Domain_get_name(self)
5563 
5564 
5565  def clear_caches(self):
5566  """clear_caches(Domain self)"""
5567  return _IMP_atom.Domain_clear_caches(self)
5568 
5569 
5570  def set_name(self, a0):
5571  """set_name(Domain self, std::string a0)"""
5572  return _IMP_atom.Domain_set_name(self, a0)
5573 
5574 
5575  def set_check_level(self, a0):
5576  """set_check_level(Domain self, IMP::CheckLevel a0)"""
5577  return _IMP_atom.Domain_set_check_level(self, a0)
5578 
5579 
5580  def add_to_derivative(self, a0, a1, a2):
5581  """add_to_derivative(Domain self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5582  return _IMP_atom.Domain_add_to_derivative(self, a0, a1, a2)
5583 
5584 
5585  def set_is_optimized(self, a0, a1):
5586  """set_is_optimized(Domain self, FloatKey a0, bool a1)"""
5587  return _IMP_atom.Domain_set_is_optimized(self, a0, a1)
5588 
5589 
5590  def get_is_optimized(self, a0):
5591  """get_is_optimized(Domain self, FloatKey a0) -> bool"""
5592  return _IMP_atom.Domain_get_is_optimized(self, a0)
5593 
5594 
5595  def get_check_level(self):
5596  """get_check_level(Domain self) -> IMP::CheckLevel"""
5597  return _IMP_atom.Domain_get_check_level(self)
5598 
5599 
5600  def __eq__(self, *args):
5601  """
5602  __eq__(Domain self, Domain o) -> bool
5603  __eq__(Domain self, Particle d) -> bool
5604  """
5605  return _IMP_atom.Domain___eq__(self, *args)
5606 
5607 
5608  def __ne__(self, *args):
5609  """
5610  __ne__(Domain self, Domain o) -> bool
5611  __ne__(Domain self, Particle d) -> bool
5612  """
5613  return _IMP_atom.Domain___ne__(self, *args)
5614 
5615 
5616  def __le__(self, *args):
5617  """
5618  __le__(Domain self, Domain o) -> bool
5619  __le__(Domain self, Particle d) -> bool
5620  """
5621  return _IMP_atom.Domain___le__(self, *args)
5622 
5623 
5624  def __lt__(self, *args):
5625  """
5626  __lt__(Domain self, Domain o) -> bool
5627  __lt__(Domain self, Particle d) -> bool
5628  """
5629  return _IMP_atom.Domain___lt__(self, *args)
5630 
5631 
5632  def __ge__(self, *args):
5633  """
5634  __ge__(Domain self, Domain o) -> bool
5635  __ge__(Domain self, Particle d) -> bool
5636  """
5637  return _IMP_atom.Domain___ge__(self, *args)
5638 
5639 
5640  def __gt__(self, *args):
5641  """
5642  __gt__(Domain self, Domain o) -> bool
5643  __gt__(Domain self, Particle d) -> bool
5644  """
5645  return _IMP_atom.Domain___gt__(self, *args)
5646 
5647 
5648  def __hash__(self):
5649  """__hash__(Domain self) -> std::size_t"""
5650  return _IMP_atom.Domain___hash__(self)
5651 
5652 
5653  def __str__(self):
5654  """__str__(Domain self) -> std::string"""
5655  return _IMP_atom.Domain___str__(self)
5656 
5657 
5658  def __repr__(self):
5659  """__repr__(Domain self) -> std::string"""
5660  return _IMP_atom.Domain___repr__(self)
5661 
5662  __swig_destroy__ = _IMP_atom.delete_Domain
5663  __del__ = lambda self: None
5664 Domain_swigregister = _IMP_atom.Domain_swigregister
5665 Domain_swigregister(Domain)
5666 
5667 def Domain_get_is_setup(*args):
5668  """
5669  get_is_setup(Model m, ParticleIndex pi) -> bool
5670  Domain_get_is_setup(_ParticleAdaptor p) -> bool
5671  """
5672  return _IMP_atom.Domain_get_is_setup(*args)
5673 
5674 def Domain_setup_particle(*args):
5675  """
5676  setup_particle(Model m, ParticleIndex pi, Domain other) -> Domain
5677  setup_particle(_ParticleAdaptor decorator, Domain other) -> Domain
5678  setup_particle(Model m, ParticleIndex pi, IMP::IntRange residues) -> Domain
5679  Domain_setup_particle(_ParticleAdaptor decorator, IMP::IntRange residues) -> Domain
5680  """
5681  return _IMP_atom.Domain_setup_particle(*args)
5682 
5683 class LennardJones(IMP.core.XYZR):
5684  """Proxy of C++ IMP::atom::LennardJones class"""
5685  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5686 
5687  def __init__(self, *args):
5688  """
5689  __init__(IMP::atom::LennardJones self) -> LennardJones
5690  __init__(IMP::atom::LennardJones self, Model m, ParticleIndex id) -> LennardJones
5691  __init__(IMP::atom::LennardJones self, _ParticleAdaptor d) -> LennardJones
5692  """
5693  this = _IMP_atom.new_LennardJones(*args)
5694  try:
5695  self.this.append(this)
5696  except:
5697  self.this = this
5698 
5699  def show(self, *args):
5700  """
5701  show(LennardJones self, _ostream out)
5702  show(LennardJones self)
5703  """
5704  return _IMP_atom.LennardJones_show(self, *args)
5705 
5706 
5707  def setup_particle(*args):
5708  """
5709  setup_particle(Model m, ParticleIndex pi) -> LennardJones
5710  setup_particle(_ParticleAdaptor decorator) -> LennardJones
5711  setup_particle(Model m, ParticleIndex pi, IMP::Float well_depth) -> LennardJones
5712  setup_particle(_ParticleAdaptor decorator, IMP::Float well_depth) -> LennardJones
5713  """
5714  return _IMP_atom.LennardJones_setup_particle(*args)
5715 
5716  setup_particle = staticmethod(setup_particle)
5717 
5718  def get_well_depth(self):
5719  """get_well_depth(LennardJones self) -> IMP::Float"""
5720  return _IMP_atom.LennardJones_get_well_depth(self)
5721 
5722 
5723  def set_well_depth(self, well_depth):
5724  """set_well_depth(LennardJones self, IMP::Float well_depth)"""
5725  return _IMP_atom.LennardJones_set_well_depth(self, well_depth)
5726 
5727 
5728  def get_is_setup(*args):
5729  """
5730  get_is_setup(_ParticleAdaptor p) -> bool
5731  get_is_setup(Model m, ParticleIndex pi) -> bool
5732  """
5733  return _IMP_atom.LennardJones_get_is_setup(*args)
5734 
5735  get_is_setup = staticmethod(get_is_setup)
5736 
5737  def get_well_depth_key():
5738  """get_well_depth_key() -> FloatKey"""
5739  return _IMP_atom.LennardJones_get_well_depth_key()
5740 
5741  get_well_depth_key = staticmethod(get_well_depth_key)
5742 
5743  def add_attribute(self, *args):
5744  """
5745  add_attribute(LennardJones self, FloatKey k, IMP::Float v, bool opt)
5746  add_attribute(LennardJones self, FloatKey a0, IMP::Float a1)
5747  add_attribute(LennardJones self, IntKey a0, IMP::Int a1)
5748  add_attribute(LennardJones self, FloatsKey a0, IMP::Floats a1)
5749  add_attribute(LennardJones self, IntsKey a0, IMP::Ints a1)
5750  add_attribute(LennardJones self, StringKey a0, IMP::String a1)
5751  add_attribute(LennardJones self, ParticleIndexKey a0, Particle a1)
5752  add_attribute(LennardJones self, ObjectKey a0, Object a1)
5753  """
5754  return _IMP_atom.LennardJones_add_attribute(self, *args)
5755 
5756 
5757  def get_value(self, *args):
5758  """
5759  get_value(LennardJones self, FloatKey a0) -> IMP::Float
5760  get_value(LennardJones self, IntKey a0) -> IMP::Int
5761  get_value(LennardJones self, FloatsKey a0) -> IMP::Floats
5762  get_value(LennardJones self, IntsKey a0) -> IMP::Ints
5763  get_value(LennardJones self, StringKey a0) -> IMP::String
5764  get_value(LennardJones self, ParticleIndexKey a0) -> Particle
5765  get_value(LennardJones self, ObjectKey a0) -> Object
5766  """
5767  return _IMP_atom.LennardJones_get_value(self, *args)
5768 
5769 
5770  def set_value(self, *args):
5771  """
5772  set_value(LennardJones self, FloatKey a0, IMP::Float a1)
5773  set_value(LennardJones self, IntKey a0, IMP::Int a1)
5774  set_value(LennardJones self, FloatsKey a0, IMP::Floats a1)
5775  set_value(LennardJones self, IntsKey a0, IMP::Ints a1)
5776  set_value(LennardJones self, StringKey a0, IMP::String a1)
5777  set_value(LennardJones self, ParticleIndexKey a0, Particle a1)
5778  set_value(LennardJones self, ObjectKey a0, Object a1)
5779  """
5780  return _IMP_atom.LennardJones_set_value(self, *args)
5781 
5782 
5783  def remove_attribute(self, *args):
5784  """
5785  remove_attribute(LennardJones self, FloatKey a0)
5786  remove_attribute(LennardJones self, IntKey a0)
5787  remove_attribute(LennardJones self, FloatsKey a0)
5788  remove_attribute(LennardJones self, IntsKey a0)
5789  remove_attribute(LennardJones self, StringKey a0)
5790  remove_attribute(LennardJones self, ParticleIndexKey a0)
5791  remove_attribute(LennardJones self, ObjectKey a0)
5792  """
5793  return _IMP_atom.LennardJones_remove_attribute(self, *args)
5794 
5795 
5796  def has_attribute(self, *args):
5797  """
5798  has_attribute(LennardJones self, FloatKey a0) -> bool
5799  has_attribute(LennardJones self, IntKey a0) -> bool
5800  has_attribute(LennardJones self, FloatsKey a0) -> bool
5801  has_attribute(LennardJones self, IntsKey a0) -> bool
5802  has_attribute(LennardJones self, StringKey a0) -> bool
5803  has_attribute(LennardJones self, ParticleIndexKey a0) -> bool
5804  has_attribute(LennardJones self, ObjectKey a0) -> bool
5805  """
5806  return _IMP_atom.LennardJones_has_attribute(self, *args)
5807 
5808 
5809  def get_derivative(self, a0):
5810  """get_derivative(LennardJones self, FloatKey a0) -> double"""
5811  return _IMP_atom.LennardJones_get_derivative(self, a0)
5812 
5813 
5814  def get_name(self):
5815  """get_name(LennardJones self) -> std::string"""
5816  return _IMP_atom.LennardJones_get_name(self)
5817 
5818 
5819  def clear_caches(self):
5820  """clear_caches(LennardJones self)"""
5821  return _IMP_atom.LennardJones_clear_caches(self)
5822 
5823 
5824  def set_name(self, a0):
5825  """set_name(LennardJones self, std::string a0)"""
5826  return _IMP_atom.LennardJones_set_name(self, a0)
5827 
5828 
5829  def set_check_level(self, a0):
5830  """set_check_level(LennardJones self, IMP::CheckLevel a0)"""
5831  return _IMP_atom.LennardJones_set_check_level(self, a0)
5832 
5833 
5834  def add_to_derivative(self, a0, a1, a2):
5835  """add_to_derivative(LennardJones self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
5836  return _IMP_atom.LennardJones_add_to_derivative(self, a0, a1, a2)
5837 
5838 
5839  def set_is_optimized(self, a0, a1):
5840  """set_is_optimized(LennardJones self, FloatKey a0, bool a1)"""
5841  return _IMP_atom.LennardJones_set_is_optimized(self, a0, a1)
5842 
5843 
5844  def get_is_optimized(self, a0):
5845  """get_is_optimized(LennardJones self, FloatKey a0) -> bool"""
5846  return _IMP_atom.LennardJones_get_is_optimized(self, a0)
5847 
5848 
5849  def get_check_level(self):
5850  """get_check_level(LennardJones self) -> IMP::CheckLevel"""
5851  return _IMP_atom.LennardJones_get_check_level(self)
5852 
5853 
5854  def __eq__(self, *args):
5855  """
5856  __eq__(LennardJones self, LennardJones o) -> bool
5857  __eq__(LennardJones self, Particle d) -> bool
5858  """
5859  return _IMP_atom.LennardJones___eq__(self, *args)
5860 
5861 
5862  def __ne__(self, *args):
5863  """
5864  __ne__(LennardJones self, LennardJones o) -> bool
5865  __ne__(LennardJones self, Particle d) -> bool
5866  """
5867  return _IMP_atom.LennardJones___ne__(self, *args)
5868 
5869 
5870  def __le__(self, *args):
5871  """
5872  __le__(LennardJones self, LennardJones o) -> bool
5873  __le__(LennardJones self, Particle d) -> bool
5874  """
5875  return _IMP_atom.LennardJones___le__(self, *args)
5876 
5877 
5878  def __lt__(self, *args):
5879  """
5880  __lt__(LennardJones self, LennardJones o) -> bool
5881  __lt__(LennardJones self, Particle d) -> bool
5882  """
5883  return _IMP_atom.LennardJones___lt__(self, *args)
5884 
5885 
5886  def __ge__(self, *args):
5887  """
5888  __ge__(LennardJones self, LennardJones o) -> bool
5889  __ge__(LennardJones self, Particle d) -> bool
5890  """
5891  return _IMP_atom.LennardJones___ge__(self, *args)
5892 
5893 
5894  def __gt__(self, *args):
5895  """
5896  __gt__(LennardJones self, LennardJones o) -> bool
5897  __gt__(LennardJones self, Particle d) -> bool
5898  """
5899  return _IMP_atom.LennardJones___gt__(self, *args)
5900 
5901 
5902  def __hash__(self):
5903  """__hash__(LennardJones self) -> std::size_t"""
5904  return _IMP_atom.LennardJones___hash__(self)
5905 
5906 
5907  def __str__(self):
5908  """__str__(LennardJones self) -> std::string"""
5909  return _IMP_atom.LennardJones___str__(self)
5910 
5911 
5912  def __repr__(self):
5913  """__repr__(LennardJones self) -> std::string"""
5914  return _IMP_atom.LennardJones___repr__(self)
5915 
5916  __swig_destroy__ = _IMP_atom.delete_LennardJones
5917  __del__ = lambda self: None
5918 LennardJones_swigregister = _IMP_atom.LennardJones_swigregister
5919 LennardJones_swigregister(LennardJones)
5920 
5921 def LennardJones_setup_particle(*args):
5922  """
5923  setup_particle(Model m, ParticleIndex pi) -> LennardJones
5924  setup_particle(_ParticleAdaptor decorator) -> LennardJones
5925  setup_particle(Model m, ParticleIndex pi, IMP::Float well_depth) -> LennardJones
5926  LennardJones_setup_particle(_ParticleAdaptor decorator, IMP::Float well_depth) -> LennardJones
5927  """
5928  return _IMP_atom.LennardJones_setup_particle(*args)
5929 
5930 def LennardJones_get_is_setup(*args):
5931  """
5932  get_is_setup(_ParticleAdaptor p) -> bool
5933  LennardJones_get_is_setup(Model m, ParticleIndex pi) -> bool
5934  """
5935  return _IMP_atom.LennardJones_get_is_setup(*args)
5936 
5937 def LennardJones_get_well_depth_key():
5938  """LennardJones_get_well_depth_key() -> FloatKey"""
5939  return _IMP_atom.LennardJones_get_well_depth_key()
5940 
5941 class LennardJonesPairScore(IMP.PairScore):
5942  """Proxy of C++ IMP::atom::LennardJonesPairScore class"""
5943  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
5944 
5945  def __init__(self, f):
5946  """__init__(IMP::atom::LennardJonesPairScore self, SmoothingFunction f) -> LennardJonesPairScore"""
5947  this = _IMP_atom.new_LennardJonesPairScore(f)
5948  try:
5949  self.this.append(this)
5950  except:
5951  self.this = this
5952 
5953  def set_repulsive_weight(self, repulsive_weight):
5954  """set_repulsive_weight(LennardJonesPairScore self, double repulsive_weight)"""
5955  return _IMP_atom.LennardJonesPairScore_set_repulsive_weight(self, repulsive_weight)
5956 
5957 
5958  def get_repulsive_weight(self):
5959  """get_repulsive_weight(LennardJonesPairScore self) -> double"""
5960  return _IMP_atom.LennardJonesPairScore_get_repulsive_weight(self)
5961 
5962 
5963  def set_attractive_weight(self, attractive_weight):
5964  """set_attractive_weight(LennardJonesPairScore self, double attractive_weight)"""
5965  return _IMP_atom.LennardJonesPairScore_set_attractive_weight(self, attractive_weight)
5966 
5967 
5968  def get_attractive_weight(self):
5969  """get_attractive_weight(LennardJonesPairScore self) -> double"""
5970  return _IMP_atom.LennardJonesPairScore_get_attractive_weight(self)
5971 
5972 
5973  def do_get_inputs(self, m, pis):
5974  """do_get_inputs(LennardJonesPairScore self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
5975  return _IMP_atom.LennardJonesPairScore_do_get_inputs(self, m, pis)
5976 
5977 
5978  def get_version_info(self):
5979  """get_version_info(LennardJonesPairScore self) -> VersionInfo"""
5980  return _IMP_atom.LennardJonesPairScore_get_version_info(self)
5981 
5982 
5983  def __str__(self):
5984  """__str__(LennardJonesPairScore self) -> std::string"""
5985  return _IMP_atom.LennardJonesPairScore___str__(self)
5986 
5987 
5988  def __repr__(self):
5989  """__repr__(LennardJonesPairScore self) -> std::string"""
5990  return _IMP_atom.LennardJonesPairScore___repr__(self)
5991 
5992 
5993  @staticmethod
5994  def get_from(o):
5995  return _object_cast_to_LennardJonesPairScore(o)
5996 
5997 LennardJonesPairScore_swigregister = _IMP_atom.LennardJonesPairScore_swigregister
5998 LennardJonesPairScore_swigregister(LennardJonesPairScore)
5999 
6000 class LinearVelocity(IMP.Decorator):
6001  """Proxy of C++ IMP::atom::LinearVelocity class"""
6002  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6003 
6004  def __init__(self, *args):
6005  """
6006  __init__(IMP::atom::LinearVelocity self) -> LinearVelocity
6007  __init__(IMP::atom::LinearVelocity self, Model m, ParticleIndex id) -> LinearVelocity
6008  __init__(IMP::atom::LinearVelocity self, _ParticleAdaptor d) -> LinearVelocity
6009  """
6010  this = _IMP_atom.new_LinearVelocity(*args)
6011  try:
6012  self.this.append(this)
6013  except:
6014  self.this = this
6015 
6016  def get_is_setup(*args):
6017  """
6018  get_is_setup(Model m, ParticleIndex pi) -> bool
6019  get_is_setup(_ParticleAdaptor p) -> bool
6020  """
6021  return _IMP_atom.LinearVelocity_get_is_setup(*args)
6022 
6023  get_is_setup = staticmethod(get_is_setup)
6024 
6025  def show(self, *args):
6026  """
6027  show(LinearVelocity self, _ostream out)
6028  show(LinearVelocity self)
6029  """
6030  return _IMP_atom.LinearVelocity_show(self, *args)
6031 
6032 
6033  def setup_particle(*args):
6034  """
6035  setup_particle(Model m, ParticleIndex pi) -> LinearVelocity
6036  setup_particle(_ParticleAdaptor decorator) -> LinearVelocity
6037  setup_particle(Model m, ParticleIndex pi, Vector3D v) -> LinearVelocity
6038  setup_particle(_ParticleAdaptor decorator, Vector3D v) -> LinearVelocity
6039  """
6040  return _IMP_atom.LinearVelocity_setup_particle(*args)
6041 
6042  setup_particle = staticmethod(setup_particle)
6043 
6044  def set_velocity(self, v):
6045  """set_velocity(LinearVelocity self, Vector3D v)"""
6046  return _IMP_atom.LinearVelocity_set_velocity(self, v)
6047 
6048 
6049  def get_velocity(self):
6050  """get_velocity(LinearVelocity self) -> Vector3D"""
6051  return _IMP_atom.LinearVelocity_get_velocity(self)
6052 
6053 
6054  def add_attribute(self, *args):
6055  """
6056  add_attribute(LinearVelocity self, FloatKey k, IMP::Float v, bool opt)
6057  add_attribute(LinearVelocity self, FloatKey a0, IMP::Float a1)
6058  add_attribute(LinearVelocity self, IntKey a0, IMP::Int a1)
6059  add_attribute(LinearVelocity self, FloatsKey a0, IMP::Floats a1)
6060  add_attribute(LinearVelocity self, IntsKey a0, IMP::Ints a1)
6061  add_attribute(LinearVelocity self, StringKey a0, IMP::String a1)
6062  add_attribute(LinearVelocity self, ParticleIndexKey a0, Particle a1)
6063  add_attribute(LinearVelocity self, ObjectKey a0, Object a1)
6064  """
6065  return _IMP_atom.LinearVelocity_add_attribute(self, *args)
6066 
6067 
6068  def get_value(self, *args):
6069  """
6070  get_value(LinearVelocity self, FloatKey a0) -> IMP::Float
6071  get_value(LinearVelocity self, IntKey a0) -> IMP::Int
6072  get_value(LinearVelocity self, FloatsKey a0) -> IMP::Floats
6073  get_value(LinearVelocity self, IntsKey a0) -> IMP::Ints
6074  get_value(LinearVelocity self, StringKey a0) -> IMP::String
6075  get_value(LinearVelocity self, ParticleIndexKey a0) -> Particle
6076  get_value(LinearVelocity self, ObjectKey a0) -> Object
6077  """
6078  return _IMP_atom.LinearVelocity_get_value(self, *args)
6079 
6080 
6081  def set_value(self, *args):
6082  """
6083  set_value(LinearVelocity self, FloatKey a0, IMP::Float a1)
6084  set_value(LinearVelocity self, IntKey a0, IMP::Int a1)
6085  set_value(LinearVelocity self, FloatsKey a0, IMP::Floats a1)
6086  set_value(LinearVelocity self, IntsKey a0, IMP::Ints a1)
6087  set_value(LinearVelocity self, StringKey a0, IMP::String a1)
6088  set_value(LinearVelocity self, ParticleIndexKey a0, Particle a1)
6089  set_value(LinearVelocity self, ObjectKey a0, Object a1)
6090  """
6091  return _IMP_atom.LinearVelocity_set_value(self, *args)
6092 
6093 
6094  def remove_attribute(self, *args):
6095  """
6096  remove_attribute(LinearVelocity self, FloatKey a0)
6097  remove_attribute(LinearVelocity self, IntKey a0)
6098  remove_attribute(LinearVelocity self, FloatsKey a0)
6099  remove_attribute(LinearVelocity self, IntsKey a0)
6100  remove_attribute(LinearVelocity self, StringKey a0)
6101  remove_attribute(LinearVelocity self, ParticleIndexKey a0)
6102  remove_attribute(LinearVelocity self, ObjectKey a0)
6103  """
6104  return _IMP_atom.LinearVelocity_remove_attribute(self, *args)
6105 
6106 
6107  def has_attribute(self, *args):
6108  """
6109  has_attribute(LinearVelocity self, FloatKey a0) -> bool
6110  has_attribute(LinearVelocity self, IntKey a0) -> bool
6111  has_attribute(LinearVelocity self, FloatsKey a0) -> bool
6112  has_attribute(LinearVelocity self, IntsKey a0) -> bool
6113  has_attribute(LinearVelocity self, StringKey a0) -> bool
6114  has_attribute(LinearVelocity self, ParticleIndexKey a0) -> bool
6115  has_attribute(LinearVelocity self, ObjectKey a0) -> bool
6116  """
6117  return _IMP_atom.LinearVelocity_has_attribute(self, *args)
6118 
6119 
6120  def get_derivative(self, a0):
6121  """get_derivative(LinearVelocity self, FloatKey a0) -> double"""
6122  return _IMP_atom.LinearVelocity_get_derivative(self, a0)
6123 
6124 
6125  def get_name(self):
6126  """get_name(LinearVelocity self) -> std::string"""
6127  return _IMP_atom.LinearVelocity_get_name(self)
6128 
6129 
6130  def clear_caches(self):
6131  """clear_caches(LinearVelocity self)"""
6132  return _IMP_atom.LinearVelocity_clear_caches(self)
6133 
6134 
6135  def set_name(self, a0):
6136  """set_name(LinearVelocity self, std::string a0)"""
6137  return _IMP_atom.LinearVelocity_set_name(self, a0)
6138 
6139 
6140  def set_check_level(self, a0):
6141  """set_check_level(LinearVelocity self, IMP::CheckLevel a0)"""
6142  return _IMP_atom.LinearVelocity_set_check_level(self, a0)
6143 
6144 
6145  def add_to_derivative(self, a0, a1, a2):
6146  """add_to_derivative(LinearVelocity self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
6147  return _IMP_atom.LinearVelocity_add_to_derivative(self, a0, a1, a2)
6148 
6149 
6150  def set_is_optimized(self, a0, a1):
6151  """set_is_optimized(LinearVelocity self, FloatKey a0, bool a1)"""
6152  return _IMP_atom.LinearVelocity_set_is_optimized(self, a0, a1)
6153 
6154 
6155  def get_is_optimized(self, a0):
6156  """get_is_optimized(LinearVelocity self, FloatKey a0) -> bool"""
6157  return _IMP_atom.LinearVelocity_get_is_optimized(self, a0)
6158 
6159 
6160  def get_check_level(self):
6161  """get_check_level(LinearVelocity self) -> IMP::CheckLevel"""
6162  return _IMP_atom.LinearVelocity_get_check_level(self)
6163 
6164 
6165  def __eq__(self, *args):
6166  """
6167  __eq__(LinearVelocity self, LinearVelocity o) -> bool
6168  __eq__(LinearVelocity self, Particle d) -> bool
6169  """
6170  return _IMP_atom.LinearVelocity___eq__(self, *args)
6171 
6172 
6173  def __ne__(self, *args):
6174  """
6175  __ne__(LinearVelocity self, LinearVelocity o) -> bool
6176  __ne__(LinearVelocity self, Particle d) -> bool
6177  """
6178  return _IMP_atom.LinearVelocity___ne__(self, *args)
6179 
6180 
6181  def __le__(self, *args):
6182  """
6183  __le__(LinearVelocity self, LinearVelocity o) -> bool
6184  __le__(LinearVelocity self, Particle d) -> bool
6185  """
6186  return _IMP_atom.LinearVelocity___le__(self, *args)
6187 
6188 
6189  def __lt__(self, *args):
6190  """
6191  __lt__(LinearVelocity self, LinearVelocity o) -> bool
6192  __lt__(LinearVelocity self, Particle d) -> bool
6193  """
6194  return _IMP_atom.LinearVelocity___lt__(self, *args)
6195 
6196 
6197  def __ge__(self, *args):
6198  """
6199  __ge__(LinearVelocity self, LinearVelocity o) -> bool
6200  __ge__(LinearVelocity self, Particle d) -> bool
6201  """
6202  return _IMP_atom.LinearVelocity___ge__(self, *args)
6203 
6204 
6205  def __gt__(self, *args):
6206  """
6207  __gt__(LinearVelocity self, LinearVelocity o) -> bool
6208  __gt__(LinearVelocity self, Particle d) -> bool
6209  """
6210  return _IMP_atom.LinearVelocity___gt__(self, *args)
6211 
6212 
6213  def __hash__(self):
6214  """__hash__(LinearVelocity self) -> std::size_t"""
6215  return _IMP_atom.LinearVelocity___hash__(self)
6216 
6217 
6218  def __str__(self):
6219  """__str__(LinearVelocity self) -> std::string"""
6220  return _IMP_atom.LinearVelocity___str__(self)
6221 
6222 
6223  def __repr__(self):
6224  """__repr__(LinearVelocity self) -> std::string"""
6225  return _IMP_atom.LinearVelocity___repr__(self)
6226 
6227  __swig_destroy__ = _IMP_atom.delete_LinearVelocity
6228  __del__ = lambda self: None
6229 LinearVelocity_swigregister = _IMP_atom.LinearVelocity_swigregister
6230 LinearVelocity_swigregister(LinearVelocity)
6231 
6232 def LinearVelocity_get_is_setup(*args):
6233  """
6234  get_is_setup(Model m, ParticleIndex pi) -> bool
6235  LinearVelocity_get_is_setup(_ParticleAdaptor p) -> bool
6236  """
6237  return _IMP_atom.LinearVelocity_get_is_setup(*args)
6238 
6239 def LinearVelocity_setup_particle(*args):
6240  """
6241  setup_particle(Model m, ParticleIndex pi) -> LinearVelocity
6242  setup_particle(_ParticleAdaptor decorator) -> LinearVelocity
6243  setup_particle(Model m, ParticleIndex pi, Vector3D v) -> LinearVelocity
6244  LinearVelocity_setup_particle(_ParticleAdaptor decorator, Vector3D v) -> LinearVelocity
6245  """
6246  return _IMP_atom.LinearVelocity_setup_particle(*args)
6247 
6248 class AngularVelocity(IMP.Decorator):
6249  """Proxy of C++ IMP::atom::AngularVelocity class"""
6250  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6251 
6252  def __init__(self, *args):
6253  """
6254  __init__(IMP::atom::AngularVelocity self) -> AngularVelocity
6255  __init__(IMP::atom::AngularVelocity self, Model m, ParticleIndex id) -> AngularVelocity
6256  __init__(IMP::atom::AngularVelocity self, _ParticleAdaptor d) -> AngularVelocity
6257  """
6258  this = _IMP_atom.new_AngularVelocity(*args)
6259  try:
6260  self.this.append(this)
6261  except:
6262  self.this = this
6263 
6264  def get_is_setup(*args):
6265  """
6266  get_is_setup(Model m, ParticleIndex pi) -> bool
6267  get_is_setup(_ParticleAdaptor p) -> bool
6268  """
6269  return _IMP_atom.AngularVelocity_get_is_setup(*args)
6270 
6271  get_is_setup = staticmethod(get_is_setup)
6272 
6273  def show(self, *args):
6274  """
6275  show(AngularVelocity self, _ostream out)
6276  show(AngularVelocity self)
6277  """
6278  return _IMP_atom.AngularVelocity_show(self, *args)
6279 
6280 
6281  def setup_particle(*args):
6282  """
6283  setup_particle(Model m, ParticleIndex pi) -> AngularVelocity
6284  setup_particle(_ParticleAdaptor decorator) -> AngularVelocity
6285  setup_particle(Model m, ParticleIndex pi, Vector4D v) -> AngularVelocity
6286  setup_particle(_ParticleAdaptor decorator, Vector4D v) -> AngularVelocity
6287  """
6288  return _IMP_atom.AngularVelocity_setup_particle(*args)
6289 
6290  setup_particle = staticmethod(setup_particle)
6291 
6292  def set_velocity(self, v):
6293  """set_velocity(AngularVelocity self, Vector4D v)"""
6294  return _IMP_atom.AngularVelocity_set_velocity(self, v)
6295 
6296 
6297  def get_velocity(self):
6298  """get_velocity(AngularVelocity self) -> Vector4D"""
6299  return _IMP_atom.AngularVelocity_get_velocity(self)
6300 
6301 
6302  def add_attribute(self, *args):
6303  """
6304  add_attribute(AngularVelocity self, FloatKey k, IMP::Float v, bool opt)
6305  add_attribute(AngularVelocity self, FloatKey a0, IMP::Float a1)
6306  add_attribute(AngularVelocity self, IntKey a0, IMP::Int a1)
6307  add_attribute(AngularVelocity self, FloatsKey a0, IMP::Floats a1)
6308  add_attribute(AngularVelocity self, IntsKey a0, IMP::Ints a1)
6309  add_attribute(AngularVelocity self, StringKey a0, IMP::String a1)
6310  add_attribute(AngularVelocity self, ParticleIndexKey a0, Particle a1)
6311  add_attribute(AngularVelocity self, ObjectKey a0, Object a1)
6312  """
6313  return _IMP_atom.AngularVelocity_add_attribute(self, *args)
6314 
6315 
6316  def get_value(self, *args):
6317  """
6318  get_value(AngularVelocity self, FloatKey a0) -> IMP::Float
6319  get_value(AngularVelocity self, IntKey a0) -> IMP::Int
6320  get_value(AngularVelocity self, FloatsKey a0) -> IMP::Floats
6321  get_value(AngularVelocity self, IntsKey a0) -> IMP::Ints
6322  get_value(AngularVelocity self, StringKey a0) -> IMP::String
6323  get_value(AngularVelocity self, ParticleIndexKey a0) -> Particle
6324  get_value(AngularVelocity self, ObjectKey a0) -> Object
6325  """
6326  return _IMP_atom.AngularVelocity_get_value(self, *args)
6327 
6328 
6329  def set_value(self, *args):
6330  """
6331  set_value(AngularVelocity self, FloatKey a0, IMP::Float a1)
6332  set_value(AngularVelocity self, IntKey a0, IMP::Int a1)
6333  set_value(AngularVelocity self, FloatsKey a0, IMP::Floats a1)
6334  set_value(AngularVelocity self, IntsKey a0, IMP::Ints a1)
6335  set_value(AngularVelocity self, StringKey a0, IMP::String a1)
6336  set_value(AngularVelocity self, ParticleIndexKey a0, Particle a1)
6337  set_value(AngularVelocity self, ObjectKey a0, Object a1)
6338  """
6339  return _IMP_atom.AngularVelocity_set_value(self, *args)
6340 
6341 
6342  def remove_attribute(self, *args):
6343  """
6344  remove_attribute(AngularVelocity self, FloatKey a0)
6345  remove_attribute(AngularVelocity self, IntKey a0)
6346  remove_attribute(AngularVelocity self, FloatsKey a0)
6347  remove_attribute(AngularVelocity self, IntsKey a0)
6348  remove_attribute(AngularVelocity self, StringKey a0)
6349  remove_attribute(AngularVelocity self, ParticleIndexKey a0)
6350  remove_attribute(AngularVelocity self, ObjectKey a0)
6351  """
6352  return _IMP_atom.AngularVelocity_remove_attribute(self, *args)
6353 
6354 
6355  def has_attribute(self, *args):
6356  """
6357  has_attribute(AngularVelocity self, FloatKey a0) -> bool
6358  has_attribute(AngularVelocity self, IntKey a0) -> bool
6359  has_attribute(AngularVelocity self, FloatsKey a0) -> bool
6360  has_attribute(AngularVelocity self, IntsKey a0) -> bool
6361  has_attribute(AngularVelocity self, StringKey a0) -> bool
6362  has_attribute(AngularVelocity self, ParticleIndexKey a0) -> bool
6363  has_attribute(AngularVelocity self, ObjectKey a0) -> bool
6364  """
6365  return _IMP_atom.AngularVelocity_has_attribute(self, *args)
6366 
6367 
6368  def get_derivative(self, a0):
6369  """get_derivative(AngularVelocity self, FloatKey a0) -> double"""
6370  return _IMP_atom.AngularVelocity_get_derivative(self, a0)
6371 
6372 
6373  def get_name(self):
6374  """get_name(AngularVelocity self) -> std::string"""
6375  return _IMP_atom.AngularVelocity_get_name(self)
6376 
6377 
6378  def clear_caches(self):
6379  """clear_caches(AngularVelocity self)"""
6380  return _IMP_atom.AngularVelocity_clear_caches(self)
6381 
6382 
6383  def set_name(self, a0):
6384  """set_name(AngularVelocity self, std::string a0)"""
6385  return _IMP_atom.AngularVelocity_set_name(self, a0)
6386 
6387 
6388  def set_check_level(self, a0):
6389  """set_check_level(AngularVelocity self, IMP::CheckLevel a0)"""
6390  return _IMP_atom.AngularVelocity_set_check_level(self, a0)
6391 
6392 
6393  def add_to_derivative(self, a0, a1, a2):
6394  """add_to_derivative(AngularVelocity self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
6395  return _IMP_atom.AngularVelocity_add_to_derivative(self, a0, a1, a2)
6396 
6397 
6398  def set_is_optimized(self, a0, a1):
6399  """set_is_optimized(AngularVelocity self, FloatKey a0, bool a1)"""
6400  return _IMP_atom.AngularVelocity_set_is_optimized(self, a0, a1)
6401 
6402 
6403  def get_is_optimized(self, a0):
6404  """get_is_optimized(AngularVelocity self, FloatKey a0) -> bool"""
6405  return _IMP_atom.AngularVelocity_get_is_optimized(self, a0)
6406 
6407 
6408  def get_check_level(self):
6409  """get_check_level(AngularVelocity self) -> IMP::CheckLevel"""
6410  return _IMP_atom.AngularVelocity_get_check_level(self)
6411 
6412 
6413  def __eq__(self, *args):
6414  """
6415  __eq__(AngularVelocity self, AngularVelocity o) -> bool
6416  __eq__(AngularVelocity self, Particle d) -> bool
6417  """
6418  return _IMP_atom.AngularVelocity___eq__(self, *args)
6419 
6420 
6421  def __ne__(self, *args):
6422  """
6423  __ne__(AngularVelocity self, AngularVelocity o) -> bool
6424  __ne__(AngularVelocity self, Particle d) -> bool
6425  """
6426  return _IMP_atom.AngularVelocity___ne__(self, *args)
6427 
6428 
6429  def __le__(self, *args):
6430  """
6431  __le__(AngularVelocity self, AngularVelocity o) -> bool
6432  __le__(AngularVelocity self, Particle d) -> bool
6433  """
6434  return _IMP_atom.AngularVelocity___le__(self, *args)
6435 
6436 
6437  def __lt__(self, *args):
6438  """
6439  __lt__(AngularVelocity self, AngularVelocity o) -> bool
6440  __lt__(AngularVelocity self, Particle d) -> bool
6441  """
6442  return _IMP_atom.AngularVelocity___lt__(self, *args)
6443 
6444 
6445  def __ge__(self, *args):
6446  """
6447  __ge__(AngularVelocity self, AngularVelocity o) -> bool
6448  __ge__(AngularVelocity self, Particle d) -> bool
6449  """
6450  return _IMP_atom.AngularVelocity___ge__(self, *args)
6451 
6452 
6453  def __gt__(self, *args):
6454  """
6455  __gt__(AngularVelocity self, AngularVelocity o) -> bool
6456  __gt__(AngularVelocity self, Particle d) -> bool
6457  """
6458  return _IMP_atom.AngularVelocity___gt__(self, *args)
6459 
6460 
6461  def __hash__(self):
6462  """__hash__(AngularVelocity self) -> std::size_t"""
6463  return _IMP_atom.AngularVelocity___hash__(self)
6464 
6465 
6466  def __str__(self):
6467  """__str__(AngularVelocity self) -> std::string"""
6468  return _IMP_atom.AngularVelocity___str__(self)
6469 
6470 
6471  def __repr__(self):
6472  """__repr__(AngularVelocity self) -> std::string"""
6473  return _IMP_atom.AngularVelocity___repr__(self)
6474 
6475  __swig_destroy__ = _IMP_atom.delete_AngularVelocity
6476  __del__ = lambda self: None
6477 AngularVelocity_swigregister = _IMP_atom.AngularVelocity_swigregister
6478 AngularVelocity_swigregister(AngularVelocity)
6479 
6480 def AngularVelocity_get_is_setup(*args):
6481  """
6482  get_is_setup(Model m, ParticleIndex pi) -> bool
6483  AngularVelocity_get_is_setup(_ParticleAdaptor p) -> bool
6484  """
6485  return _IMP_atom.AngularVelocity_get_is_setup(*args)
6486 
6487 def AngularVelocity_setup_particle(*args):
6488  """
6489  setup_particle(Model m, ParticleIndex pi) -> AngularVelocity
6490  setup_particle(_ParticleAdaptor decorator) -> AngularVelocity
6491  setup_particle(Model m, ParticleIndex pi, Vector4D v) -> AngularVelocity
6492  AngularVelocity_setup_particle(_ParticleAdaptor decorator, Vector4D v) -> AngularVelocity
6493  """
6494  return _IMP_atom.AngularVelocity_setup_particle(*args)
6495 
6496 class MolecularDynamics(Simulator):
6497  """Proxy of C++ IMP::atom::MolecularDynamics class"""
6498  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6499 
6500  def __init__(self, m):
6501  """__init__(IMP::atom::MolecularDynamics self, Model m) -> MolecularDynamics"""
6502  this = _IMP_atom.new_MolecularDynamics(m)
6503  try:
6504  self.this.append(this)
6505  except:
6506  self.this = this
6507 
6508  def get_kinetic_energy(self):
6509  """get_kinetic_energy(MolecularDynamics self) -> IMP::Float"""
6510  return _IMP_atom.MolecularDynamics_get_kinetic_energy(self)
6511 
6512 
6513  def get_kinetic_temperature(self, ekinetic):
6514  """get_kinetic_temperature(MolecularDynamics self, IMP::Float ekinetic) -> IMP::Float"""
6515  return _IMP_atom.MolecularDynamics_get_kinetic_temperature(self, ekinetic)
6516 
6517 
6518  def set_velocity_cap(self, velocity_cap):
6519  """set_velocity_cap(MolecularDynamics self, IMP::Float velocity_cap)"""
6520  return _IMP_atom.MolecularDynamics_set_velocity_cap(self, velocity_cap)
6521 
6522 
6523  def assign_velocities(self, temperature):
6524  """assign_velocities(MolecularDynamics self, IMP::Float temperature)"""
6525  return _IMP_atom.MolecularDynamics_assign_velocities(self, temperature)
6526 
6527 
6528  def setup(self, ps):
6529  """setup(MolecularDynamics self, IMP::ParticleIndexes const & ps)"""
6530  return _IMP_atom.MolecularDynamics_setup(self, ps)
6531 
6532 
6533  def do_step(self, sc, dt):
6534  """do_step(MolecularDynamics self, IMP::ParticleIndexes const & sc, double dt) -> double"""
6535  return _IMP_atom.MolecularDynamics_do_step(self, sc, dt)
6536 
6537 
6538  def get_is_simulation_particle(self, p):
6539  """get_is_simulation_particle(MolecularDynamics self, ParticleIndex p) -> bool"""
6540  return _IMP_atom.MolecularDynamics_get_is_simulation_particle(self, p)
6541 
6542 
6543  def get_version_info(self):
6544  """get_version_info(MolecularDynamics self) -> VersionInfo"""
6545  return _IMP_atom.MolecularDynamics_get_version_info(self)
6546 
6547 
6548  def __str__(self):
6549  """__str__(MolecularDynamics self) -> std::string"""
6550  return _IMP_atom.MolecularDynamics___str__(self)
6551 
6552 
6553  def __repr__(self):
6554  """__repr__(MolecularDynamics self) -> std::string"""
6555  return _IMP_atom.MolecularDynamics___repr__(self)
6556 
6557 
6558  @staticmethod
6559  def get_from(o):
6560  return _object_cast_to_MolecularDynamics(o)
6561 
6562 MolecularDynamics_swigregister = _IMP_atom.MolecularDynamics_swigregister
6563 MolecularDynamics_swigregister(MolecularDynamics)
6564 
6565 class VelocityScalingOptimizerState(IMP.OptimizerState):
6566  """Proxy of C++ IMP::atom::VelocityScalingOptimizerState class"""
6567  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6568 
6569  def __init__(self, m, pis, temperature):
6570  """__init__(IMP::atom::VelocityScalingOptimizerState self, Model m, _ParticleIndexesAdaptor pis, double temperature) -> VelocityScalingOptimizerState"""
6571  this = _IMP_atom.new_VelocityScalingOptimizerState(m, pis, temperature)
6572  try:
6573  self.this.append(this)
6574  except:
6575  self.this = this
6576 
6577  def set_particles(self, pis):
6578  """set_particles(VelocityScalingOptimizerState self, IMP::Particles const & pis)"""
6579  return _IMP_atom.VelocityScalingOptimizerState_set_particles(self, pis)
6580 
6581 
6582  def set_temperature(self, temperature):
6583  """set_temperature(VelocityScalingOptimizerState self, IMP::Float temperature)"""
6584  return _IMP_atom.VelocityScalingOptimizerState_set_temperature(self, temperature)
6585 
6586 
6587  def rescale_velocities(self):
6588  """rescale_velocities(VelocityScalingOptimizerState self)"""
6589  return _IMP_atom.VelocityScalingOptimizerState_rescale_velocities(self)
6590 
6591 
6592  def get_version_info(self):
6593  """get_version_info(VelocityScalingOptimizerState self) -> VersionInfo"""
6594  return _IMP_atom.VelocityScalingOptimizerState_get_version_info(self)
6595 
6596 
6597  def __str__(self):
6598  """__str__(VelocityScalingOptimizerState self) -> std::string"""
6599  return _IMP_atom.VelocityScalingOptimizerState___str__(self)
6600 
6601 
6602  def __repr__(self):
6603  """__repr__(VelocityScalingOptimizerState self) -> std::string"""
6604  return _IMP_atom.VelocityScalingOptimizerState___repr__(self)
6605 
6606 
6607  @staticmethod
6608  def get_from(o):
6609  return _object_cast_to_VelocityScalingOptimizerState(o)
6610 
6611 VelocityScalingOptimizerState_swigregister = _IMP_atom.VelocityScalingOptimizerState_swigregister
6612 VelocityScalingOptimizerState_swigregister(VelocityScalingOptimizerState)
6613 
6614 class Fragment(Hierarchy):
6615  """Proxy of C++ IMP::atom::Fragment class"""
6616  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6617 
6618  def set_residue_indexes(self, o):
6619  """set_residue_indexes(Fragment self, IMP::Ints o)"""
6620  return _IMP_atom.Fragment_set_residue_indexes(self, o)
6621 
6622 
6623  def get_residue_indexes(self):
6624  """get_residue_indexes(Fragment self) -> IMP::Ints"""
6625  return _IMP_atom.Fragment_get_residue_indexes(self)
6626 
6627 
6628  def get_contains_residue(self, rindex):
6629  """get_contains_residue(Fragment self, int rindex) -> bool"""
6630  return _IMP_atom.Fragment_get_contains_residue(self, rindex)
6631 
6632 
6633  def __init__(self, *args):
6634  """
6635  __init__(IMP::atom::Fragment self) -> Fragment
6636  __init__(IMP::atom::Fragment self, Model m, ParticleIndex id) -> Fragment
6637  __init__(IMP::atom::Fragment self, _ParticleAdaptor d) -> Fragment
6638  """
6639  this = _IMP_atom.new_Fragment(*args)
6640  try:
6641  self.this.append(this)
6642  except:
6643  self.this = this
6644 
6645  def get_is_setup(*args):
6646  """
6647  get_is_setup(Model m, ParticleIndex pi) -> bool
6648  get_is_setup(_ParticleAdaptor p) -> bool
6649  """
6650  return _IMP_atom.Fragment_get_is_setup(*args)
6651 
6652  get_is_setup = staticmethod(get_is_setup)
6653 
6654  def show(self, *args):
6655  """
6656  show(Fragment self, _ostream out)
6657  show(Fragment self)
6658  """
6659  return _IMP_atom.Fragment_show(self, *args)
6660 
6661 
6662  def setup_particle(*args):
6663  """
6664  setup_particle(Model m, ParticleIndex pi) -> Fragment
6665  setup_particle(_ParticleAdaptor decorator) -> Fragment
6666  setup_particle(Model m, ParticleIndex pi, Fragment other) -> Fragment
6667  setup_particle(_ParticleAdaptor decorator, Fragment other) -> Fragment
6668  setup_particle(Model m, ParticleIndex pi, IMP::Ints residue_indexes) -> Fragment
6669  setup_particle(_ParticleAdaptor decorator, IMP::Ints residue_indexes) -> Fragment
6670  """
6671  return _IMP_atom.Fragment_setup_particle(*args)
6672 
6673  setup_particle = staticmethod(setup_particle)
6674 
6675  def add_attribute(self, *args):
6676  """
6677  add_attribute(Fragment self, FloatKey k, IMP::Float v, bool opt)
6678  add_attribute(Fragment self, FloatKey a0, IMP::Float a1)
6679  add_attribute(Fragment self, IntKey a0, IMP::Int a1)
6680  add_attribute(Fragment self, FloatsKey a0, IMP::Floats a1)
6681  add_attribute(Fragment self, IntsKey a0, IMP::Ints a1)
6682  add_attribute(Fragment self, StringKey a0, IMP::String a1)
6683  add_attribute(Fragment self, ParticleIndexKey a0, Particle a1)
6684  add_attribute(Fragment self, ObjectKey a0, Object a1)
6685  """
6686  return _IMP_atom.Fragment_add_attribute(self, *args)
6687 
6688 
6689  def get_value(self, *args):
6690  """
6691  get_value(Fragment self, FloatKey a0) -> IMP::Float
6692  get_value(Fragment self, IntKey a0) -> IMP::Int
6693  get_value(Fragment self, FloatsKey a0) -> IMP::Floats
6694  get_value(Fragment self, IntsKey a0) -> IMP::Ints
6695  get_value(Fragment self, StringKey a0) -> IMP::String
6696  get_value(Fragment self, ParticleIndexKey a0) -> Particle
6697  get_value(Fragment self, ObjectKey a0) -> Object
6698  """
6699  return _IMP_atom.Fragment_get_value(self, *args)
6700 
6701 
6702  def set_value(self, *args):
6703  """
6704  set_value(Fragment self, FloatKey a0, IMP::Float a1)
6705  set_value(Fragment self, IntKey a0, IMP::Int a1)
6706  set_value(Fragment self, FloatsKey a0, IMP::Floats a1)
6707  set_value(Fragment self, IntsKey a0, IMP::Ints a1)
6708  set_value(Fragment self, StringKey a0, IMP::String a1)
6709  set_value(Fragment self, ParticleIndexKey a0, Particle a1)
6710  set_value(Fragment self, ObjectKey a0, Object a1)
6711  """
6712  return _IMP_atom.Fragment_set_value(self, *args)
6713 
6714 
6715  def remove_attribute(self, *args):
6716  """
6717  remove_attribute(Fragment self, FloatKey a0)
6718  remove_attribute(Fragment self, IntKey a0)
6719  remove_attribute(Fragment self, FloatsKey a0)
6720  remove_attribute(Fragment self, IntsKey a0)
6721  remove_attribute(Fragment self, StringKey a0)
6722  remove_attribute(Fragment self, ParticleIndexKey a0)
6723  remove_attribute(Fragment self, ObjectKey a0)
6724  """
6725  return _IMP_atom.Fragment_remove_attribute(self, *args)
6726 
6727 
6728  def has_attribute(self, *args):
6729  """
6730  has_attribute(Fragment self, FloatKey a0) -> bool
6731  has_attribute(Fragment self, IntKey a0) -> bool
6732  has_attribute(Fragment self, FloatsKey a0) -> bool
6733  has_attribute(Fragment self, IntsKey a0) -> bool
6734  has_attribute(Fragment self, StringKey a0) -> bool
6735  has_attribute(Fragment self, ParticleIndexKey a0) -> bool
6736  has_attribute(Fragment self, ObjectKey a0) -> bool
6737  """
6738  return _IMP_atom.Fragment_has_attribute(self, *args)
6739 
6740 
6741  def get_derivative(self, a0):
6742  """get_derivative(Fragment self, FloatKey a0) -> double"""
6743  return _IMP_atom.Fragment_get_derivative(self, a0)
6744 
6745 
6746  def get_name(self):
6747  """get_name(Fragment self) -> std::string"""
6748  return _IMP_atom.Fragment_get_name(self)
6749 
6750 
6751  def clear_caches(self):
6752  """clear_caches(Fragment self)"""
6753  return _IMP_atom.Fragment_clear_caches(self)
6754 
6755 
6756  def set_name(self, a0):
6757  """set_name(Fragment self, std::string a0)"""
6758  return _IMP_atom.Fragment_set_name(self, a0)
6759 
6760 
6761  def set_check_level(self, a0):
6762  """set_check_level(Fragment self, IMP::CheckLevel a0)"""
6763  return _IMP_atom.Fragment_set_check_level(self, a0)
6764 
6765 
6766  def add_to_derivative(self, a0, a1, a2):
6767  """add_to_derivative(Fragment self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
6768  return _IMP_atom.Fragment_add_to_derivative(self, a0, a1, a2)
6769 
6770 
6771  def set_is_optimized(self, a0, a1):
6772  """set_is_optimized(Fragment self, FloatKey a0, bool a1)"""
6773  return _IMP_atom.Fragment_set_is_optimized(self, a0, a1)
6774 
6775 
6776  def get_is_optimized(self, a0):
6777  """get_is_optimized(Fragment self, FloatKey a0) -> bool"""
6778  return _IMP_atom.Fragment_get_is_optimized(self, a0)
6779 
6780 
6781  def get_check_level(self):
6782  """get_check_level(Fragment self) -> IMP::CheckLevel"""
6783  return _IMP_atom.Fragment_get_check_level(self)
6784 
6785 
6786  def __eq__(self, *args):
6787  """
6788  __eq__(Fragment self, Fragment o) -> bool
6789  __eq__(Fragment self, Particle d) -> bool
6790  """
6791  return _IMP_atom.Fragment___eq__(self, *args)
6792 
6793 
6794  def __ne__(self, *args):
6795  """
6796  __ne__(Fragment self, Fragment o) -> bool
6797  __ne__(Fragment self, Particle d) -> bool
6798  """
6799  return _IMP_atom.Fragment___ne__(self, *args)
6800 
6801 
6802  def __le__(self, *args):
6803  """
6804  __le__(Fragment self, Fragment o) -> bool
6805  __le__(Fragment self, Particle d) -> bool
6806  """
6807  return _IMP_atom.Fragment___le__(self, *args)
6808 
6809 
6810  def __lt__(self, *args):
6811  """
6812  __lt__(Fragment self, Fragment o) -> bool
6813  __lt__(Fragment self, Particle d) -> bool
6814  """
6815  return _IMP_atom.Fragment___lt__(self, *args)
6816 
6817 
6818  def __ge__(self, *args):
6819  """
6820  __ge__(Fragment self, Fragment o) -> bool
6821  __ge__(Fragment self, Particle d) -> bool
6822  """
6823  return _IMP_atom.Fragment___ge__(self, *args)
6824 
6825 
6826  def __gt__(self, *args):
6827  """
6828  __gt__(Fragment self, Fragment o) -> bool
6829  __gt__(Fragment self, Particle d) -> bool
6830  """
6831  return _IMP_atom.Fragment___gt__(self, *args)
6832 
6833 
6834  def __hash__(self):
6835  """__hash__(Fragment self) -> std::size_t"""
6836  return _IMP_atom.Fragment___hash__(self)
6837 
6838 
6839  def __str__(self):
6840  """__str__(Fragment self) -> std::string"""
6841  return _IMP_atom.Fragment___str__(self)
6842 
6843 
6844  def __repr__(self):
6845  """__repr__(Fragment self) -> std::string"""
6846  return _IMP_atom.Fragment___repr__(self)
6847 
6848  __swig_destroy__ = _IMP_atom.delete_Fragment
6849  __del__ = lambda self: None
6850 Fragment_swigregister = _IMP_atom.Fragment_swigregister
6851 Fragment_swigregister(Fragment)
6852 
6853 def Fragment_get_is_setup(*args):
6854  """
6855  get_is_setup(Model m, ParticleIndex pi) -> bool
6856  Fragment_get_is_setup(_ParticleAdaptor p) -> bool
6857  """
6858  return _IMP_atom.Fragment_get_is_setup(*args)
6859 
6860 def Fragment_setup_particle(*args):
6861  """
6862  setup_particle(Model m, ParticleIndex pi) -> Fragment
6863  setup_particle(_ParticleAdaptor decorator) -> Fragment
6864  setup_particle(Model m, ParticleIndex pi, Fragment other) -> Fragment
6865  setup_particle(_ParticleAdaptor decorator, Fragment other) -> Fragment
6866  setup_particle(Model m, ParticleIndex pi, IMP::Ints residue_indexes) -> Fragment
6867  Fragment_setup_particle(_ParticleAdaptor decorator, IMP::Ints residue_indexes) -> Fragment
6868  """
6869  return _IMP_atom.Fragment_setup_particle(*args)
6870 
6871 class StereochemistryPairFilter(IMP.PairPredicate):
6872  """Proxy of C++ IMP::atom::StereochemistryPairFilter class"""
6873  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6874 
6875  def __init__(self):
6876  """__init__(IMP::atom::StereochemistryPairFilter self) -> StereochemistryPairFilter"""
6877  this = _IMP_atom.new_StereochemistryPairFilter()
6878  try:
6879  self.this.append(this)
6880  except:
6881  self.this = this
6882 
6883  def set_bonds(self, bonds):
6884  """set_bonds(StereochemistryPairFilter self, IMP::Particles const & bonds)"""
6885  return _IMP_atom.StereochemistryPairFilter_set_bonds(self, bonds)
6886 
6887 
6888  def set_angles(self, angles):
6889  """set_angles(StereochemistryPairFilter self, IMP::Particles const & angles)"""
6890  return _IMP_atom.StereochemistryPairFilter_set_angles(self, angles)
6891 
6892 
6893  def set_dihedrals(self, dihedrals):
6894  """set_dihedrals(StereochemistryPairFilter self, IMP::Particles const & dihedrals)"""
6895  return _IMP_atom.StereochemistryPairFilter_set_dihedrals(self, dihedrals)
6896 
6897 
6898  def do_get_inputs(self, m, pis):
6899  """do_get_inputs(StereochemistryPairFilter self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6900  return _IMP_atom.StereochemistryPairFilter_do_get_inputs(self, m, pis)
6901 
6902 
6903  def get_value(self, *args):
6904  """
6905  get_value(StereochemistryPairFilter self, IMP::ParticlePair const & a) -> int
6906  get_value(StereochemistryPairFilter self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
6907  """
6908  return _IMP_atom.StereochemistryPairFilter_get_value(self, *args)
6909 
6910 
6911  def get_value_index(self, *args):
6912  """
6913  get_value_index(StereochemistryPairFilter self, Model m, IMP::ParticleIndexPair const & p) -> int
6914  get_value_index(StereochemistryPairFilter self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
6915  """
6916  return _IMP_atom.StereochemistryPairFilter_get_value_index(self, *args)
6917 
6918 
6919  def get_version_info(self):
6920  """get_version_info(StereochemistryPairFilter self) -> VersionInfo"""
6921  return _IMP_atom.StereochemistryPairFilter_get_version_info(self)
6922 
6923 
6924  def __str__(self):
6925  """__str__(StereochemistryPairFilter self) -> std::string"""
6926  return _IMP_atom.StereochemistryPairFilter___str__(self)
6927 
6928 
6929  def __repr__(self):
6930  """__repr__(StereochemistryPairFilter self) -> std::string"""
6931  return _IMP_atom.StereochemistryPairFilter___repr__(self)
6932 
6933 
6934  @staticmethod
6935  def get_from(o):
6936  return _object_cast_to_StereochemistryPairFilter(o)
6937 
6938 StereochemistryPairFilter_swigregister = _IMP_atom.StereochemistryPairFilter_swigregister
6939 StereochemistryPairFilter_swigregister(StereochemistryPairFilter)
6940 
6941 class SoapPairFilter(IMP.PairPredicate):
6942  """Proxy of C++ IMP::atom::SoapPairFilter class"""
6943  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6944 
6945  def __init__(self, library):
6946  """__init__(IMP::atom::SoapPairFilter self, std::string library) -> SoapPairFilter"""
6947  this = _IMP_atom.new_SoapPairFilter(library)
6948  try:
6949  self.this.append(this)
6950  except:
6951  self.this = this
6952 
6953  def do_get_inputs(self, m, pis):
6954  """do_get_inputs(SoapPairFilter self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
6955  return _IMP_atom.SoapPairFilter_do_get_inputs(self, m, pis)
6956 
6957 
6958  def get_value(self, *args):
6959  """
6960  get_value(SoapPairFilter self, IMP::ParticlePair const & a) -> int
6961  get_value(SoapPairFilter self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
6962  """
6963  return _IMP_atom.SoapPairFilter_get_value(self, *args)
6964 
6965 
6966  def get_value_index(self, *args):
6967  """
6968  get_value_index(SoapPairFilter self, Model m, IMP::ParticleIndexPair const & p) -> int
6969  get_value_index(SoapPairFilter self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
6970  """
6971  return _IMP_atom.SoapPairFilter_get_value_index(self, *args)
6972 
6973 
6974  def get_version_info(self):
6975  """get_version_info(SoapPairFilter self) -> VersionInfo"""
6976  return _IMP_atom.SoapPairFilter_get_version_info(self)
6977 
6978 
6979  def __str__(self):
6980  """__str__(SoapPairFilter self) -> std::string"""
6981  return _IMP_atom.SoapPairFilter___str__(self)
6982 
6983 
6984  def __repr__(self):
6985  """__repr__(SoapPairFilter self) -> std::string"""
6986  return _IMP_atom.SoapPairFilter___repr__(self)
6987 
6988 
6989  @staticmethod
6990  def get_from(o):
6991  return _object_cast_to_SoapPairFilter(o)
6992 
6993 SoapPairFilter_swigregister = _IMP_atom.SoapPairFilter_swigregister
6994 SoapPairFilter_swigregister(SoapPairFilter)
6995 
6996 class Mass(IMP.Decorator):
6997  """Proxy of C++ IMP::atom::Mass class"""
6998  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
6999 
7000  def get_mass(self):
7001  """get_mass(Mass self) -> IMP::Float"""
7002  return _IMP_atom.Mass_get_mass(self)
7003 
7004 
7005  def set_mass(self, d):
7006  """set_mass(Mass self, IMP::Float d)"""
7007  return _IMP_atom.Mass_set_mass(self, d)
7008 
7009 
7010  def __init__(self, *args):
7011  """
7012  __init__(IMP::atom::Mass self) -> Mass
7013  __init__(IMP::atom::Mass self, Model m, ParticleIndex id) -> Mass
7014  __init__(IMP::atom::Mass self, _ParticleAdaptor d) -> Mass
7015  """
7016  this = _IMP_atom.new_Mass(*args)
7017  try:
7018  self.this.append(this)
7019  except:
7020  self.this = this
7021 
7022  def get_is_setup(*args):
7023  """
7024  get_is_setup(Model m, ParticleIndex pi) -> bool
7025  get_is_setup(_ParticleAdaptor p) -> bool
7026  """
7027  return _IMP_atom.Mass_get_is_setup(*args)
7028 
7029  get_is_setup = staticmethod(get_is_setup)
7030 
7031  def show(self, *args):
7032  """
7033  show(Mass self, _ostream out)
7034  show(Mass self)
7035  """
7036  return _IMP_atom.Mass_show(self, *args)
7037 
7038 
7039  def setup_particle(*args):
7040  """
7041  setup_particle(Model m, ParticleIndex pi, IMP::Float mass) -> Mass
7042  setup_particle(_ParticleAdaptor decorator, IMP::Float mass) -> Mass
7043  setup_particle(Model m, ParticleIndex pi, Mass other) -> Mass
7044  setup_particle(_ParticleAdaptor decorator, Mass other) -> Mass
7045  """
7046  return _IMP_atom.Mass_setup_particle(*args)
7047 
7048  setup_particle = staticmethod(setup_particle)
7049 
7050  def get_mass_key():
7051  """get_mass_key() -> FloatKey"""
7052  return _IMP_atom.Mass_get_mass_key()
7053 
7054  get_mass_key = staticmethod(get_mass_key)
7055 
7056  def add_attribute(self, *args):
7057  """
7058  add_attribute(Mass self, FloatKey k, IMP::Float v, bool opt)
7059  add_attribute(Mass self, FloatKey a0, IMP::Float a1)
7060  add_attribute(Mass self, IntKey a0, IMP::Int a1)
7061  add_attribute(Mass self, FloatsKey a0, IMP::Floats a1)
7062  add_attribute(Mass self, IntsKey a0, IMP::Ints a1)
7063  add_attribute(Mass self, StringKey a0, IMP::String a1)
7064  add_attribute(Mass self, ParticleIndexKey a0, Particle a1)
7065  add_attribute(Mass self, ObjectKey a0, Object a1)
7066  """
7067  return _IMP_atom.Mass_add_attribute(self, *args)
7068 
7069 
7070  def get_value(self, *args):
7071  """
7072  get_value(Mass self, FloatKey a0) -> IMP::Float
7073  get_value(Mass self, IntKey a0) -> IMP::Int
7074  get_value(Mass self, FloatsKey a0) -> IMP::Floats
7075  get_value(Mass self, IntsKey a0) -> IMP::Ints
7076  get_value(Mass self, StringKey a0) -> IMP::String
7077  get_value(Mass self, ParticleIndexKey a0) -> Particle
7078  get_value(Mass self, ObjectKey a0) -> Object
7079  """
7080  return _IMP_atom.Mass_get_value(self, *args)
7081 
7082 
7083  def set_value(self, *args):
7084  """
7085  set_value(Mass self, FloatKey a0, IMP::Float a1)
7086  set_value(Mass self, IntKey a0, IMP::Int a1)
7087  set_value(Mass self, FloatsKey a0, IMP::Floats a1)
7088  set_value(Mass self, IntsKey a0, IMP::Ints a1)
7089  set_value(Mass self, StringKey a0, IMP::String a1)
7090  set_value(Mass self, ParticleIndexKey a0, Particle a1)
7091  set_value(Mass self, ObjectKey a0, Object a1)
7092  """
7093  return _IMP_atom.Mass_set_value(self, *args)
7094 
7095 
7096  def remove_attribute(self, *args):
7097  """
7098  remove_attribute(Mass self, FloatKey a0)
7099  remove_attribute(Mass self, IntKey a0)
7100  remove_attribute(Mass self, FloatsKey a0)
7101  remove_attribute(Mass self, IntsKey a0)
7102  remove_attribute(Mass self, StringKey a0)
7103  remove_attribute(Mass self, ParticleIndexKey a0)
7104  remove_attribute(Mass self, ObjectKey a0)
7105  """
7106  return _IMP_atom.Mass_remove_attribute(self, *args)
7107 
7108 
7109  def has_attribute(self, *args):
7110  """
7111  has_attribute(Mass self, FloatKey a0) -> bool
7112  has_attribute(Mass self, IntKey a0) -> bool
7113  has_attribute(Mass self, FloatsKey a0) -> bool
7114  has_attribute(Mass self, IntsKey a0) -> bool
7115  has_attribute(Mass self, StringKey a0) -> bool
7116  has_attribute(Mass self, ParticleIndexKey a0) -> bool
7117  has_attribute(Mass self, ObjectKey a0) -> bool
7118  """
7119  return _IMP_atom.Mass_has_attribute(self, *args)
7120 
7121 
7122  def get_derivative(self, a0):
7123  """get_derivative(Mass self, FloatKey a0) -> double"""
7124  return _IMP_atom.Mass_get_derivative(self, a0)
7125 
7126 
7127  def get_name(self):
7128  """get_name(Mass self) -> std::string"""
7129  return _IMP_atom.Mass_get_name(self)
7130 
7131 
7132  def clear_caches(self):
7133  """clear_caches(Mass self)"""
7134  return _IMP_atom.Mass_clear_caches(self)
7135 
7136 
7137  def set_name(self, a0):
7138  """set_name(Mass self, std::string a0)"""
7139  return _IMP_atom.Mass_set_name(self, a0)
7140 
7141 
7142  def set_check_level(self, a0):
7143  """set_check_level(Mass self, IMP::CheckLevel a0)"""
7144  return _IMP_atom.Mass_set_check_level(self, a0)
7145 
7146 
7147  def add_to_derivative(self, a0, a1, a2):
7148  """add_to_derivative(Mass self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7149  return _IMP_atom.Mass_add_to_derivative(self, a0, a1, a2)
7150 
7151 
7152  def set_is_optimized(self, a0, a1):
7153  """set_is_optimized(Mass self, FloatKey a0, bool a1)"""
7154  return _IMP_atom.Mass_set_is_optimized(self, a0, a1)
7155 
7156 
7157  def get_is_optimized(self, a0):
7158  """get_is_optimized(Mass self, FloatKey a0) -> bool"""
7159  return _IMP_atom.Mass_get_is_optimized(self, a0)
7160 
7161 
7162  def get_check_level(self):
7163  """get_check_level(Mass self) -> IMP::CheckLevel"""
7164  return _IMP_atom.Mass_get_check_level(self)
7165 
7166 
7167  def __eq__(self, *args):
7168  """
7169  __eq__(Mass self, Mass o) -> bool
7170  __eq__(Mass self, Particle d) -> bool
7171  """
7172  return _IMP_atom.Mass___eq__(self, *args)
7173 
7174 
7175  def __ne__(self, *args):
7176  """
7177  __ne__(Mass self, Mass o) -> bool
7178  __ne__(Mass self, Particle d) -> bool
7179  """
7180  return _IMP_atom.Mass___ne__(self, *args)
7181 
7182 
7183  def __le__(self, *args):
7184  """
7185  __le__(Mass self, Mass o) -> bool
7186  __le__(Mass self, Particle d) -> bool
7187  """
7188  return _IMP_atom.Mass___le__(self, *args)
7189 
7190 
7191  def __lt__(self, *args):
7192  """
7193  __lt__(Mass self, Mass o) -> bool
7194  __lt__(Mass self, Particle d) -> bool
7195  """
7196  return _IMP_atom.Mass___lt__(self, *args)
7197 
7198 
7199  def __ge__(self, *args):
7200  """
7201  __ge__(Mass self, Mass o) -> bool
7202  __ge__(Mass self, Particle d) -> bool
7203  """
7204  return _IMP_atom.Mass___ge__(self, *args)
7205 
7206 
7207  def __gt__(self, *args):
7208  """
7209  __gt__(Mass self, Mass o) -> bool
7210  __gt__(Mass self, Particle d) -> bool
7211  """
7212  return _IMP_atom.Mass___gt__(self, *args)
7213 
7214 
7215  def __hash__(self):
7216  """__hash__(Mass self) -> std::size_t"""
7217  return _IMP_atom.Mass___hash__(self)
7218 
7219 
7220  def __str__(self):
7221  """__str__(Mass self) -> std::string"""
7222  return _IMP_atom.Mass___str__(self)
7223 
7224 
7225  def __repr__(self):
7226  """__repr__(Mass self) -> std::string"""
7227  return _IMP_atom.Mass___repr__(self)
7228 
7229  __swig_destroy__ = _IMP_atom.delete_Mass
7230  __del__ = lambda self: None
7231 Mass_swigregister = _IMP_atom.Mass_swigregister
7232 Mass_swigregister(Mass)
7233 
7234 def Mass_get_is_setup(*args):
7235  """
7236  get_is_setup(Model m, ParticleIndex pi) -> bool
7237  Mass_get_is_setup(_ParticleAdaptor p) -> bool
7238  """
7239  return _IMP_atom.Mass_get_is_setup(*args)
7240 
7241 def Mass_setup_particle(*args):
7242  """
7243  setup_particle(Model m, ParticleIndex pi, IMP::Float mass) -> Mass
7244  setup_particle(_ParticleAdaptor decorator, IMP::Float mass) -> Mass
7245  setup_particle(Model m, ParticleIndex pi, Mass other) -> Mass
7246  Mass_setup_particle(_ParticleAdaptor decorator, Mass other) -> Mass
7247  """
7248  return _IMP_atom.Mass_setup_particle(*args)
7249 
7250 def Mass_get_mass_key():
7251  """Mass_get_mass_key() -> FloatKey"""
7252  return _IMP_atom.Mass_get_mass_key()
7253 
7254 class BondedPairFilter(IMP.PairPredicate):
7255  """Proxy of C++ IMP::atom::BondedPairFilter class"""
7256  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7257 
7258  def __init__(self):
7259  """__init__(IMP::atom::BondedPairFilter self) -> BondedPairFilter"""
7260  this = _IMP_atom.new_BondedPairFilter()
7261  try:
7262  self.this.append(this)
7263  except:
7264  self.this = this
7265 
7266  def do_get_inputs(self, m, pis):
7267  """do_get_inputs(BondedPairFilter self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7268  return _IMP_atom.BondedPairFilter_do_get_inputs(self, m, pis)
7269 
7270 
7271  def get_value(self, *args):
7272  """
7273  get_value(BondedPairFilter self, IMP::ParticlePair const & a) -> int
7274  get_value(BondedPairFilter self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
7275  """
7276  return _IMP_atom.BondedPairFilter_get_value(self, *args)
7277 
7278 
7279  def get_value_index(self, *args):
7280  """
7281  get_value_index(BondedPairFilter self, Model m, IMP::ParticleIndexPair const & p) -> int
7282  get_value_index(BondedPairFilter self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
7283  """
7284  return _IMP_atom.BondedPairFilter_get_value_index(self, *args)
7285 
7286 
7287  def get_version_info(self):
7288  """get_version_info(BondedPairFilter self) -> VersionInfo"""
7289  return _IMP_atom.BondedPairFilter_get_version_info(self)
7290 
7291 
7292  def __str__(self):
7293  """__str__(BondedPairFilter self) -> std::string"""
7294  return _IMP_atom.BondedPairFilter___str__(self)
7295 
7296 
7297  def __repr__(self):
7298  """__repr__(BondedPairFilter self) -> std::string"""
7299  return _IMP_atom.BondedPairFilter___repr__(self)
7300 
7301 
7302  @staticmethod
7303  def get_from(o):
7304  return _object_cast_to_BondedPairFilter(o)
7305 
7306 BondedPairFilter_swigregister = _IMP_atom.BondedPairFilter_swigregister
7307 BondedPairFilter_swigregister(BondedPairFilter)
7308 
7309 class Mol2Selector(IMP.Object):
7310  """Proxy of C++ IMP::atom::Mol2Selector class"""
7311  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7312 
7313  def __init__(self, *args, **kwargs):
7314  raise AttributeError("No constructor defined - class is abstract")
7315 
7316  def get_is_selected(self, atom_line):
7317  """get_is_selected(Mol2Selector self, std::string const & atom_line) -> bool"""
7318  return _IMP_atom.Mol2Selector_get_is_selected(self, atom_line)
7319 
7320  __swig_destroy__ = _IMP_atom.delete_Mol2Selector
7321  __del__ = lambda self: None
7322 
7323  def __str__(self):
7324  """__str__(Mol2Selector self) -> std::string"""
7325  return _IMP_atom.Mol2Selector___str__(self)
7326 
7327 
7328  def __repr__(self):
7329  """__repr__(Mol2Selector self) -> std::string"""
7330  return _IMP_atom.Mol2Selector___repr__(self)
7331 
7332 
7333  @staticmethod
7334  def get_from(o):
7335  return _object_cast_to_Mol2Selector(o)
7336 
7337 Mol2Selector_swigregister = _IMP_atom.Mol2Selector_swigregister
7338 Mol2Selector_swigregister(Mol2Selector)
7339 
7340 class AllMol2Selector(Mol2Selector):
7341  """Proxy of C++ IMP::atom::AllMol2Selector class"""
7342  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7343 
7344  def __str__(self):
7345  """__str__(AllMol2Selector self) -> std::string"""
7346  return _IMP_atom.AllMol2Selector___str__(self)
7347 
7348 
7349  def __repr__(self):
7350  """__repr__(AllMol2Selector self) -> std::string"""
7351  return _IMP_atom.AllMol2Selector___repr__(self)
7352 
7353 
7354  @staticmethod
7355  def get_from(o):
7356  return _object_cast_to_AllMol2Selector(o)
7357 
7358 
7359  def __init__(self):
7360  """__init__(IMP::atom::AllMol2Selector self) -> AllMol2Selector"""
7361  this = _IMP_atom.new_AllMol2Selector()
7362  try:
7363  self.this.append(this)
7364  except:
7365  self.this = this
7366  __swig_destroy__ = _IMP_atom.delete_AllMol2Selector
7367  __del__ = lambda self: None
7368 AllMol2Selector_swigregister = _IMP_atom.AllMol2Selector_swigregister
7369 AllMol2Selector_swigregister(AllMol2Selector)
7370 
7371 class NonHydrogenMol2Selector(Mol2Selector):
7372  """Proxy of C++ IMP::atom::NonHydrogenMol2Selector class"""
7373  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7374 
7375  def __str__(self):
7376  """__str__(NonHydrogenMol2Selector self) -> std::string"""
7377  return _IMP_atom.NonHydrogenMol2Selector___str__(self)
7378 
7379 
7380  def __repr__(self):
7381  """__repr__(NonHydrogenMol2Selector self) -> std::string"""
7382  return _IMP_atom.NonHydrogenMol2Selector___repr__(self)
7383 
7384 
7385  @staticmethod
7386  def get_from(o):
7387  return _object_cast_to_NonHydrogenMol2Selector(o)
7388 
7389 
7390  def __init__(self):
7391  """__init__(IMP::atom::NonHydrogenMol2Selector self) -> NonHydrogenMol2Selector"""
7392  this = _IMP_atom.new_NonHydrogenMol2Selector()
7393  try:
7394  self.this.append(this)
7395  except:
7396  self.this = this
7397  __swig_destroy__ = _IMP_atom.delete_NonHydrogenMol2Selector
7398  __del__ = lambda self: None
7399 NonHydrogenMol2Selector_swigregister = _IMP_atom.NonHydrogenMol2Selector_swigregister
7400 NonHydrogenMol2Selector_swigregister(NonHydrogenMol2Selector)
7401 
7402 
7403 def read_mol2(mol2_file, model, mol2sel=None):
7404  """
7405  read_mol2(TextInput mol2_file, Model model, Mol2Selector mol2sel=None) -> Hierarchy
7406  read_mol2(TextInput mol2_file, Model model) -> Hierarchy
7407  """
7408  return _IMP_atom.read_mol2(mol2_file, model, mol2sel)
7409 
7410 def write_mol2(rhd, file_name):
7411  """write_mol2(Hierarchy rhd, TextOutput file_name)"""
7412  return _IMP_atom.write_mol2(rhd, file_name)
7413 class SecondaryStructureResidue(IMP.Decorator):
7414  """Proxy of C++ IMP::atom::SecondaryStructureResidue class"""
7415  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7416 
7417  def __init__(self, *args):
7418  """
7419  __init__(IMP::atom::SecondaryStructureResidue self) -> SecondaryStructureResidue
7420  __init__(IMP::atom::SecondaryStructureResidue self, Model m, ParticleIndex id) -> SecondaryStructureResidue
7421  __init__(IMP::atom::SecondaryStructureResidue self, _ParticleAdaptor d) -> SecondaryStructureResidue
7422  """
7423  this = _IMP_atom.new_SecondaryStructureResidue(*args)
7424  try:
7425  self.this.append(this)
7426  except:
7427  self.this = this
7428 
7429  def show(self, *args):
7430  """
7431  show(SecondaryStructureResidue self, _ostream out)
7432  show(SecondaryStructureResidue self)
7433  """
7434  return _IMP_atom.SecondaryStructureResidue_show(self, *args)
7435 
7436 
7437  def setup_particle(*args):
7438  """
7439  setup_particle(Model m, ParticleIndex pi, IMP::Float prob_helix, IMP::Float prob_strand, IMP::Float prob_coil) -> SecondaryStructureResidue
7440  setup_particle(_ParticleAdaptor decorator, IMP::Float prob_helix, IMP::Float prob_strand, IMP::Float prob_coil) -> SecondaryStructureResidue
7441  setup_particle(Particle res_p) -> SecondaryStructureResidue
7442  """
7443  return _IMP_atom.SecondaryStructureResidue_setup_particle(*args)
7444 
7445  setup_particle = staticmethod(setup_particle)
7446 
7447  def get_is_setup(*args):
7448  """
7449  get_is_setup(_ParticleAdaptor p) -> bool
7450  get_is_setup(Model m, ParticleIndex pi) -> bool
7451  """
7452  return _IMP_atom.SecondaryStructureResidue_get_is_setup(*args)
7453 
7454  get_is_setup = staticmethod(get_is_setup)
7455 
7456  def get_particle(self):
7457  """get_particle(SecondaryStructureResidue self) -> Particle"""
7458  return _IMP_atom.SecondaryStructureResidue_get_particle(self)
7459 
7460 
7461  def get_all_probabilities(self):
7462  """get_all_probabilities(SecondaryStructureResidue self) -> IMP::Floats"""
7463  return _IMP_atom.SecondaryStructureResidue_get_all_probabilities(self)
7464 
7465 
7466  def get_prob_helix(self):
7467  """get_prob_helix(SecondaryStructureResidue self) -> IMP::Float"""
7468  return _IMP_atom.SecondaryStructureResidue_get_prob_helix(self)
7469 
7470 
7471  def set_prob_helix(self, t):
7472  """set_prob_helix(SecondaryStructureResidue self, IMP::Float t)"""
7473  return _IMP_atom.SecondaryStructureResidue_set_prob_helix(self, t)
7474 
7475 
7476  def get_prob_strand(self):
7477  """get_prob_strand(SecondaryStructureResidue self) -> IMP::Float"""
7478  return _IMP_atom.SecondaryStructureResidue_get_prob_strand(self)
7479 
7480 
7481  def set_prob_strand(self, t):
7482  """set_prob_strand(SecondaryStructureResidue self, IMP::Float t)"""
7483  return _IMP_atom.SecondaryStructureResidue_set_prob_strand(self, t)
7484 
7485 
7486  def get_prob_coil(self):
7487  """get_prob_coil(SecondaryStructureResidue self) -> IMP::Float"""
7488  return _IMP_atom.SecondaryStructureResidue_get_prob_coil(self)
7489 
7490 
7491  def set_prob_coil(self, t):
7492  """set_prob_coil(SecondaryStructureResidue self, IMP::Float t)"""
7493  return _IMP_atom.SecondaryStructureResidue_set_prob_coil(self, t)
7494 
7495 
7496  def get_prob_helix_key():
7497  """get_prob_helix_key() -> FloatKey"""
7498  return _IMP_atom.SecondaryStructureResidue_get_prob_helix_key()
7499 
7500  get_prob_helix_key = staticmethod(get_prob_helix_key)
7501 
7502  def get_prob_strand_key():
7503  """get_prob_strand_key() -> FloatKey"""
7504  return _IMP_atom.SecondaryStructureResidue_get_prob_strand_key()
7505 
7506  get_prob_strand_key = staticmethod(get_prob_strand_key)
7507 
7508  def get_prob_coil_key():
7509  """get_prob_coil_key() -> FloatKey"""
7510  return _IMP_atom.SecondaryStructureResidue_get_prob_coil_key()
7511 
7512  get_prob_coil_key = staticmethod(get_prob_coil_key)
7513 
7514  def add_attribute(self, *args):
7515  """
7516  add_attribute(SecondaryStructureResidue self, FloatKey k, IMP::Float v, bool opt)
7517  add_attribute(SecondaryStructureResidue self, FloatKey a0, IMP::Float a1)
7518  add_attribute(SecondaryStructureResidue self, IntKey a0, IMP::Int a1)
7519  add_attribute(SecondaryStructureResidue self, FloatsKey a0, IMP::Floats a1)
7520  add_attribute(SecondaryStructureResidue self, IntsKey a0, IMP::Ints a1)
7521  add_attribute(SecondaryStructureResidue self, StringKey a0, IMP::String a1)
7522  add_attribute(SecondaryStructureResidue self, ParticleIndexKey a0, Particle a1)
7523  add_attribute(SecondaryStructureResidue self, ObjectKey a0, Object a1)
7524  """
7525  return _IMP_atom.SecondaryStructureResidue_add_attribute(self, *args)
7526 
7527 
7528  def get_value(self, *args):
7529  """
7530  get_value(SecondaryStructureResidue self, FloatKey a0) -> IMP::Float
7531  get_value(SecondaryStructureResidue self, IntKey a0) -> IMP::Int
7532  get_value(SecondaryStructureResidue self, FloatsKey a0) -> IMP::Floats
7533  get_value(SecondaryStructureResidue self, IntsKey a0) -> IMP::Ints
7534  get_value(SecondaryStructureResidue self, StringKey a0) -> IMP::String
7535  get_value(SecondaryStructureResidue self, ParticleIndexKey a0) -> Particle
7536  get_value(SecondaryStructureResidue self, ObjectKey a0) -> Object
7537  """
7538  return _IMP_atom.SecondaryStructureResidue_get_value(self, *args)
7539 
7540 
7541  def set_value(self, *args):
7542  """
7543  set_value(SecondaryStructureResidue self, FloatKey a0, IMP::Float a1)
7544  set_value(SecondaryStructureResidue self, IntKey a0, IMP::Int a1)
7545  set_value(SecondaryStructureResidue self, FloatsKey a0, IMP::Floats a1)
7546  set_value(SecondaryStructureResidue self, IntsKey a0, IMP::Ints a1)
7547  set_value(SecondaryStructureResidue self, StringKey a0, IMP::String a1)
7548  set_value(SecondaryStructureResidue self, ParticleIndexKey a0, Particle a1)
7549  set_value(SecondaryStructureResidue self, ObjectKey a0, Object a1)
7550  """
7551  return _IMP_atom.SecondaryStructureResidue_set_value(self, *args)
7552 
7553 
7554  def remove_attribute(self, *args):
7555  """
7556  remove_attribute(SecondaryStructureResidue self, FloatKey a0)
7557  remove_attribute(SecondaryStructureResidue self, IntKey a0)
7558  remove_attribute(SecondaryStructureResidue self, FloatsKey a0)
7559  remove_attribute(SecondaryStructureResidue self, IntsKey a0)
7560  remove_attribute(SecondaryStructureResidue self, StringKey a0)
7561  remove_attribute(SecondaryStructureResidue self, ParticleIndexKey a0)
7562  remove_attribute(SecondaryStructureResidue self, ObjectKey a0)
7563  """
7564  return _IMP_atom.SecondaryStructureResidue_remove_attribute(self, *args)
7565 
7566 
7567  def has_attribute(self, *args):
7568  """
7569  has_attribute(SecondaryStructureResidue self, FloatKey a0) -> bool
7570  has_attribute(SecondaryStructureResidue self, IntKey a0) -> bool
7571  has_attribute(SecondaryStructureResidue self, FloatsKey a0) -> bool
7572  has_attribute(SecondaryStructureResidue self, IntsKey a0) -> bool
7573  has_attribute(SecondaryStructureResidue self, StringKey a0) -> bool
7574  has_attribute(SecondaryStructureResidue self, ParticleIndexKey a0) -> bool
7575  has_attribute(SecondaryStructureResidue self, ObjectKey a0) -> bool
7576  """
7577  return _IMP_atom.SecondaryStructureResidue_has_attribute(self, *args)
7578 
7579 
7580  def get_derivative(self, a0):
7581  """get_derivative(SecondaryStructureResidue self, FloatKey a0) -> double"""
7582  return _IMP_atom.SecondaryStructureResidue_get_derivative(self, a0)
7583 
7584 
7585  def get_name(self):
7586  """get_name(SecondaryStructureResidue self) -> std::string"""
7587  return _IMP_atom.SecondaryStructureResidue_get_name(self)
7588 
7589 
7590  def clear_caches(self):
7591  """clear_caches(SecondaryStructureResidue self)"""
7592  return _IMP_atom.SecondaryStructureResidue_clear_caches(self)
7593 
7594 
7595  def set_name(self, a0):
7596  """set_name(SecondaryStructureResidue self, std::string a0)"""
7597  return _IMP_atom.SecondaryStructureResidue_set_name(self, a0)
7598 
7599 
7600  def set_check_level(self, a0):
7601  """set_check_level(SecondaryStructureResidue self, IMP::CheckLevel a0)"""
7602  return _IMP_atom.SecondaryStructureResidue_set_check_level(self, a0)
7603 
7604 
7605  def add_to_derivative(self, a0, a1, a2):
7606  """add_to_derivative(SecondaryStructureResidue self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
7607  return _IMP_atom.SecondaryStructureResidue_add_to_derivative(self, a0, a1, a2)
7608 
7609 
7610  def set_is_optimized(self, a0, a1):
7611  """set_is_optimized(SecondaryStructureResidue self, FloatKey a0, bool a1)"""
7612  return _IMP_atom.SecondaryStructureResidue_set_is_optimized(self, a0, a1)
7613 
7614 
7615  def get_is_optimized(self, a0):
7616  """get_is_optimized(SecondaryStructureResidue self, FloatKey a0) -> bool"""
7617  return _IMP_atom.SecondaryStructureResidue_get_is_optimized(self, a0)
7618 
7619 
7620  def get_check_level(self):
7621  """get_check_level(SecondaryStructureResidue self) -> IMP::CheckLevel"""
7622  return _IMP_atom.SecondaryStructureResidue_get_check_level(self)
7623 
7624 
7625  def __eq__(self, *args):
7626  """
7627  __eq__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
7628  __eq__(SecondaryStructureResidue self, Particle d) -> bool
7629  """
7630  return _IMP_atom.SecondaryStructureResidue___eq__(self, *args)
7631 
7632 
7633  def __ne__(self, *args):
7634  """
7635  __ne__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
7636  __ne__(SecondaryStructureResidue self, Particle d) -> bool
7637  """
7638  return _IMP_atom.SecondaryStructureResidue___ne__(self, *args)
7639 
7640 
7641  def __le__(self, *args):
7642  """
7643  __le__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
7644  __le__(SecondaryStructureResidue self, Particle d) -> bool
7645  """
7646  return _IMP_atom.SecondaryStructureResidue___le__(self, *args)
7647 
7648 
7649  def __lt__(self, *args):
7650  """
7651  __lt__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
7652  __lt__(SecondaryStructureResidue self, Particle d) -> bool
7653  """
7654  return _IMP_atom.SecondaryStructureResidue___lt__(self, *args)
7655 
7656 
7657  def __ge__(self, *args):
7658  """
7659  __ge__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
7660  __ge__(SecondaryStructureResidue self, Particle d) -> bool
7661  """
7662  return _IMP_atom.SecondaryStructureResidue___ge__(self, *args)
7663 
7664 
7665  def __gt__(self, *args):
7666  """
7667  __gt__(SecondaryStructureResidue self, SecondaryStructureResidue o) -> bool
7668  __gt__(SecondaryStructureResidue self, Particle d) -> bool
7669  """
7670  return _IMP_atom.SecondaryStructureResidue___gt__(self, *args)
7671 
7672 
7673  def __hash__(self):
7674  """__hash__(SecondaryStructureResidue self) -> std::size_t"""
7675  return _IMP_atom.SecondaryStructureResidue___hash__(self)
7676 
7677 
7678  def __str__(self):
7679  """__str__(SecondaryStructureResidue self) -> std::string"""
7680  return _IMP_atom.SecondaryStructureResidue___str__(self)
7681 
7682 
7683  def __repr__(self):
7684  """__repr__(SecondaryStructureResidue self) -> std::string"""
7685  return _IMP_atom.SecondaryStructureResidue___repr__(self)
7686 
7687  __swig_destroy__ = _IMP_atom.delete_SecondaryStructureResidue
7688  __del__ = lambda self: None
7689 SecondaryStructureResidue_swigregister = _IMP_atom.SecondaryStructureResidue_swigregister
7690 SecondaryStructureResidue_swigregister(SecondaryStructureResidue)
7691 
7692 def SecondaryStructureResidue_setup_particle(*args):
7693  """
7694  setup_particle(Model m, ParticleIndex pi, IMP::Float prob_helix, IMP::Float prob_strand, IMP::Float prob_coil) -> SecondaryStructureResidue
7695  setup_particle(_ParticleAdaptor decorator, IMP::Float prob_helix, IMP::Float prob_strand, IMP::Float prob_coil) -> SecondaryStructureResidue
7696  SecondaryStructureResidue_setup_particle(Particle res_p) -> SecondaryStructureResidue
7697  """
7698  return _IMP_atom.SecondaryStructureResidue_setup_particle(*args)
7699 
7700 def SecondaryStructureResidue_get_is_setup(*args):
7701  """
7702  get_is_setup(_ParticleAdaptor p) -> bool
7703  SecondaryStructureResidue_get_is_setup(Model m, ParticleIndex pi) -> bool
7704  """
7705  return _IMP_atom.SecondaryStructureResidue_get_is_setup(*args)
7706 
7707 def SecondaryStructureResidue_get_prob_helix_key():
7708  """SecondaryStructureResidue_get_prob_helix_key() -> FloatKey"""
7709  return _IMP_atom.SecondaryStructureResidue_get_prob_helix_key()
7710 
7711 def SecondaryStructureResidue_get_prob_strand_key():
7712  """SecondaryStructureResidue_get_prob_strand_key() -> FloatKey"""
7713  return _IMP_atom.SecondaryStructureResidue_get_prob_strand_key()
7714 
7715 def SecondaryStructureResidue_get_prob_coil_key():
7716  """SecondaryStructureResidue_get_prob_coil_key() -> FloatKey"""
7717  return _IMP_atom.SecondaryStructureResidue_get_prob_coil_key()
7718 
7719 
7720 def setup_coarse_secondary_structure_residue(ssr_ps, mdl, winner_takes_all_per_res=False):
7721  """
7722  setup_coarse_secondary_structure_residue(IMP::Particles const & ssr_ps, Model mdl, bool winner_takes_all_per_res=False) -> SecondaryStructureResidue
7723  setup_coarse_secondary_structure_residue(IMP::Particles const & ssr_ps, Model mdl) -> SecondaryStructureResidue
7724  """
7725  return _IMP_atom.setup_coarse_secondary_structure_residue(ssr_ps, mdl, winner_takes_all_per_res)
7726 
7727 def setup_coarse_secondary_structure_residues(ssr_ps, mdl, coarse_factor, start_res_num, winner_takes_all_per_res=False):
7728  """
7729  setup_coarse_secondary_structure_residues(IMP::Particles const & ssr_ps, Model mdl, int coarse_factor, int start_res_num, bool winner_takes_all_per_res=False) -> IMP::atom::SecondaryStructureResidues
7730  setup_coarse_secondary_structure_residues(IMP::Particles const & ssr_ps, Model mdl, int coarse_factor, int start_res_num) -> IMP::atom::SecondaryStructureResidues
7731  """
7732  return _IMP_atom.setup_coarse_secondary_structure_residues(ssr_ps, mdl, coarse_factor, start_res_num, winner_takes_all_per_res)
7733 
7734 def get_secondary_structure_match_score(ssr1, ssr2):
7735  """get_secondary_structure_match_score(SecondaryStructureResidue ssr1, SecondaryStructureResidue ssr2) -> IMP::Float"""
7736  return _IMP_atom.get_secondary_structure_match_score(ssr1, ssr2)
7737 
7738 def read_psipred(*args):
7739  """
7740  read_psipred(TextInput inf, Model mdl) -> IMP::atom::SecondaryStructureResidues
7741  read_psipred(TextInput inf, IMP::Particles ps) -> IMP::atom::SecondaryStructureResidues
7742  """
7743  return _IMP_atom.read_psipred(*args)
7744 class _ADopeBase(IMP.PairScore):
7745  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::Dope)> class"""
7746  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7747  __repr__ = _swig_repr
7748 
7749  def __init__(self, *args):
7750  """
7751  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::Dope)> self, Dope t0, std::string name) -> _ADopeBase
7752  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::Dope)> self, Dope t0) -> _ADopeBase
7753  """
7754  this = _IMP_atom.new__ADopeBase(*args)
7755  try:
7756  self.this.append(this)
7757  except:
7758  self.this = this
7759 
7760  def do_get_inputs(self, m, pis):
7761  """do_get_inputs(_ADopeBase self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7762  return _IMP_atom._ADopeBase_do_get_inputs(self, m, pis)
7763 
7764 
7765  def get_score_functor(self):
7766  """get_score_functor(_ADopeBase self) -> Dope"""
7767  return _IMP_atom._ADopeBase_get_score_functor(self)
7768 
7769 
7770  def get_version_info(self):
7771  """get_version_info(_ADopeBase self) -> VersionInfo"""
7772  return _IMP_atom._ADopeBase_get_version_info(self)
7773 
7774 _ADopeBase_swigregister = _IMP_atom._ADopeBase_swigregister
7775 _ADopeBase_swigregister(_ADopeBase)
7776 
7777 class _BDopeBase(IMP.PairScore):
7778  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::Statistical<(IMP::atom::DopeType,false,true,false)>)> class"""
7779  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7780  __repr__ = _swig_repr
7781 
7782  def __init__(self, *args):
7783  """
7784  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::Statistical<(IMP::atom::DopeType,false,true,false)>)> self, IMP::score_functor::DistancePairScore< IMP::score_functor::Statistical< IMP::atom::DopeType,false,true,false > >::DistanceScore const & t0, std::string name) -> _BDopeBase
7785  __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
7786  """
7787  this = _IMP_atom.new__BDopeBase(*args)
7788  try:
7789  self.this.append(this)
7790  except:
7791  self.this = this
7792 
7793  def do_get_inputs(self, m, pis):
7794  """do_get_inputs(_BDopeBase self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7795  return _IMP_atom._BDopeBase_do_get_inputs(self, m, pis)
7796 
7797 
7798  def get_score_functor(self):
7799  """get_score_functor(_BDopeBase self) -> _DopeBase"""
7800  return _IMP_atom._BDopeBase_get_score_functor(self)
7801 
7802 
7803  def get_version_info(self):
7804  """get_version_info(_BDopeBase self) -> VersionInfo"""
7805  return _IMP_atom._BDopeBase_get_version_info(self)
7806 
7807 _BDopeBase_swigregister = _IMP_atom._BDopeBase_swigregister
7808 _BDopeBase_swigregister(_BDopeBase)
7809 
7810 class _ALoopStatisticalBase(IMP.PairScore):
7811  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::LoopStatistical)> class"""
7812  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7813  __repr__ = _swig_repr
7814 
7815  def __init__(self, *args):
7816  """
7817  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::LoopStatistical)> self, LoopStatistical t0, std::string name) -> _ALoopStatisticalBase
7818  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::LoopStatistical)> self, LoopStatistical t0) -> _ALoopStatisticalBase
7819  """
7820  this = _IMP_atom.new__ALoopStatisticalBase(*args)
7821  try:
7822  self.this.append(this)
7823  except:
7824  self.this = this
7825 
7826  def do_get_inputs(self, m, pis):
7827  """do_get_inputs(_ALoopStatisticalBase self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7828  return _IMP_atom._ALoopStatisticalBase_do_get_inputs(self, m, pis)
7829 
7830 
7831  def get_score_functor(self):
7832  """get_score_functor(_ALoopStatisticalBase self) -> LoopStatistical"""
7833  return _IMP_atom._ALoopStatisticalBase_get_score_functor(self)
7834 
7835 
7836  def get_version_info(self):
7837  """get_version_info(_ALoopStatisticalBase self) -> VersionInfo"""
7838  return _IMP_atom._ALoopStatisticalBase_get_version_info(self)
7839 
7840 _ALoopStatisticalBase_swigregister = _IMP_atom._ALoopStatisticalBase_swigregister
7841 _ALoopStatisticalBase_swigregister(_ALoopStatisticalBase)
7842 
7843 class _BLoopStatisticalBase(IMP.PairScore):
7844  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::Statistical<(IMP::atom::LoopStatisticalType,false,true,false)>)> class"""
7845  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7846  __repr__ = _swig_repr
7847 
7848  def __init__(self, *args):
7849  """
7850  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::Statistical<(IMP::atom::LoopStatisticalType,false,true,false)>)> self, IMP::score_functor::DistancePairScore< IMP::score_functor::Statistical< IMP::atom::LoopStatisticalType,false,true,false > >::DistanceScore const & t0, std::string name) -> _BLoopStatisticalBase
7851  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::Statistical<(IMP::atom::LoopStatisticalType,false,true,false)>)> self, IMP::score_functor::DistancePairScore< IMP::score_functor::Statistical< IMP::atom::LoopStatisticalType,false,true,false > >::DistanceScore const & t0) -> _BLoopStatisticalBase
7852  """
7853  this = _IMP_atom.new__BLoopStatisticalBase(*args)
7854  try:
7855  self.this.append(this)
7856  except:
7857  self.this = this
7858 
7859  def do_get_inputs(self, m, pis):
7860  """do_get_inputs(_BLoopStatisticalBase self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7861  return _IMP_atom._BLoopStatisticalBase_do_get_inputs(self, m, pis)
7862 
7863 
7864  def get_score_functor(self):
7865  """get_score_functor(_BLoopStatisticalBase self) -> _LoopStatisticalBase"""
7866  return _IMP_atom._BLoopStatisticalBase_get_score_functor(self)
7867 
7868 
7869  def get_version_info(self):
7870  """get_version_info(_BLoopStatisticalBase self) -> VersionInfo"""
7871  return _IMP_atom._BLoopStatisticalBase_get_version_info(self)
7872 
7873 _BLoopStatisticalBase_swigregister = _IMP_atom._BLoopStatisticalBase_swigregister
7874 _BLoopStatisticalBase_swigregister(_BLoopStatisticalBase)
7875 
7876 class _OrientedSoapBase(IMP.PairScore):
7877  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::OrientedSoap)> class"""
7878  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7879  __repr__ = _swig_repr
7880 
7881  def __init__(self, *args):
7882  """
7883  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::OrientedSoap)> self, IMP::score_functor::DistancePairScore< IMP::score_functor::OrientedSoap >::DistanceScore const & t0, std::string name) -> _OrientedSoapBase
7884  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::OrientedSoap)> self, IMP::score_functor::DistancePairScore< IMP::score_functor::OrientedSoap >::DistanceScore const & t0) -> _OrientedSoapBase
7885  """
7886  this = _IMP_atom.new__OrientedSoapBase(*args)
7887  try:
7888  self.this.append(this)
7889  except:
7890  self.this = this
7891 
7892  def do_get_inputs(self, m, pis):
7893  """do_get_inputs(_OrientedSoapBase self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7894  return _IMP_atom._OrientedSoapBase_do_get_inputs(self, m, pis)
7895 
7896 
7897  def get_score_functor(self):
7898  """get_score_functor(_OrientedSoapBase self) -> IMP::score_functor::OrientedSoap &"""
7899  return _IMP_atom._OrientedSoapBase_get_score_functor(self)
7900 
7901 
7902  def get_version_info(self):
7903  """get_version_info(_OrientedSoapBase self) -> VersionInfo"""
7904  return _IMP_atom._OrientedSoapBase_get_version_info(self)
7905 
7906 _OrientedSoapBase_swigregister = _IMP_atom._OrientedSoapBase_swigregister
7907 _OrientedSoapBase_swigregister(_OrientedSoapBase)
7908 
7909 class _SPSFTB(IMP.PairScore):
7910  """Proxy of C++ IMP::score_functor::DistancePairScore<(IMP::score_functor::Statistical<(IMP::atom::ProteinLigandType,true,false)>)> class"""
7911  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7912  __repr__ = _swig_repr
7913 
7914  def __init__(self, *args):
7915  """
7916  __init__(IMP::score_functor::DistancePairScore<(IMP::score_functor::Statistical<(IMP::atom::ProteinLigandType,true,false)>)> self, IMP::score_functor::DistancePairScore< IMP::score_functor::Statistical< IMP::atom::ProteinLigandType,true,false > >::DistanceScore const & t0, std::string name) -> _SPSFTB
7917  __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
7918  """
7919  this = _IMP_atom.new__SPSFTB(*args)
7920  try:
7921  self.this.append(this)
7922  except:
7923  self.this = this
7924 
7925  def do_get_inputs(self, m, pis):
7926  """do_get_inputs(_SPSFTB self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
7927  return _IMP_atom._SPSFTB_do_get_inputs(self, m, pis)
7928 
7929 
7930  def get_score_functor(self):
7931  """get_score_functor(_SPSFTB self) -> IMP::score_functor::Statistical< IMP::atom::ProteinLigandType,true,false,false > &"""
7932  return _IMP_atom._SPSFTB_get_score_functor(self)
7933 
7934 
7935  def get_version_info(self):
7936  """get_version_info(_SPSFTB self) -> VersionInfo"""
7937  return _IMP_atom._SPSFTB_get_version_info(self)
7938 
7939 _SPSFTB_swigregister = _IMP_atom._SPSFTB_swigregister
7940 _SPSFTB_swigregister(_SPSFTB)
7941 
7942 class _SPSTF(_SPSFTB):
7943  """Proxy of C++ IMP::core::StatisticalPairScore<(IMP::atom::ProteinLigandType,true,false)> class"""
7944  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7945  __repr__ = _swig_repr
7946 
7947  def __init__(self, *args):
7948  """
7949  __init__(IMP::core::StatisticalPairScore<(IMP::atom::ProteinLigandType,true,false)> self, IntKey k, double threshold, TextInput data_file) -> _SPSTF
7950  __init__(IMP::core::StatisticalPairScore<(IMP::atom::ProteinLigandType,true,false)> self, IntKey k, double threshold, TextInput data_file, unsigned int shift) -> _SPSTF
7951  """
7952  this = _IMP_atom.new__SPSTF(*args)
7953  try:
7954  self.this.append(this)
7955  except:
7956  self.this = this
7957  __swig_destroy__ = _IMP_atom.delete__SPSTF
7958  __del__ = lambda self: None
7959 _SPSTF_swigregister = _IMP_atom._SPSTF_swigregister
7960 _SPSTF_swigregister(_SPSTF)
7961 
7962 class _SPSFT(_BDopeBase):
7963  """Proxy of C++ IMP::core::StatisticalPairScore<(IMP::atom::DopeType,false,true)> class"""
7964  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7965  __repr__ = _swig_repr
7966 
7967  def __init__(self, *args):
7968  """
7969  __init__(IMP::core::StatisticalPairScore<(IMP::atom::DopeType,false,true)> self, IntKey k, double threshold, TextInput data_file) -> _SPSFT
7970  __init__(IMP::core::StatisticalPairScore<(IMP::atom::DopeType,false,true)> self, IntKey k, double threshold, TextInput data_file, unsigned int shift) -> _SPSFT
7971  """
7972  this = _IMP_atom.new__SPSFT(*args)
7973  try:
7974  self.this.append(this)
7975  except:
7976  self.this = this
7977  __swig_destroy__ = _IMP_atom.delete__SPSFT
7978  __del__ = lambda self: None
7979 _SPSFT_swigregister = _IMP_atom._SPSFT_swigregister
7980 _SPSFT_swigregister(_SPSFT)
7981 
7982 class _SPSFTL(_BLoopStatisticalBase):
7983  """Proxy of C++ IMP::core::StatisticalPairScore<(IMP::atom::LoopStatisticalType,false,true)> class"""
7984  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
7985  __repr__ = _swig_repr
7986 
7987  def __init__(self, *args):
7988  """
7989  __init__(IMP::core::StatisticalPairScore<(IMP::atom::LoopStatisticalType,false,true)> self, IntKey k, double threshold, TextInput data_file) -> _SPSFTL
7990  __init__(IMP::core::StatisticalPairScore<(IMP::atom::LoopStatisticalType,false,true)> self, IntKey k, double threshold, TextInput data_file, unsigned int shift) -> _SPSFTL
7991  """
7992  this = _IMP_atom.new__SPSFTL(*args)
7993  try:
7994  self.this.append(this)
7995  except:
7996  self.this = this
7997  __swig_destroy__ = _IMP_atom.delete__SPSFTL
7998  __del__ = lambda self: None
7999 _SPSFTL_swigregister = _IMP_atom._SPSFTL_swigregister
8000 _SPSFTL_swigregister(_SPSFTL)
8001 
8002 class ProteinLigandAtomPairScore(_SPSTF):
8003  """Proxy of C++ IMP::atom::ProteinLigandAtomPairScore class"""
8004  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8005 
8006  def __init__(self, *args):
8007  """
8008  __init__(IMP::atom::ProteinLigandAtomPairScore self, double threshold) -> ProteinLigandAtomPairScore
8009  __init__(IMP::atom::ProteinLigandAtomPairScore self) -> ProteinLigandAtomPairScore
8010  __init__(IMP::atom::ProteinLigandAtomPairScore self, double threshold, TextInput data_file) -> ProteinLigandAtomPairScore
8011  """
8012  this = _IMP_atom.new_ProteinLigandAtomPairScore(*args)
8013  try:
8014  self.this.append(this)
8015  except:
8016  self.this = this
8017 
8018  def get_maximum_distance(self):
8019  """get_maximum_distance(ProteinLigandAtomPairScore self) -> double"""
8020  return _IMP_atom.ProteinLigandAtomPairScore_get_maximum_distance(self)
8021 
8022 
8023  def __str__(self):
8024  """__str__(ProteinLigandAtomPairScore self) -> std::string"""
8025  return _IMP_atom.ProteinLigandAtomPairScore___str__(self)
8026 
8027 
8028  def __repr__(self):
8029  """__repr__(ProteinLigandAtomPairScore self) -> std::string"""
8030  return _IMP_atom.ProteinLigandAtomPairScore___repr__(self)
8031 
8032 
8033  @staticmethod
8034  def get_from(o):
8035  return _object_cast_to_ProteinLigandAtomPairScore(o)
8036 
8037  __swig_destroy__ = _IMP_atom.delete_ProteinLigandAtomPairScore
8038  __del__ = lambda self: None
8039 ProteinLigandAtomPairScore_swigregister = _IMP_atom.ProteinLigandAtomPairScore_swigregister
8040 ProteinLigandAtomPairScore_swigregister(ProteinLigandAtomPairScore)
8041 
8042 class ProteinLigandRestraint(IMP.container.PairsRestraint):
8043  """Proxy of C++ IMP::atom::ProteinLigandRestraint class"""
8044  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8045 
8046  def __init__(self, *args):
8047  """
8048  __init__(IMP::atom::ProteinLigandRestraint self, Hierarchy protein, Hierarchy ligand, double threshold) -> ProteinLigandRestraint
8049  __init__(IMP::atom::ProteinLigandRestraint self, Hierarchy protein, Hierarchy ligand) -> ProteinLigandRestraint
8050  __init__(IMP::atom::ProteinLigandRestraint self, Hierarchy protein, Hierarchy ligand, double threshold, TextInput data_file) -> ProteinLigandRestraint
8051  """
8052  this = _IMP_atom.new_ProteinLigandRestraint(*args)
8053  try:
8054  self.this.append(this)
8055  except:
8056  self.this = this
8057 
8058  def __str__(self):
8059  """__str__(ProteinLigandRestraint self) -> std::string"""
8060  return _IMP_atom.ProteinLigandRestraint___str__(self)
8061 
8062 
8063  def __repr__(self):
8064  """__repr__(ProteinLigandRestraint self) -> std::string"""
8065  return _IMP_atom.ProteinLigandRestraint___repr__(self)
8066 
8067 
8068  @staticmethod
8069  def get_from(o):
8070  return _object_cast_to_ProteinLigandRestraint(o)
8071 
8072  __swig_destroy__ = _IMP_atom.delete_ProteinLigandRestraint
8073  __del__ = lambda self: None
8074 ProteinLigandRestraint_swigregister = _IMP_atom.ProteinLigandRestraint_swigregister
8075 ProteinLigandRestraint_swigregister(ProteinLigandRestraint)
8076 
8077 
8079  """add_protein_ligand_score_data(Hierarchy h)"""
8080  return _IMP_atom.add_protein_ligand_score_data(h)
8081 class AtomType(IMP._Value):
8082  """Proxy of C++ IMP::Key<(8974343)> class"""
8083  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8084 
8085  def __init__(self, *args):
8086  """
8087  __init__(IMP::Key<(8974343)> self) -> AtomType
8088  __init__(IMP::Key<(8974343)> self, std::string const & c, bool is_implicit_add_permitted=True) -> AtomType
8089  __init__(IMP::Key<(8974343)> self, std::string const & c) -> AtomType
8090  __init__(IMP::Key<(8974343)> self, unsigned int i) -> AtomType
8091  """
8092  this = _IMP_atom.new_AtomType(*args)
8093  try:
8094  self.this.append(this)
8095  except:
8096  self.this = this
8097 
8098  def add_key(sc):
8099  """add_key(std::string sc) -> unsigned int"""
8100  return _IMP_atom.AtomType_add_key(sc)
8101 
8102  add_key = staticmethod(add_key)
8103 
8104  def get_key_exists(sc):
8105  """get_key_exists(std::string sc) -> bool"""
8106  return _IMP_atom.AtomType_get_key_exists(sc)
8107 
8108  get_key_exists = staticmethod(get_key_exists)
8109 
8110  def get_string(self):
8111  """get_string(AtomType self) -> std::string const"""
8112  return _IMP_atom.AtomType_get_string(self)
8113 
8114 
8115  def __cmp__(self, o):
8116  """__cmp__(AtomType self, AtomType o) -> int"""
8117  return _IMP_atom.AtomType___cmp__(self, o)
8118 
8119 
8120  def __eq__(self, o):
8121  """__eq__(AtomType self, AtomType o) -> bool"""
8122  return _IMP_atom.AtomType___eq__(self, o)
8123 
8124 
8125  def __ne__(self, o):
8126  """__ne__(AtomType self, AtomType o) -> bool"""
8127  return _IMP_atom.AtomType___ne__(self, o)
8128 
8129 
8130  def __lt__(self, o):
8131  """__lt__(AtomType self, AtomType o) -> bool"""
8132  return _IMP_atom.AtomType___lt__(self, o)
8133 
8134 
8135  def __gt__(self, o):
8136  """__gt__(AtomType self, AtomType o) -> bool"""
8137  return _IMP_atom.AtomType___gt__(self, o)
8138 
8139 
8140  def __ge__(self, o):
8141  """__ge__(AtomType self, AtomType o) -> bool"""
8142  return _IMP_atom.AtomType___ge__(self, o)
8143 
8144 
8145  def __le__(self, o):
8146  """__le__(AtomType self, AtomType o) -> bool"""
8147  return _IMP_atom.AtomType___le__(self, o)
8148 
8149 
8150  def __hash__(self):
8151  """__hash__(AtomType self) -> std::size_t"""
8152  return _IMP_atom.AtomType___hash__(self)
8153 
8154 
8155  def show(self, *args):
8156  """
8157  show(AtomType self, _ostream out)
8158  show(AtomType self)
8159  """
8160  return _IMP_atom.AtomType_show(self, *args)
8161 
8162 
8163  def add_alias(old_key, new_name):
8164  """add_alias(AtomType old_key, std::string new_name) -> AtomType"""
8165  return _IMP_atom.AtomType_add_alias(old_key, new_name)
8166 
8167  add_alias = staticmethod(add_alias)
8168 
8169  def get_number_of_keys():
8170  """get_number_of_keys() -> unsigned int"""
8171  return _IMP_atom.AtomType_get_number_of_keys()
8172 
8173  get_number_of_keys = staticmethod(get_number_of_keys)
8174 
8175  def get_index(self):
8176  """get_index(AtomType self) -> unsigned int"""
8177  return _IMP_atom.AtomType_get_index(self)
8178 
8179 
8180  def show_all(out):
8181  """show_all(_ostream out)"""
8182  return _IMP_atom.AtomType_show_all(out)
8183 
8184  show_all = staticmethod(show_all)
8185 
8186  def get_all_strings():
8187  """get_all_strings() -> IMP::Vector< std::string >"""
8188  return _IMP_atom.AtomType_get_all_strings()
8189 
8190  get_all_strings = staticmethod(get_all_strings)
8191 
8192  def get_number_unique():
8193  """get_number_unique() -> unsigned int"""
8194  return _IMP_atom.AtomType_get_number_unique()
8195 
8196  get_number_unique = staticmethod(get_number_unique)
8197 
8198  def __str__(self):
8199  """__str__(AtomType self) -> std::string"""
8200  return _IMP_atom.AtomType___str__(self)
8201 
8202 
8203  def __repr__(self):
8204  """__repr__(AtomType self) -> std::string"""
8205  return _IMP_atom.AtomType___repr__(self)
8206 
8207  __swig_destroy__ = _IMP_atom.delete_AtomType
8208  __del__ = lambda self: None
8209 AtomType_swigregister = _IMP_atom.AtomType_swigregister
8210 AtomType_swigregister(AtomType)
8211 
8212 def AtomType_add_key(sc):
8213  """AtomType_add_key(std::string sc) -> unsigned int"""
8214  return _IMP_atom.AtomType_add_key(sc)
8215 
8216 def AtomType_get_key_exists(sc):
8217  """AtomType_get_key_exists(std::string sc) -> bool"""
8218  return _IMP_atom.AtomType_get_key_exists(sc)
8219 
8220 def AtomType_add_alias(old_key, new_name):
8221  """AtomType_add_alias(AtomType old_key, std::string new_name) -> AtomType"""
8222  return _IMP_atom.AtomType_add_alias(old_key, new_name)
8223 
8224 def AtomType_get_number_of_keys():
8225  """AtomType_get_number_of_keys() -> unsigned int"""
8226  return _IMP_atom.AtomType_get_number_of_keys()
8227 
8228 def AtomType_show_all(out):
8229  """AtomType_show_all(_ostream out)"""
8230  return _IMP_atom.AtomType_show_all(out)
8231 
8232 def AtomType_get_all_strings():
8233  """AtomType_get_all_strings() -> IMP::Vector< std::string >"""
8234  return _IMP_atom.AtomType_get_all_strings()
8235 
8236 def AtomType_get_number_unique():
8237  """AtomType_get_number_unique() -> unsigned int"""
8238  return _IMP_atom.AtomType_get_number_unique()
8239 
8240 class ResidueType(IMP._Value):
8241  """Proxy of C++ IMP::Key<(90784334)> class"""
8242  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8243 
8244  def __init__(self, *args):
8245  """
8246  __init__(IMP::Key<(90784334)> self) -> ResidueType
8247  __init__(IMP::Key<(90784334)> self, std::string const & c, bool is_implicit_add_permitted=True) -> ResidueType
8248  __init__(IMP::Key<(90784334)> self, std::string const & c) -> ResidueType
8249  __init__(IMP::Key<(90784334)> self, unsigned int i) -> ResidueType
8250  """
8251  this = _IMP_atom.new_ResidueType(*args)
8252  try:
8253  self.this.append(this)
8254  except:
8255  self.this = this
8256 
8257  def add_key(sc):
8258  """add_key(std::string sc) -> unsigned int"""
8259  return _IMP_atom.ResidueType_add_key(sc)
8260 
8261  add_key = staticmethod(add_key)
8262 
8263  def get_key_exists(sc):
8264  """get_key_exists(std::string sc) -> bool"""
8265  return _IMP_atom.ResidueType_get_key_exists(sc)
8266 
8267  get_key_exists = staticmethod(get_key_exists)
8268 
8269  def get_string(self):
8270  """get_string(ResidueType self) -> std::string const"""
8271  return _IMP_atom.ResidueType_get_string(self)
8272 
8273 
8274  def __cmp__(self, o):
8275  """__cmp__(ResidueType self, ResidueType o) -> int"""
8276  return _IMP_atom.ResidueType___cmp__(self, o)
8277 
8278 
8279  def __eq__(self, o):
8280  """__eq__(ResidueType self, ResidueType o) -> bool"""
8281  return _IMP_atom.ResidueType___eq__(self, o)
8282 
8283 
8284  def __ne__(self, o):
8285  """__ne__(ResidueType self, ResidueType o) -> bool"""
8286  return _IMP_atom.ResidueType___ne__(self, o)
8287 
8288 
8289  def __lt__(self, o):
8290  """__lt__(ResidueType self, ResidueType o) -> bool"""
8291  return _IMP_atom.ResidueType___lt__(self, o)
8292 
8293 
8294  def __gt__(self, o):
8295  """__gt__(ResidueType self, ResidueType o) -> bool"""
8296  return _IMP_atom.ResidueType___gt__(self, o)
8297 
8298 
8299  def __ge__(self, o):
8300  """__ge__(ResidueType self, ResidueType o) -> bool"""
8301  return _IMP_atom.ResidueType___ge__(self, o)
8302 
8303 
8304  def __le__(self, o):
8305  """__le__(ResidueType self, ResidueType o) -> bool"""
8306  return _IMP_atom.ResidueType___le__(self, o)
8307 
8308 
8309  def __hash__(self):
8310  """__hash__(ResidueType self) -> std::size_t"""
8311  return _IMP_atom.ResidueType___hash__(self)
8312 
8313 
8314  def show(self, *args):
8315  """
8316  show(ResidueType self, _ostream out)
8317  show(ResidueType self)
8318  """
8319  return _IMP_atom.ResidueType_show(self, *args)
8320 
8321 
8322  def add_alias(old_key, new_name):
8323  """add_alias(ResidueType old_key, std::string new_name) -> ResidueType"""
8324  return _IMP_atom.ResidueType_add_alias(old_key, new_name)
8325 
8326  add_alias = staticmethod(add_alias)
8327 
8328  def get_number_of_keys():
8329  """get_number_of_keys() -> unsigned int"""
8330  return _IMP_atom.ResidueType_get_number_of_keys()
8331 
8332  get_number_of_keys = staticmethod(get_number_of_keys)
8333 
8334  def get_index(self):
8335  """get_index(ResidueType self) -> unsigned int"""
8336  return _IMP_atom.ResidueType_get_index(self)
8337 
8338 
8339  def show_all(out):
8340  """show_all(_ostream out)"""
8341  return _IMP_atom.ResidueType_show_all(out)
8342 
8343  show_all = staticmethod(show_all)
8344 
8345  def get_all_strings():
8346  """get_all_strings() -> IMP::Vector< std::string >"""
8347  return _IMP_atom.ResidueType_get_all_strings()
8348 
8349  get_all_strings = staticmethod(get_all_strings)
8350 
8351  def get_number_unique():
8352  """get_number_unique() -> unsigned int"""
8353  return _IMP_atom.ResidueType_get_number_unique()
8354 
8355  get_number_unique = staticmethod(get_number_unique)
8356 
8357  def __str__(self):
8358  """__str__(ResidueType self) -> std::string"""
8359  return _IMP_atom.ResidueType___str__(self)
8360 
8361 
8362  def __repr__(self):
8363  """__repr__(ResidueType self) -> std::string"""
8364  return _IMP_atom.ResidueType___repr__(self)
8365 
8366  __swig_destroy__ = _IMP_atom.delete_ResidueType
8367  __del__ = lambda self: None
8368 ResidueType_swigregister = _IMP_atom.ResidueType_swigregister
8369 ResidueType_swigregister(ResidueType)
8370 
8371 def ResidueType_add_key(sc):
8372  """ResidueType_add_key(std::string sc) -> unsigned int"""
8373  return _IMP_atom.ResidueType_add_key(sc)
8374 
8375 def ResidueType_get_key_exists(sc):
8376  """ResidueType_get_key_exists(std::string sc) -> bool"""
8377  return _IMP_atom.ResidueType_get_key_exists(sc)
8378 
8379 def ResidueType_add_alias(old_key, new_name):
8380  """ResidueType_add_alias(ResidueType old_key, std::string new_name) -> ResidueType"""
8381  return _IMP_atom.ResidueType_add_alias(old_key, new_name)
8382 
8383 def ResidueType_get_number_of_keys():
8384  """ResidueType_get_number_of_keys() -> unsigned int"""
8385  return _IMP_atom.ResidueType_get_number_of_keys()
8386 
8387 def ResidueType_show_all(out):
8388  """ResidueType_show_all(_ostream out)"""
8389  return _IMP_atom.ResidueType_show_all(out)
8390 
8391 def ResidueType_get_all_strings():
8392  """ResidueType_get_all_strings() -> IMP::Vector< std::string >"""
8393  return _IMP_atom.ResidueType_get_all_strings()
8394 
8395 def ResidueType_get_number_unique():
8396  """ResidueType_get_number_unique() -> unsigned int"""
8397  return _IMP_atom.ResidueType_get_number_unique()
8398 
8399 class ChainType(IMP._Value):
8400  """Proxy of C++ IMP::Key<(90784336)> class"""
8401  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8402 
8403  def __init__(self, *args):
8404  """
8405  __init__(IMP::Key<(90784336)> self) -> ChainType
8406  __init__(IMP::Key<(90784336)> self, std::string const & c, bool is_implicit_add_permitted=True) -> ChainType
8407  __init__(IMP::Key<(90784336)> self, std::string const & c) -> ChainType
8408  __init__(IMP::Key<(90784336)> self, unsigned int i) -> ChainType
8409  """
8410  this = _IMP_atom.new_ChainType(*args)
8411  try:
8412  self.this.append(this)
8413  except:
8414  self.this = this
8415 
8416  def add_key(sc):
8417  """add_key(std::string sc) -> unsigned int"""
8418  return _IMP_atom.ChainType_add_key(sc)
8419 
8420  add_key = staticmethod(add_key)
8421 
8422  def get_key_exists(sc):
8423  """get_key_exists(std::string sc) -> bool"""
8424  return _IMP_atom.ChainType_get_key_exists(sc)
8425 
8426  get_key_exists = staticmethod(get_key_exists)
8427 
8428  def get_string(self):
8429  """get_string(ChainType self) -> std::string const"""
8430  return _IMP_atom.ChainType_get_string(self)
8431 
8432 
8433  def __cmp__(self, o):
8434  """__cmp__(ChainType self, ChainType o) -> int"""
8435  return _IMP_atom.ChainType___cmp__(self, o)
8436 
8437 
8438  def __eq__(self, o):
8439  """__eq__(ChainType self, ChainType o) -> bool"""
8440  return _IMP_atom.ChainType___eq__(self, o)
8441 
8442 
8443  def __ne__(self, o):
8444  """__ne__(ChainType self, ChainType o) -> bool"""
8445  return _IMP_atom.ChainType___ne__(self, o)
8446 
8447 
8448  def __lt__(self, o):
8449  """__lt__(ChainType self, ChainType o) -> bool"""
8450  return _IMP_atom.ChainType___lt__(self, o)
8451 
8452 
8453  def __gt__(self, o):
8454  """__gt__(ChainType self, ChainType o) -> bool"""
8455  return _IMP_atom.ChainType___gt__(self, o)
8456 
8457 
8458  def __ge__(self, o):
8459  """__ge__(ChainType self, ChainType o) -> bool"""
8460  return _IMP_atom.ChainType___ge__(self, o)
8461 
8462 
8463  def __le__(self, o):
8464  """__le__(ChainType self, ChainType o) -> bool"""
8465  return _IMP_atom.ChainType___le__(self, o)
8466 
8467 
8468  def __hash__(self):
8469  """__hash__(ChainType self) -> std::size_t"""
8470  return _IMP_atom.ChainType___hash__(self)
8471 
8472 
8473  def show(self, *args):
8474  """
8475  show(ChainType self, _ostream out)
8476  show(ChainType self)
8477  """
8478  return _IMP_atom.ChainType_show(self, *args)
8479 
8480 
8481  def add_alias(old_key, new_name):
8482  """add_alias(ChainType old_key, std::string new_name) -> ChainType"""
8483  return _IMP_atom.ChainType_add_alias(old_key, new_name)
8484 
8485  add_alias = staticmethod(add_alias)
8486 
8487  def get_number_of_keys():
8488  """get_number_of_keys() -> unsigned int"""
8489  return _IMP_atom.ChainType_get_number_of_keys()
8490 
8491  get_number_of_keys = staticmethod(get_number_of_keys)
8492 
8493  def get_index(self):
8494  """get_index(ChainType self) -> unsigned int"""
8495  return _IMP_atom.ChainType_get_index(self)
8496 
8497 
8498  def show_all(out):
8499  """show_all(_ostream out)"""
8500  return _IMP_atom.ChainType_show_all(out)
8501 
8502  show_all = staticmethod(show_all)
8503 
8504  def get_all_strings():
8505  """get_all_strings() -> IMP::Vector< std::string >"""
8506  return _IMP_atom.ChainType_get_all_strings()
8507 
8508  get_all_strings = staticmethod(get_all_strings)
8509 
8510  def get_number_unique():
8511  """get_number_unique() -> unsigned int"""
8512  return _IMP_atom.ChainType_get_number_unique()
8513 
8514  get_number_unique = staticmethod(get_number_unique)
8515 
8516  def __str__(self):
8517  """__str__(ChainType self) -> std::string"""
8518  return _IMP_atom.ChainType___str__(self)
8519 
8520 
8521  def __repr__(self):
8522  """__repr__(ChainType self) -> std::string"""
8523  return _IMP_atom.ChainType___repr__(self)
8524 
8525  __swig_destroy__ = _IMP_atom.delete_ChainType
8526  __del__ = lambda self: None
8527 ChainType_swigregister = _IMP_atom.ChainType_swigregister
8528 ChainType_swigregister(ChainType)
8529 
8530 def ChainType_add_key(sc):
8531  """ChainType_add_key(std::string sc) -> unsigned int"""
8532  return _IMP_atom.ChainType_add_key(sc)
8533 
8534 def ChainType_get_key_exists(sc):
8535  """ChainType_get_key_exists(std::string sc) -> bool"""
8536  return _IMP_atom.ChainType_get_key_exists(sc)
8537 
8538 def ChainType_add_alias(old_key, new_name):
8539  """ChainType_add_alias(ChainType old_key, std::string new_name) -> ChainType"""
8540  return _IMP_atom.ChainType_add_alias(old_key, new_name)
8541 
8542 def ChainType_get_number_of_keys():
8543  """ChainType_get_number_of_keys() -> unsigned int"""
8544  return _IMP_atom.ChainType_get_number_of_keys()
8545 
8546 def ChainType_show_all(out):
8547  """ChainType_show_all(_ostream out)"""
8548  return _IMP_atom.ChainType_show_all(out)
8549 
8550 def ChainType_get_all_strings():
8551  """ChainType_get_all_strings() -> IMP::Vector< std::string >"""
8552  return _IMP_atom.ChainType_get_all_strings()
8553 
8554 def ChainType_get_number_unique():
8555  """ChainType_get_number_unique() -> unsigned int"""
8556  return _IMP_atom.ChainType_get_number_unique()
8557 
8558 
8559 _IMP_atom.UNKNOWN_ELEMENT_swigconstant(_IMP_atom)
8560 UNKNOWN_ELEMENT = _IMP_atom.UNKNOWN_ELEMENT
8561 
8562 _IMP_atom.OH_swigconstant(_IMP_atom)
8563 OH = _IMP_atom.OH
8564 
8565 _IMP_atom.H2O_swigconstant(_IMP_atom)
8566 H2O = _IMP_atom.H2O
8567 
8568 _IMP_atom.H_swigconstant(_IMP_atom)
8569 H = _IMP_atom.H
8570 
8571 _IMP_atom.He_swigconstant(_IMP_atom)
8572 He = _IMP_atom.He
8573 
8574 _IMP_atom.Li_swigconstant(_IMP_atom)
8575 Li = _IMP_atom.Li
8576 
8577 _IMP_atom.Be_swigconstant(_IMP_atom)
8578 Be = _IMP_atom.Be
8579 
8580 _IMP_atom.B_swigconstant(_IMP_atom)
8581 B = _IMP_atom.B
8582 
8583 _IMP_atom.C_swigconstant(_IMP_atom)
8584 C = _IMP_atom.C
8585 
8586 _IMP_atom.N_swigconstant(_IMP_atom)
8587 N = _IMP_atom.N
8588 
8589 _IMP_atom.O_swigconstant(_IMP_atom)
8590 O = _IMP_atom.O
8591 
8592 _IMP_atom.F_swigconstant(_IMP_atom)
8593 F = _IMP_atom.F
8594 
8595 _IMP_atom.Ne_swigconstant(_IMP_atom)
8596 Ne = _IMP_atom.Ne
8597 
8598 _IMP_atom.Na_swigconstant(_IMP_atom)
8599 Na = _IMP_atom.Na
8600 
8601 _IMP_atom.Mg_swigconstant(_IMP_atom)
8602 Mg = _IMP_atom.Mg
8603 
8604 _IMP_atom.Al_swigconstant(_IMP_atom)
8605 Al = _IMP_atom.Al
8606 
8607 _IMP_atom.Si_swigconstant(_IMP_atom)
8608 Si = _IMP_atom.Si
8609 
8610 _IMP_atom.P_swigconstant(_IMP_atom)
8611 P = _IMP_atom.P
8612 
8613 _IMP_atom.S_swigconstant(_IMP_atom)
8614 S = _IMP_atom.S
8615 
8616 _IMP_atom.Cl_swigconstant(_IMP_atom)
8617 Cl = _IMP_atom.Cl
8618 
8619 _IMP_atom.Ar_swigconstant(_IMP_atom)
8620 Ar = _IMP_atom.Ar
8621 
8622 _IMP_atom.K_swigconstant(_IMP_atom)
8623 K = _IMP_atom.K
8624 
8625 _IMP_atom.Ca_swigconstant(_IMP_atom)
8626 Ca = _IMP_atom.Ca
8627 
8628 _IMP_atom.Sc_swigconstant(_IMP_atom)
8629 Sc = _IMP_atom.Sc
8630 
8631 _IMP_atom.Ti_swigconstant(_IMP_atom)
8632 Ti = _IMP_atom.Ti
8633 
8634 _IMP_atom.V_swigconstant(_IMP_atom)
8635 V = _IMP_atom.V
8636 
8637 _IMP_atom.Cr_swigconstant(_IMP_atom)
8638 Cr = _IMP_atom.Cr
8639 
8640 _IMP_atom.Mn_swigconstant(_IMP_atom)
8641 Mn = _IMP_atom.Mn
8642 
8643 _IMP_atom.Fe_swigconstant(_IMP_atom)
8644 Fe = _IMP_atom.Fe
8645 
8646 _IMP_atom.Co_swigconstant(_IMP_atom)
8647 Co = _IMP_atom.Co
8648 
8649 _IMP_atom.Ni_swigconstant(_IMP_atom)
8650 Ni = _IMP_atom.Ni
8651 
8652 _IMP_atom.Cu_swigconstant(_IMP_atom)
8653 Cu = _IMP_atom.Cu
8654 
8655 _IMP_atom.Zn_swigconstant(_IMP_atom)
8656 Zn = _IMP_atom.Zn
8657 
8658 _IMP_atom.Ga_swigconstant(_IMP_atom)
8659 Ga = _IMP_atom.Ga
8660 
8661 _IMP_atom.Ge_swigconstant(_IMP_atom)
8662 Ge = _IMP_atom.Ge
8663 
8664 _IMP_atom.As_swigconstant(_IMP_atom)
8665 As = _IMP_atom.As
8666 
8667 _IMP_atom.Se_swigconstant(_IMP_atom)
8668 Se = _IMP_atom.Se
8669 
8670 _IMP_atom.Br_swigconstant(_IMP_atom)
8671 Br = _IMP_atom.Br
8672 
8673 _IMP_atom.Kr_swigconstant(_IMP_atom)
8674 Kr = _IMP_atom.Kr
8675 
8676 _IMP_atom.Rb_swigconstant(_IMP_atom)
8677 Rb = _IMP_atom.Rb
8678 
8679 _IMP_atom.Sr_swigconstant(_IMP_atom)
8680 Sr = _IMP_atom.Sr
8681 
8682 _IMP_atom.Y_swigconstant(_IMP_atom)
8683 Y = _IMP_atom.Y
8684 
8685 _IMP_atom.Zr_swigconstant(_IMP_atom)
8686 Zr = _IMP_atom.Zr
8687 
8688 _IMP_atom.Nb_swigconstant(_IMP_atom)
8689 Nb = _IMP_atom.Nb
8690 
8691 _IMP_atom.Mo_swigconstant(_IMP_atom)
8692 Mo = _IMP_atom.Mo
8693 
8694 _IMP_atom.Tc_swigconstant(_IMP_atom)
8695 Tc = _IMP_atom.Tc
8696 
8697 _IMP_atom.Ru_swigconstant(_IMP_atom)
8698 Ru = _IMP_atom.Ru
8699 
8700 _IMP_atom.Rh_swigconstant(_IMP_atom)
8701 Rh = _IMP_atom.Rh
8702 
8703 _IMP_atom.Pd_swigconstant(_IMP_atom)
8704 Pd = _IMP_atom.Pd
8705 
8706 _IMP_atom.Ag_swigconstant(_IMP_atom)
8707 Ag = _IMP_atom.Ag
8708 
8709 _IMP_atom.Cd_swigconstant(_IMP_atom)
8710 Cd = _IMP_atom.Cd
8711 
8712 _IMP_atom.In_swigconstant(_IMP_atom)
8713 In = _IMP_atom.In
8714 
8715 _IMP_atom.Sn_swigconstant(_IMP_atom)
8716 Sn = _IMP_atom.Sn
8717 
8718 _IMP_atom.Sb_swigconstant(_IMP_atom)
8719 Sb = _IMP_atom.Sb
8720 
8721 _IMP_atom.Te_swigconstant(_IMP_atom)
8722 Te = _IMP_atom.Te
8723 
8724 _IMP_atom.I_swigconstant(_IMP_atom)
8725 I = _IMP_atom.I
8726 
8727 _IMP_atom.Xe_swigconstant(_IMP_atom)
8728 Xe = _IMP_atom.Xe
8729 
8730 _IMP_atom.Cs_swigconstant(_IMP_atom)
8731 Cs = _IMP_atom.Cs
8732 
8733 _IMP_atom.Ba_swigconstant(_IMP_atom)
8734 Ba = _IMP_atom.Ba
8735 
8736 _IMP_atom.La_swigconstant(_IMP_atom)
8737 La = _IMP_atom.La
8738 
8739 _IMP_atom.Ce_swigconstant(_IMP_atom)
8740 Ce = _IMP_atom.Ce
8741 
8742 _IMP_atom.Pr_swigconstant(_IMP_atom)
8743 Pr = _IMP_atom.Pr
8744 
8745 _IMP_atom.Nd_swigconstant(_IMP_atom)
8746 Nd = _IMP_atom.Nd
8747 
8748 _IMP_atom.Pm_swigconstant(_IMP_atom)
8749 Pm = _IMP_atom.Pm
8750 
8751 _IMP_atom.Sm_swigconstant(_IMP_atom)
8752 Sm = _IMP_atom.Sm
8753 
8754 _IMP_atom.Eu_swigconstant(_IMP_atom)
8755 Eu = _IMP_atom.Eu
8756 
8757 _IMP_atom.Gd_swigconstant(_IMP_atom)
8758 Gd = _IMP_atom.Gd
8759 
8760 _IMP_atom.Tb_swigconstant(_IMP_atom)
8761 Tb = _IMP_atom.Tb
8762 
8763 _IMP_atom.Dy_swigconstant(_IMP_atom)
8764 Dy = _IMP_atom.Dy
8765 
8766 _IMP_atom.Ho_swigconstant(_IMP_atom)
8767 Ho = _IMP_atom.Ho
8768 
8769 _IMP_atom.Er_swigconstant(_IMP_atom)
8770 Er = _IMP_atom.Er
8771 
8772 _IMP_atom.Tm_swigconstant(_IMP_atom)
8773 Tm = _IMP_atom.Tm
8774 
8775 _IMP_atom.Yb_swigconstant(_IMP_atom)
8776 Yb = _IMP_atom.Yb
8777 
8778 _IMP_atom.Lu_swigconstant(_IMP_atom)
8779 Lu = _IMP_atom.Lu
8780 
8781 _IMP_atom.Hf_swigconstant(_IMP_atom)
8782 Hf = _IMP_atom.Hf
8783 
8784 _IMP_atom.Ta_swigconstant(_IMP_atom)
8785 Ta = _IMP_atom.Ta
8786 
8787 _IMP_atom.W_swigconstant(_IMP_atom)
8788 W = _IMP_atom.W
8789 
8790 _IMP_atom.Re_swigconstant(_IMP_atom)
8791 Re = _IMP_atom.Re
8792 
8793 _IMP_atom.Os_swigconstant(_IMP_atom)
8794 Os = _IMP_atom.Os
8795 
8796 _IMP_atom.Ir_swigconstant(_IMP_atom)
8797 Ir = _IMP_atom.Ir
8798 
8799 _IMP_atom.Pt_swigconstant(_IMP_atom)
8800 Pt = _IMP_atom.Pt
8801 
8802 _IMP_atom.Au_swigconstant(_IMP_atom)
8803 Au = _IMP_atom.Au
8804 
8805 _IMP_atom.Hg_swigconstant(_IMP_atom)
8806 Hg = _IMP_atom.Hg
8807 
8808 _IMP_atom.Tl_swigconstant(_IMP_atom)
8809 Tl = _IMP_atom.Tl
8810 
8811 _IMP_atom.Pb_swigconstant(_IMP_atom)
8812 Pb = _IMP_atom.Pb
8813 
8814 _IMP_atom.Bi_swigconstant(_IMP_atom)
8815 Bi = _IMP_atom.Bi
8816 
8817 _IMP_atom.Po_swigconstant(_IMP_atom)
8818 Po = _IMP_atom.Po
8819 
8820 _IMP_atom.At_swigconstant(_IMP_atom)
8821 At = _IMP_atom.At
8822 
8823 _IMP_atom.Rn_swigconstant(_IMP_atom)
8824 Rn = _IMP_atom.Rn
8825 
8826 _IMP_atom.Fr_swigconstant(_IMP_atom)
8827 Fr = _IMP_atom.Fr
8828 
8829 _IMP_atom.Ra_swigconstant(_IMP_atom)
8830 Ra = _IMP_atom.Ra
8831 
8832 _IMP_atom.Ac_swigconstant(_IMP_atom)
8833 Ac = _IMP_atom.Ac
8834 
8835 _IMP_atom.Th_swigconstant(_IMP_atom)
8836 Th = _IMP_atom.Th
8837 
8838 _IMP_atom.Pa_swigconstant(_IMP_atom)
8839 Pa = _IMP_atom.Pa
8840 
8841 _IMP_atom.U_swigconstant(_IMP_atom)
8842 U = _IMP_atom.U
8843 
8844 _IMP_atom.Np_swigconstant(_IMP_atom)
8845 Np = _IMP_atom.Np
8846 
8847 _IMP_atom.Pu_swigconstant(_IMP_atom)
8848 Pu = _IMP_atom.Pu
8849 
8850 _IMP_atom.Am_swigconstant(_IMP_atom)
8851 Am = _IMP_atom.Am
8852 
8853 _IMP_atom.Cm_swigconstant(_IMP_atom)
8854 Cm = _IMP_atom.Cm
8855 
8856 _IMP_atom.Bk_swigconstant(_IMP_atom)
8857 Bk = _IMP_atom.Bk
8858 
8859 _IMP_atom.Cf_swigconstant(_IMP_atom)
8860 Cf = _IMP_atom.Cf
8861 
8862 _IMP_atom.Es_swigconstant(_IMP_atom)
8863 Es = _IMP_atom.Es
8864 
8865 _IMP_atom.Fm_swigconstant(_IMP_atom)
8866 Fm = _IMP_atom.Fm
8867 
8868 _IMP_atom.Md_swigconstant(_IMP_atom)
8869 Md = _IMP_atom.Md
8870 
8871 _IMP_atom.No_swigconstant(_IMP_atom)
8872 No = _IMP_atom.No
8873 
8874 _IMP_atom.Lr_swigconstant(_IMP_atom)
8875 Lr = _IMP_atom.Lr
8876 
8877 _IMP_atom.Db_swigconstant(_IMP_atom)
8878 Db = _IMP_atom.Db
8879 
8880 _IMP_atom.Jl_swigconstant(_IMP_atom)
8881 Jl = _IMP_atom.Jl
8882 
8883 _IMP_atom.Rf_swigconstant(_IMP_atom)
8884 Rf = _IMP_atom.Rf
8885 
8886 _IMP_atom.NUMBER_OF_ELEMENTS_swigconstant(_IMP_atom)
8887 NUMBER_OF_ELEMENTS = _IMP_atom.NUMBER_OF_ELEMENTS
8888 
8889 def hash_value(e):
8890  """hash_value(IMP::atom::Element e) -> size_t"""
8891  return _IMP_atom.hash_value(e)
8892 class ElementTable(object):
8893  """Proxy of C++ IMP::atom::ElementTable class"""
8894  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8895  __repr__ = _swig_repr
8896 
8897  def __init__(self):
8898  """__init__(IMP::atom::ElementTable self) -> ElementTable"""
8899  this = _IMP_atom.new_ElementTable()
8900  try:
8901  self.this.append(this)
8902  except:
8903  self.this = this
8904 
8905  def get_element(self, s):
8906  """get_element(ElementTable self, std::string const & s) -> IMP::atom::Element"""
8907  return _IMP_atom.ElementTable_get_element(self, s)
8908 
8909 
8910  def get_name(self, e):
8911  """get_name(ElementTable self, IMP::atom::Element e) -> std::string"""
8912  return _IMP_atom.ElementTable_get_name(self, e)
8913 
8914 
8915  def get_mass(self, e):
8916  """get_mass(ElementTable self, IMP::atom::Element e) -> IMP::Float"""
8917  return _IMP_atom.ElementTable_get_mass(self, e)
8918 
8919  __swig_destroy__ = _IMP_atom.delete_ElementTable
8920  __del__ = lambda self: None
8921 ElementTable_swigregister = _IMP_atom.ElementTable_swigregister
8922 ElementTable_swigregister(ElementTable)
8923 
8924 
8925 def get_element_table():
8926  """get_element_table() -> ElementTable"""
8927  return _IMP_atom.get_element_table()
8928 class Atom(Hierarchy):
8929  """Proxy of C++ IMP::atom::Atom class"""
8930  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
8931 
8932  def __init__(self, *args):
8933  """
8934  __init__(IMP::atom::Atom self) -> Atom
8935  __init__(IMP::atom::Atom self, Model m, ParticleIndex id) -> Atom
8936  __init__(IMP::atom::Atom self, _ParticleAdaptor d) -> Atom
8937  """
8938  this = _IMP_atom.new_Atom(*args)
8939  try:
8940  self.this.append(this)
8941  except:
8942  self.this = this
8943 
8944  def show(self, *args):
8945  """
8946  show(Atom self, _ostream out)
8947  show(Atom self)
8948  """
8949  return _IMP_atom.Atom_show(self, *args)
8950 
8951 
8952  def setup_particle(*args):
8953  """
8954  setup_particle(Model m, ParticleIndex pi, Atom other) -> Atom
8955  setup_particle(_ParticleAdaptor decorator, Atom other) -> Atom
8956  setup_particle(Model m, ParticleIndex pi, AtomType atom_type) -> Atom
8957  setup_particle(_ParticleAdaptor decorator, AtomType atom_type) -> Atom
8958  """
8959  return _IMP_atom.Atom_setup_particle(*args)
8960 
8961  setup_particle = staticmethod(setup_particle)
8962 
8963  def get_is_setup(*args):
8964  """
8965  get_is_setup(_ParticleAdaptor p) -> bool
8966  get_is_setup(Model m, ParticleIndex pi) -> bool
8967  """
8968  return _IMP_atom.Atom_get_is_setup(*args)
8969 
8970  get_is_setup = staticmethod(get_is_setup)
8971 
8972  def get_atom_type(self):
8973  """get_atom_type(Atom self) -> AtomType"""
8974  return _IMP_atom.Atom_get_atom_type(self)
8975 
8976 
8977  def set_atom_type(self, t):
8978  """set_atom_type(Atom self, AtomType t)"""
8979  return _IMP_atom.Atom_set_atom_type(self, t)
8980 
8981 
8982  def get_element(self):
8983  """get_element(Atom self) -> IMP::atom::Element"""
8984  return _IMP_atom.Atom_get_element(self)
8985 
8986 
8987  def set_element(self, e):
8988  """set_element(Atom self, IMP::atom::Element e)"""
8989  return _IMP_atom.Atom_set_element(self, e)
8990 
8991 
8992  def get_occupancy(self):
8993  """get_occupancy(Atom self) -> double"""
8994  return _IMP_atom.Atom_get_occupancy(self)
8995 
8996 
8997  def set_occupancy(self, occupancy):
8998  """set_occupancy(Atom self, double occupancy)"""
8999  return _IMP_atom.Atom_set_occupancy(self, occupancy)
9000 
9001 
9002  def get_temperature_factor(self):
9003  """get_temperature_factor(Atom self) -> double"""
9004  return _IMP_atom.Atom_get_temperature_factor(self)
9005 
9006 
9007  def set_temperature_factor(self, tempFactor):
9008  """set_temperature_factor(Atom self, double tempFactor)"""
9009  return _IMP_atom.Atom_set_temperature_factor(self, tempFactor)
9010 
9011 
9012  def get_input_index(self):
9013  """get_input_index(Atom self) -> IMP::Int"""
9014  return _IMP_atom.Atom_get_input_index(self)
9015 
9016 
9017  def set_input_index(self, t):
9018  """set_input_index(Atom self, IMP::Int t)"""
9019  return _IMP_atom.Atom_set_input_index(self, t)
9020 
9021 
9022  def get_atom_type_key():
9023  """get_atom_type_key() -> IntKey"""
9024  return _IMP_atom.Atom_get_atom_type_key()
9025 
9026  get_atom_type_key = staticmethod(get_atom_type_key)
9027 
9028  def get_element_key():
9029  """get_element_key() -> IntKey"""
9030  return _IMP_atom.Atom_get_element_key()
9031 
9032  get_element_key = staticmethod(get_element_key)
9033 
9034  def get_input_index_key():
9035  """get_input_index_key() -> IntKey"""
9036  return _IMP_atom.Atom_get_input_index_key()
9037 
9038  get_input_index_key = staticmethod(get_input_index_key)
9039 
9040  def get_occupancy_key():
9041  """get_occupancy_key() -> FloatKey"""
9042  return _IMP_atom.Atom_get_occupancy_key()
9043 
9044  get_occupancy_key = staticmethod(get_occupancy_key)
9045 
9046  def get_temperature_factor_key():
9047  """get_temperature_factor_key() -> FloatKey"""
9048  return _IMP_atom.Atom_get_temperature_factor_key()
9049 
9050  get_temperature_factor_key = staticmethod(get_temperature_factor_key)
9051 
9052  def add_attribute(self, *args):
9053  """
9054  add_attribute(Atom self, FloatKey k, IMP::Float v, bool opt)
9055  add_attribute(Atom self, FloatKey a0, IMP::Float a1)
9056  add_attribute(Atom self, IntKey a0, IMP::Int a1)
9057  add_attribute(Atom self, FloatsKey a0, IMP::Floats a1)
9058  add_attribute(Atom self, IntsKey a0, IMP::Ints a1)
9059  add_attribute(Atom self, StringKey a0, IMP::String a1)
9060  add_attribute(Atom self, ParticleIndexKey a0, Particle a1)
9061  add_attribute(Atom self, ObjectKey a0, Object a1)
9062  """
9063  return _IMP_atom.Atom_add_attribute(self, *args)
9064 
9065 
9066  def get_value(self, *args):
9067  """
9068  get_value(Atom self, FloatKey a0) -> IMP::Float
9069  get_value(Atom self, IntKey a0) -> IMP::Int
9070  get_value(Atom self, FloatsKey a0) -> IMP::Floats
9071  get_value(Atom self, IntsKey a0) -> IMP::Ints
9072  get_value(Atom self, StringKey a0) -> IMP::String
9073  get_value(Atom self, ParticleIndexKey a0) -> Particle
9074  get_value(Atom self, ObjectKey a0) -> Object
9075  """
9076  return _IMP_atom.Atom_get_value(self, *args)
9077 
9078 
9079  def set_value(self, *args):
9080  """
9081  set_value(Atom self, FloatKey a0, IMP::Float a1)
9082  set_value(Atom self, IntKey a0, IMP::Int a1)
9083  set_value(Atom self, FloatsKey a0, IMP::Floats a1)
9084  set_value(Atom self, IntsKey a0, IMP::Ints a1)
9085  set_value(Atom self, StringKey a0, IMP::String a1)
9086  set_value(Atom self, ParticleIndexKey a0, Particle a1)
9087  set_value(Atom self, ObjectKey a0, Object a1)
9088  """
9089  return _IMP_atom.Atom_set_value(self, *args)
9090 
9091 
9092  def remove_attribute(self, *args):
9093  """
9094  remove_attribute(Atom self, FloatKey a0)
9095  remove_attribute(Atom self, IntKey a0)
9096  remove_attribute(Atom self, FloatsKey a0)
9097  remove_attribute(Atom self, IntsKey a0)
9098  remove_attribute(Atom self, StringKey a0)
9099  remove_attribute(Atom self, ParticleIndexKey a0)
9100  remove_attribute(Atom self, ObjectKey a0)
9101  """
9102  return _IMP_atom.Atom_remove_attribute(self, *args)
9103 
9104 
9105  def has_attribute(self, *args):
9106  """
9107  has_attribute(Atom self, FloatKey a0) -> bool
9108  has_attribute(Atom self, IntKey a0) -> bool
9109  has_attribute(Atom self, FloatsKey a0) -> bool
9110  has_attribute(Atom self, IntsKey a0) -> bool
9111  has_attribute(Atom self, StringKey a0) -> bool
9112  has_attribute(Atom self, ParticleIndexKey a0) -> bool
9113  has_attribute(Atom self, ObjectKey a0) -> bool
9114  """
9115  return _IMP_atom.Atom_has_attribute(self, *args)
9116 
9117 
9118  def get_derivative(self, a0):
9119  """get_derivative(Atom self, FloatKey a0) -> double"""
9120  return _IMP_atom.Atom_get_derivative(self, a0)
9121 
9122 
9123  def get_name(self):
9124  """get_name(Atom self) -> std::string"""
9125  return _IMP_atom.Atom_get_name(self)
9126 
9127 
9128  def clear_caches(self):
9129  """clear_caches(Atom self)"""
9130  return _IMP_atom.Atom_clear_caches(self)
9131 
9132 
9133  def set_name(self, a0):
9134  """set_name(Atom self, std::string a0)"""
9135  return _IMP_atom.Atom_set_name(self, a0)
9136 
9137 
9138  def set_check_level(self, a0):
9139  """set_check_level(Atom self, IMP::CheckLevel a0)"""
9140  return _IMP_atom.Atom_set_check_level(self, a0)
9141 
9142 
9143  def add_to_derivative(self, a0, a1, a2):
9144  """add_to_derivative(Atom self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9145  return _IMP_atom.Atom_add_to_derivative(self, a0, a1, a2)
9146 
9147 
9148  def set_is_optimized(self, a0, a1):
9149  """set_is_optimized(Atom self, FloatKey a0, bool a1)"""
9150  return _IMP_atom.Atom_set_is_optimized(self, a0, a1)
9151 
9152 
9153  def get_is_optimized(self, a0):
9154  """get_is_optimized(Atom self, FloatKey a0) -> bool"""
9155  return _IMP_atom.Atom_get_is_optimized(self, a0)
9156 
9157 
9158  def get_check_level(self):
9159  """get_check_level(Atom self) -> IMP::CheckLevel"""
9160  return _IMP_atom.Atom_get_check_level(self)
9161 
9162 
9163  def __eq__(self, *args):
9164  """
9165  __eq__(Atom self, Atom o) -> bool
9166  __eq__(Atom self, Particle d) -> bool
9167  """
9168  return _IMP_atom.Atom___eq__(self, *args)
9169 
9170 
9171  def __ne__(self, *args):
9172  """
9173  __ne__(Atom self, Atom o) -> bool
9174  __ne__(Atom self, Particle d) -> bool
9175  """
9176  return _IMP_atom.Atom___ne__(self, *args)
9177 
9178 
9179  def __le__(self, *args):
9180  """
9181  __le__(Atom self, Atom o) -> bool
9182  __le__(Atom self, Particle d) -> bool
9183  """
9184  return _IMP_atom.Atom___le__(self, *args)
9185 
9186 
9187  def __lt__(self, *args):
9188  """
9189  __lt__(Atom self, Atom o) -> bool
9190  __lt__(Atom self, Particle d) -> bool
9191  """
9192  return _IMP_atom.Atom___lt__(self, *args)
9193 
9194 
9195  def __ge__(self, *args):
9196  """
9197  __ge__(Atom self, Atom o) -> bool
9198  __ge__(Atom self, Particle d) -> bool
9199  """
9200  return _IMP_atom.Atom___ge__(self, *args)
9201 
9202 
9203  def __gt__(self, *args):
9204  """
9205  __gt__(Atom self, Atom o) -> bool
9206  __gt__(Atom self, Particle d) -> bool
9207  """
9208  return _IMP_atom.Atom___gt__(self, *args)
9209 
9210 
9211  def __hash__(self):
9212  """__hash__(Atom self) -> std::size_t"""
9213  return _IMP_atom.Atom___hash__(self)
9214 
9215 
9216  def __str__(self):
9217  """__str__(Atom self) -> std::string"""
9218  return _IMP_atom.Atom___str__(self)
9219 
9220 
9221  def __repr__(self):
9222  """__repr__(Atom self) -> std::string"""
9223  return _IMP_atom.Atom___repr__(self)
9224 
9225  __swig_destroy__ = _IMP_atom.delete_Atom
9226  __del__ = lambda self: None
9227 Atom_swigregister = _IMP_atom.Atom_swigregister
9228 Atom_swigregister(Atom)
9229 AT_UNKNOWN = cvar.AT_UNKNOWN
9230 AT_N = cvar.AT_N
9231 AT_CA = cvar.AT_CA
9232 AT_C = cvar.AT_C
9233 AT_O = cvar.AT_O
9234 AT_H = cvar.AT_H
9235 AT_H1 = cvar.AT_H1
9236 AT_H2 = cvar.AT_H2
9237 AT_H3 = cvar.AT_H3
9238 AT_HA = cvar.AT_HA
9239 AT_HA1 = cvar.AT_HA1
9240 AT_HA2 = cvar.AT_HA2
9241 AT_HA3 = cvar.AT_HA3
9242 AT_CB = cvar.AT_CB
9243 AT_HB = cvar.AT_HB
9244 AT_HB1 = cvar.AT_HB1
9245 AT_HB2 = cvar.AT_HB2
9246 AT_HB3 = cvar.AT_HB3
9247 AT_OXT = cvar.AT_OXT
9248 AT_CH3 = cvar.AT_CH3
9249 AT_CH = cvar.AT_CH
9250 AT_CG = cvar.AT_CG
9251 AT_CG1 = cvar.AT_CG1
9252 AT_CG2 = cvar.AT_CG2
9253 AT_HG = cvar.AT_HG
9254 AT_HG1 = cvar.AT_HG1
9255 AT_HG2 = cvar.AT_HG2
9256 AT_HG3 = cvar.AT_HG3
9257 AT_HG11 = cvar.AT_HG11
9258 AT_HG21 = cvar.AT_HG21
9259 AT_HG31 = cvar.AT_HG31
9260 AT_HG12 = cvar.AT_HG12
9261 AT_HG13 = cvar.AT_HG13
9262 AT_HG22 = cvar.AT_HG22
9263 AT_HG23 = cvar.AT_HG23
9264 AT_HG32 = cvar.AT_HG32
9265 AT_OG = cvar.AT_OG
9266 AT_OG1 = cvar.AT_OG1
9267 AT_SG = cvar.AT_SG
9268 AT_CD = cvar.AT_CD
9269 AT_CD1 = cvar.AT_CD1
9270 AT_CD2 = cvar.AT_CD2
9271 AT_HD = cvar.AT_HD
9272 AT_HD1 = cvar.AT_HD1
9273 AT_HD2 = cvar.AT_HD2
9274 AT_HD3 = cvar.AT_HD3
9275 AT_HD11 = cvar.AT_HD11
9276 AT_HD21 = cvar.AT_HD21
9277 AT_HD31 = cvar.AT_HD31
9278 AT_HD12 = cvar.AT_HD12
9279 AT_HD13 = cvar.AT_HD13
9280 AT_HD22 = cvar.AT_HD22
9281 AT_HD23 = cvar.AT_HD23
9282 AT_HD32 = cvar.AT_HD32
9283 AT_SD = cvar.AT_SD
9284 AT_OD1 = cvar.AT_OD1
9285 AT_OD2 = cvar.AT_OD2
9286 AT_ND1 = cvar.AT_ND1
9287 AT_ND2 = cvar.AT_ND2
9288 AT_CE = cvar.AT_CE
9289 AT_CE1 = cvar.AT_CE1
9290 AT_CE2 = cvar.AT_CE2
9291 AT_CE3 = cvar.AT_CE3
9292 AT_HE = cvar.AT_HE
9293 AT_HE1 = cvar.AT_HE1
9294 AT_HE2 = cvar.AT_HE2
9295 AT_HE3 = cvar.AT_HE3
9296 AT_HE21 = cvar.AT_HE21
9297 AT_HE22 = cvar.AT_HE22
9298 AT_OE1 = cvar.AT_OE1
9299 AT_OE2 = cvar.AT_OE2
9300 AT_NE = cvar.AT_NE
9301 AT_NE1 = cvar.AT_NE1
9302 AT_NE2 = cvar.AT_NE2
9303 AT_CZ = cvar.AT_CZ
9304 AT_CZ2 = cvar.AT_CZ2
9305 AT_CZ3 = cvar.AT_CZ3
9306 AT_NZ = cvar.AT_NZ
9307 AT_HZ = cvar.AT_HZ
9308 AT_HZ1 = cvar.AT_HZ1
9309 AT_HZ2 = cvar.AT_HZ2
9310 AT_HZ3 = cvar.AT_HZ3
9311 AT_CH2 = cvar.AT_CH2
9312 AT_NH1 = cvar.AT_NH1
9313 AT_NH2 = cvar.AT_NH2
9314 AT_OH = cvar.AT_OH
9315 AT_HH = cvar.AT_HH
9316 AT_HH11 = cvar.AT_HH11
9317 AT_HH21 = cvar.AT_HH21
9318 AT_HH2 = cvar.AT_HH2
9319 AT_HH12 = cvar.AT_HH12
9320 AT_HH22 = cvar.AT_HH22
9321 AT_HH13 = cvar.AT_HH13
9322 AT_HH23 = cvar.AT_HH23
9323 AT_HH33 = cvar.AT_HH33
9324 AT_P = cvar.AT_P
9325 AT_OP1 = cvar.AT_OP1
9326 AT_OP2 = cvar.AT_OP2
9327 AT_OP3 = cvar.AT_OP3
9328 AT_O5p = cvar.AT_O5p
9329 AT_C5p = cvar.AT_C5p
9330 AT_H5p = cvar.AT_H5p
9331 AT_H5pp = cvar.AT_H5pp
9332 AT_C4p = cvar.AT_C4p
9333 AT_H4p = cvar.AT_H4p
9334 AT_O4p = cvar.AT_O4p
9335 AT_C1p = cvar.AT_C1p
9336 AT_H1p = cvar.AT_H1p
9337 AT_C3p = cvar.AT_C3p
9338 AT_H3p = cvar.AT_H3p
9339 AT_O3p = cvar.AT_O3p
9340 AT_C2p = cvar.AT_C2p
9341 AT_H2p = cvar.AT_H2p
9342 AT_H2pp = cvar.AT_H2pp
9343 AT_O2p = cvar.AT_O2p
9344 AT_HO2p = cvar.AT_HO2p
9345 AT_N9 = cvar.AT_N9
9346 AT_C8 = cvar.AT_C8
9347 AT_H8 = cvar.AT_H8
9348 AT_N7 = cvar.AT_N7
9349 AT_C5 = cvar.AT_C5
9350 AT_C4 = cvar.AT_C4
9351 AT_N3 = cvar.AT_N3
9352 AT_C2 = cvar.AT_C2
9353 AT_N1 = cvar.AT_N1
9354 AT_C6 = cvar.AT_C6
9355 AT_N6 = cvar.AT_N6
9356 AT_H61 = cvar.AT_H61
9357 AT_H62 = cvar.AT_H62
9358 AT_O6 = cvar.AT_O6
9359 AT_N2 = cvar.AT_N2
9360 AT_NT = cvar.AT_NT
9361 AT_H21 = cvar.AT_H21
9362 AT_H22 = cvar.AT_H22
9363 AT_H6 = cvar.AT_H6
9364 AT_H5 = cvar.AT_H5
9365 AT_O2 = cvar.AT_O2
9366 AT_N4 = cvar.AT_N4
9367 AT_H41 = cvar.AT_H41
9368 AT_H42 = cvar.AT_H42
9369 AT_O4 = cvar.AT_O4
9370 AT_C7 = cvar.AT_C7
9371 AT_H71 = cvar.AT_H71
9372 AT_H72 = cvar.AT_H72
9373 AT_H73 = cvar.AT_H73
9374 AT_O1A = cvar.AT_O1A
9375 AT_O2A = cvar.AT_O2A
9376 AT_O3A = cvar.AT_O3A
9377 AT_O1B = cvar.AT_O1B
9378 AT_O2B = cvar.AT_O2B
9379 AT_O3B = cvar.AT_O3B
9380 
9381 def Atom_setup_particle(*args):
9382  """
9383  setup_particle(Model m, ParticleIndex pi, Atom other) -> Atom
9384  setup_particle(_ParticleAdaptor decorator, Atom other) -> Atom
9385  setup_particle(Model m, ParticleIndex pi, AtomType atom_type) -> Atom
9386  Atom_setup_particle(_ParticleAdaptor decorator, AtomType atom_type) -> Atom
9387  """
9388  return _IMP_atom.Atom_setup_particle(*args)
9389 
9390 def Atom_get_is_setup(*args):
9391  """
9392  get_is_setup(_ParticleAdaptor p) -> bool
9393  Atom_get_is_setup(Model m, ParticleIndex pi) -> bool
9394  """
9395  return _IMP_atom.Atom_get_is_setup(*args)
9396 
9397 def Atom_get_atom_type_key():
9398  """Atom_get_atom_type_key() -> IntKey"""
9399  return _IMP_atom.Atom_get_atom_type_key()
9400 
9401 def Atom_get_element_key():
9402  """Atom_get_element_key() -> IntKey"""
9403  return _IMP_atom.Atom_get_element_key()
9404 
9405 def Atom_get_input_index_key():
9406  """Atom_get_input_index_key() -> IntKey"""
9407  return _IMP_atom.Atom_get_input_index_key()
9408 
9409 def Atom_get_occupancy_key():
9410  """Atom_get_occupancy_key() -> FloatKey"""
9411  return _IMP_atom.Atom_get_occupancy_key()
9412 
9413 def Atom_get_temperature_factor_key():
9414  """Atom_get_temperature_factor_key() -> FloatKey"""
9415  return _IMP_atom.Atom_get_temperature_factor_key()
9416 
9417 
9418 def get_residue(*args):
9419  """
9420  get_residue(Hierarchy mhd, unsigned int index) -> Hierarchy
9421  get_residue(Atom d, bool nothrow=False) -> Residue
9422  get_residue(Atom d) -> Residue
9423  """
9424  return _IMP_atom.get_residue(*args)
9425 
9426 def get_atom(rd, at):
9427  """get_atom(Residue rd, AtomType at) -> Atom"""
9428  return _IMP_atom.get_atom(rd, at)
9429 
9430 def add_atom_type(name, e):
9431  """add_atom_type(std::string name, IMP::atom::Element e) -> AtomType"""
9432  return _IMP_atom.add_atom_type(name, e)
9433 
9434 def get_element_for_atom_type(at):
9435  """get_element_for_atom_type(AtomType at) -> IMP::atom::Element"""
9436  return _IMP_atom.get_element_for_atom_type(at)
9437 
9438 def get_atom_type_exists(name):
9439  """get_atom_type_exists(std::string name) -> bool"""
9440  return _IMP_atom.get_atom_type_exists(name)
9441 class Residue(Hierarchy):
9442  """Proxy of C++ IMP::atom::Residue class"""
9443  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
9444 
9445  def __init__(self, *args):
9446  """
9447  __init__(IMP::atom::Residue self) -> Residue
9448  __init__(IMP::atom::Residue self, Model m, ParticleIndex id) -> Residue
9449  __init__(IMP::atom::Residue self, _ParticleAdaptor d) -> Residue
9450  """
9451  this = _IMP_atom.new_Residue(*args)
9452  try:
9453  self.this.append(this)
9454  except:
9455  self.this = this
9456 
9457  def show(self, *args):
9458  """
9459  show(Residue self, _ostream out)
9460  show(Residue self)
9461  """
9462  return _IMP_atom.Residue_show(self, *args)
9463 
9464 
9465  def setup_particle(*args):
9466  """
9467  setup_particle(Model m, ParticleIndex pi, ResidueType t, int index, int insertion_code) -> Residue
9468  setup_particle(_ParticleAdaptor decorator, ResidueType t, int index, int insertion_code) -> Residue
9469  setup_particle(Model m, ParticleIndex pi, ResidueType t, int index) -> Residue
9470  setup_particle(_ParticleAdaptor decorator, ResidueType t, int index) -> Residue
9471  setup_particle(Model m, ParticleIndex pi, ResidueType t) -> Residue
9472  setup_particle(_ParticleAdaptor decorator, ResidueType t) -> Residue
9473  setup_particle(Model m, ParticleIndex pi, Residue other) -> Residue
9474  setup_particle(_ParticleAdaptor decorator, Residue other) -> Residue
9475  """
9476  return _IMP_atom.Residue_setup_particle(*args)
9477 
9478  setup_particle = staticmethod(setup_particle)
9479 
9480  def get_is_setup(*args):
9481  """
9482  get_is_setup(_ParticleAdaptor p) -> bool
9483  get_is_setup(Model m, ParticleIndex pi) -> bool
9484  """
9485  return _IMP_atom.Residue_get_is_setup(*args)
9486 
9487  get_is_setup = staticmethod(get_is_setup)
9488 
9489  def get_residue_type(self):
9490  """get_residue_type(Residue self) -> ResidueType"""
9491  return _IMP_atom.Residue_get_residue_type(self)
9492 
9493 
9494  def set_residue_type(self, t):
9495  """set_residue_type(Residue self, ResidueType t)"""
9496  return _IMP_atom.Residue_set_residue_type(self, t)
9497 
9498 
9499  def get_is_protein(self):
9500  """get_is_protein(Residue self) -> bool"""
9501  return _IMP_atom.Residue_get_is_protein(self)
9502 
9503 
9504  def get_is_dna(self):
9505  """get_is_dna(Residue self) -> bool"""
9506  return _IMP_atom.Residue_get_is_dna(self)
9507 
9508 
9509  def get_is_rna(self):
9510  """get_is_rna(Residue self) -> bool"""
9511  return _IMP_atom.Residue_get_is_rna(self)
9512 
9513 
9514  def get_index(self):
9515  """get_index(Residue self) -> IMP::Int"""
9516  return _IMP_atom.Residue_get_index(self)
9517 
9518 
9519  def set_index(self, t):
9520  """set_index(Residue self, IMP::Int t)"""
9521  return _IMP_atom.Residue_set_index(self, t)
9522 
9523 
9524  def get_insertion_code(self):
9525  """get_insertion_code(Residue self) -> char"""
9526  return _IMP_atom.Residue_get_insertion_code(self)
9527 
9528 
9529  def set_insertion_code(self, insertion_code):
9530  """set_insertion_code(Residue self, char insertion_code)"""
9531  return _IMP_atom.Residue_set_insertion_code(self, insertion_code)
9532 
9533 
9534  def get_index_key():
9535  """get_index_key() -> IntKey"""
9536  return _IMP_atom.Residue_get_index_key()
9537 
9538  get_index_key = staticmethod(get_index_key)
9539 
9540  def get_residue_type_key():
9541  """get_residue_type_key() -> IntKey"""
9542  return _IMP_atom.Residue_get_residue_type_key()
9543 
9544  get_residue_type_key = staticmethod(get_residue_type_key)
9545 
9546  def get_insertion_code_key():
9547  """get_insertion_code_key() -> IntKey"""
9548  return _IMP_atom.Residue_get_insertion_code_key()
9549 
9550  get_insertion_code_key = staticmethod(get_insertion_code_key)
9551 
9552  def add_attribute(self, *args):
9553  """
9554  add_attribute(Residue self, FloatKey k, IMP::Float v, bool opt)
9555  add_attribute(Residue self, FloatKey a0, IMP::Float a1)
9556  add_attribute(Residue self, IntKey a0, IMP::Int a1)
9557  add_attribute(Residue self, FloatsKey a0, IMP::Floats a1)
9558  add_attribute(Residue self, IntsKey a0, IMP::Ints a1)
9559  add_attribute(Residue self, StringKey a0, IMP::String a1)
9560  add_attribute(Residue self, ParticleIndexKey a0, Particle a1)
9561  add_attribute(Residue self, ObjectKey a0, Object a1)
9562  """
9563  return _IMP_atom.Residue_add_attribute(self, *args)
9564 
9565 
9566  def get_value(self, *args):
9567  """
9568  get_value(Residue self, FloatKey a0) -> IMP::Float
9569  get_value(Residue self, IntKey a0) -> IMP::Int
9570  get_value(Residue self, FloatsKey a0) -> IMP::Floats
9571  get_value(Residue self, IntsKey a0) -> IMP::Ints
9572  get_value(Residue self, StringKey a0) -> IMP::String
9573  get_value(Residue self, ParticleIndexKey a0) -> Particle
9574  get_value(Residue self, ObjectKey a0) -> Object
9575  """
9576  return _IMP_atom.Residue_get_value(self, *args)
9577 
9578 
9579  def set_value(self, *args):
9580  """
9581  set_value(Residue self, FloatKey a0, IMP::Float a1)
9582  set_value(Residue self, IntKey a0, IMP::Int a1)
9583  set_value(Residue self, FloatsKey a0, IMP::Floats a1)
9584  set_value(Residue self, IntsKey a0, IMP::Ints a1)
9585  set_value(Residue self, StringKey a0, IMP::String a1)
9586  set_value(Residue self, ParticleIndexKey a0, Particle a1)
9587  set_value(Residue self, ObjectKey a0, Object a1)
9588  """
9589  return _IMP_atom.Residue_set_value(self, *args)
9590 
9591 
9592  def remove_attribute(self, *args):
9593  """
9594  remove_attribute(Residue self, FloatKey a0)
9595  remove_attribute(Residue self, IntKey a0)
9596  remove_attribute(Residue self, FloatsKey a0)
9597  remove_attribute(Residue self, IntsKey a0)
9598  remove_attribute(Residue self, StringKey a0)
9599  remove_attribute(Residue self, ParticleIndexKey a0)
9600  remove_attribute(Residue self, ObjectKey a0)
9601  """
9602  return _IMP_atom.Residue_remove_attribute(self, *args)
9603 
9604 
9605  def has_attribute(self, *args):
9606  """
9607  has_attribute(Residue self, FloatKey a0) -> bool
9608  has_attribute(Residue self, IntKey a0) -> bool
9609  has_attribute(Residue self, FloatsKey a0) -> bool
9610  has_attribute(Residue self, IntsKey a0) -> bool
9611  has_attribute(Residue self, StringKey a0) -> bool
9612  has_attribute(Residue self, ParticleIndexKey a0) -> bool
9613  has_attribute(Residue self, ObjectKey a0) -> bool
9614  """
9615  return _IMP_atom.Residue_has_attribute(self, *args)
9616 
9617 
9618  def get_derivative(self, a0):
9619  """get_derivative(Residue self, FloatKey a0) -> double"""
9620  return _IMP_atom.Residue_get_derivative(self, a0)
9621 
9622 
9623  def get_name(self):
9624  """get_name(Residue self) -> std::string"""
9625  return _IMP_atom.Residue_get_name(self)
9626 
9627 
9628  def clear_caches(self):
9629  """clear_caches(Residue self)"""
9630  return _IMP_atom.Residue_clear_caches(self)
9631 
9632 
9633  def set_name(self, a0):
9634  """set_name(Residue self, std::string a0)"""
9635  return _IMP_atom.Residue_set_name(self, a0)
9636 
9637 
9638  def set_check_level(self, a0):
9639  """set_check_level(Residue self, IMP::CheckLevel a0)"""
9640  return _IMP_atom.Residue_set_check_level(self, a0)
9641 
9642 
9643  def add_to_derivative(self, a0, a1, a2):
9644  """add_to_derivative(Residue self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9645  return _IMP_atom.Residue_add_to_derivative(self, a0, a1, a2)
9646 
9647 
9648  def set_is_optimized(self, a0, a1):
9649  """set_is_optimized(Residue self, FloatKey a0, bool a1)"""
9650  return _IMP_atom.Residue_set_is_optimized(self, a0, a1)
9651 
9652 
9653  def get_is_optimized(self, a0):
9654  """get_is_optimized(Residue self, FloatKey a0) -> bool"""
9655  return _IMP_atom.Residue_get_is_optimized(self, a0)
9656 
9657 
9658  def get_check_level(self):
9659  """get_check_level(Residue self) -> IMP::CheckLevel"""
9660  return _IMP_atom.Residue_get_check_level(self)
9661 
9662 
9663  def __eq__(self, *args):
9664  """
9665  __eq__(Residue self, Residue o) -> bool
9666  __eq__(Residue self, Particle d) -> bool
9667  """
9668  return _IMP_atom.Residue___eq__(self, *args)
9669 
9670 
9671  def __ne__(self, *args):
9672  """
9673  __ne__(Residue self, Residue o) -> bool
9674  __ne__(Residue self, Particle d) -> bool
9675  """
9676  return _IMP_atom.Residue___ne__(self, *args)
9677 
9678 
9679  def __le__(self, *args):
9680  """
9681  __le__(Residue self, Residue o) -> bool
9682  __le__(Residue self, Particle d) -> bool
9683  """
9684  return _IMP_atom.Residue___le__(self, *args)
9685 
9686 
9687  def __lt__(self, *args):
9688  """
9689  __lt__(Residue self, Residue o) -> bool
9690  __lt__(Residue self, Particle d) -> bool
9691  """
9692  return _IMP_atom.Residue___lt__(self, *args)
9693 
9694 
9695  def __ge__(self, *args):
9696  """
9697  __ge__(Residue self, Residue o) -> bool
9698  __ge__(Residue self, Particle d) -> bool
9699  """
9700  return _IMP_atom.Residue___ge__(self, *args)
9701 
9702 
9703  def __gt__(self, *args):
9704  """
9705  __gt__(Residue self, Residue o) -> bool
9706  __gt__(Residue self, Particle d) -> bool
9707  """
9708  return _IMP_atom.Residue___gt__(self, *args)
9709 
9710 
9711  def __hash__(self):
9712  """__hash__(Residue self) -> std::size_t"""
9713  return _IMP_atom.Residue___hash__(self)
9714 
9715 
9716  def __str__(self):
9717  """__str__(Residue self) -> std::string"""
9718  return _IMP_atom.Residue___str__(self)
9719 
9720 
9721  def __repr__(self):
9722  """__repr__(Residue self) -> std::string"""
9723  return _IMP_atom.Residue___repr__(self)
9724 
9725  __swig_destroy__ = _IMP_atom.delete_Residue
9726  __del__ = lambda self: None
9727 Residue_swigregister = _IMP_atom.Residue_swigregister
9728 Residue_swigregister(Residue)
9729 UNK = cvar.UNK
9730 GLY = cvar.GLY
9731 ALA = cvar.ALA
9732 VAL = cvar.VAL
9733 LEU = cvar.LEU
9734 ILE = cvar.ILE
9735 SER = cvar.SER
9736 THR = cvar.THR
9737 CYS = cvar.CYS
9738 MET = cvar.MET
9739 PRO = cvar.PRO
9740 ASP = cvar.ASP
9741 ASN = cvar.ASN
9742 GLU = cvar.GLU
9743 GLN = cvar.GLN
9744 LYS = cvar.LYS
9745 ARG = cvar.ARG
9746 HIS = cvar.HIS
9747 PHE = cvar.PHE
9748 TYR = cvar.TYR
9749 TRP = cvar.TRP
9750 ACE = cvar.ACE
9751 NH2 = cvar.NH2
9752 ADE = cvar.ADE
9753 URA = cvar.URA
9754 CYT = cvar.CYT
9755 GUA = cvar.GUA
9756 THY = cvar.THY
9757 DADE = cvar.DADE
9758 DURA = cvar.DURA
9759 DCYT = cvar.DCYT
9760 DGUA = cvar.DGUA
9761 DTHY = cvar.DTHY
9762 HOH = cvar.HOH
9763 HEME = cvar.HEME
9764 POP = cvar.POP
9765 
9766 def Residue_setup_particle(*args):
9767  """
9768  setup_particle(Model m, ParticleIndex pi, ResidueType t, int index, int insertion_code) -> Residue
9769  setup_particle(_ParticleAdaptor decorator, ResidueType t, int index, int insertion_code) -> Residue
9770  setup_particle(Model m, ParticleIndex pi, ResidueType t, int index) -> Residue
9771  setup_particle(_ParticleAdaptor decorator, ResidueType t, int index) -> Residue
9772  setup_particle(Model m, ParticleIndex pi, ResidueType t) -> Residue
9773  setup_particle(_ParticleAdaptor decorator, ResidueType t) -> Residue
9774  setup_particle(Model m, ParticleIndex pi, Residue other) -> Residue
9775  Residue_setup_particle(_ParticleAdaptor decorator, Residue other) -> Residue
9776  """
9777  return _IMP_atom.Residue_setup_particle(*args)
9778 
9779 def Residue_get_is_setup(*args):
9780  """
9781  get_is_setup(_ParticleAdaptor p) -> bool
9782  Residue_get_is_setup(Model m, ParticleIndex pi) -> bool
9783  """
9784  return _IMP_atom.Residue_get_is_setup(*args)
9785 
9786 def Residue_get_index_key():
9787  """Residue_get_index_key() -> IntKey"""
9788  return _IMP_atom.Residue_get_index_key()
9789 
9790 def Residue_get_residue_type_key():
9791  """Residue_get_residue_type_key() -> IntKey"""
9792  return _IMP_atom.Residue_get_residue_type_key()
9793 
9794 def Residue_get_insertion_code_key():
9795  """Residue_get_insertion_code_key() -> IntKey"""
9796  return _IMP_atom.Residue_get_insertion_code_key()
9797 
9798 
9799 def get_next_residue(rd):
9800  """get_next_residue(Residue rd) -> Hierarchy"""
9801  return _IMP_atom.get_next_residue(rd)
9802 
9803 def get_previous_residue(rd):
9804  """get_previous_residue(Residue rd) -> Hierarchy"""
9805  return _IMP_atom.get_previous_residue(rd)
9806 
9807 def get_one_letter_code(c):
9808  """get_one_letter_code(ResidueType c) -> char"""
9809  return _IMP_atom.get_one_letter_code(c)
9810 
9811 _IMP_atom.BALLS_swigconstant(_IMP_atom)
9812 BALLS = _IMP_atom.BALLS
9813 
9814 _IMP_atom.DENSITIES_swigconstant(_IMP_atom)
9815 DENSITIES = _IMP_atom.DENSITIES
9816 class Representation(Hierarchy):
9817  """Proxy of C++ IMP::atom::Representation class"""
9818  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
9819 
9820  def setup_particle(*args):
9821  """
9822  setup_particle(Model m, ParticleIndex pi) -> Representation
9823  setup_particle(_ParticleAdaptor decorator) -> Representation
9824  setup_particle(Model m, ParticleIndex pi, double resolution) -> Representation
9825  setup_particle(_ParticleAdaptor decorator, double resolution) -> Representation
9826  setup_particle(Model m, ParticleIndex pi, Representation other) -> Representation
9827  setup_particle(_ParticleAdaptor decorator, Representation other) -> Representation
9828  """
9829  return _IMP_atom.Representation_setup_particle(*args)
9830 
9831  setup_particle = staticmethod(setup_particle)
9832 
9833  def __init__(self, *args):
9834  """
9835  __init__(IMP::atom::Representation self) -> Representation
9836  __init__(IMP::atom::Representation self, Model m, ParticleIndex id) -> Representation
9837  __init__(IMP::atom::Representation self, _ParticleAdaptor d) -> Representation
9838  """
9839  this = _IMP_atom.new_Representation(*args)
9840  try:
9841  self.this.append(this)
9842  except:
9843  self.this = this
9844 
9845  def show(self, *args):
9846  """
9847  show(Representation self, _ostream out)
9848  show(Representation self)
9849  """
9850  return _IMP_atom.Representation_show(self, *args)
9851 
9852 
9853  def get_is_setup(*args):
9854  """
9855  get_is_setup(_ParticleAdaptor p) -> bool
9856  get_is_setup(Model m, ParticleIndex pi) -> bool
9857  """
9858  return _IMP_atom.Representation_get_is_setup(*args)
9859 
9860  get_is_setup = staticmethod(get_is_setup)
9861 
9862  def get_representation(self, *args):
9863  """
9864  get_representation(Representation self, double resolution, IMP::atom::RepresentationType type) -> Hierarchy
9865  get_representation(Representation self, double resolution) -> Hierarchy
9866  """
9867  return _IMP_atom.Representation_get_representation(self, *args)
9868 
9869 
9870  def get_representations(self, *args):
9871  """
9872  get_representations(Representation self, IMP::atom::RepresentationType type) -> IMP::atom::Hierarchies
9873  get_representations(Representation self) -> IMP::atom::Hierarchies
9874  """
9875  return _IMP_atom.Representation_get_representations(self, *args)
9876 
9877 
9878  def add_representation(self, *args):
9879  """
9880  add_representation(Representation self, _ParticleIndexAdaptor rep, IMP::atom::RepresentationType type, double resolution=-1)
9881  add_representation(Representation self, _ParticleIndexAdaptor rep, IMP::atom::RepresentationType type)
9882  add_representation(Representation self, _ParticleIndexAdaptor rep)
9883  """
9884  return _IMP_atom.Representation_add_representation(self, *args)
9885 
9886 
9887  def get_resolutions(self, *args):
9888  """
9889  get_resolutions(Representation self, IMP::atom::RepresentationType type) -> IMP::Floats
9890  get_resolutions(Representation self) -> IMP::Floats
9891  """
9892  return _IMP_atom.Representation_get_resolutions(self, *args)
9893 
9894 
9895  def remove_representation(self, rep):
9896  """remove_representation(Representation self, _ParticleIndexAdaptor rep)"""
9897  return _IMP_atom.Representation_remove_representation(self, rep)
9898 
9899 
9900  def update_parents(self):
9901  """update_parents(Representation self)"""
9902  return _IMP_atom.Representation_update_parents(self)
9903 
9904 
9905  def add_attribute(self, *args):
9906  """
9907  add_attribute(Representation self, FloatKey k, IMP::Float v, bool opt)
9908  add_attribute(Representation self, FloatKey a0, IMP::Float a1)
9909  add_attribute(Representation self, IntKey a0, IMP::Int a1)
9910  add_attribute(Representation self, FloatsKey a0, IMP::Floats a1)
9911  add_attribute(Representation self, IntsKey a0, IMP::Ints a1)
9912  add_attribute(Representation self, StringKey a0, IMP::String a1)
9913  add_attribute(Representation self, ParticleIndexKey a0, Particle a1)
9914  add_attribute(Representation self, ObjectKey a0, Object a1)
9915  """
9916  return _IMP_atom.Representation_add_attribute(self, *args)
9917 
9918 
9919  def get_value(self, *args):
9920  """
9921  get_value(Representation self, FloatKey a0) -> IMP::Float
9922  get_value(Representation self, IntKey a0) -> IMP::Int
9923  get_value(Representation self, FloatsKey a0) -> IMP::Floats
9924  get_value(Representation self, IntsKey a0) -> IMP::Ints
9925  get_value(Representation self, StringKey a0) -> IMP::String
9926  get_value(Representation self, ParticleIndexKey a0) -> Particle
9927  get_value(Representation self, ObjectKey a0) -> Object
9928  """
9929  return _IMP_atom.Representation_get_value(self, *args)
9930 
9931 
9932  def set_value(self, *args):
9933  """
9934  set_value(Representation self, FloatKey a0, IMP::Float a1)
9935  set_value(Representation self, IntKey a0, IMP::Int a1)
9936  set_value(Representation self, FloatsKey a0, IMP::Floats a1)
9937  set_value(Representation self, IntsKey a0, IMP::Ints a1)
9938  set_value(Representation self, StringKey a0, IMP::String a1)
9939  set_value(Representation self, ParticleIndexKey a0, Particle a1)
9940  set_value(Representation self, ObjectKey a0, Object a1)
9941  """
9942  return _IMP_atom.Representation_set_value(self, *args)
9943 
9944 
9945  def remove_attribute(self, *args):
9946  """
9947  remove_attribute(Representation self, FloatKey a0)
9948  remove_attribute(Representation self, IntKey a0)
9949  remove_attribute(Representation self, FloatsKey a0)
9950  remove_attribute(Representation self, IntsKey a0)
9951  remove_attribute(Representation self, StringKey a0)
9952  remove_attribute(Representation self, ParticleIndexKey a0)
9953  remove_attribute(Representation self, ObjectKey a0)
9954  """
9955  return _IMP_atom.Representation_remove_attribute(self, *args)
9956 
9957 
9958  def has_attribute(self, *args):
9959  """
9960  has_attribute(Representation self, FloatKey a0) -> bool
9961  has_attribute(Representation self, IntKey a0) -> bool
9962  has_attribute(Representation self, FloatsKey a0) -> bool
9963  has_attribute(Representation self, IntsKey a0) -> bool
9964  has_attribute(Representation self, StringKey a0) -> bool
9965  has_attribute(Representation self, ParticleIndexKey a0) -> bool
9966  has_attribute(Representation self, ObjectKey a0) -> bool
9967  """
9968  return _IMP_atom.Representation_has_attribute(self, *args)
9969 
9970 
9971  def get_derivative(self, a0):
9972  """get_derivative(Representation self, FloatKey a0) -> double"""
9973  return _IMP_atom.Representation_get_derivative(self, a0)
9974 
9975 
9976  def get_name(self):
9977  """get_name(Representation self) -> std::string"""
9978  return _IMP_atom.Representation_get_name(self)
9979 
9980 
9981  def clear_caches(self):
9982  """clear_caches(Representation self)"""
9983  return _IMP_atom.Representation_clear_caches(self)
9984 
9985 
9986  def set_name(self, a0):
9987  """set_name(Representation self, std::string a0)"""
9988  return _IMP_atom.Representation_set_name(self, a0)
9989 
9990 
9991  def set_check_level(self, a0):
9992  """set_check_level(Representation self, IMP::CheckLevel a0)"""
9993  return _IMP_atom.Representation_set_check_level(self, a0)
9994 
9995 
9996  def add_to_derivative(self, a0, a1, a2):
9997  """add_to_derivative(Representation self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
9998  return _IMP_atom.Representation_add_to_derivative(self, a0, a1, a2)
9999 
10000 
10001  def set_is_optimized(self, a0, a1):
10002  """set_is_optimized(Representation self, FloatKey a0, bool a1)"""
10003  return _IMP_atom.Representation_set_is_optimized(self, a0, a1)
10004 
10005 
10006  def get_is_optimized(self, a0):
10007  """get_is_optimized(Representation self, FloatKey a0) -> bool"""
10008  return _IMP_atom.Representation_get_is_optimized(self, a0)
10009 
10010 
10011  def get_check_level(self):
10012  """get_check_level(Representation self) -> IMP::CheckLevel"""
10013  return _IMP_atom.Representation_get_check_level(self)
10014 
10015 
10016  def __eq__(self, *args):
10017  """
10018  __eq__(Representation self, Representation o) -> bool
10019  __eq__(Representation self, Particle d) -> bool
10020  """
10021  return _IMP_atom.Representation___eq__(self, *args)
10022 
10023 
10024  def __ne__(self, *args):
10025  """
10026  __ne__(Representation self, Representation o) -> bool
10027  __ne__(Representation self, Particle d) -> bool
10028  """
10029  return _IMP_atom.Representation___ne__(self, *args)
10030 
10031 
10032  def __le__(self, *args):
10033  """
10034  __le__(Representation self, Representation o) -> bool
10035  __le__(Representation self, Particle d) -> bool
10036  """
10037  return _IMP_atom.Representation___le__(self, *args)
10038 
10039 
10040  def __lt__(self, *args):
10041  """
10042  __lt__(Representation self, Representation o) -> bool
10043  __lt__(Representation self, Particle d) -> bool
10044  """
10045  return _IMP_atom.Representation___lt__(self, *args)
10046 
10047 
10048  def __ge__(self, *args):
10049  """
10050  __ge__(Representation self, Representation o) -> bool
10051  __ge__(Representation self, Particle d) -> bool
10052  """
10053  return _IMP_atom.Representation___ge__(self, *args)
10054 
10055 
10056  def __gt__(self, *args):
10057  """
10058  __gt__(Representation self, Representation o) -> bool
10059  __gt__(Representation self, Particle d) -> bool
10060  """
10061  return _IMP_atom.Representation___gt__(self, *args)
10062 
10063 
10064  def __hash__(self):
10065  """__hash__(Representation self) -> std::size_t"""
10066  return _IMP_atom.Representation___hash__(self)
10067 
10068 
10069  def __str__(self):
10070  """__str__(Representation self) -> std::string"""
10071  return _IMP_atom.Representation___str__(self)
10072 
10073 
10074  def __repr__(self):
10075  """__repr__(Representation self) -> std::string"""
10076  return _IMP_atom.Representation___repr__(self)
10077 
10078  __swig_destroy__ = _IMP_atom.delete_Representation
10079  __del__ = lambda self: None
10080 Representation_swigregister = _IMP_atom.Representation_swigregister
10081 Representation_swigregister(Representation)
10082 ALL_RESOLUTIONS = cvar.ALL_RESOLUTIONS
10083 
10084 def Representation_setup_particle(*args):
10085  """
10086  setup_particle(Model m, ParticleIndex pi) -> Representation
10087  setup_particle(_ParticleAdaptor decorator) -> Representation
10088  setup_particle(Model m, ParticleIndex pi, double resolution) -> Representation
10089  setup_particle(_ParticleAdaptor decorator, double resolution) -> Representation
10090  setup_particle(Model m, ParticleIndex pi, Representation other) -> Representation
10091  Representation_setup_particle(_ParticleAdaptor decorator, Representation other) -> Representation
10092  """
10093  return _IMP_atom.Representation_setup_particle(*args)
10094 
10095 def Representation_get_is_setup(*args):
10096  """
10097  get_is_setup(_ParticleAdaptor p) -> bool
10098  Representation_get_is_setup(Model m, ParticleIndex pi) -> bool
10099  """
10100  return _IMP_atom.Representation_get_is_setup(*args)
10101 
10102 
10103 def get_resolution(*args):
10104  """
10105  get_resolution(Model m, ParticleIndex pi) -> double
10106  get_resolution(Hierarchy h) -> double
10107  """
10108  return _IMP_atom.get_resolution(*args)
10109 
10110 def get_representation(h, nothrow=False):
10111  """
10112  get_representation(Hierarchy h, bool nothrow=False) -> Representation
10113  get_representation(Hierarchy h) -> Representation
10114  """
10115  return _IMP_atom.get_representation(h, nothrow)
10116 
10117 def show_with_representations(*args):
10118  """
10119  show_with_representations(Hierarchy h, _ostream out)
10120  show_with_representations(Hierarchy h)
10121  """
10122  return _IMP_atom.show_with_representations(*args)
10123 class State(Hierarchy):
10124  """Proxy of C++ IMP::atom::State class"""
10125  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10126 
10127  def setup_particle(*args):
10128  """
10129  setup_particle(Model m, ParticleIndex pi, unsigned int index) -> State
10130  setup_particle(_ParticleAdaptor decorator, unsigned int index) -> State
10131  setup_particle(Model m, ParticleIndex pi, State other) -> State
10132  setup_particle(_ParticleAdaptor decorator, State other) -> State
10133  """
10134  return _IMP_atom.State_setup_particle(*args)
10135 
10136  setup_particle = staticmethod(setup_particle)
10137 
10138  def __init__(self, *args):
10139  """
10140  __init__(IMP::atom::State self) -> State
10141  __init__(IMP::atom::State self, Model m, ParticleIndex id) -> State
10142  __init__(IMP::atom::State self, _ParticleAdaptor d) -> State
10143  """
10144  this = _IMP_atom.new_State(*args)
10145  try:
10146  self.this.append(this)
10147  except:
10148  self.this = this
10149 
10150  def show(self, *args):
10151  """
10152  show(State self, _ostream out)
10153  show(State self)
10154  """
10155  return _IMP_atom.State_show(self, *args)
10156 
10157 
10158  def get_is_setup(*args):
10159  """
10160  get_is_setup(_ParticleAdaptor p) -> bool
10161  get_is_setup(Model m, ParticleIndex pi) -> bool
10162  """
10163  return _IMP_atom.State_get_is_setup(*args)
10164 
10165  get_is_setup = staticmethod(get_is_setup)
10166 
10167  def get_state_index(self):
10168  """get_state_index(State self) -> unsigned int"""
10169  return _IMP_atom.State_get_state_index(self)
10170 
10171 
10172  def add_attribute(self, *args):
10173  """
10174  add_attribute(State self, FloatKey k, IMP::Float v, bool opt)
10175  add_attribute(State self, FloatKey a0, IMP::Float a1)
10176  add_attribute(State self, IntKey a0, IMP::Int a1)
10177  add_attribute(State self, FloatsKey a0, IMP::Floats a1)
10178  add_attribute(State self, IntsKey a0, IMP::Ints a1)
10179  add_attribute(State self, StringKey a0, IMP::String a1)
10180  add_attribute(State self, ParticleIndexKey a0, Particle a1)
10181  add_attribute(State self, ObjectKey a0, Object a1)
10182  """
10183  return _IMP_atom.State_add_attribute(self, *args)
10184 
10185 
10186  def get_value(self, *args):
10187  """
10188  get_value(State self, FloatKey a0) -> IMP::Float
10189  get_value(State self, IntKey a0) -> IMP::Int
10190  get_value(State self, FloatsKey a0) -> IMP::Floats
10191  get_value(State self, IntsKey a0) -> IMP::Ints
10192  get_value(State self, StringKey a0) -> IMP::String
10193  get_value(State self, ParticleIndexKey a0) -> Particle
10194  get_value(State self, ObjectKey a0) -> Object
10195  """
10196  return _IMP_atom.State_get_value(self, *args)
10197 
10198 
10199  def set_value(self, *args):
10200  """
10201  set_value(State self, FloatKey a0, IMP::Float a1)
10202  set_value(State self, IntKey a0, IMP::Int a1)
10203  set_value(State self, FloatsKey a0, IMP::Floats a1)
10204  set_value(State self, IntsKey a0, IMP::Ints a1)
10205  set_value(State self, StringKey a0, IMP::String a1)
10206  set_value(State self, ParticleIndexKey a0, Particle a1)
10207  set_value(State self, ObjectKey a0, Object a1)
10208  """
10209  return _IMP_atom.State_set_value(self, *args)
10210 
10211 
10212  def remove_attribute(self, *args):
10213  """
10214  remove_attribute(State self, FloatKey a0)
10215  remove_attribute(State self, IntKey a0)
10216  remove_attribute(State self, FloatsKey a0)
10217  remove_attribute(State self, IntsKey a0)
10218  remove_attribute(State self, StringKey a0)
10219  remove_attribute(State self, ParticleIndexKey a0)
10220  remove_attribute(State self, ObjectKey a0)
10221  """
10222  return _IMP_atom.State_remove_attribute(self, *args)
10223 
10224 
10225  def has_attribute(self, *args):
10226  """
10227  has_attribute(State self, FloatKey a0) -> bool
10228  has_attribute(State self, IntKey a0) -> bool
10229  has_attribute(State self, FloatsKey a0) -> bool
10230  has_attribute(State self, IntsKey a0) -> bool
10231  has_attribute(State self, StringKey a0) -> bool
10232  has_attribute(State self, ParticleIndexKey a0) -> bool
10233  has_attribute(State self, ObjectKey a0) -> bool
10234  """
10235  return _IMP_atom.State_has_attribute(self, *args)
10236 
10237 
10238  def get_derivative(self, a0):
10239  """get_derivative(State self, FloatKey a0) -> double"""
10240  return _IMP_atom.State_get_derivative(self, a0)
10241 
10242 
10243  def get_name(self):
10244  """get_name(State self) -> std::string"""
10245  return _IMP_atom.State_get_name(self)
10246 
10247 
10248  def clear_caches(self):
10249  """clear_caches(State self)"""
10250  return _IMP_atom.State_clear_caches(self)
10251 
10252 
10253  def set_name(self, a0):
10254  """set_name(State self, std::string a0)"""
10255  return _IMP_atom.State_set_name(self, a0)
10256 
10257 
10258  def set_check_level(self, a0):
10259  """set_check_level(State self, IMP::CheckLevel a0)"""
10260  return _IMP_atom.State_set_check_level(self, a0)
10261 
10262 
10263  def add_to_derivative(self, a0, a1, a2):
10264  """add_to_derivative(State self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
10265  return _IMP_atom.State_add_to_derivative(self, a0, a1, a2)
10266 
10267 
10268  def set_is_optimized(self, a0, a1):
10269  """set_is_optimized(State self, FloatKey a0, bool a1)"""
10270  return _IMP_atom.State_set_is_optimized(self, a0, a1)
10271 
10272 
10273  def get_is_optimized(self, a0):
10274  """get_is_optimized(State self, FloatKey a0) -> bool"""
10275  return _IMP_atom.State_get_is_optimized(self, a0)
10276 
10277 
10278  def get_check_level(self):
10279  """get_check_level(State self) -> IMP::CheckLevel"""
10280  return _IMP_atom.State_get_check_level(self)
10281 
10282 
10283  def __eq__(self, *args):
10284  """
10285  __eq__(State self, State o) -> bool
10286  __eq__(State self, Particle d) -> bool
10287  """
10288  return _IMP_atom.State___eq__(self, *args)
10289 
10290 
10291  def __ne__(self, *args):
10292  """
10293  __ne__(State self, State o) -> bool
10294  __ne__(State self, Particle d) -> bool
10295  """
10296  return _IMP_atom.State___ne__(self, *args)
10297 
10298 
10299  def __le__(self, *args):
10300  """
10301  __le__(State self, State o) -> bool
10302  __le__(State self, Particle d) -> bool
10303  """
10304  return _IMP_atom.State___le__(self, *args)
10305 
10306 
10307  def __lt__(self, *args):
10308  """
10309  __lt__(State self, State o) -> bool
10310  __lt__(State self, Particle d) -> bool
10311  """
10312  return _IMP_atom.State___lt__(self, *args)
10313 
10314 
10315  def __ge__(self, *args):
10316  """
10317  __ge__(State self, State o) -> bool
10318  __ge__(State self, Particle d) -> bool
10319  """
10320  return _IMP_atom.State___ge__(self, *args)
10321 
10322 
10323  def __gt__(self, *args):
10324  """
10325  __gt__(State self, State o) -> bool
10326  __gt__(State self, Particle d) -> bool
10327  """
10328  return _IMP_atom.State___gt__(self, *args)
10329 
10330 
10331  def __hash__(self):
10332  """__hash__(State self) -> std::size_t"""
10333  return _IMP_atom.State___hash__(self)
10334 
10335 
10336  def __str__(self):
10337  """__str__(State self) -> std::string"""
10338  return _IMP_atom.State___str__(self)
10339 
10340 
10341  def __repr__(self):
10342  """__repr__(State self) -> std::string"""
10343  return _IMP_atom.State___repr__(self)
10344 
10345  __swig_destroy__ = _IMP_atom.delete_State
10346  __del__ = lambda self: None
10347 State_swigregister = _IMP_atom.State_swigregister
10348 State_swigregister(State)
10349 
10350 def State_setup_particle(*args):
10351  """
10352  setup_particle(Model m, ParticleIndex pi, unsigned int index) -> State
10353  setup_particle(_ParticleAdaptor decorator, unsigned int index) -> State
10354  setup_particle(Model m, ParticleIndex pi, State other) -> State
10355  State_setup_particle(_ParticleAdaptor decorator, State other) -> State
10356  """
10357  return _IMP_atom.State_setup_particle(*args)
10358 
10359 def State_get_is_setup(*args):
10360  """
10361  get_is_setup(_ParticleAdaptor p) -> bool
10362  State_get_is_setup(Model m, ParticleIndex pi) -> bool
10363  """
10364  return _IMP_atom.State_get_is_setup(*args)
10365 
10366 
10367 def get_state_index(h):
10368  """get_state_index(Hierarchy h) -> int"""
10369  return _IMP_atom.get_state_index(h)
10370 
10371 def get_phi_dihedral_atoms(rd):
10372  """get_phi_dihedral_atoms(Residue rd) -> IMP::atom::Atoms"""
10373  return _IMP_atom.get_phi_dihedral_atoms(rd)
10374 
10375 def get_psi_dihedral_atoms(rd):
10376  """get_psi_dihedral_atoms(Residue rd) -> IMP::atom::Atoms"""
10377  return _IMP_atom.get_psi_dihedral_atoms(rd)
10378 
10379 def get_omega_dihedral_atoms(rd):
10380  """get_omega_dihedral_atoms(Residue rd) -> IMP::atom::Atoms"""
10381  return _IMP_atom.get_omega_dihedral_atoms(rd)
10382 
10384  """get_chi_dihedral_atom_types(ResidueType rt) -> IMP::Vector< IMP::atom::AtomTypes >"""
10385  return _IMP_atom.get_chi_dihedral_atom_types(rt)
10386 
10387 def get_chi_dihedral_atoms(rd):
10388  """get_chi_dihedral_atoms(Residue rd) -> IMP::Vector< IMP::atom::Atoms >"""
10389  return _IMP_atom.get_chi_dihedral_atoms(rd)
10390 
10392  """get_chi_dihedral_particle_indexes(Residue rd) -> IMP::ParticleIndexQuads"""
10393  return _IMP_atom.get_chi_dihedral_particle_indexes(rd)
10394 class Molecule(Hierarchy):
10395  """Proxy of C++ IMP::atom::Molecule class"""
10396  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10397 
10398  def __init__(self, *args):
10399  """
10400  __init__(IMP::atom::Molecule self) -> Molecule
10401  __init__(IMP::atom::Molecule self, Model m, ParticleIndex id) -> Molecule
10402  __init__(IMP::atom::Molecule self, _ParticleAdaptor d) -> Molecule
10403  """
10404  this = _IMP_atom.new_Molecule(*args)
10405  try:
10406  self.this.append(this)
10407  except:
10408  self.this = this
10409 
10410  def show(self, *args):
10411  """
10412  show(Molecule self, _ostream out)
10413  show(Molecule self)
10414  """
10415  return _IMP_atom.Molecule_show(self, *args)
10416 
10417 
10418  def setup_particle(*args):
10419  """
10420  setup_particle(Model m, ParticleIndex pi) -> Molecule
10421  setup_particle(_ParticleAdaptor decorator) -> Molecule
10422  setup_particle(Model m, ParticleIndex pi, Molecule other) -> Molecule
10423  setup_particle(_ParticleAdaptor decorator, Molecule other) -> Molecule
10424  """
10425  return _IMP_atom.Molecule_setup_particle(*args)
10426 
10427  setup_particle = staticmethod(setup_particle)
10428 
10429  def get_is_setup(*args):
10430  """
10431  get_is_setup(_ParticleAdaptor p) -> bool
10432  get_is_setup(Model m, ParticleIndex pi) -> bool
10433  """
10434  return _IMP_atom.Molecule_get_is_setup(*args)
10435 
10436  get_is_setup = staticmethod(get_is_setup)
10437 
10438  def add_attribute(self, *args):
10439  """
10440  add_attribute(Molecule self, FloatKey k, IMP::Float v, bool opt)
10441  add_attribute(Molecule self, FloatKey a0, IMP::Float a1)
10442  add_attribute(Molecule self, IntKey a0, IMP::Int a1)
10443  add_attribute(Molecule self, FloatsKey a0, IMP::Floats a1)
10444  add_attribute(Molecule self, IntsKey a0, IMP::Ints a1)
10445  add_attribute(Molecule self, StringKey a0, IMP::String a1)
10446  add_attribute(Molecule self, ParticleIndexKey a0, Particle a1)
10447  add_attribute(Molecule self, ObjectKey a0, Object a1)
10448  """
10449  return _IMP_atom.Molecule_add_attribute(self, *args)
10450 
10451 
10452  def get_value(self, *args):
10453  """
10454  get_value(Molecule self, FloatKey a0) -> IMP::Float
10455  get_value(Molecule self, IntKey a0) -> IMP::Int
10456  get_value(Molecule self, FloatsKey a0) -> IMP::Floats
10457  get_value(Molecule self, IntsKey a0) -> IMP::Ints
10458  get_value(Molecule self, StringKey a0) -> IMP::String
10459  get_value(Molecule self, ParticleIndexKey a0) -> Particle
10460  get_value(Molecule self, ObjectKey a0) -> Object
10461  """
10462  return _IMP_atom.Molecule_get_value(self, *args)
10463 
10464 
10465  def set_value(self, *args):
10466  """
10467  set_value(Molecule self, FloatKey a0, IMP::Float a1)
10468  set_value(Molecule self, IntKey a0, IMP::Int a1)
10469  set_value(Molecule self, FloatsKey a0, IMP::Floats a1)
10470  set_value(Molecule self, IntsKey a0, IMP::Ints a1)
10471  set_value(Molecule self, StringKey a0, IMP::String a1)
10472  set_value(Molecule self, ParticleIndexKey a0, Particle a1)
10473  set_value(Molecule self, ObjectKey a0, Object a1)
10474  """
10475  return _IMP_atom.Molecule_set_value(self, *args)
10476 
10477 
10478  def remove_attribute(self, *args):
10479  """
10480  remove_attribute(Molecule self, FloatKey a0)
10481  remove_attribute(Molecule self, IntKey a0)
10482  remove_attribute(Molecule self, FloatsKey a0)
10483  remove_attribute(Molecule self, IntsKey a0)
10484  remove_attribute(Molecule self, StringKey a0)
10485  remove_attribute(Molecule self, ParticleIndexKey a0)
10486  remove_attribute(Molecule self, ObjectKey a0)
10487  """
10488  return _IMP_atom.Molecule_remove_attribute(self, *args)
10489 
10490 
10491  def has_attribute(self, *args):
10492  """
10493  has_attribute(Molecule self, FloatKey a0) -> bool
10494  has_attribute(Molecule self, IntKey a0) -> bool
10495  has_attribute(Molecule self, FloatsKey a0) -> bool
10496  has_attribute(Molecule self, IntsKey a0) -> bool
10497  has_attribute(Molecule self, StringKey a0) -> bool
10498  has_attribute(Molecule self, ParticleIndexKey a0) -> bool
10499  has_attribute(Molecule self, ObjectKey a0) -> bool
10500  """
10501  return _IMP_atom.Molecule_has_attribute(self, *args)
10502 
10503 
10504  def get_derivative(self, a0):
10505  """get_derivative(Molecule self, FloatKey a0) -> double"""
10506  return _IMP_atom.Molecule_get_derivative(self, a0)
10507 
10508 
10509  def get_name(self):
10510  """get_name(Molecule self) -> std::string"""
10511  return _IMP_atom.Molecule_get_name(self)
10512 
10513 
10514  def clear_caches(self):
10515  """clear_caches(Molecule self)"""
10516  return _IMP_atom.Molecule_clear_caches(self)
10517 
10518 
10519  def set_name(self, a0):
10520  """set_name(Molecule self, std::string a0)"""
10521  return _IMP_atom.Molecule_set_name(self, a0)
10522 
10523 
10524  def set_check_level(self, a0):
10525  """set_check_level(Molecule self, IMP::CheckLevel a0)"""
10526  return _IMP_atom.Molecule_set_check_level(self, a0)
10527 
10528 
10529  def add_to_derivative(self, a0, a1, a2):
10530  """add_to_derivative(Molecule self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
10531  return _IMP_atom.Molecule_add_to_derivative(self, a0, a1, a2)
10532 
10533 
10534  def set_is_optimized(self, a0, a1):
10535  """set_is_optimized(Molecule self, FloatKey a0, bool a1)"""
10536  return _IMP_atom.Molecule_set_is_optimized(self, a0, a1)
10537 
10538 
10539  def get_is_optimized(self, a0):
10540  """get_is_optimized(Molecule self, FloatKey a0) -> bool"""
10541  return _IMP_atom.Molecule_get_is_optimized(self, a0)
10542 
10543 
10544  def get_check_level(self):
10545  """get_check_level(Molecule self) -> IMP::CheckLevel"""
10546  return _IMP_atom.Molecule_get_check_level(self)
10547 
10548 
10549  def __eq__(self, *args):
10550  """
10551  __eq__(Molecule self, Molecule o) -> bool
10552  __eq__(Molecule self, Particle d) -> bool
10553  """
10554  return _IMP_atom.Molecule___eq__(self, *args)
10555 
10556 
10557  def __ne__(self, *args):
10558  """
10559  __ne__(Molecule self, Molecule o) -> bool
10560  __ne__(Molecule self, Particle d) -> bool
10561  """
10562  return _IMP_atom.Molecule___ne__(self, *args)
10563 
10564 
10565  def __le__(self, *args):
10566  """
10567  __le__(Molecule self, Molecule o) -> bool
10568  __le__(Molecule self, Particle d) -> bool
10569  """
10570  return _IMP_atom.Molecule___le__(self, *args)
10571 
10572 
10573  def __lt__(self, *args):
10574  """
10575  __lt__(Molecule self, Molecule o) -> bool
10576  __lt__(Molecule self, Particle d) -> bool
10577  """
10578  return _IMP_atom.Molecule___lt__(self, *args)
10579 
10580 
10581  def __ge__(self, *args):
10582  """
10583  __ge__(Molecule self, Molecule o) -> bool
10584  __ge__(Molecule self, Particle d) -> bool
10585  """
10586  return _IMP_atom.Molecule___ge__(self, *args)
10587 
10588 
10589  def __gt__(self, *args):
10590  """
10591  __gt__(Molecule self, Molecule o) -> bool
10592  __gt__(Molecule self, Particle d) -> bool
10593  """
10594  return _IMP_atom.Molecule___gt__(self, *args)
10595 
10596 
10597  def __hash__(self):
10598  """__hash__(Molecule self) -> std::size_t"""
10599  return _IMP_atom.Molecule___hash__(self)
10600 
10601 
10602  def __str__(self):
10603  """__str__(Molecule self) -> std::string"""
10604  return _IMP_atom.Molecule___str__(self)
10605 
10606 
10607  def __repr__(self):
10608  """__repr__(Molecule self) -> std::string"""
10609  return _IMP_atom.Molecule___repr__(self)
10610 
10611  __swig_destroy__ = _IMP_atom.delete_Molecule
10612  __del__ = lambda self: None
10613 Molecule_swigregister = _IMP_atom.Molecule_swigregister
10614 Molecule_swigregister(Molecule)
10615 
10616 def Molecule_setup_particle(*args):
10617  """
10618  setup_particle(Model m, ParticleIndex pi) -> Molecule
10619  setup_particle(_ParticleAdaptor decorator) -> Molecule
10620  setup_particle(Model m, ParticleIndex pi, Molecule other) -> Molecule
10621  Molecule_setup_particle(_ParticleAdaptor decorator, Molecule other) -> Molecule
10622  """
10623  return _IMP_atom.Molecule_setup_particle(*args)
10624 
10625 def Molecule_get_is_setup(*args):
10626  """
10627  get_is_setup(_ParticleAdaptor p) -> bool
10628  Molecule_get_is_setup(Model m, ParticleIndex pi) -> bool
10629  """
10630  return _IMP_atom.Molecule_get_is_setup(*args)
10631 
10632 
10633 def get_molecule_name(h):
10634  """get_molecule_name(Hierarchy h) -> std::string"""
10635  return _IMP_atom.get_molecule_name(h)
10636 class Copy(Molecule):
10637  """Proxy of C++ IMP::atom::Copy class"""
10638  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10639 
10640  def get_copy_index_key():
10641  """get_copy_index_key() -> IntKey"""
10642  return _IMP_atom.Copy_get_copy_index_key()
10643 
10644  get_copy_index_key = staticmethod(get_copy_index_key)
10645 
10646  def __init__(self, *args):
10647  """
10648  __init__(IMP::atom::Copy self) -> Copy
10649  __init__(IMP::atom::Copy self, Model m, ParticleIndex id) -> Copy
10650  __init__(IMP::atom::Copy self, _ParticleAdaptor d) -> Copy
10651  """
10652  this = _IMP_atom.new_Copy(*args)
10653  try:
10654  self.this.append(this)
10655  except:
10656  self.this = this
10657 
10658  def show(self, *args):
10659  """
10660  show(Copy self, _ostream out)
10661  show(Copy self)
10662  """
10663  return _IMP_atom.Copy_show(self, *args)
10664 
10665 
10666  def setup_particle(*args):
10667  """
10668  setup_particle(Model m, ParticleIndex pi, IMP::Int number) -> Copy
10669  setup_particle(_ParticleAdaptor decorator, IMP::Int number) -> Copy
10670  """
10671  return _IMP_atom.Copy_setup_particle(*args)
10672 
10673  setup_particle = staticmethod(setup_particle)
10674 
10675  def get_is_setup(*args):
10676  """
10677  get_is_setup(_ParticleAdaptor p) -> bool
10678  get_is_setup(Model m, ParticleIndex pi) -> bool
10679  """
10680  return _IMP_atom.Copy_get_is_setup(*args)
10681 
10682  get_is_setup = staticmethod(get_is_setup)
10683 
10684  def get_copy_index(self):
10685  """get_copy_index(Copy self) -> int"""
10686  return _IMP_atom.Copy_get_copy_index(self)
10687 
10688 
10689  def add_attribute(self, *args):
10690  """
10691  add_attribute(Copy self, FloatKey k, IMP::Float v, bool opt)
10692  add_attribute(Copy self, FloatKey a0, IMP::Float a1)
10693  add_attribute(Copy self, IntKey a0, IMP::Int a1)
10694  add_attribute(Copy self, FloatsKey a0, IMP::Floats a1)
10695  add_attribute(Copy self, IntsKey a0, IMP::Ints a1)
10696  add_attribute(Copy self, StringKey a0, IMP::String a1)
10697  add_attribute(Copy self, ParticleIndexKey a0, Particle a1)
10698  add_attribute(Copy self, ObjectKey a0, Object a1)
10699  """
10700  return _IMP_atom.Copy_add_attribute(self, *args)
10701 
10702 
10703  def get_value(self, *args):
10704  """
10705  get_value(Copy self, FloatKey a0) -> IMP::Float
10706  get_value(Copy self, IntKey a0) -> IMP::Int
10707  get_value(Copy self, FloatsKey a0) -> IMP::Floats
10708  get_value(Copy self, IntsKey a0) -> IMP::Ints
10709  get_value(Copy self, StringKey a0) -> IMP::String
10710  get_value(Copy self, ParticleIndexKey a0) -> Particle
10711  get_value(Copy self, ObjectKey a0) -> Object
10712  """
10713  return _IMP_atom.Copy_get_value(self, *args)
10714 
10715 
10716  def set_value(self, *args):
10717  """
10718  set_value(Copy self, FloatKey a0, IMP::Float a1)
10719  set_value(Copy self, IntKey a0, IMP::Int a1)
10720  set_value(Copy self, FloatsKey a0, IMP::Floats a1)
10721  set_value(Copy self, IntsKey a0, IMP::Ints a1)
10722  set_value(Copy self, StringKey a0, IMP::String a1)
10723  set_value(Copy self, ParticleIndexKey a0, Particle a1)
10724  set_value(Copy self, ObjectKey a0, Object a1)
10725  """
10726  return _IMP_atom.Copy_set_value(self, *args)
10727 
10728 
10729  def remove_attribute(self, *args):
10730  """
10731  remove_attribute(Copy self, FloatKey a0)
10732  remove_attribute(Copy self, IntKey a0)
10733  remove_attribute(Copy self, FloatsKey a0)
10734  remove_attribute(Copy self, IntsKey a0)
10735  remove_attribute(Copy self, StringKey a0)
10736  remove_attribute(Copy self, ParticleIndexKey a0)
10737  remove_attribute(Copy self, ObjectKey a0)
10738  """
10739  return _IMP_atom.Copy_remove_attribute(self, *args)
10740 
10741 
10742  def has_attribute(self, *args):
10743  """
10744  has_attribute(Copy self, FloatKey a0) -> bool
10745  has_attribute(Copy self, IntKey a0) -> bool
10746  has_attribute(Copy self, FloatsKey a0) -> bool
10747  has_attribute(Copy self, IntsKey a0) -> bool
10748  has_attribute(Copy self, StringKey a0) -> bool
10749  has_attribute(Copy self, ParticleIndexKey a0) -> bool
10750  has_attribute(Copy self, ObjectKey a0) -> bool
10751  """
10752  return _IMP_atom.Copy_has_attribute(self, *args)
10753 
10754 
10755  def get_derivative(self, a0):
10756  """get_derivative(Copy self, FloatKey a0) -> double"""
10757  return _IMP_atom.Copy_get_derivative(self, a0)
10758 
10759 
10760  def get_name(self):
10761  """get_name(Copy self) -> std::string"""
10762  return _IMP_atom.Copy_get_name(self)
10763 
10764 
10765  def clear_caches(self):
10766  """clear_caches(Copy self)"""
10767  return _IMP_atom.Copy_clear_caches(self)
10768 
10769 
10770  def set_name(self, a0):
10771  """set_name(Copy self, std::string a0)"""
10772  return _IMP_atom.Copy_set_name(self, a0)
10773 
10774 
10775  def set_check_level(self, a0):
10776  """set_check_level(Copy self, IMP::CheckLevel a0)"""
10777  return _IMP_atom.Copy_set_check_level(self, a0)
10778 
10779 
10780  def add_to_derivative(self, a0, a1, a2):
10781  """add_to_derivative(Copy self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
10782  return _IMP_atom.Copy_add_to_derivative(self, a0, a1, a2)
10783 
10784 
10785  def set_is_optimized(self, a0, a1):
10786  """set_is_optimized(Copy self, FloatKey a0, bool a1)"""
10787  return _IMP_atom.Copy_set_is_optimized(self, a0, a1)
10788 
10789 
10790  def get_is_optimized(self, a0):
10791  """get_is_optimized(Copy self, FloatKey a0) -> bool"""
10792  return _IMP_atom.Copy_get_is_optimized(self, a0)
10793 
10794 
10795  def get_check_level(self):
10796  """get_check_level(Copy self) -> IMP::CheckLevel"""
10797  return _IMP_atom.Copy_get_check_level(self)
10798 
10799 
10800  def __eq__(self, *args):
10801  """
10802  __eq__(Copy self, Copy o) -> bool
10803  __eq__(Copy self, Particle d) -> bool
10804  """
10805  return _IMP_atom.Copy___eq__(self, *args)
10806 
10807 
10808  def __ne__(self, *args):
10809  """
10810  __ne__(Copy self, Copy o) -> bool
10811  __ne__(Copy self, Particle d) -> bool
10812  """
10813  return _IMP_atom.Copy___ne__(self, *args)
10814 
10815 
10816  def __le__(self, *args):
10817  """
10818  __le__(Copy self, Copy o) -> bool
10819  __le__(Copy self, Particle d) -> bool
10820  """
10821  return _IMP_atom.Copy___le__(self, *args)
10822 
10823 
10824  def __lt__(self, *args):
10825  """
10826  __lt__(Copy self, Copy o) -> bool
10827  __lt__(Copy self, Particle d) -> bool
10828  """
10829  return _IMP_atom.Copy___lt__(self, *args)
10830 
10831 
10832  def __ge__(self, *args):
10833  """
10834  __ge__(Copy self, Copy o) -> bool
10835  __ge__(Copy self, Particle d) -> bool
10836  """
10837  return _IMP_atom.Copy___ge__(self, *args)
10838 
10839 
10840  def __gt__(self, *args):
10841  """
10842  __gt__(Copy self, Copy o) -> bool
10843  __gt__(Copy self, Particle d) -> bool
10844  """
10845  return _IMP_atom.Copy___gt__(self, *args)
10846 
10847 
10848  def __hash__(self):
10849  """__hash__(Copy self) -> std::size_t"""
10850  return _IMP_atom.Copy___hash__(self)
10851 
10852 
10853  def __str__(self):
10854  """__str__(Copy self) -> std::string"""
10855  return _IMP_atom.Copy___str__(self)
10856 
10857 
10858  def __repr__(self):
10859  """__repr__(Copy self) -> std::string"""
10860  return _IMP_atom.Copy___repr__(self)
10861 
10862  __swig_destroy__ = _IMP_atom.delete_Copy
10863  __del__ = lambda self: None
10864 Copy_swigregister = _IMP_atom.Copy_swigregister
10865 Copy_swigregister(Copy)
10866 
10867 def Copy_get_copy_index_key():
10868  """Copy_get_copy_index_key() -> IntKey"""
10869  return _IMP_atom.Copy_get_copy_index_key()
10870 
10871 def Copy_setup_particle(*args):
10872  """
10873  setup_particle(Model m, ParticleIndex pi, IMP::Int number) -> Copy
10874  Copy_setup_particle(_ParticleAdaptor decorator, IMP::Int number) -> Copy
10875  """
10876  return _IMP_atom.Copy_setup_particle(*args)
10877 
10878 def Copy_get_is_setup(*args):
10879  """
10880  get_is_setup(_ParticleAdaptor p) -> bool
10881  Copy_get_is_setup(Model m, ParticleIndex pi) -> bool
10882  """
10883  return _IMP_atom.Copy_get_is_setup(*args)
10884 
10885 
10886 def get_copy_index(h):
10887  """get_copy_index(Hierarchy h) -> int"""
10888  return _IMP_atom.get_copy_index(h)
10889 class Selection(IMP._ParticleIndexesAdaptor):
10890  """Proxy of C++ IMP::atom::Selection class"""
10891  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
10892  NONE = _IMP_atom.Selection_NONE
10893  C = _IMP_atom.Selection_C
10894  N = _IMP_atom.Selection_N
10895 
10896  def __init__(self, *args):
10897  """
10898  __init__(IMP::atom::Selection self) -> Selection
10899  __init__(IMP::atom::Selection self, Hierarchy h) -> Selection
10900  __init__(IMP::atom::Selection self, Particle h) -> Selection
10901  __init__(IMP::atom::Selection self, Model m, IMP::ParticleIndexes const & pis) -> Selection
10902  __init__(IMP::atom::Selection self, IMP::ParticlesTemp const & h) -> Selection
10903  """
10904  this = _IMP_atom.new_Selection(*args)
10905  try:
10906  self.this.append(this)
10907  except:
10908  self.this = this
10909 
10910  def create_clone(self):
10911  """create_clone(Selection self) -> Selection"""
10912  return _IMP_atom.Selection_create_clone(self)
10913 
10914 
10915  def get_hierarchies(self):
10916  """get_hierarchies(Selection self) -> IMP::atom::Hierarchies"""
10917  return _IMP_atom.Selection_get_hierarchies(self)
10918 
10919 
10920  def set_molecules(self, mols):
10921  """set_molecules(Selection self, IMP::Strings mols)"""
10922  return _IMP_atom.Selection_set_molecules(self, mols)
10923 
10924 
10925  def set_resolution(self, r):
10926  """set_resolution(Selection self, double r)"""
10927  return _IMP_atom.Selection_set_resolution(self, r)
10928 
10929 
10930  def set_representation_type(self, t):
10931  """set_representation_type(Selection self, IMP::atom::RepresentationType t)"""
10932  return _IMP_atom.Selection_set_representation_type(self, t)
10933 
10934 
10935  def set_state_index(self, state):
10936  """set_state_index(Selection self, int state)"""
10937  return _IMP_atom.Selection_set_state_index(self, state)
10938 
10939 
10940  def set_state_indexes(self, states):
10941  """set_state_indexes(Selection self, IMP::Ints states)"""
10942  return _IMP_atom.Selection_set_state_indexes(self, states)
10943 
10944 
10945  def set_terminus(self, t):
10946  """set_terminus(Selection self, IMP::atom::Selection::Terminus t)"""
10947  return _IMP_atom.Selection_set_terminus(self, t)
10948 
10949 
10950  def set_element(self, e):
10951  """set_element(Selection self, IMP::atom::Element e)"""
10952  return _IMP_atom.Selection_set_element(self, e)
10953 
10954 
10955  def set_chain_ids(self, chains):
10956  """set_chain_ids(Selection self, IMP::Strings chains)"""
10957  return _IMP_atom.Selection_set_chain_ids(self, chains)
10958 
10959 
10960  def set_chains(self, chains):
10961  """set_chains(Selection self, IMP::Strings chains)"""
10962  return _IMP_atom.Selection_set_chains(self, chains)
10963 
10964 
10965  def set_residue_indexes(self, indexes):
10966  """set_residue_indexes(Selection self, IMP::Ints indexes)"""
10967  return _IMP_atom.Selection_set_residue_indexes(self, indexes)
10968 
10969 
10970  def set_atom_types(self, types):
10971  """set_atom_types(Selection self, IMP::atom::AtomTypes types)"""
10972  return _IMP_atom.Selection_set_atom_types(self, types)
10973 
10974 
10975  def set_residue_types(self, types):
10976  """set_residue_types(Selection self, IMP::atom::ResidueTypes types)"""
10977  return _IMP_atom.Selection_set_residue_types(self, types)
10978 
10979 
10980  def set_domains(self, names):
10981  """set_domains(Selection self, IMP::Strings names)"""
10982  return _IMP_atom.Selection_set_domains(self, names)
10983 
10984 
10985  def set_molecule(self, mol):
10986  """set_molecule(Selection self, std::string mol)"""
10987  return _IMP_atom.Selection_set_molecule(self, mol)
10988 
10989 
10990  def set_chain_id(self, c):
10991  """set_chain_id(Selection self, std::string c)"""
10992  return _IMP_atom.Selection_set_chain_id(self, c)
10993 
10994 
10995  def set_chain(self, c):
10996  """set_chain(Selection self, std::string c)"""
10997  return _IMP_atom.Selection_set_chain(self, c)
10998 
10999 
11000  def set_residue_index(self, i):
11001  """set_residue_index(Selection self, int i)"""
11002  return _IMP_atom.Selection_set_residue_index(self, i)
11003 
11004 
11005  def set_atom_type(self, types):
11006  """set_atom_type(Selection self, AtomType types)"""
11007  return _IMP_atom.Selection_set_atom_type(self, types)
11008 
11009 
11010  def set_residue_type(self, type):
11011  """set_residue_type(Selection self, ResidueType type)"""
11012  return _IMP_atom.Selection_set_residue_type(self, type)
11013 
11014 
11015  def set_domain(self, name):
11016  """set_domain(Selection self, std::string name)"""
11017  return _IMP_atom.Selection_set_domain(self, name)
11018 
11019 
11020  def set_copy_index(self, copy):
11021  """set_copy_index(Selection self, unsigned int copy)"""
11022  return _IMP_atom.Selection_set_copy_index(self, copy)
11023 
11024 
11025  def set_copy_indexes(self, copies):
11026  """set_copy_indexes(Selection self, IMP::Ints copies)"""
11027  return _IMP_atom.Selection_set_copy_indexes(self, copies)
11028 
11029 
11030  def set_particle_type(self, t):
11031  """set_particle_type(Selection self, ParticleType t)"""
11032  return _IMP_atom.Selection_set_particle_type(self, t)
11033 
11034 
11035  def set_particle_types(self, t):
11036  """set_particle_types(Selection self, IMP::core::ParticleTypes t)"""
11037  return _IMP_atom.Selection_set_particle_types(self, t)
11038 
11039 
11040  def set_hierarchy_types(self, types):
11041  """set_hierarchy_types(Selection self, IMP::Ints types)"""
11042  return _IMP_atom.Selection_set_hierarchy_types(self, types)
11043 
11044 
11045  def set_intersection(self, s):
11046  """set_intersection(Selection self, Selection s)"""
11047  return _IMP_atom.Selection_set_intersection(self, s)
11048 
11049 
11050  def set_union(self, s):
11051  """set_union(Selection self, Selection s)"""
11052  return _IMP_atom.Selection_set_union(self, s)
11053 
11054 
11055  def set_symmetric_difference(self, s):
11056  """set_symmetric_difference(Selection self, Selection s)"""
11057  return _IMP_atom.Selection_set_symmetric_difference(self, s)
11058 
11059 
11060  def set_difference(self, s):
11061  """set_difference(Selection self, Selection s)"""
11062  return _IMP_atom.Selection_set_difference(self, s)
11063 
11064 
11065  def get_selected_particles(self, with_representation=True):
11066  """
11067  get_selected_particles(Selection self, bool with_representation=True) -> IMP::ParticlesTemp
11068  get_selected_particles(Selection self) -> IMP::ParticlesTemp
11069  """
11070  return _IMP_atom.Selection_get_selected_particles(self, with_representation)
11071 
11072 
11073  def get_selected_particle_indexes(self, with_representation=True):
11074  """
11075  get_selected_particle_indexes(Selection self, bool with_representation=True) -> IMP::ParticleIndexes
11076  get_selected_particle_indexes(Selection self) -> IMP::ParticleIndexes
11077  """
11078  return _IMP_atom.Selection_get_selected_particle_indexes(self, with_representation)
11079 
11080 
11081  def show(self, *args):
11082  """
11083  show(Selection self, _ostream out)
11084  show(Selection self)
11085  """
11086  return _IMP_atom.Selection_show(self, *args)
11087 
11088 
11089  def __str__(self):
11090  """__str__(Selection self) -> std::string"""
11091  return _IMP_atom.Selection___str__(self)
11092 
11093 
11094  def __repr__(self):
11095  """__repr__(Selection self) -> std::string"""
11096  return _IMP_atom.Selection___repr__(self)
11097 
11098 
11099  def __init__(self, hierarchy=None,
11100  hierarchies=None, **params):
11101  if hierarchy and hierarchies:
11102  raise RuntimeError("You can't pass both hierarchy and hierarchies to Selection")
11103  if hierarchy:
11104  this = _IMP_atom.new_Selection(hierarchy)
11105  try: self.this.append(this)
11106  except: self.this = this
11107  elif hierarchies:
11108  this = _IMP_atom.new_Selection(hierarchies)
11109  try: self.this.append(this)
11110  except: self.this = this
11111  else:
11112  raise ValueError("Either hierarchy or hierarchies must be provided.")
11113  for k in params.keys():
11114  eval("self.set_%s(params[k])"%k)
11115 
11116  def union(self, s):
11117  news = self.create_clone()
11118  news.union_update(s)
11119  return news
11120  def intersection(self, s):
11121  news = self.create_clone()
11122  news.intersection_update(s)
11123  return news
11124  def symmetric_difference(self, s):
11125  news = self.create_clone()
11126  news.symmetric_difference_update(s)
11127  return news
11128  def difference(self, s):
11129  news = self.create_clone()
11130  news.difference_update(s)
11131  return news
11132  def union_update(self, s):
11133  self.set_union(s)
11134  return self
11135  def intersection_update(self, s):
11136  self.set_intersection(s)
11137  return self
11138  def symmetric_difference_update(self, s):
11139  self.set_symmetric_difference(s)
11140  return self
11141  def difference_update(self, s):
11142  self.set_difference(s)
11143  return self
11144  __or__ = union
11145  __and__ = intersection
11146  __xor__ = symmetric_difference
11147  __sub__ = difference
11148  __ior__ = union_update
11149  __iand__ = intersection_update
11150  __ixor__ = symmetric_difference_update
11151  __isub__ = difference_update
11152 
11153  __swig_destroy__ = _IMP_atom.delete_Selection
11154  __del__ = lambda self: None
11155 Selection_swigregister = _IMP_atom.Selection_swigregister
11156 Selection_swigregister(Selection)
11157 
11158 
11159 def create_distance_restraint(*args):
11160  """
11161  create_distance_restraint(Selection n0, Selection n1, double x0, double k, std::string name) -> Restraint
11162  create_distance_restraint(Selection n0, Selection n1, double x0, double k) -> Restraint
11163  """
11164  return _IMP_atom.create_distance_restraint(*args)
11165 
11167  """
11168  create_connectivity_restraint(IMP::atom::Selections const & s, double k, std::string name) -> Restraint
11169  create_connectivity_restraint(IMP::atom::Selections const & s, double k) -> Restraint
11170  create_connectivity_restraint(IMP::atom::Selections const & s, double x0, double k, std::string name) -> Restraint
11171  create_connectivity_restraint(IMP::atom::Selections const & s, double x0, double k) -> Restraint
11172  """
11173  return _IMP_atom.create_connectivity_restraint(*args)
11174 
11176  """
11177  create_internal_connectivity_restraint(Selection s, double k, std::string name) -> Restraint
11178  create_internal_connectivity_restraint(Selection s, double k) -> Restraint
11179  create_internal_connectivity_restraint(Selection s, double x0, double k, std::string name) -> Restraint
11180  create_internal_connectivity_restraint(Selection s, double x0, double k) -> Restraint
11181  """
11182  return _IMP_atom.create_internal_connectivity_restraint(*args)
11183 
11184 def create_cover(*args):
11185  """
11186  create_cover(Selection s, std::string name) -> XYZR
11187  create_cover(Selection s) -> XYZR
11188  """
11189  return _IMP_atom.create_cover(*args)
11190 
11191 def get_mass(*args):
11192  """
11193  get_mass(ResidueType c) -> double
11194  get_mass(Selection s) -> double
11195  """
11196  return _IMP_atom.get_mass(*args)
11197 
11198 def get_volume(s):
11199  """get_volume(Selection s) -> double"""
11200  return _IMP_atom.get_volume(s)
11201 
11202 def get_surface_area(s):
11203  """get_surface_area(Selection s) -> double"""
11204  return _IMP_atom.get_surface_area(s)
11205 
11206 def get_leaves(*args):
11207  """
11208  get_leaves(Hierarchy h) -> IMP::atom::Hierarchies
11209  get_leaves(IMP::atom::Hierarchies const & h) -> IMP::atom::Hierarchies
11210  get_leaves(Selection h) -> IMP::atom::Hierarchies
11211  """
11212  return _IMP_atom.get_leaves(*args)
11213 class SelectionGeometry(IMP.display.Geometry):
11214  """Proxy of C++ IMP::atom::SelectionGeometry class"""
11215  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11216 
11217  def __init__(self, *args):
11218  """
11219  __init__(IMP::atom::SelectionGeometry self, Selection d, std::string name) -> SelectionGeometry
11220  __init__(IMP::atom::SelectionGeometry self, Selection d) -> SelectionGeometry
11221  """
11222  this = _IMP_atom.new_SelectionGeometry(*args)
11223  try:
11224  self.this.append(this)
11225  except:
11226  self.this = this
11227 
11228  def get_version_info(self):
11229  """get_version_info(SelectionGeometry self) -> VersionInfo"""
11230  return _IMP_atom.SelectionGeometry_get_version_info(self)
11231 
11232 
11233  def __str__(self):
11234  """__str__(SelectionGeometry self) -> std::string"""
11235  return _IMP_atom.SelectionGeometry___str__(self)
11236 
11237 
11238  def __repr__(self):
11239  """__repr__(SelectionGeometry self) -> std::string"""
11240  return _IMP_atom.SelectionGeometry___repr__(self)
11241 
11242 
11243  @staticmethod
11244  def get_from(o):
11245  return _object_cast_to_SelectionGeometry(o)
11246 
11247 SelectionGeometry_swigregister = _IMP_atom.SelectionGeometry_swigregister
11248 SelectionGeometry_swigregister(SelectionGeometry)
11249 
11250 
11251 def get_rmsd(*args):
11252  """
11253  get_rmsd(IMP::core::XYZs const & s0, IMP::core::XYZs const & s1) -> double
11254  get_rmsd(Selection s0, Selection s1) -> double
11255  """
11256  return _IMP_atom.get_rmsd(*args)
11257 
11258 def get_rmsd_transforming_first(*args):
11259  """
11260  get_rmsd_transforming_first(Transformation3D tr, IMP::core::XYZs const & s0, IMP::core::XYZs const & s1) -> double
11261  get_rmsd_transforming_first(Transformation3D tr, Selection s0, Selection s1) -> double
11262  """
11263  return _IMP_atom.get_rmsd_transforming_first(*args)
11264 
11265 def get_placement_score(source, target):
11266  """get_placement_score(IMP::core::XYZs const & source, IMP::core::XYZs const & target) -> IMP::FloatPair"""
11267  return _IMP_atom.get_placement_score(source, target)
11268 
11269 def get_component_placement_score(ref1, ref2, mdl1, mdl2):
11270  """get_component_placement_score(IMP::core::XYZs const & ref1, IMP::core::XYZs const & ref2, IMP::core::XYZs const & mdl1, IMP::core::XYZs const & mdl2) -> IMP::FloatPair"""
11271  return _IMP_atom.get_component_placement_score(ref1, ref2, mdl1, mdl2)
11272 
11273 def get_pairwise_rmsd_score(ref1, ref2, mdl1, mdl2):
11274  """get_pairwise_rmsd_score(IMP::core::XYZs const & ref1, IMP::core::XYZs const & ref2, IMP::core::XYZs const & mdl1, IMP::core::XYZs const & mdl2) -> double"""
11275  return _IMP_atom.get_pairwise_rmsd_score(ref1, ref2, mdl1, mdl2)
11276 
11277 def get_radius_of_gyration(*args):
11278  """
11279  get_radius_of_gyration(Selection s) -> double
11280  get_radius_of_gyration(IMP::ParticlesTemp const & ps, bool weighted=True) -> double
11281  get_radius_of_gyration(IMP::ParticlesTemp const & ps) -> double
11282  """
11283  return _IMP_atom.get_radius_of_gyration(*args)
11284 class ForceFieldParameters(IMP.Object):
11285  """Proxy of C++ IMP::atom::ForceFieldParameters class"""
11286  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11287 
11288  def __init__(self):
11289  """__init__(IMP::atom::ForceFieldParameters self) -> ForceFieldParameters"""
11290  this = _IMP_atom.new_ForceFieldParameters()
11291  try:
11292  self.this.append(this)
11293  except:
11294  self.this = this
11295 
11296  def get_radius(self, atom):
11297  """get_radius(ForceFieldParameters self, Atom atom) -> IMP::Float"""
11298  return _IMP_atom.ForceFieldParameters_get_radius(self, atom)
11299 
11300 
11301  def get_epsilon(self, atom):
11302  """get_epsilon(ForceFieldParameters self, Atom atom) -> IMP::Float"""
11303  return _IMP_atom.ForceFieldParameters_get_epsilon(self, atom)
11304 
11305 
11306  def add_radii(self, *args):
11307  """
11308  add_radii(ForceFieldParameters self, Hierarchy mhd, double scale=1.0, FloatKey radius_key)
11309  add_radii(ForceFieldParameters self, Hierarchy mhd, double scale=1.0)
11310  add_radii(ForceFieldParameters self, Hierarchy mhd)
11311  """
11312  return _IMP_atom.ForceFieldParameters_add_radii(self, *args)
11313 
11314 
11315  def add_well_depths(self, mhd):
11316  """add_well_depths(ForceFieldParameters self, Hierarchy mhd)"""
11317  return _IMP_atom.ForceFieldParameters_add_well_depths(self, mhd)
11318 
11319 
11320  def add_bonds(self, mhd):
11321  """add_bonds(ForceFieldParameters self, Hierarchy mhd)"""
11322  return _IMP_atom.ForceFieldParameters_add_bonds(self, mhd)
11323 
11324  __swig_destroy__ = _IMP_atom.delete_ForceFieldParameters
11325  __del__ = lambda self: None
11326 
11327  def __str__(self):
11328  """__str__(ForceFieldParameters self) -> std::string"""
11329  return _IMP_atom.ForceFieldParameters___str__(self)
11330 
11331 
11332  def __repr__(self):
11333  """__repr__(ForceFieldParameters self) -> std::string"""
11334  return _IMP_atom.ForceFieldParameters___repr__(self)
11335 
11336 
11337  @staticmethod
11338  def get_from(o):
11339  return _object_cast_to_ForceFieldParameters(o)
11340 
11341 ForceFieldParameters_swigregister = _IMP_atom.ForceFieldParameters_swigregister
11342 ForceFieldParameters_swigregister(ForceFieldParameters)
11343 
11344 class CHARMMAtomTopology(object):
11345  """Proxy of C++ IMP::atom::CHARMMAtomTopology class"""
11346  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11347 
11348  def __init__(self, *args):
11349  """
11350  __init__(IMP::atom::CHARMMAtomTopology self, std::string name) -> CHARMMAtomTopology
11351  __init__(IMP::atom::CHARMMAtomTopology self, std::string name, CHARMMAtomTopology other) -> CHARMMAtomTopology
11352  """
11353  this = _IMP_atom.new_CHARMMAtomTopology(*args)
11354  try:
11355  self.this.append(this)
11356  except:
11357  self.this = this
11358 
11359  def get_name(self):
11360  """get_name(CHARMMAtomTopology self) -> std::string"""
11361  return _IMP_atom.CHARMMAtomTopology_get_name(self)
11362 
11363 
11364  def get_charmm_type(self):
11365  """get_charmm_type(CHARMMAtomTopology self) -> std::string"""
11366  return _IMP_atom.CHARMMAtomTopology_get_charmm_type(self)
11367 
11368 
11369  def get_charge(self):
11370  """get_charge(CHARMMAtomTopology self) -> double"""
11371  return _IMP_atom.CHARMMAtomTopology_get_charge(self)
11372 
11373 
11374  def set_charmm_type(self, charmm_type):
11375  """set_charmm_type(CHARMMAtomTopology self, std::string charmm_type)"""
11376  return _IMP_atom.CHARMMAtomTopology_set_charmm_type(self, charmm_type)
11377 
11378 
11379  def set_charge(self, charge):
11380  """set_charge(CHARMMAtomTopology self, double charge)"""
11381  return _IMP_atom.CHARMMAtomTopology_set_charge(self, charge)
11382 
11383 
11384  def show(self, *args):
11385  """
11386  show(CHARMMAtomTopology self, _ostream out)
11387  show(CHARMMAtomTopology self)
11388  """
11389  return _IMP_atom.CHARMMAtomTopology_show(self, *args)
11390 
11391 
11392  def __str__(self):
11393  """__str__(CHARMMAtomTopology self) -> std::string"""
11394  return _IMP_atom.CHARMMAtomTopology___str__(self)
11395 
11396 
11397  def __repr__(self):
11398  """__repr__(CHARMMAtomTopology self) -> std::string"""
11399  return _IMP_atom.CHARMMAtomTopology___repr__(self)
11400 
11401  __swig_destroy__ = _IMP_atom.delete_CHARMMAtomTopology
11402  __del__ = lambda self: None
11403 CHARMMAtomTopology_swigregister = _IMP_atom.CHARMMAtomTopology_swigregister
11404 CHARMMAtomTopology_swigregister(CHARMMAtomTopology)
11405 
11406 class CHARMMBondEndpoint(object):
11407  """Proxy of C++ IMP::atom::CHARMMBondEndpoint class"""
11408  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11409 
11410  def __init__(self, atom_name, residue=None):
11411  """
11412  __init__(IMP::atom::CHARMMBondEndpoint self, std::string atom_name, CHARMMResidueTopology residue=None) -> CHARMMBondEndpoint
11413  __init__(IMP::atom::CHARMMBondEndpoint self, std::string atom_name) -> CHARMMBondEndpoint
11414  """
11415  this = _IMP_atom.new_CHARMMBondEndpoint(atom_name, residue)
11416  try:
11417  self.this.append(this)
11418  except:
11419  self.this = this
11420 
11421  def get_atom_name(self):
11422  """get_atom_name(CHARMMBondEndpoint self) -> std::string"""
11423  return _IMP_atom.CHARMMBondEndpoint_get_atom_name(self)
11424 
11425 
11426  def get_atom(self, current_residue, previous_residue, next_residue, resmap):
11427  """get_atom(CHARMMBondEndpoint self, CHARMMResidueTopology current_residue, CHARMMResidueTopology previous_residue, CHARMMResidueTopology next_residue, std::map< IMP::atom::CHARMMResidueTopology const *,IMP::atom::Hierarchy > const & resmap) -> Atom"""
11428  return _IMP_atom.CHARMMBondEndpoint_get_atom(self, current_residue, previous_residue, next_residue, resmap)
11429 
11430 
11431  def show(self, *args):
11432  """
11433  show(CHARMMBondEndpoint self, _ostream out)
11434  show(CHARMMBondEndpoint self)
11435  """
11436  return _IMP_atom.CHARMMBondEndpoint_show(self, *args)
11437 
11438 
11439  def __str__(self):
11440  """__str__(CHARMMBondEndpoint self) -> std::string"""
11441  return _IMP_atom.CHARMMBondEndpoint___str__(self)
11442 
11443 
11444  def __repr__(self):
11445  """__repr__(CHARMMBondEndpoint self) -> std::string"""
11446  return _IMP_atom.CHARMMBondEndpoint___repr__(self)
11447 
11448  __swig_destroy__ = _IMP_atom.delete_CHARMMBondEndpoint
11449  __del__ = lambda self: None
11450 CHARMMBondEndpoint_swigregister = _IMP_atom.CHARMMBondEndpoint_swigregister
11451 CHARMMBondEndpoint_swigregister(CHARMMBondEndpoint)
11452 
11453 class CHARMMDihedral(object):
11454  """Proxy of C++ IMP::atom::CHARMMConnection<(4)> class"""
11455  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11456  __repr__ = _swig_repr
11457 
11458  def __init__(self, atoms):
11459  """__init__(IMP::atom::CHARMMConnection<(4)> self, IMP::Strings const & atoms) -> CHARMMDihedral"""
11460  this = _IMP_atom.new_CHARMMDihedral(atoms)
11461  try:
11462  self.this.append(this)
11463  except:
11464  self.this = this
11465 
11466  def get_endpoint(self, i):
11467  """get_endpoint(CHARMMDihedral self, unsigned int i) -> CHARMMBondEndpoint"""
11468  return _IMP_atom.CHARMMDihedral_get_endpoint(self, i)
11469 
11470 
11471  def get_contains_atom(self, name):
11472  """get_contains_atom(CHARMMDihedral self, std::string name) -> bool"""
11473  return _IMP_atom.CHARMMDihedral_get_contains_atom(self, name)
11474 
11475 
11476  def show(self, *args):
11477  """
11478  show(CHARMMDihedral self, _ostream out)
11479  show(CHARMMDihedral self)
11480  """
11481  return _IMP_atom.CHARMMDihedral_show(self, *args)
11482 
11483  __swig_destroy__ = _IMP_atom.delete_CHARMMDihedral
11484  __del__ = lambda self: None
11485 CHARMMDihedral_swigregister = _IMP_atom.CHARMMDihedral_swigregister
11486 CHARMMDihedral_swigregister(CHARMMDihedral)
11487 
11488 class CHARMMInternalCoordinate(CHARMMDihedral):
11489  """Proxy of C++ IMP::atom::CHARMMInternalCoordinate class"""
11490  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11491 
11492  def __init__(self, *args):
11493  """
11494  __init__(IMP::atom::CHARMMInternalCoordinate self, IMP::Strings const & atoms, float first_distance, float first_angle, float dihedral, float second_angle, float second_distance, bool improper) -> CHARMMInternalCoordinate
11495  __init__(IMP::atom::CHARMMInternalCoordinate self, IMP::Vector< IMP::atom::CHARMMBondEndpoint > const endpoints, float first_distance, float first_angle, float dihedral, float second_angle, float second_distance, bool improper) -> CHARMMInternalCoordinate
11496  """
11497  this = _IMP_atom.new_CHARMMInternalCoordinate(*args)
11498  try:
11499  self.this.append(this)
11500  except:
11501  self.this = this
11502 
11503  def get_first_distance(self):
11504  """get_first_distance(CHARMMInternalCoordinate self) -> float"""
11505  return _IMP_atom.CHARMMInternalCoordinate_get_first_distance(self)
11506 
11507 
11508  def get_second_distance(self):
11509  """get_second_distance(CHARMMInternalCoordinate self) -> float"""
11510  return _IMP_atom.CHARMMInternalCoordinate_get_second_distance(self)
11511 
11512 
11513  def get_first_angle(self):
11514  """get_first_angle(CHARMMInternalCoordinate self) -> float"""
11515  return _IMP_atom.CHARMMInternalCoordinate_get_first_angle(self)
11516 
11517 
11518  def get_second_angle(self):
11519  """get_second_angle(CHARMMInternalCoordinate self) -> float"""
11520  return _IMP_atom.CHARMMInternalCoordinate_get_second_angle(self)
11521 
11522 
11523  def get_dihedral(self):
11524  """get_dihedral(CHARMMInternalCoordinate self) -> float"""
11525  return _IMP_atom.CHARMMInternalCoordinate_get_dihedral(self)
11526 
11527 
11528  def get_improper(self):
11529  """get_improper(CHARMMInternalCoordinate self) -> bool"""
11530  return _IMP_atom.CHARMMInternalCoordinate_get_improper(self)
11531 
11532 
11533  def show(self, *args):
11534  """
11535  show(CHARMMInternalCoordinate self, _ostream out)
11536  show(CHARMMInternalCoordinate self)
11537  """
11538  return _IMP_atom.CHARMMInternalCoordinate_show(self, *args)
11539 
11540 
11541  def __str__(self):
11542  """__str__(CHARMMInternalCoordinate self) -> std::string"""
11543  return _IMP_atom.CHARMMInternalCoordinate___str__(self)
11544 
11545 
11546  def __repr__(self):
11547  """__repr__(CHARMMInternalCoordinate self) -> std::string"""
11548  return _IMP_atom.CHARMMInternalCoordinate___repr__(self)
11549 
11550  __swig_destroy__ = _IMP_atom.delete_CHARMMInternalCoordinate
11551  __del__ = lambda self: None
11552 CHARMMInternalCoordinate_swigregister = _IMP_atom.CHARMMInternalCoordinate_swigregister
11553 CHARMMInternalCoordinate_swigregister(CHARMMInternalCoordinate)
11554 
11555 class CHARMMResidueTopologyBase(IMP.Object):
11556  """Proxy of C++ IMP::atom::CHARMMResidueTopologyBase class"""
11557  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11558 
11559  def __init__(self, *args, **kwargs):
11560  raise AttributeError("No constructor defined")
11561 
11562  def get_type(self):
11563  """get_type(CHARMMResidueTopologyBase self) -> std::string"""
11564  return _IMP_atom.CHARMMResidueTopologyBase_get_type(self)
11565 
11566 
11567  def get_number_of_atoms(self):
11568  """get_number_of_atoms(CHARMMResidueTopologyBase self) -> unsigned int"""
11569  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_atoms(self)
11570 
11571 
11572  def add_atom(self, atom):
11573  """add_atom(CHARMMResidueTopologyBase self, CHARMMAtomTopology atom)"""
11574  return _IMP_atom.CHARMMResidueTopologyBase_add_atom(self, atom)
11575 
11576 
11577  def get_atom(self, *args):
11578  """
11579  get_atom(CHARMMResidueTopologyBase self, unsigned int i) -> CHARMMAtomTopology
11580  get_atom(CHARMMResidueTopologyBase self, AtomType type) -> CHARMMAtomTopology
11581  get_atom(CHARMMResidueTopologyBase self, std::string name) -> CHARMMAtomTopology
11582  """
11583  return _IMP_atom.CHARMMResidueTopologyBase_get_atom(self, *args)
11584 
11585 
11586  def get_number_of_bonds(self):
11587  """get_number_of_bonds(CHARMMResidueTopologyBase self) -> unsigned int"""
11588  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_bonds(self)
11589 
11590 
11591  def add_bond(self, bond):
11592  """add_bond(CHARMMResidueTopologyBase self, CHARMMBond bond)"""
11593  return _IMP_atom.CHARMMResidueTopologyBase_add_bond(self, bond)
11594 
11595 
11596  def get_number_of_angles(self):
11597  """get_number_of_angles(CHARMMResidueTopologyBase self) -> unsigned int"""
11598  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_angles(self)
11599 
11600 
11601  def add_angle(self, bond):
11602  """add_angle(CHARMMResidueTopologyBase self, CHARMMAngle bond)"""
11603  return _IMP_atom.CHARMMResidueTopologyBase_add_angle(self, bond)
11604 
11605 
11606  def get_number_of_dihedrals(self):
11607  """get_number_of_dihedrals(CHARMMResidueTopologyBase self) -> unsigned int"""
11608  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_dihedrals(self)
11609 
11610 
11611  def add_dihedral(self, bond):
11612  """add_dihedral(CHARMMResidueTopologyBase self, CHARMMDihedral bond)"""
11613  return _IMP_atom.CHARMMResidueTopologyBase_add_dihedral(self, bond)
11614 
11615 
11616  def get_number_of_impropers(self):
11617  """get_number_of_impropers(CHARMMResidueTopologyBase self) -> unsigned int"""
11618  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_impropers(self)
11619 
11620 
11621  def add_improper(self, bond):
11622  """add_improper(CHARMMResidueTopologyBase self, CHARMMDihedral bond)"""
11623  return _IMP_atom.CHARMMResidueTopologyBase_add_improper(self, bond)
11624 
11625 
11626  def get_number_of_internal_coordinates(self):
11627  """get_number_of_internal_coordinates(CHARMMResidueTopologyBase self) -> unsigned int"""
11628  return _IMP_atom.CHARMMResidueTopologyBase_get_number_of_internal_coordinates(self)
11629 
11630 
11631  def add_internal_coordinate(self, ic):
11632  """add_internal_coordinate(CHARMMResidueTopologyBase self, CHARMMInternalCoordinate ic)"""
11633  return _IMP_atom.CHARMMResidueTopologyBase_add_internal_coordinate(self, ic)
11634 
11635 
11636  def get_internal_coordinate(self, index):
11637  """get_internal_coordinate(CHARMMResidueTopologyBase self, unsigned int index) -> CHARMMInternalCoordinate"""
11638  return _IMP_atom.CHARMMResidueTopologyBase_get_internal_coordinate(self, index)
11639 
11640 
11641  def get_bond(self, index):
11642  """get_bond(CHARMMResidueTopologyBase self, unsigned int index) -> CHARMMBond"""
11643  return _IMP_atom.CHARMMResidueTopologyBase_get_bond(self, index)
11644 
11645 
11646  def get_angle(self, index):
11647  """get_angle(CHARMMResidueTopologyBase self, unsigned int index) -> CHARMMAngle"""
11648  return _IMP_atom.CHARMMResidueTopologyBase_get_angle(self, index)
11649 
11650 
11651  def get_dihedral(self, index):
11652  """get_dihedral(CHARMMResidueTopologyBase self, unsigned int index) -> CHARMMDihedral"""
11653  return _IMP_atom.CHARMMResidueTopologyBase_get_dihedral(self, index)
11654 
11655 
11656  def get_improper(self, index):
11657  """get_improper(CHARMMResidueTopologyBase self, unsigned int index) -> CHARMMDihedral"""
11658  return _IMP_atom.CHARMMResidueTopologyBase_get_improper(self, index)
11659 
11660 
11661  def get_version_info(self):
11662  """get_version_info(CHARMMResidueTopologyBase self) -> VersionInfo"""
11663  return _IMP_atom.CHARMMResidueTopologyBase_get_version_info(self)
11664 
11665 
11666  def __str__(self):
11667  """__str__(CHARMMResidueTopologyBase self) -> std::string"""
11668  return _IMP_atom.CHARMMResidueTopologyBase___str__(self)
11669 
11670 
11671  def __repr__(self):
11672  """__repr__(CHARMMResidueTopologyBase self) -> std::string"""
11673  return _IMP_atom.CHARMMResidueTopologyBase___repr__(self)
11674 
11675 
11676  @staticmethod
11677  def get_from(o):
11678  return _object_cast_to_CHARMMResidueTopologyBase(o)
11679 
11680 CHARMMResidueTopologyBase_swigregister = _IMP_atom.CHARMMResidueTopologyBase_swigregister
11681 CHARMMResidueTopologyBase_swigregister(CHARMMResidueTopologyBase)
11682 
11683 class CHARMMIdealResidueTopology(CHARMMResidueTopologyBase):
11684  """Proxy of C++ IMP::atom::CHARMMIdealResidueTopology class"""
11685  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11686 
11687  def __init__(self, *args):
11688  """
11689  __init__(IMP::atom::CHARMMIdealResidueTopology self, std::string type) -> CHARMMIdealResidueTopology
11690  __init__(IMP::atom::CHARMMIdealResidueTopology self, ResidueType type) -> CHARMMIdealResidueTopology
11691  """
11692  this = _IMP_atom.new_CHARMMIdealResidueTopology(*args)
11693  try:
11694  self.this.append(this)
11695  except:
11696  self.this = this
11697 
11698  def remove_atom(self, name):
11699  """remove_atom(CHARMMIdealResidueTopology self, std::string name)"""
11700  return _IMP_atom.CHARMMIdealResidueTopology_remove_atom(self, name)
11701 
11702 
11703  def set_default_first_patch(self, patch):
11704  """set_default_first_patch(CHARMMIdealResidueTopology self, std::string patch)"""
11705  return _IMP_atom.CHARMMIdealResidueTopology_set_default_first_patch(self, patch)
11706 
11707 
11708  def set_default_last_patch(self, patch):
11709  """set_default_last_patch(CHARMMIdealResidueTopology self, std::string patch)"""
11710  return _IMP_atom.CHARMMIdealResidueTopology_set_default_last_patch(self, patch)
11711 
11712 
11713  def get_default_first_patch(self):
11714  """get_default_first_patch(CHARMMIdealResidueTopology self) -> std::string"""
11715  return _IMP_atom.CHARMMIdealResidueTopology_get_default_first_patch(self)
11716 
11717 
11718  def get_default_last_patch(self):
11719  """get_default_last_patch(CHARMMIdealResidueTopology self) -> std::string"""
11720  return _IMP_atom.CHARMMIdealResidueTopology_get_default_last_patch(self)
11721 
11722 
11723  def __str__(self):
11724  """__str__(CHARMMIdealResidueTopology self) -> std::string"""
11725  return _IMP_atom.CHARMMIdealResidueTopology___str__(self)
11726 
11727 
11728  def __repr__(self):
11729  """__repr__(CHARMMIdealResidueTopology self) -> std::string"""
11730  return _IMP_atom.CHARMMIdealResidueTopology___repr__(self)
11731 
11732 
11733  @staticmethod
11734  def get_from(o):
11735  return _object_cast_to_CHARMMIdealResidueTopology(o)
11736 
11737 CHARMMIdealResidueTopology_swigregister = _IMP_atom.CHARMMIdealResidueTopology_swigregister
11738 CHARMMIdealResidueTopology_swigregister(CHARMMIdealResidueTopology)
11739 
11740 class CHARMMPatch(CHARMMResidueTopologyBase):
11741  """Proxy of C++ IMP::atom::CHARMMPatch class"""
11742  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11743 
11744  def __init__(self, type):
11745  """__init__(IMP::atom::CHARMMPatch self, std::string type) -> CHARMMPatch"""
11746  this = _IMP_atom.new_CHARMMPatch(type)
11747  try:
11748  self.this.append(this)
11749  except:
11750  self.this = this
11751 
11752  def add_removed_atom(self, name):
11753  """add_removed_atom(CHARMMPatch self, std::string name)"""
11754  return _IMP_atom.CHARMMPatch_add_removed_atom(self, name)
11755 
11756 
11757  def get_number_of_removed_atoms(self):
11758  """get_number_of_removed_atoms(CHARMMPatch self) -> unsigned int"""
11759  return _IMP_atom.CHARMMPatch_get_number_of_removed_atoms(self)
11760 
11761 
11762  def get_removed_atom(self, i):
11763  """get_removed_atom(CHARMMPatch self, unsigned int i) -> std::string"""
11764  return _IMP_atom.CHARMMPatch_get_removed_atom(self, i)
11765 
11766 
11767  def apply(self, *args):
11768  """
11769  apply(CHARMMPatch self, CHARMMResidueTopology res)
11770  apply(CHARMMPatch self, CHARMMResidueTopology res1, CHARMMResidueTopology res2)
11771  """
11772  return _IMP_atom.CHARMMPatch_apply(self, *args)
11773 
11774 
11775  def __str__(self):
11776  """__str__(CHARMMPatch self) -> std::string"""
11777  return _IMP_atom.CHARMMPatch___str__(self)
11778 
11779 
11780  def __repr__(self):
11781  """__repr__(CHARMMPatch self) -> std::string"""
11782  return _IMP_atom.CHARMMPatch___repr__(self)
11783 
11784 
11785  @staticmethod
11786  def get_from(o):
11787  return _object_cast_to_CHARMMPatch(o)
11788 
11789 CHARMMPatch_swigregister = _IMP_atom.CHARMMPatch_swigregister
11790 CHARMMPatch_swigregister(CHARMMPatch)
11791 
11792 class CHARMMResidueTopology(CHARMMIdealResidueTopology):
11793  """Proxy of C++ IMP::atom::CHARMMResidueTopology class"""
11794  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11795 
11796  def __init__(self, *args):
11797  """
11798  __init__(IMP::atom::CHARMMResidueTopology self, ResidueType type) -> CHARMMResidueTopology
11799  __init__(IMP::atom::CHARMMResidueTopology self, CHARMMIdealResidueTopology ideal) -> CHARMMResidueTopology
11800  """
11801  this = _IMP_atom.new_CHARMMResidueTopology(*args)
11802  try:
11803  self.this.append(this)
11804  except:
11805  self.this = this
11806 
11807  def get_patched(self):
11808  """get_patched(CHARMMResidueTopology self) -> bool"""
11809  return _IMP_atom.CHARMMResidueTopology_get_patched(self)
11810 
11811 
11812  def set_patched(self, patched):
11813  """set_patched(CHARMMResidueTopology self, bool patched)"""
11814  return _IMP_atom.CHARMMResidueTopology_set_patched(self, patched)
11815 
11816 
11817  def __str__(self):
11818  """__str__(CHARMMResidueTopology self) -> std::string"""
11819  return _IMP_atom.CHARMMResidueTopology___str__(self)
11820 
11821 
11822  def __repr__(self):
11823  """__repr__(CHARMMResidueTopology self) -> std::string"""
11824  return _IMP_atom.CHARMMResidueTopology___repr__(self)
11825 
11826 
11827  @staticmethod
11828  def get_from(o):
11829  return _object_cast_to_CHARMMResidueTopology(o)
11830 
11831 CHARMMResidueTopology_swigregister = _IMP_atom.CHARMMResidueTopology_swigregister
11832 CHARMMResidueTopology_swigregister(CHARMMResidueTopology)
11833 
11834 class CHARMMAtom(Atom):
11835  """Proxy of C++ IMP::atom::CHARMMAtom class"""
11836  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
11837 
11838  def __init__(self, *args):
11839  """
11840  __init__(IMP::atom::CHARMMAtom self) -> CHARMMAtom
11841  __init__(IMP::atom::CHARMMAtom self, Model m, ParticleIndex id) -> CHARMMAtom
11842  __init__(IMP::atom::CHARMMAtom self, _ParticleAdaptor d) -> CHARMMAtom
11843  """
11844  this = _IMP_atom.new_CHARMMAtom(*args)
11845  try:
11846  self.this.append(this)
11847  except:
11848  self.this = this
11849 
11850  def show(self, *args):
11851  """
11852  show(CHARMMAtom self, _ostream out)
11853  show(CHARMMAtom self)
11854  """
11855  return _IMP_atom.CHARMMAtom_show(self, *args)
11856 
11857 
11858  def setup_particle(*args):
11859  """
11860  setup_particle(Model m, ParticleIndex pi, IMP::String charmm_type) -> CHARMMAtom
11861  setup_particle(_ParticleAdaptor decorator, IMP::String charmm_type) -> CHARMMAtom
11862  """
11863  return _IMP_atom.CHARMMAtom_setup_particle(*args)
11864 
11865  setup_particle = staticmethod(setup_particle)
11866 
11867  def get_charmm_type(self):
11868  """get_charmm_type(CHARMMAtom self) -> IMP::String"""
11869  return _IMP_atom.CHARMMAtom_get_charmm_type(self)
11870 
11871 
11872  def set_charmm_type(self, t):
11873  """set_charmm_type(CHARMMAtom self, IMP::String t)"""
11874  return _IMP_atom.CHARMMAtom_set_charmm_type(self, t)
11875 
11876 
11877  def get_is_setup(*args):
11878  """
11879  get_is_setup(_ParticleAdaptor p) -> bool
11880  get_is_setup(Model m, ParticleIndex pi) -> bool
11881  """
11882  return _IMP_atom.CHARMMAtom_get_is_setup(*args)
11883 
11884  get_is_setup = staticmethod(get_is_setup)
11885 
11886  def get_charmm_type_key():
11887  """get_charmm_type_key() -> StringKey"""
11888  return _IMP_atom.CHARMMAtom_get_charmm_type_key()
11889 
11890  get_charmm_type_key = staticmethod(get_charmm_type_key)
11891 
11892  def add_attribute(self, *args):
11893  """
11894  add_attribute(CHARMMAtom self, FloatKey k, IMP::Float v, bool opt)
11895  add_attribute(CHARMMAtom self, FloatKey a0, IMP::Float a1)
11896  add_attribute(CHARMMAtom self, IntKey a0, IMP::Int a1)
11897  add_attribute(CHARMMAtom self, FloatsKey a0, IMP::Floats a1)
11898  add_attribute(CHARMMAtom self, IntsKey a0, IMP::Ints a1)
11899  add_attribute(CHARMMAtom self, StringKey a0, IMP::String a1)
11900  add_attribute(CHARMMAtom self, ParticleIndexKey a0, Particle a1)
11901  add_attribute(CHARMMAtom self, ObjectKey a0, Object a1)
11902  """
11903  return _IMP_atom.CHARMMAtom_add_attribute(self, *args)
11904 
11905 
11906  def get_value(self, *args):
11907  """
11908  get_value(CHARMMAtom self, FloatKey a0) -> IMP::Float
11909  get_value(CHARMMAtom self, IntKey a0) -> IMP::Int
11910  get_value(CHARMMAtom self, FloatsKey a0) -> IMP::Floats
11911  get_value(CHARMMAtom self, IntsKey a0) -> IMP::Ints
11912  get_value(CHARMMAtom self, StringKey a0) -> IMP::String
11913  get_value(CHARMMAtom self, ParticleIndexKey a0) -> Particle
11914  get_value(CHARMMAtom self, ObjectKey a0) -> Object
11915  """
11916  return _IMP_atom.CHARMMAtom_get_value(self, *args)
11917 
11918 
11919  def set_value(self, *args):
11920  """
11921  set_value(CHARMMAtom self, FloatKey a0, IMP::Float a1)
11922  set_value(CHARMMAtom self, IntKey a0, IMP::Int a1)
11923  set_value(CHARMMAtom self, FloatsKey a0, IMP::Floats a1)
11924  set_value(CHARMMAtom self, IntsKey a0, IMP::Ints a1)
11925  set_value(CHARMMAtom self, StringKey a0, IMP::String a1)
11926  set_value(CHARMMAtom self, ParticleIndexKey a0, Particle a1)
11927  set_value(CHARMMAtom self, ObjectKey a0, Object a1)
11928  """
11929  return _IMP_atom.CHARMMAtom_set_value(self, *args)
11930 
11931 
11932  def remove_attribute(self, *args):
11933  """
11934  remove_attribute(CHARMMAtom self, FloatKey a0)
11935  remove_attribute(CHARMMAtom self, IntKey a0)
11936  remove_attribute(CHARMMAtom self, FloatsKey a0)
11937  remove_attribute(CHARMMAtom self, IntsKey a0)
11938  remove_attribute(CHARMMAtom self, StringKey a0)
11939  remove_attribute(CHARMMAtom self, ParticleIndexKey a0)
11940  remove_attribute(CHARMMAtom self, ObjectKey a0)
11941  """
11942  return _IMP_atom.CHARMMAtom_remove_attribute(self, *args)
11943 
11944 
11945  def has_attribute(self, *args):
11946  """
11947  has_attribute(CHARMMAtom self, FloatKey a0) -> bool
11948  has_attribute(CHARMMAtom self, IntKey a0) -> bool
11949  has_attribute(CHARMMAtom self, FloatsKey a0) -> bool
11950  has_attribute(CHARMMAtom self, IntsKey a0) -> bool
11951  has_attribute(CHARMMAtom self, StringKey a0) -> bool
11952  has_attribute(CHARMMAtom self, ParticleIndexKey a0) -> bool
11953  has_attribute(CHARMMAtom self, ObjectKey a0) -> bool
11954  """
11955  return _IMP_atom.CHARMMAtom_has_attribute(self, *args)
11956 
11957 
11958  def get_derivative(self, a0):
11959  """get_derivative(CHARMMAtom self, FloatKey a0) -> double"""
11960  return _IMP_atom.CHARMMAtom_get_derivative(self, a0)
11961 
11962 
11963  def get_name(self):
11964  """get_name(CHARMMAtom self) -> std::string"""
11965  return _IMP_atom.CHARMMAtom_get_name(self)
11966 
11967 
11968  def clear_caches(self):
11969  """clear_caches(CHARMMAtom self)"""
11970  return _IMP_atom.CHARMMAtom_clear_caches(self)
11971 
11972 
11973  def set_name(self, a0):
11974  """set_name(CHARMMAtom self, std::string a0)"""
11975  return _IMP_atom.CHARMMAtom_set_name(self, a0)
11976 
11977 
11978  def set_check_level(self, a0):
11979  """set_check_level(CHARMMAtom self, IMP::CheckLevel a0)"""
11980  return _IMP_atom.CHARMMAtom_set_check_level(self, a0)
11981 
11982 
11983  def add_to_derivative(self, a0, a1, a2):
11984  """add_to_derivative(CHARMMAtom self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
11985  return _IMP_atom.CHARMMAtom_add_to_derivative(self, a0, a1, a2)
11986 
11987 
11988  def set_is_optimized(self, a0, a1):
11989  """set_is_optimized(CHARMMAtom self, FloatKey a0, bool a1)"""
11990  return _IMP_atom.CHARMMAtom_set_is_optimized(self, a0, a1)
11991 
11992 
11993  def get_is_optimized(self, a0):
11994  """get_is_optimized(CHARMMAtom self, FloatKey a0) -> bool"""
11995  return _IMP_atom.CHARMMAtom_get_is_optimized(self, a0)
11996 
11997 
11998  def get_check_level(self):
11999  """get_check_level(CHARMMAtom self) -> IMP::CheckLevel"""
12000  return _IMP_atom.CHARMMAtom_get_check_level(self)
12001 
12002 
12003  def __eq__(self, *args):
12004  """
12005  __eq__(CHARMMAtom self, CHARMMAtom o) -> bool
12006  __eq__(CHARMMAtom self, Particle d) -> bool
12007  """
12008  return _IMP_atom.CHARMMAtom___eq__(self, *args)
12009 
12010 
12011  def __ne__(self, *args):
12012  """
12013  __ne__(CHARMMAtom self, CHARMMAtom o) -> bool
12014  __ne__(CHARMMAtom self, Particle d) -> bool
12015  """
12016  return _IMP_atom.CHARMMAtom___ne__(self, *args)
12017 
12018 
12019  def __le__(self, *args):
12020  """
12021  __le__(CHARMMAtom self, CHARMMAtom o) -> bool
12022  __le__(CHARMMAtom self, Particle d) -> bool
12023  """
12024  return _IMP_atom.CHARMMAtom___le__(self, *args)
12025 
12026 
12027  def __lt__(self, *args):
12028  """
12029  __lt__(CHARMMAtom self, CHARMMAtom o) -> bool
12030  __lt__(CHARMMAtom self, Particle d) -> bool
12031  """
12032  return _IMP_atom.CHARMMAtom___lt__(self, *args)
12033 
12034 
12035  def __ge__(self, *args):
12036  """
12037  __ge__(CHARMMAtom self, CHARMMAtom o) -> bool
12038  __ge__(CHARMMAtom self, Particle d) -> bool
12039  """
12040  return _IMP_atom.CHARMMAtom___ge__(self, *args)
12041 
12042 
12043  def __gt__(self, *args):
12044  """
12045  __gt__(CHARMMAtom self, CHARMMAtom o) -> bool
12046  __gt__(CHARMMAtom self, Particle d) -> bool
12047  """
12048  return _IMP_atom.CHARMMAtom___gt__(self, *args)
12049 
12050 
12051  def __hash__(self):
12052  """__hash__(CHARMMAtom self) -> std::size_t"""
12053  return _IMP_atom.CHARMMAtom___hash__(self)
12054 
12055 
12056  def __str__(self):
12057  """__str__(CHARMMAtom self) -> std::string"""
12058  return _IMP_atom.CHARMMAtom___str__(self)
12059 
12060 
12061  def __repr__(self):
12062  """__repr__(CHARMMAtom self) -> std::string"""
12063  return _IMP_atom.CHARMMAtom___repr__(self)
12064 
12065  __swig_destroy__ = _IMP_atom.delete_CHARMMAtom
12066  __del__ = lambda self: None
12067 CHARMMAtom_swigregister = _IMP_atom.CHARMMAtom_swigregister
12068 CHARMMAtom_swigregister(CHARMMAtom)
12069 
12070 def CHARMMAtom_setup_particle(*args):
12071  """
12072  setup_particle(Model m, ParticleIndex pi, IMP::String charmm_type) -> CHARMMAtom
12073  CHARMMAtom_setup_particle(_ParticleAdaptor decorator, IMP::String charmm_type) -> CHARMMAtom
12074  """
12075  return _IMP_atom.CHARMMAtom_setup_particle(*args)
12076 
12077 def CHARMMAtom_get_is_setup(*args):
12078  """
12079  get_is_setup(_ParticleAdaptor p) -> bool
12080  CHARMMAtom_get_is_setup(Model m, ParticleIndex pi) -> bool
12081  """
12082  return _IMP_atom.CHARMMAtom_get_is_setup(*args)
12083 
12084 def CHARMMAtom_get_charmm_type_key():
12085  """CHARMMAtom_get_charmm_type_key() -> StringKey"""
12086  return _IMP_atom.CHARMMAtom_get_charmm_type_key()
12087 
12088 
12089 def get_charmm_untyped_atoms(hierarchy):
12090  """get_charmm_untyped_atoms(Hierarchy hierarchy) -> IMP::atom::Atoms"""
12091  return _IMP_atom.get_charmm_untyped_atoms(hierarchy)
12092 
12093 def remove_charmm_untyped_atoms(hierarchy):
12094  """remove_charmm_untyped_atoms(Hierarchy hierarchy)"""
12095  return _IMP_atom.remove_charmm_untyped_atoms(hierarchy)
12096 class CHARMMBondParameters(object):
12097  """Proxy of C++ IMP::atom::CHARMMBondParameters class"""
12098  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12099  force_constant = _swig_property(_IMP_atom.CHARMMBondParameters_force_constant_get, _IMP_atom.CHARMMBondParameters_force_constant_set)
12100  ideal = _swig_property(_IMP_atom.CHARMMBondParameters_ideal_get, _IMP_atom.CHARMMBondParameters_ideal_set)
12101 
12102  def __init__(self):
12103  """__init__(IMP::atom::CHARMMBondParameters self) -> CHARMMBondParameters"""
12104  this = _IMP_atom.new_CHARMMBondParameters()
12105  try:
12106  self.this.append(this)
12107  except:
12108  self.this = this
12109 
12110  def show(self, *args):
12111  """
12112  show(CHARMMBondParameters self, _ostream out)
12113  show(CHARMMBondParameters self)
12114  """
12115  return _IMP_atom.CHARMMBondParameters_show(self, *args)
12116 
12117 
12118  def __str__(self):
12119  """__str__(CHARMMBondParameters self) -> std::string"""
12120  return _IMP_atom.CHARMMBondParameters___str__(self)
12121 
12122 
12123  def __repr__(self):
12124  """__repr__(CHARMMBondParameters self) -> std::string"""
12125  return _IMP_atom.CHARMMBondParameters___repr__(self)
12126 
12127  __swig_destroy__ = _IMP_atom.delete_CHARMMBondParameters
12128  __del__ = lambda self: None
12129 CHARMMBondParameters_swigregister = _IMP_atom.CHARMMBondParameters_swigregister
12130 CHARMMBondParameters_swigregister(CHARMMBondParameters)
12131 
12132 class CHARMMDihedralParameters(object):
12133  """Proxy of C++ IMP::atom::CHARMMDihedralParameters class"""
12134  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12135  force_constant = _swig_property(_IMP_atom.CHARMMDihedralParameters_force_constant_get, _IMP_atom.CHARMMDihedralParameters_force_constant_set)
12136  multiplicity = _swig_property(_IMP_atom.CHARMMDihedralParameters_multiplicity_get, _IMP_atom.CHARMMDihedralParameters_multiplicity_set)
12137  ideal = _swig_property(_IMP_atom.CHARMMDihedralParameters_ideal_get, _IMP_atom.CHARMMDihedralParameters_ideal_set)
12138 
12139  def __init__(self):
12140  """__init__(IMP::atom::CHARMMDihedralParameters self) -> CHARMMDihedralParameters"""
12141  this = _IMP_atom.new_CHARMMDihedralParameters()
12142  try:
12143  self.this.append(this)
12144  except:
12145  self.this = this
12146 
12147  def show(self, *args):
12148  """
12149  show(CHARMMDihedralParameters self, _ostream out)
12150  show(CHARMMDihedralParameters self)
12151  """
12152  return _IMP_atom.CHARMMDihedralParameters_show(self, *args)
12153 
12154 
12155  def __str__(self):
12156  """__str__(CHARMMDihedralParameters self) -> std::string"""
12157  return _IMP_atom.CHARMMDihedralParameters___str__(self)
12158 
12159 
12160  def __repr__(self):
12161  """__repr__(CHARMMDihedralParameters self) -> std::string"""
12162  return _IMP_atom.CHARMMDihedralParameters___repr__(self)
12163 
12164  __swig_destroy__ = _IMP_atom.delete_CHARMMDihedralParameters
12165  __del__ = lambda self: None
12166 CHARMMDihedralParameters_swigregister = _IMP_atom.CHARMMDihedralParameters_swigregister
12167 CHARMMDihedralParameters_swigregister(CHARMMDihedralParameters)
12168 
12169 class CHARMMParameters(ForceFieldParameters):
12170  """Proxy of C++ IMP::atom::CHARMMParameters class"""
12171  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12172 
12173  def __init__(self, *args):
12174  """
12175  __init__(IMP::atom::CHARMMParameters self, TextInput topology_file_name, TextInput par_file_name, bool translate_names_to_pdb=False) -> CHARMMParameters
12176  __init__(IMP::atom::CHARMMParameters self, TextInput topology_file_name, TextInput par_file_name) -> CHARMMParameters
12177  __init__(IMP::atom::CHARMMParameters self, TextInput topology_file_name) -> CHARMMParameters
12178  """
12179  this = _IMP_atom.new_CHARMMParameters(*args)
12180  try:
12181  self.this.append(this)
12182  except:
12183  self.this = this
12184 
12185  def add_residue_topology(self, res):
12186  """add_residue_topology(CHARMMParameters self, CHARMMIdealResidueTopology res)"""
12187  return _IMP_atom.CHARMMParameters_add_residue_topology(self, res)
12188 
12189 
12190  def get_residue_topology(self, type):
12191  """get_residue_topology(CHARMMParameters self, ResidueType type) -> CHARMMIdealResidueTopology"""
12192  return _IMP_atom.CHARMMParameters_get_residue_topology(self, type)
12193 
12194 
12195  def add_patch(self, patch):
12196  """add_patch(CHARMMParameters self, CHARMMPatch patch)"""
12197  return _IMP_atom.CHARMMParameters_add_patch(self, patch)
12198 
12199 
12200  def get_patch(self, name):
12201  """get_patch(CHARMMParameters self, std::string name) -> CHARMMPatch"""
12202  return _IMP_atom.CHARMMParameters_get_patch(self, name)
12203 
12204 
12205  def create_topology(self, hierarchy):
12206  """create_topology(CHARMMParameters self, Hierarchy hierarchy) -> CHARMMTopology"""
12207  return _IMP_atom.CHARMMParameters_create_topology(self, hierarchy)
12208 
12209 
12210  def get_bond_parameters(self, type1, type2):
12211  """get_bond_parameters(CHARMMParameters self, std::string type1, std::string type2) -> CHARMMBondParameters"""
12212  return _IMP_atom.CHARMMParameters_get_bond_parameters(self, type1, type2)
12213 
12214 
12215  def get_angle_parameters(self, type1, type2, type3):
12216  """get_angle_parameters(CHARMMParameters self, std::string type1, std::string type2, std::string type3) -> CHARMMBondParameters"""
12217  return _IMP_atom.CHARMMParameters_get_angle_parameters(self, type1, type2, type3)
12218 
12219 
12220  def get_dihedral_parameters(self, type1, type2, type3, type4):
12221  """get_dihedral_parameters(CHARMMParameters self, std::string type1, std::string type2, std::string type3, std::string type4) -> IMP::atom::CHARMMDihedralParametersList"""
12222  return _IMP_atom.CHARMMParameters_get_dihedral_parameters(self, type1, type2, type3, type4)
12223 
12224 
12225  def get_improper_parameters(self, type1, type2, type3, type4):
12226  """get_improper_parameters(CHARMMParameters self, std::string type1, std::string type2, std::string type3, std::string type4) -> CHARMMDihedralParameters"""
12227  return _IMP_atom.CHARMMParameters_get_improper_parameters(self, type1, type2, type3, type4)
12228 
12229 
12230  def create_angles(self, bonds):
12231  """create_angles(CHARMMParameters self, IMP::Particles bonds) -> IMP::Particles"""
12232  return _IMP_atom.CHARMMParameters_create_angles(self, bonds)
12233 
12234 
12235  def create_dihedrals(self, bonds):
12236  """create_dihedrals(CHARMMParameters self, IMP::Particles bonds) -> IMP::Particles"""
12237  return _IMP_atom.CHARMMParameters_create_dihedrals(self, bonds)
12238 
12239 
12240  def get_version_info(self):
12241  """get_version_info(CHARMMParameters self) -> VersionInfo"""
12242  return _IMP_atom.CHARMMParameters_get_version_info(self)
12243 
12244 
12245  def __str__(self):
12246  """__str__(CHARMMParameters self) -> std::string"""
12247  return _IMP_atom.CHARMMParameters___str__(self)
12248 
12249 
12250  def __repr__(self):
12251  """__repr__(CHARMMParameters self) -> std::string"""
12252  return _IMP_atom.CHARMMParameters___repr__(self)
12253 
12254 
12255  @staticmethod
12256  def get_from(o):
12257  return _object_cast_to_CHARMMParameters(o)
12258 
12259 CHARMMParameters_swigregister = _IMP_atom.CHARMMParameters_swigregister
12260 CHARMMParameters_swigregister(CHARMMParameters)
12261 
12262 
12264  """get_heavy_atom_CHARMM_parameters() -> CHARMMParameters"""
12265  return _IMP_atom.get_heavy_atom_CHARMM_parameters()
12266 
12268  """get_all_atom_CHARMM_parameters() -> CHARMMParameters"""
12269  return _IMP_atom.get_all_atom_CHARMM_parameters()
12270 class CHARMMSegmentTopology(IMP.Object):
12271  """Proxy of C++ IMP::atom::CHARMMSegmentTopology class"""
12272  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12273 
12274  def remove_residue(self, d):
12275  """remove_residue(CHARMMSegmentTopology self, CHARMMResidueTopology d)"""
12276  return _IMP_atom.CHARMMSegmentTopology_remove_residue(self, d)
12277 
12278 
12279  def remove_residues(self, d):
12280  """remove_residues(CHARMMSegmentTopology self, IMP::atom::CHARMMResidueTopologies const & d)"""
12281  return _IMP_atom.CHARMMSegmentTopology_remove_residues(self, d)
12282 
12283 
12284  def set_residues(self, ps):
12285  """set_residues(CHARMMSegmentTopology self, IMP::atom::CHARMMResidueTopologies const & ps)"""
12286  return _IMP_atom.CHARMMSegmentTopology_set_residues(self, ps)
12287 
12288 
12289  def set_residues_order(self, objs):
12290  """set_residues_order(CHARMMSegmentTopology self, IMP::atom::CHARMMResidueTopologies const & objs)"""
12291  return _IMP_atom.CHARMMSegmentTopology_set_residues_order(self, objs)
12292 
12293 
12294  def add_residue(self, obj):
12295  """add_residue(CHARMMSegmentTopology self, CHARMMResidueTopology obj) -> unsigned int"""
12296  return _IMP_atom.CHARMMSegmentTopology_add_residue(self, obj)
12297 
12298 
12299  def add_residues(self, objs):
12300  """add_residues(CHARMMSegmentTopology self, IMP::atom::CHARMMResidueTopologies const & objs)"""
12301  return _IMP_atom.CHARMMSegmentTopology_add_residues(self, objs)
12302 
12303 
12304  def clear_residues(self):
12305  """clear_residues(CHARMMSegmentTopology self)"""
12306  return _IMP_atom.CHARMMSegmentTopology_clear_residues(self)
12307 
12308 
12309  def get_number_of_residues(self):
12310  """get_number_of_residues(CHARMMSegmentTopology self) -> unsigned int"""
12311  return _IMP_atom.CHARMMSegmentTopology_get_number_of_residues(self)
12312 
12313 
12314  def get_has_residues(self):
12315  """get_has_residues(CHARMMSegmentTopology self) -> bool"""
12316  return _IMP_atom.CHARMMSegmentTopology_get_has_residues(self)
12317 
12318 
12319  def get_residue(self, i):
12320  """get_residue(CHARMMSegmentTopology self, unsigned int i) -> CHARMMResidueTopology"""
12321  return _IMP_atom.CHARMMSegmentTopology_get_residue(self, i)
12322 
12323 
12324  def get_residues(self):
12325  """get_residues(CHARMMSegmentTopology self) -> IMP::atom::CHARMMResidueTopologies"""
12326  return _IMP_atom.CHARMMSegmentTopology_get_residues(self)
12327 
12328 
12329  def reserve_residues(self, sz):
12330  """reserve_residues(CHARMMSegmentTopology self, unsigned int sz)"""
12331  return _IMP_atom.CHARMMSegmentTopology_reserve_residues(self, sz)
12332 
12333 
12334  def get_version_info(self):
12335  """get_version_info(CHARMMSegmentTopology self) -> VersionInfo"""
12336  return _IMP_atom.CHARMMSegmentTopology_get_version_info(self)
12337 
12338 
12339  def __init__(self, *args):
12340  """
12341  __init__(IMP::atom::CHARMMSegmentTopology self, std::string name) -> CHARMMSegmentTopology
12342  __init__(IMP::atom::CHARMMSegmentTopology self) -> CHARMMSegmentTopology
12343  """
12344  this = _IMP_atom.new_CHARMMSegmentTopology(*args)
12345  try:
12346  self.this.append(this)
12347  except:
12348  self.this = this
12349 
12350  def apply_default_patches(self, ff):
12351  """apply_default_patches(CHARMMSegmentTopology self, CHARMMParameters ff)"""
12352  return _IMP_atom.CHARMMSegmentTopology_apply_default_patches(self, ff)
12353 
12354 
12355  def __str__(self):
12356  """__str__(CHARMMSegmentTopology self) -> std::string"""
12357  return _IMP_atom.CHARMMSegmentTopology___str__(self)
12358 
12359 
12360  def __repr__(self):
12361  """__repr__(CHARMMSegmentTopology self) -> std::string"""
12362  return _IMP_atom.CHARMMSegmentTopology___repr__(self)
12363 
12364 
12365  @staticmethod
12366  def get_from(o):
12367  return _object_cast_to_CHARMMSegmentTopology(o)
12368 
12369 CHARMMSegmentTopology_swigregister = _IMP_atom.CHARMMSegmentTopology_swigregister
12370 CHARMMSegmentTopology_swigregister(CHARMMSegmentTopology)
12371 
12372 class CHARMMTopology(IMP.Object):
12373  """Proxy of C++ IMP::atom::CHARMMTopology class"""
12374  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12375 
12376  def __init__(self, *args):
12377  """
12378  __init__(IMP::atom::CHARMMTopology self, CHARMMParameters force_field, std::string name) -> CHARMMTopology
12379  __init__(IMP::atom::CHARMMTopology self, CHARMMParameters force_field) -> CHARMMTopology
12380  """
12381  this = _IMP_atom.new_CHARMMTopology(*args)
12382  try:
12383  self.this.append(this)
12384  except:
12385  self.this = this
12386 
12387  def get_parameters(self):
12388  """get_parameters(CHARMMTopology self) -> CHARMMParameters"""
12389  return _IMP_atom.CHARMMTopology_get_parameters(self)
12390 
12391 
12392  def add_sequence(self, sequence):
12393  """add_sequence(CHARMMTopology self, std::string sequence)"""
12394  return _IMP_atom.CHARMMTopology_add_sequence(self, sequence)
12395 
12396 
12397  def apply_default_patches(self):
12398  """apply_default_patches(CHARMMTopology self)"""
12399  return _IMP_atom.CHARMMTopology_apply_default_patches(self)
12400 
12401 
12402  def create_hierarchy(self, model):
12403  """create_hierarchy(CHARMMTopology self, Model model) -> Hierarchy"""
12404  return _IMP_atom.CHARMMTopology_create_hierarchy(self, model)
12405 
12406 
12407  def add_atom_types(self, hierarchy):
12408  """add_atom_types(CHARMMTopology self, Hierarchy hierarchy)"""
12409  return _IMP_atom.CHARMMTopology_add_atom_types(self, hierarchy)
12410 
12411 
12412  def add_coordinates(self, hierarchy):
12413  """add_coordinates(CHARMMTopology self, Hierarchy hierarchy)"""
12414  return _IMP_atom.CHARMMTopology_add_coordinates(self, hierarchy)
12415 
12416 
12417  def add_missing_atoms(self, hierarchy):
12418  """add_missing_atoms(CHARMMTopology self, Hierarchy hierarchy)"""
12419  return _IMP_atom.CHARMMTopology_add_missing_atoms(self, hierarchy)
12420 
12421 
12422  def setup_hierarchy(self, hierarchy):
12423  """setup_hierarchy(CHARMMTopology self, Hierarchy hierarchy)"""
12424  return _IMP_atom.CHARMMTopology_setup_hierarchy(self, hierarchy)
12425 
12426 
12427  def add_charges(self, hierarchy):
12428  """add_charges(CHARMMTopology self, Hierarchy hierarchy)"""
12429  return _IMP_atom.CHARMMTopology_add_charges(self, hierarchy)
12430 
12431 
12432  def add_bonds(self, hierarchy):
12433  """add_bonds(CHARMMTopology self, Hierarchy hierarchy) -> IMP::Particles"""
12434  return _IMP_atom.CHARMMTopology_add_bonds(self, hierarchy)
12435 
12436 
12437  def add_dihedrals(self, hierarchy):
12438  """add_dihedrals(CHARMMTopology self, Hierarchy hierarchy) -> IMP::Particles"""
12439  return _IMP_atom.CHARMMTopology_add_dihedrals(self, hierarchy)
12440 
12441 
12442  def add_impropers(self, hierarchy):
12443  """add_impropers(CHARMMTopology self, Hierarchy hierarchy) -> IMP::Particles"""
12444  return _IMP_atom.CHARMMTopology_add_impropers(self, hierarchy)
12445 
12446 
12447  def remove_segment(self, d):
12448  """remove_segment(CHARMMTopology self, CHARMMSegmentTopology d)"""
12449  return _IMP_atom.CHARMMTopology_remove_segment(self, d)
12450 
12451 
12452  def remove_segments(self, d):
12453  """remove_segments(CHARMMTopology self, IMP::atom::CHARMMSegmentTopologies const & d)"""
12454  return _IMP_atom.CHARMMTopology_remove_segments(self, d)
12455 
12456 
12457  def set_segments(self, ps):
12458  """set_segments(CHARMMTopology self, IMP::atom::CHARMMSegmentTopologies const & ps)"""
12459  return _IMP_atom.CHARMMTopology_set_segments(self, ps)
12460 
12461 
12462  def set_segments_order(self, objs):
12463  """set_segments_order(CHARMMTopology self, IMP::atom::CHARMMSegmentTopologies const & objs)"""
12464  return _IMP_atom.CHARMMTopology_set_segments_order(self, objs)
12465 
12466 
12467  def add_segment(self, obj):
12468  """add_segment(CHARMMTopology self, CHARMMSegmentTopology obj) -> unsigned int"""
12469  return _IMP_atom.CHARMMTopology_add_segment(self, obj)
12470 
12471 
12472  def add_segments(self, objs):
12473  """add_segments(CHARMMTopology self, IMP::atom::CHARMMSegmentTopologies const & objs)"""
12474  return _IMP_atom.CHARMMTopology_add_segments(self, objs)
12475 
12476 
12477  def clear_segments(self):
12478  """clear_segments(CHARMMTopology self)"""
12479  return _IMP_atom.CHARMMTopology_clear_segments(self)
12480 
12481 
12482  def get_number_of_segments(self):
12483  """get_number_of_segments(CHARMMTopology self) -> unsigned int"""
12484  return _IMP_atom.CHARMMTopology_get_number_of_segments(self)
12485 
12486 
12487  def get_has_segments(self):
12488  """get_has_segments(CHARMMTopology self) -> bool"""
12489  return _IMP_atom.CHARMMTopology_get_has_segments(self)
12490 
12491 
12492  def get_segment(self, i):
12493  """get_segment(CHARMMTopology self, unsigned int i) -> CHARMMSegmentTopology"""
12494  return _IMP_atom.CHARMMTopology_get_segment(self, i)
12495 
12496 
12497  def get_segments(self):
12498  """get_segments(CHARMMTopology self) -> IMP::atom::CHARMMSegmentTopologies"""
12499  return _IMP_atom.CHARMMTopology_get_segments(self)
12500 
12501 
12502  def reserve_segments(self, sz):
12503  """reserve_segments(CHARMMTopology self, unsigned int sz)"""
12504  return _IMP_atom.CHARMMTopology_reserve_segments(self, sz)
12505 
12506 
12507  def get_version_info(self):
12508  """get_version_info(CHARMMTopology self) -> VersionInfo"""
12509  return _IMP_atom.CHARMMTopology_get_version_info(self)
12510 
12511 
12512  def __str__(self):
12513  """__str__(CHARMMTopology self) -> std::string"""
12514  return _IMP_atom.CHARMMTopology___str__(self)
12515 
12516 
12517  def __repr__(self):
12518  """__repr__(CHARMMTopology self) -> std::string"""
12519  return _IMP_atom.CHARMMTopology___repr__(self)
12520 
12521 
12522  @staticmethod
12523  def get_from(o):
12524  return _object_cast_to_CHARMMTopology(o)
12525 
12526 CHARMMTopology_swigregister = _IMP_atom.CHARMMTopology_swigregister
12527 CHARMMTopology_swigregister(CHARMMTopology)
12528 
12529 class CHARMMStereochemistryRestraint(IMP.Restraint):
12530  """Proxy of C++ IMP::atom::CHARMMStereochemistryRestraint class"""
12531  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12532 
12533  def __init__(self, *args):
12534  """
12535  __init__(IMP::atom::CHARMMStereochemistryRestraint self, Hierarchy h, CHARMMTopology topology) -> CHARMMStereochemistryRestraint
12536  __init__(IMP::atom::CHARMMStereochemistryRestraint self, Hierarchy h, CHARMMTopology topology, IMP::ParticlesTemp limit_to_these_particles) -> CHARMMStereochemistryRestraint
12537  """
12538  this = _IMP_atom.new_CHARMMStereochemistryRestraint(*args)
12539  try:
12540  self.this.append(this)
12541  except:
12542  self.this = this
12543 
12544  def get_pair_filter(self):
12545  """get_pair_filter(CHARMMStereochemistryRestraint self) -> StereochemistryPairFilter"""
12546  return _IMP_atom.CHARMMStereochemistryRestraint_get_pair_filter(self)
12547 
12548 
12549  def get_full_pair_filter(self):
12550  """get_full_pair_filter(CHARMMStereochemistryRestraint self) -> StereochemistryPairFilter"""
12551  return _IMP_atom.CHARMMStereochemistryRestraint_get_full_pair_filter(self)
12552 
12553 
12554  def do_get_inputs(self):
12555  """do_get_inputs(CHARMMStereochemistryRestraint self) -> IMP::ModelObjectsTemp"""
12556  return _IMP_atom.CHARMMStereochemistryRestraint_do_get_inputs(self)
12557 
12558 
12559  def get_version_info(self):
12560  """get_version_info(CHARMMStereochemistryRestraint self) -> VersionInfo"""
12561  return _IMP_atom.CHARMMStereochemistryRestraint_get_version_info(self)
12562 
12563 
12564  def __str__(self):
12565  """__str__(CHARMMStereochemistryRestraint self) -> std::string"""
12566  return _IMP_atom.CHARMMStereochemistryRestraint___str__(self)
12567 
12568 
12569  def __repr__(self):
12570  """__repr__(CHARMMStereochemistryRestraint self) -> std::string"""
12571  return _IMP_atom.CHARMMStereochemistryRestraint___repr__(self)
12572 
12573 
12574  @staticmethod
12575  def get_from(o):
12576  return _object_cast_to_CHARMMStereochemistryRestraint(o)
12577 
12578 CHARMMStereochemistryRestraint_swigregister = _IMP_atom.CHARMMStereochemistryRestraint_swigregister
12579 CHARMMStereochemistryRestraint_swigregister(CHARMMStereochemistryRestraint)
12580 
12581 
12582 def add_bonds(*args):
12583  """
12584  add_bonds(Hierarchy d, ForceFieldParameters ffp)
12585  add_bonds(Hierarchy d)
12586  """
12587  return _IMP_atom.add_bonds(*args)
12588 
12589 def add_radii(*args):
12590  """
12591  add_radii(Hierarchy d, ForceFieldParameters ffp, FloatKey radius_key)
12592  add_radii(Hierarchy d, ForceFieldParameters ffp)
12593  add_radii(Hierarchy d)
12594  """
12595  return _IMP_atom.add_radii(*args)
12596 
12597 _IMP_atom.ALBER_swigconstant(_IMP_atom)
12598 ALBER = _IMP_atom.ALBER
12599 
12600 _IMP_atom.HARPAZ_swigconstant(_IMP_atom)
12601 HARPAZ = _IMP_atom.HARPAZ
12602 
12603 _IMP_atom.ANDERSSON_swigconstant(_IMP_atom)
12604 ANDERSSON = _IMP_atom.ANDERSSON
12605 
12606 _IMP_atom.TSAI_swigconstant(_IMP_atom)
12607 TSAI = _IMP_atom.TSAI
12608 
12609 _IMP_atom.QUILLIN_swigconstant(_IMP_atom)
12610 QUILLIN = _IMP_atom.QUILLIN
12611 
12612 _IMP_atom.SQUIRE_swigconstant(_IMP_atom)
12613 SQUIRE = _IMP_atom.SQUIRE
12614 
12615 def get_protein_density_from_reference(densityReference):
12616  """get_protein_density_from_reference(IMP::atom::ProteinDensityReference densityReference) -> double"""
12617  return _IMP_atom.get_protein_density_from_reference(densityReference)
12618 
12619 def get_volume_from_mass(*args):
12620  """
12621  get_volume_from_mass(double m, IMP::atom::ProteinDensityReference ref) -> double
12622  get_volume_from_mass(double m) -> double
12623  """
12624  return _IMP_atom.get_volume_from_mass(*args)
12625 
12626 def get_mass_from_volume(*args):
12627  """
12628  get_mass_from_volume(double v, IMP::atom::ProteinDensityReference ref) -> double
12629  get_mass_from_volume(double v) -> double
12630  """
12631  return _IMP_atom.get_mass_from_volume(*args)
12632 
12634  """get_mass_from_number_of_residues(unsigned int num_aa) -> double"""
12635  return _IMP_atom.get_mass_from_number_of_residues(num_aa)
12636 
12638  """get_volume_from_residue_type(ResidueType rt) -> double"""
12639  return _IMP_atom.get_volume_from_residue_type(rt)
12640 
12641 def get_molarity(n, volume):
12642  """get_molarity(double n, double volume) -> double"""
12643  return _IMP_atom.get_molarity(n, volume)
12644 
12645 def get_kd(na, nb, nab, volume):
12646  """get_kd(double na, double nb, double nab, double volume) -> double"""
12647  return _IMP_atom.get_kd(na, nb, nab, volume)
12648 
12649 def get_einstein_diffusion_coefficient(r, temp=-1):
12650  """
12651  get_einstein_diffusion_coefficient(double r, double temp=-1) -> double
12652  get_einstein_diffusion_coefficient(double r) -> double
12653  """
12654  return _IMP_atom.get_einstein_diffusion_coefficient(r, temp)
12655 
12657  """
12658  get_einstein_rotational_diffusion_coefficient(double r, double temp=-1) -> double
12659  get_einstein_rotational_diffusion_coefficient(double r) -> double
12660  """
12661  return _IMP_atom.get_einstein_rotational_diffusion_coefficient(r, temp)
12662 
12663 def get_diffusion_length(*args):
12664  """
12665  get_diffusion_length(double D, double t) -> double
12666  get_diffusion_length(double D, double force, double t, double temp=-1) -> double
12667  get_diffusion_length(double D, double force, double t) -> double
12668  """
12669  return _IMP_atom.get_diffusion_length(*args)
12670 
12671 def get_diffusion_angle(D, dtfs):
12672  """get_diffusion_angle(double D, double dtfs) -> double"""
12673  return _IMP_atom.get_diffusion_angle(D, dtfs)
12674 
12675 def get_diffusion_coefficient(*args):
12676  """
12677  get_diffusion_coefficient(IMP::algebra::Vector3Ds const & displacements, double dt) -> double
12678  get_diffusion_coefficient(IMP::algebra::Vector3Ds const & displacements, IMP::Floats const & dts) -> double
12679  """
12680  return _IMP_atom.get_diffusion_coefficient(*args)
12681 
12682 def get_rotational_diffusion_coefficient(orientations, dt):
12683  """get_rotational_diffusion_coefficient(IMP::algebra::Rotation3Ds const & orientations, double dt) -> double"""
12684  return _IMP_atom.get_rotational_diffusion_coefficient(orientations, dt)
12685 
12686 def get_energy_in_femto_joules(energy_in_kcal_per_mol):
12687  """get_energy_in_femto_joules(double energy_in_kcal_per_mol) -> double"""
12688  return _IMP_atom.get_energy_in_femto_joules(energy_in_kcal_per_mol)
12689 
12690 def get_force_in_femto_newtons(force_in_kcal_per_mol_per_angstrom):
12691  """get_force_in_femto_newtons(double force_in_kcal_per_mol_per_angstrom) -> double"""
12692  return _IMP_atom.get_force_in_femto_newtons(force_in_kcal_per_mol_per_angstrom)
12693 
12694 def get_spring_constant_in_femto_newtons_per_angstrom(k_in_kcal_per_mol_per_angstrom_square):
12695  """get_spring_constant_in_femto_newtons_per_angstrom(double k_in_kcal_per_mol_per_angstrom_square) -> double"""
12696  return _IMP_atom.get_spring_constant_in_femto_newtons_per_angstrom(k_in_kcal_per_mol_per_angstrom_square)
12697 class EzRestraint(IMP.Restraint):
12698  """Proxy of C++ IMP::atom::EzRestraint class"""
12699  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12700 
12701  def __init__(self, m, ps):
12702  """__init__(IMP::atom::EzRestraint self, Model m, _ParticleIndexesAdaptor ps) -> EzRestraint"""
12703  this = _IMP_atom.new_EzRestraint(m, ps)
12704  try:
12705  self.this.append(this)
12706  except:
12707  self.this = this
12708 
12709  def get_version_info(self):
12710  """get_version_info(EzRestraint self) -> VersionInfo"""
12711  return _IMP_atom.EzRestraint_get_version_info(self)
12712 
12713 
12714  def __str__(self):
12715  """__str__(EzRestraint self) -> std::string"""
12716  return _IMP_atom.EzRestraint___str__(self)
12717 
12718 
12719  def __repr__(self):
12720  """__repr__(EzRestraint self) -> std::string"""
12721  return _IMP_atom.EzRestraint___repr__(self)
12722 
12723 
12724  @staticmethod
12725  def get_from(o):
12726  return _object_cast_to_EzRestraint(o)
12727 
12728 EzRestraint_swigregister = _IMP_atom.EzRestraint_swigregister
12729 EzRestraint_swigregister(EzRestraint)
12730 
12731 
12732 def create_protein(*args):
12733  """
12734  create_protein(Model m, std::string name, double target_radius, int number_of_residues, int first_residue_index=0, double volume=-1, bool ismol=True) -> Hierarchy
12735  create_protein(Model m, std::string name, double target_radius, int number_of_residues, int first_residue_index=0, double volume=-1) -> Hierarchy
12736  create_protein(Model m, std::string name, double target_radius, int number_of_residues, int first_residue_index=0) -> Hierarchy
12737  create_protein(Model m, std::string name, double target_radius, int number_of_residues) -> Hierarchy
12738  create_protein(Model m, std::string name, double target_radius, IMP::Ints const domain_boundaries) -> Hierarchy
12739  """
12740  return _IMP_atom.create_protein(*args)
12741 
12743  """
12744  create_simplified_along_backbone(Hierarchy input, int num_res, bool keep_detailed=False) -> Hierarchy
12745  create_simplified_along_backbone(Hierarchy input, int num_res) -> Hierarchy
12746  create_simplified_along_backbone(Chain input, IMP::IntRanges const & residue_segments, bool keep_detailed=False) -> Hierarchy
12747  create_simplified_along_backbone(Chain input, IMP::IntRanges const & residue_segments) -> Hierarchy
12748  """
12749  return _IMP_atom.create_simplified_along_backbone(*args)
12750 
12751 def create_simplified_from_volume(h, resolution):
12752  """create_simplified_from_volume(Hierarchy h, double resolution) -> Hierarchy"""
12753  return _IMP_atom.create_simplified_from_volume(h, resolution)
12754 
12755 def create_simplified_assembly_from_volume(h, resolution):
12756  """create_simplified_assembly_from_volume(Hierarchy h, double resolution) -> Hierarchy"""
12757  return _IMP_atom.create_simplified_assembly_from_volume(h, resolution)
12758 
12759 def get_residue_indexes(h):
12760  """get_residue_indexes(Hierarchy h) -> IMP::Ints"""
12761  return _IMP_atom.get_residue_indexes(h)
12762 
12763 def get_residue_type(*args):
12764  """
12765  get_residue_type(char c) -> ResidueType
12766  get_residue_type(Hierarchy h) -> ResidueType
12767  """
12768  return _IMP_atom.get_residue_type(*args)
12769 
12770 def get_atom_type(h):
12771  """get_atom_type(Hierarchy h) -> AtomType"""
12772  return _IMP_atom.get_atom_type(h)
12773 
12774 def get_domain_name(h):
12775  """get_domain_name(Hierarchy h) -> std::string"""
12776  return _IMP_atom.get_domain_name(h)
12777 
12779  """
12780  create_excluded_volume_restraint(IMP::atom::Selections const & s) -> Restraint
12781  create_excluded_volume_restraint(IMP::atom::Hierarchies const & hs, double resolution=-1) -> Restraint
12782  create_excluded_volume_restraint(IMP::atom::Hierarchies const & hs) -> Restraint
12783  """
12784  return _IMP_atom.create_excluded_volume_restraint(*args)
12785 
12786 def setup_as_approximation(*args):
12787  """
12788  setup_as_approximation(Particle h, IMP::ParticlesTemp const & other, double resolution=-1)
12789  setup_as_approximation(Particle h, IMP::ParticlesTemp const & other)
12790  setup_as_approximation(Hierarchy h, double resolution=-1)
12791  setup_as_approximation(Hierarchy h)
12792  """
12793  return _IMP_atom.setup_as_approximation(*args)
12794 class _HierarchyTreeVertexIndex(object):
12795  """Proxy of C++ IMP::atom::HierarchyTreeVertexIndex class"""
12796  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12797  __repr__ = _swig_repr
12798 
12799  def __init__(self):
12800  """__init__(IMP::atom::HierarchyTreeVertexIndex self) -> _HierarchyTreeVertexIndex"""
12801  this = _IMP_atom.new__HierarchyTreeVertexIndex()
12802  try:
12803  self.this.append(this)
12804  except:
12805  self.this = this
12806  __swig_destroy__ = _IMP_atom.delete__HierarchyTreeVertexIndex
12807  __del__ = lambda self: None
12808 _HierarchyTreeVertexIndex_swigregister = _IMP_atom._HierarchyTreeVertexIndex_swigregister
12809 _HierarchyTreeVertexIndex_swigregister(_HierarchyTreeVertexIndex)
12810 
12811 
12812 def show_as_graphviz(name, out):
12813  """show_as_graphviz(IMP::atom::HierarchyTree const & name, TextOutput out)"""
12814  return _IMP_atom.show_as_graphviz(name, out)
12815 
12816 def get_vertex_index(g):
12817  """get_vertex_index(IMP::atom::HierarchyTree const & g) -> _HierarchyTreeVertexIndex"""
12818  return _IMP_atom.get_vertex_index(g)
12819 
12820 def get_hierarchy_tree(h):
12821  """get_hierarchy_tree(Hierarchy h) -> IMP::atom::HierarchyTree"""
12822  return _IMP_atom.get_hierarchy_tree(h)
12823 class HierarchyGeometry(IMP.display.SingletonGeometry):
12824  """Proxy of C++ IMP::atom::HierarchyGeometry class"""
12825  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12826 
12827  def __init__(self, d, resolution=0):
12828  """
12829  __init__(IMP::atom::HierarchyGeometry self, Hierarchy d, double resolution=0) -> HierarchyGeometry
12830  __init__(IMP::atom::HierarchyGeometry self, Hierarchy d) -> HierarchyGeometry
12831  """
12832  this = _IMP_atom.new_HierarchyGeometry(d, resolution)
12833  try:
12834  self.this.append(this)
12835  except:
12836  self.this = this
12837 
12838  def get_version_info(self):
12839  """get_version_info(HierarchyGeometry self) -> VersionInfo"""
12840  return _IMP_atom.HierarchyGeometry_get_version_info(self)
12841 
12842 
12843  def __str__(self):
12844  """__str__(HierarchyGeometry self) -> std::string"""
12845  return _IMP_atom.HierarchyGeometry___str__(self)
12846 
12847 
12848  def __repr__(self):
12849  """__repr__(HierarchyGeometry self) -> std::string"""
12850  return _IMP_atom.HierarchyGeometry___repr__(self)
12851 
12852 
12853  @staticmethod
12854  def get_from(o):
12855  return _object_cast_to_HierarchyGeometry(o)
12856 
12857 HierarchyGeometry_swigregister = _IMP_atom.HierarchyGeometry_swigregister
12858 HierarchyGeometry_swigregister(HierarchyGeometry)
12859 
12860 class HierarchiesGeometry(IMP.display.SingletonsGeometry):
12861  """Proxy of C++ IMP::atom::HierarchiesGeometry class"""
12862  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12863 
12864  def __init__(self, sc, resolution=-1):
12865  """
12866  __init__(IMP::atom::HierarchiesGeometry self, SingletonContainer sc, double resolution=-1) -> HierarchiesGeometry
12867  __init__(IMP::atom::HierarchiesGeometry self, SingletonContainer sc) -> HierarchiesGeometry
12868  """
12869  this = _IMP_atom.new_HierarchiesGeometry(sc, resolution)
12870  try:
12871  self.this.append(this)
12872  except:
12873  self.this = this
12874 
12875  def get_version_info(self):
12876  """get_version_info(HierarchiesGeometry self) -> VersionInfo"""
12877  return _IMP_atom.HierarchiesGeometry_get_version_info(self)
12878 
12879 
12880  def __str__(self):
12881  """__str__(HierarchiesGeometry self) -> std::string"""
12882  return _IMP_atom.HierarchiesGeometry___str__(self)
12883 
12884 
12885  def __repr__(self):
12886  """__repr__(HierarchiesGeometry self) -> std::string"""
12887  return _IMP_atom.HierarchiesGeometry___repr__(self)
12888 
12889 
12890  @staticmethod
12891  def get_from(o):
12892  return _object_cast_to_HierarchiesGeometry(o)
12893 
12894 HierarchiesGeometry_swigregister = _IMP_atom.HierarchiesGeometry_swigregister
12895 HierarchiesGeometry_swigregister(HierarchiesGeometry)
12896 
12897 
12898 def transform(*args):
12899  """
12900  transform(Hierarchy h, Transformation3D tr)
12901  transform(Hierarchy h, Transformation3D tr)
12902  """
12903  return _IMP_atom.transform(*args)
12904 class DopePairScore(_ADopeBase):
12905  """Proxy of C++ IMP::atom::DopePairScore class"""
12906  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12907 
12908  def __init__(self, *args):
12909  """
12910  __init__(IMP::atom::DopePairScore self, double threshold) -> DopePairScore
12911  __init__(IMP::atom::DopePairScore self) -> DopePairScore
12912  __init__(IMP::atom::DopePairScore self, double threshold, TextInput data_file) -> DopePairScore
12913  """
12914  this = _IMP_atom.new_DopePairScore(*args)
12915  try:
12916  self.this.append(this)
12917  except:
12918  self.this = this
12919 
12920  def __str__(self):
12921  """__str__(DopePairScore self) -> std::string"""
12922  return _IMP_atom.DopePairScore___str__(self)
12923 
12924 
12925  def __repr__(self):
12926  """__repr__(DopePairScore self) -> std::string"""
12927  return _IMP_atom.DopePairScore___repr__(self)
12928 
12929 
12930  @staticmethod
12931  def get_from(o):
12932  return _object_cast_to_DopePairScore(o)
12933 
12934  __swig_destroy__ = _IMP_atom.delete_DopePairScore
12935  __del__ = lambda self: None
12936 DopePairScore_swigregister = _IMP_atom.DopePairScore_swigregister
12937 DopePairScore_swigregister(DopePairScore)
12938 
12939 
12940 def add_dope_score_data(h):
12941  """add_dope_score_data(Hierarchy h)"""
12942  return _IMP_atom.add_dope_score_data(h)
12943 class LoopStatisticalPairScore(_ALoopStatisticalBase):
12944  """Proxy of C++ IMP::atom::LoopStatisticalPairScore class"""
12945  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12946 
12947  def __init__(self, *args):
12948  """
12949  __init__(IMP::atom::LoopStatisticalPairScore self, double threshold) -> LoopStatisticalPairScore
12950  __init__(IMP::atom::LoopStatisticalPairScore self) -> LoopStatisticalPairScore
12951  __init__(IMP::atom::LoopStatisticalPairScore self, double threshold, TextInput data_file) -> LoopStatisticalPairScore
12952  """
12953  this = _IMP_atom.new_LoopStatisticalPairScore(*args)
12954  try:
12955  self.this.append(this)
12956  except:
12957  self.this = this
12958 
12959  def __str__(self):
12960  """__str__(LoopStatisticalPairScore self) -> std::string"""
12961  return _IMP_atom.LoopStatisticalPairScore___str__(self)
12962 
12963 
12964  def __repr__(self):
12965  """__repr__(LoopStatisticalPairScore self) -> std::string"""
12966  return _IMP_atom.LoopStatisticalPairScore___repr__(self)
12967 
12968 
12969  @staticmethod
12970  def get_from(o):
12971  return _object_cast_to_LoopStatisticalPairScore(o)
12972 
12973  __swig_destroy__ = _IMP_atom.delete_LoopStatisticalPairScore
12974  __del__ = lambda self: None
12975 LoopStatisticalPairScore_swigregister = _IMP_atom.LoopStatisticalPairScore_swigregister
12976 LoopStatisticalPairScore_swigregister(LoopStatisticalPairScore)
12977 
12978 
12980  """add_loop_statistical_score_data(Hierarchy h)"""
12981  return _IMP_atom.add_loop_statistical_score_data(h)
12982 class OrientedSoapPairScore(_OrientedSoapBase):
12983  """Proxy of C++ IMP::atom::OrientedSoapPairScore class"""
12984  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
12985 
12986  def __init__(self, library):
12987  """__init__(IMP::atom::OrientedSoapPairScore self, std::string library) -> OrientedSoapPairScore"""
12988  this = _IMP_atom.new_OrientedSoapPairScore(library)
12989  try:
12990  self.this.append(this)
12991  except:
12992  self.this = this
12993 
12994  def get_pair_filter(self):
12995  """get_pair_filter(OrientedSoapPairScore self) -> SoapPairFilter"""
12996  return _IMP_atom.OrientedSoapPairScore_get_pair_filter(self)
12997 
12998 
12999  def __str__(self):
13000  """__str__(OrientedSoapPairScore self) -> std::string"""
13001  return _IMP_atom.OrientedSoapPairScore___str__(self)
13002 
13003 
13004  def __repr__(self):
13005  """__repr__(OrientedSoapPairScore self) -> std::string"""
13006  return _IMP_atom.OrientedSoapPairScore___repr__(self)
13007 
13008 
13009  @staticmethod
13010  def get_from(o):
13011  return _object_cast_to_OrientedSoapPairScore(o)
13012 
13013  __swig_destroy__ = _IMP_atom.delete_OrientedSoapPairScore
13014  __del__ = lambda self: None
13015 OrientedSoapPairScore_swigregister = _IMP_atom.OrientedSoapPairScore_swigregister
13016 OrientedSoapPairScore_swigregister(OrientedSoapPairScore)
13017 
13018 class SameResiduePairFilter(IMP.PairPredicate):
13019  """Proxy of C++ IMP::atom::SameResiduePairFilter class"""
13020  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13021 
13022  def __init__(self):
13023  """__init__(IMP::atom::SameResiduePairFilter self) -> SameResiduePairFilter"""
13024  this = _IMP_atom.new_SameResiduePairFilter()
13025  try:
13026  self.this.append(this)
13027  except:
13028  self.this = this
13029 
13030  def do_get_inputs(self, m, pis):
13031  """do_get_inputs(SameResiduePairFilter self, Model m, IMP::ParticleIndexes const & pis) -> IMP::ModelObjectsTemp"""
13032  return _IMP_atom.SameResiduePairFilter_do_get_inputs(self, m, pis)
13033 
13034 
13035  def get_value(self, *args):
13036  """
13037  get_value(SameResiduePairFilter self, IMP::ParticlePair const & a) -> int
13038  get_value(SameResiduePairFilter self, IMP::ParticlePairsTemp const & o) -> IMP::Ints
13039  """
13040  return _IMP_atom.SameResiduePairFilter_get_value(self, *args)
13041 
13042 
13043  def get_value_index(self, *args):
13044  """
13045  get_value_index(SameResiduePairFilter self, Model m, IMP::ParticleIndexPair const & p) -> int
13046  get_value_index(SameResiduePairFilter self, Model m, IMP::ParticleIndexPairs const & o) -> IMP::Ints
13047  """
13048  return _IMP_atom.SameResiduePairFilter_get_value_index(self, *args)
13049 
13050 
13051  def get_version_info(self):
13052  """get_version_info(SameResiduePairFilter self) -> VersionInfo"""
13053  return _IMP_atom.SameResiduePairFilter_get_version_info(self)
13054 
13055 
13056  def __str__(self):
13057  """__str__(SameResiduePairFilter self) -> std::string"""
13058  return _IMP_atom.SameResiduePairFilter___str__(self)
13059 
13060 
13061  def __repr__(self):
13062  """__repr__(SameResiduePairFilter self) -> std::string"""
13063  return _IMP_atom.SameResiduePairFilter___repr__(self)
13064 
13065 
13066  @staticmethod
13067  def get_from(o):
13068  return _object_cast_to_SameResiduePairFilter(o)
13069 
13070 SameResiduePairFilter_swigregister = _IMP_atom.SameResiduePairFilter_swigregister
13071 SameResiduePairFilter_swigregister(SameResiduePairFilter)
13072 
13073 class RemoveRigidMotionOptimizerState(IMP.OptimizerState):
13074  """Proxy of C++ IMP::atom::RemoveRigidMotionOptimizerState class"""
13075  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13076 
13077  def __init__(self, m, pis):
13078  """__init__(IMP::atom::RemoveRigidMotionOptimizerState self, Model m, _ParticleIndexesAdaptor pis) -> RemoveRigidMotionOptimizerState"""
13079  this = _IMP_atom.new_RemoveRigidMotionOptimizerState(m, pis)
13080  try:
13081  self.this.append(this)
13082  except:
13083  self.this = this
13084 
13085  def set_particles(self, pis):
13086  """set_particles(RemoveRigidMotionOptimizerState self, IMP::Particles const & pis)"""
13087  return _IMP_atom.RemoveRigidMotionOptimizerState_set_particles(self, pis)
13088 
13089 
13090  def remove_rigid_motion(self):
13091  """remove_rigid_motion(RemoveRigidMotionOptimizerState self)"""
13092  return _IMP_atom.RemoveRigidMotionOptimizerState_remove_rigid_motion(self)
13093 
13094 
13095  def get_version_info(self):
13096  """get_version_info(RemoveRigidMotionOptimizerState self) -> VersionInfo"""
13097  return _IMP_atom.RemoveRigidMotionOptimizerState_get_version_info(self)
13098 
13099 
13100  def __str__(self):
13101  """__str__(RemoveRigidMotionOptimizerState self) -> std::string"""
13102  return _IMP_atom.RemoveRigidMotionOptimizerState___str__(self)
13103 
13104 
13105  def __repr__(self):
13106  """__repr__(RemoveRigidMotionOptimizerState self) -> std::string"""
13107  return _IMP_atom.RemoveRigidMotionOptimizerState___repr__(self)
13108 
13109 
13110  @staticmethod
13111  def get_from(o):
13112  return _object_cast_to_RemoveRigidMotionOptimizerState(o)
13113 
13114 RemoveRigidMotionOptimizerState_swigregister = _IMP_atom.RemoveRigidMotionOptimizerState_swigregister
13115 RemoveRigidMotionOptimizerState_swigregister(RemoveRigidMotionOptimizerState)
13116 
13117 class BerendsenThermostatOptimizerState(IMP.OptimizerState):
13118  """Proxy of C++ IMP::atom::BerendsenThermostatOptimizerState class"""
13119  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13120 
13121  def __init__(self, pis, temperature, tau):
13122  """__init__(IMP::atom::BerendsenThermostatOptimizerState self, IMP::Particles const & pis, double temperature, double tau) -> BerendsenThermostatOptimizerState"""
13123  this = _IMP_atom.new_BerendsenThermostatOptimizerState(pis, temperature, tau)
13124  try:
13125  self.this.append(this)
13126  except:
13127  self.this = this
13128 
13129  def set_particles(self, pis):
13130  """set_particles(BerendsenThermostatOptimizerState self, IMP::Particles const & pis)"""
13131  return _IMP_atom.BerendsenThermostatOptimizerState_set_particles(self, pis)
13132 
13133 
13134  def get_temperature(self):
13135  """get_temperature(BerendsenThermostatOptimizerState self) -> double"""
13136  return _IMP_atom.BerendsenThermostatOptimizerState_get_temperature(self)
13137 
13138 
13139  def get_tau(self):
13140  """get_tau(BerendsenThermostatOptimizerState self) -> double"""
13141  return _IMP_atom.BerendsenThermostatOptimizerState_get_tau(self)
13142 
13143 
13144  def set_temperature(self, temperature):
13145  """set_temperature(BerendsenThermostatOptimizerState self, double temperature)"""
13146  return _IMP_atom.BerendsenThermostatOptimizerState_set_temperature(self, temperature)
13147 
13148 
13149  def set_tau(self, tau):
13150  """set_tau(BerendsenThermostatOptimizerState self, double tau)"""
13151  return _IMP_atom.BerendsenThermostatOptimizerState_set_tau(self, tau)
13152 
13153 
13154  def rescale_velocities(self):
13155  """rescale_velocities(BerendsenThermostatOptimizerState self)"""
13156  return _IMP_atom.BerendsenThermostatOptimizerState_rescale_velocities(self)
13157 
13158 
13159  def get_version_info(self):
13160  """get_version_info(BerendsenThermostatOptimizerState self) -> VersionInfo"""
13161  return _IMP_atom.BerendsenThermostatOptimizerState_get_version_info(self)
13162 
13163 
13164  def __str__(self):
13165  """__str__(BerendsenThermostatOptimizerState self) -> std::string"""
13166  return _IMP_atom.BerendsenThermostatOptimizerState___str__(self)
13167 
13168 
13169  def __repr__(self):
13170  """__repr__(BerendsenThermostatOptimizerState self) -> std::string"""
13171  return _IMP_atom.BerendsenThermostatOptimizerState___repr__(self)
13172 
13173 
13174  @staticmethod
13175  def get_from(o):
13176  return _object_cast_to_BerendsenThermostatOptimizerState(o)
13177 
13178 BerendsenThermostatOptimizerState_swigregister = _IMP_atom.BerendsenThermostatOptimizerState_swigregister
13179 BerendsenThermostatOptimizerState_swigregister(BerendsenThermostatOptimizerState)
13180 
13181 class LangevinThermostatOptimizerState(IMP.OptimizerState):
13182  """Proxy of C++ IMP::atom::LangevinThermostatOptimizerState class"""
13183  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13184 
13185  def __init__(self, m, pis, temperature, gamma):
13186  """__init__(IMP::atom::LangevinThermostatOptimizerState self, Model m, _ParticleIndexesAdaptor pis, double temperature, double gamma) -> LangevinThermostatOptimizerState"""
13187  this = _IMP_atom.new_LangevinThermostatOptimizerState(m, pis, temperature, gamma)
13188  try:
13189  self.this.append(this)
13190  except:
13191  self.this = this
13192 
13193  def set_particles(self, pis):
13194  """set_particles(LangevinThermostatOptimizerState self, IMP::Particles const & pis)"""
13195  return _IMP_atom.LangevinThermostatOptimizerState_set_particles(self, pis)
13196 
13197 
13198  def get_temperature(self):
13199  """get_temperature(LangevinThermostatOptimizerState self) -> double"""
13200  return _IMP_atom.LangevinThermostatOptimizerState_get_temperature(self)
13201 
13202 
13203  def get_gamma(self):
13204  """get_gamma(LangevinThermostatOptimizerState self) -> double"""
13205  return _IMP_atom.LangevinThermostatOptimizerState_get_gamma(self)
13206 
13207 
13208  def set_temperature(self, temperature):
13209  """set_temperature(LangevinThermostatOptimizerState self, double temperature)"""
13210  return _IMP_atom.LangevinThermostatOptimizerState_set_temperature(self, temperature)
13211 
13212 
13213  def set_gamma(self, gamma):
13214  """set_gamma(LangevinThermostatOptimizerState self, double gamma)"""
13215  return _IMP_atom.LangevinThermostatOptimizerState_set_gamma(self, gamma)
13216 
13217 
13218  def rescale_velocities(self):
13219  """rescale_velocities(LangevinThermostatOptimizerState self)"""
13220  return _IMP_atom.LangevinThermostatOptimizerState_rescale_velocities(self)
13221 
13222 
13223  def get_version_info(self):
13224  """get_version_info(LangevinThermostatOptimizerState self) -> VersionInfo"""
13225  return _IMP_atom.LangevinThermostatOptimizerState_get_version_info(self)
13226 
13227 
13228  def __str__(self):
13229  """__str__(LangevinThermostatOptimizerState self) -> std::string"""
13230  return _IMP_atom.LangevinThermostatOptimizerState___str__(self)
13231 
13232 
13233  def __repr__(self):
13234  """__repr__(LangevinThermostatOptimizerState self) -> std::string"""
13235  return _IMP_atom.LangevinThermostatOptimizerState___repr__(self)
13236 
13237 
13238  @staticmethod
13239  def get_from(o):
13240  return _object_cast_to_LangevinThermostatOptimizerState(o)
13241 
13242 LangevinThermostatOptimizerState_swigregister = _IMP_atom.LangevinThermostatOptimizerState_swigregister
13243 LangevinThermostatOptimizerState_swigregister(LangevinThermostatOptimizerState)
13244 
13245 class PDBSelector(IMP.Object):
13246  """Proxy of C++ IMP::atom::PDBSelector class"""
13247  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13248 
13249  def __init__(self, name):
13250  """__init__(IMP::atom::PDBSelector self, std::string name) -> PDBSelector"""
13251  if self.__class__ == PDBSelector:
13252  _self = None
13253  else:
13254  _self = self
13255  this = _IMP_atom.new_PDBSelector(_self, name)
13256  try:
13257  self.this.append(this)
13258  except:
13259  self.this = this
13260 
13261  if self.__class__ != PDBSelector:
13262  _director_objects.register(self)
13263 
13264 
13265 
13266 
13267  def get_is_selected(self, pdb_line):
13268  """get_is_selected(PDBSelector self, std::string const & pdb_line) -> bool"""
13269  return _IMP_atom.PDBSelector_get_is_selected(self, pdb_line)
13270 
13271  __swig_destroy__ = _IMP_atom.delete_PDBSelector
13272  __del__ = lambda self: None
13273 
13274  def __str__(self):
13275  """__str__(PDBSelector self) -> std::string"""
13276  return _IMP_atom.PDBSelector___str__(self)
13277 
13278 
13279  def __repr__(self):
13280  """__repr__(PDBSelector self) -> std::string"""
13281  return _IMP_atom.PDBSelector___repr__(self)
13282 
13283 
13284  @staticmethod
13285  def get_from(o):
13286  return _object_cast_to_PDBSelector(o)
13287 
13288 
13289  def get_type_name(self):
13290  return self.__class__.__name__
13291  def do_show(self, out):
13292  pass
13293  def get_version_info(self):
13294  if"IMP::atom" == "IMP":
13295  return VersionInfo(self.__module__,
13296  __import__(self.__module__).get_module_version())
13297  else:
13298  return IMP.VersionInfo(self.__module__,
13299  __import__(self.__module__).get_module_version())
13300  @staticmethod
13301  def get_from(o):
13302  return _object_cast_to_PDBSelector(o)
13303 
13304 
13305  def __and__(self, s):
13306  return AndPDBSelector(self, s)
13307  def __or__(self, s):
13308  return OrPDBSelector(self, s)
13309  def __xor__(self, s):
13310  return XorPDBSelector(self, s)
13311  def __invert__(self):
13312  return NotPDBSelector(self)
13313  def __sub__(self, s):
13314  return AndPDBSelector(self, NotPDBSelector(s))
13315 
13316  def __disown__(self):
13317  self.this.disown()
13318  _IMP_atom.disown_PDBSelector(self)
13319  return weakref_proxy(self)
13320 
13321  def do_destroy(self):
13322  """do_destroy(PDBSelector self)"""
13323  return _IMP_atom.PDBSelector_do_destroy(self)
13324 
13325 PDBSelector_swigregister = _IMP_atom.PDBSelector_swigregister
13326 PDBSelector_swigregister(PDBSelector)
13327 
13328 class NonAlternativePDBSelector(PDBSelector):
13329  """Proxy of C++ IMP::atom::NonAlternativePDBSelector class"""
13330  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13331 
13332  def __init__(self, *args):
13333  """
13334  __init__(IMP::atom::NonAlternativePDBSelector self, std::string name) -> NonAlternativePDBSelector
13335  __init__(IMP::atom::NonAlternativePDBSelector self) -> NonAlternativePDBSelector
13336  """
13337  this = _IMP_atom.new_NonAlternativePDBSelector(*args)
13338  try:
13339  self.this.append(this)
13340  except:
13341  self.this = this
13342 
13343  def get_version_info(self):
13344  """get_version_info(NonAlternativePDBSelector self) -> VersionInfo"""
13345  return _IMP_atom.NonAlternativePDBSelector_get_version_info(self)
13346 
13347 
13348  def __str__(self):
13349  """__str__(NonAlternativePDBSelector self) -> std::string"""
13350  return _IMP_atom.NonAlternativePDBSelector___str__(self)
13351 
13352 
13353  def __repr__(self):
13354  """__repr__(NonAlternativePDBSelector self) -> std::string"""
13355  return _IMP_atom.NonAlternativePDBSelector___repr__(self)
13356 
13357 
13358  @staticmethod
13359  def get_from(o):
13360  return _object_cast_to_NonAlternativePDBSelector(o)
13361 
13362 NonAlternativePDBSelector_swigregister = _IMP_atom.NonAlternativePDBSelector_swigregister
13363 NonAlternativePDBSelector_swigregister(NonAlternativePDBSelector)
13364 
13365 class ATOMPDBSelector(NonAlternativePDBSelector):
13366  """Proxy of C++ IMP::atom::ATOMPDBSelector class"""
13367  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13368 
13369  def __init__(self, *args):
13370  """
13371  __init__(IMP::atom::ATOMPDBSelector self, std::string name) -> ATOMPDBSelector
13372  __init__(IMP::atom::ATOMPDBSelector self) -> ATOMPDBSelector
13373  """
13374  this = _IMP_atom.new_ATOMPDBSelector(*args)
13375  try:
13376  self.this.append(this)
13377  except:
13378  self.this = this
13379 
13380  def __str__(self):
13381  """__str__(ATOMPDBSelector self) -> std::string"""
13382  return _IMP_atom.ATOMPDBSelector___str__(self)
13383 
13384 
13385  def __repr__(self):
13386  """__repr__(ATOMPDBSelector self) -> std::string"""
13387  return _IMP_atom.ATOMPDBSelector___repr__(self)
13388 
13389 
13390  @staticmethod
13391  def get_from(o):
13392  return _object_cast_to_ATOMPDBSelector(o)
13393 
13394 ATOMPDBSelector_swigregister = _IMP_atom.ATOMPDBSelector_swigregister
13395 ATOMPDBSelector_swigregister(ATOMPDBSelector)
13396 
13397 class CAlphaPDBSelector(NonAlternativePDBSelector):
13398  """Proxy of C++ IMP::atom::CAlphaPDBSelector class"""
13399  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13400 
13401  def __init__(self, *args):
13402  """
13403  __init__(IMP::atom::CAlphaPDBSelector self, std::string name) -> CAlphaPDBSelector
13404  __init__(IMP::atom::CAlphaPDBSelector self) -> CAlphaPDBSelector
13405  """
13406  this = _IMP_atom.new_CAlphaPDBSelector(*args)
13407  try:
13408  self.this.append(this)
13409  except:
13410  self.this = this
13411 
13412  def __str__(self):
13413  """__str__(CAlphaPDBSelector self) -> std::string"""
13414  return _IMP_atom.CAlphaPDBSelector___str__(self)
13415 
13416 
13417  def __repr__(self):
13418  """__repr__(CAlphaPDBSelector self) -> std::string"""
13419  return _IMP_atom.CAlphaPDBSelector___repr__(self)
13420 
13421 
13422  @staticmethod
13423  def get_from(o):
13424  return _object_cast_to_CAlphaPDBSelector(o)
13425 
13426 CAlphaPDBSelector_swigregister = _IMP_atom.CAlphaPDBSelector_swigregister
13427 CAlphaPDBSelector_swigregister(CAlphaPDBSelector)
13428 
13429 class CBetaPDBSelector(NonAlternativePDBSelector):
13430  """Proxy of C++ IMP::atom::CBetaPDBSelector class"""
13431  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13432 
13433  def __init__(self, *args):
13434  """
13435  __init__(IMP::atom::CBetaPDBSelector self, std::string name) -> CBetaPDBSelector
13436  __init__(IMP::atom::CBetaPDBSelector self) -> CBetaPDBSelector
13437  """
13438  this = _IMP_atom.new_CBetaPDBSelector(*args)
13439  try:
13440  self.this.append(this)
13441  except:
13442  self.this = this
13443 
13444  def __str__(self):
13445  """__str__(CBetaPDBSelector self) -> std::string"""
13446  return _IMP_atom.CBetaPDBSelector___str__(self)
13447 
13448 
13449  def __repr__(self):
13450  """__repr__(CBetaPDBSelector self) -> std::string"""
13451  return _IMP_atom.CBetaPDBSelector___repr__(self)
13452 
13453 
13454  @staticmethod
13455  def get_from(o):
13456  return _object_cast_to_CBetaPDBSelector(o)
13457 
13458 CBetaPDBSelector_swigregister = _IMP_atom.CBetaPDBSelector_swigregister
13459 CBetaPDBSelector_swigregister(CBetaPDBSelector)
13460 
13461 class AtomTypePDBSelector(PDBSelector):
13462  """Proxy of C++ IMP::atom::AtomTypePDBSelector class"""
13463  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13464 
13465  def __init__(self, *args):
13466  """
13467  __init__(IMP::atom::AtomTypePDBSelector self, IMP::Strings atom_types, std::string name) -> AtomTypePDBSelector
13468  __init__(IMP::atom::AtomTypePDBSelector self, IMP::Strings atom_types) -> AtomTypePDBSelector
13469  """
13470  this = _IMP_atom.new_AtomTypePDBSelector(*args)
13471  try:
13472  self.this.append(this)
13473  except:
13474  self.this = this
13475 
13476  def get_version_info(self):
13477  """get_version_info(AtomTypePDBSelector self) -> VersionInfo"""
13478  return _IMP_atom.AtomTypePDBSelector_get_version_info(self)
13479 
13480 
13481  def __str__(self):
13482  """__str__(AtomTypePDBSelector self) -> std::string"""
13483  return _IMP_atom.AtomTypePDBSelector___str__(self)
13484 
13485 
13486  def __repr__(self):
13487  """__repr__(AtomTypePDBSelector self) -> std::string"""
13488  return _IMP_atom.AtomTypePDBSelector___repr__(self)
13489 
13490 
13491  @staticmethod
13492  def get_from(o):
13493  return _object_cast_to_AtomTypePDBSelector(o)
13494 
13495 AtomTypePDBSelector_swigregister = _IMP_atom.AtomTypePDBSelector_swigregister
13496 AtomTypePDBSelector_swigregister(AtomTypePDBSelector)
13497 
13498 class ResidueTypePDBSelector(PDBSelector):
13499  """Proxy of C++ IMP::atom::ResidueTypePDBSelector class"""
13500  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13501 
13502  def __init__(self, *args):
13503  """
13504  __init__(IMP::atom::ResidueTypePDBSelector self, IMP::Strings residue_types, std::string name) -> ResidueTypePDBSelector
13505  __init__(IMP::atom::ResidueTypePDBSelector self, IMP::Strings residue_types) -> ResidueTypePDBSelector
13506  """
13507  this = _IMP_atom.new_ResidueTypePDBSelector(*args)
13508  try:
13509  self.this.append(this)
13510  except:
13511  self.this = this
13512 
13513  def get_version_info(self):
13514  """get_version_info(ResidueTypePDBSelector self) -> VersionInfo"""
13515  return _IMP_atom.ResidueTypePDBSelector_get_version_info(self)
13516 
13517 
13518  def __str__(self):
13519  """__str__(ResidueTypePDBSelector self) -> std::string"""
13520  return _IMP_atom.ResidueTypePDBSelector___str__(self)
13521 
13522 
13523  def __repr__(self):
13524  """__repr__(ResidueTypePDBSelector self) -> std::string"""
13525  return _IMP_atom.ResidueTypePDBSelector___repr__(self)
13526 
13527 
13528  @staticmethod
13529  def get_from(o):
13530  return _object_cast_to_ResidueTypePDBSelector(o)
13531 
13532 ResidueTypePDBSelector_swigregister = _IMP_atom.ResidueTypePDBSelector_swigregister
13533 ResidueTypePDBSelector_swigregister(ResidueTypePDBSelector)
13534 
13535 class CPDBSelector(NonAlternativePDBSelector):
13536  """Proxy of C++ IMP::atom::CPDBSelector class"""
13537  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13538 
13539  def __init__(self, *args):
13540  """
13541  __init__(IMP::atom::CPDBSelector self, std::string name) -> CPDBSelector
13542  __init__(IMP::atom::CPDBSelector self) -> CPDBSelector
13543  """
13544  this = _IMP_atom.new_CPDBSelector(*args)
13545  try:
13546  self.this.append(this)
13547  except:
13548  self.this = this
13549 
13550  def __str__(self):
13551  """__str__(CPDBSelector self) -> std::string"""
13552  return _IMP_atom.CPDBSelector___str__(self)
13553 
13554 
13555  def __repr__(self):
13556  """__repr__(CPDBSelector self) -> std::string"""
13557  return _IMP_atom.CPDBSelector___repr__(self)
13558 
13559 
13560  @staticmethod
13561  def get_from(o):
13562  return _object_cast_to_CPDBSelector(o)
13563 
13564 CPDBSelector_swigregister = _IMP_atom.CPDBSelector_swigregister
13565 CPDBSelector_swigregister(CPDBSelector)
13566 
13567 class NPDBSelector(NonAlternativePDBSelector):
13568  """Proxy of C++ IMP::atom::NPDBSelector class"""
13569  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13570 
13571  def __init__(self, *args):
13572  """
13573  __init__(IMP::atom::NPDBSelector self, std::string name) -> NPDBSelector
13574  __init__(IMP::atom::NPDBSelector self) -> NPDBSelector
13575  """
13576  this = _IMP_atom.new_NPDBSelector(*args)
13577  try:
13578  self.this.append(this)
13579  except:
13580  self.this = this
13581 
13582  def __str__(self):
13583  """__str__(NPDBSelector self) -> std::string"""
13584  return _IMP_atom.NPDBSelector___str__(self)
13585 
13586 
13587  def __repr__(self):
13588  """__repr__(NPDBSelector self) -> std::string"""
13589  return _IMP_atom.NPDBSelector___repr__(self)
13590 
13591 
13592  @staticmethod
13593  def get_from(o):
13594  return _object_cast_to_NPDBSelector(o)
13595 
13596 NPDBSelector_swigregister = _IMP_atom.NPDBSelector_swigregister
13597 NPDBSelector_swigregister(NPDBSelector)
13598 
13599 class AllPDBSelector(PDBSelector):
13600  """Proxy of C++ IMP::atom::AllPDBSelector class"""
13601  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13602 
13603  def __init__(self, *args):
13604  """
13605  __init__(IMP::atom::AllPDBSelector self, std::string name) -> AllPDBSelector
13606  __init__(IMP::atom::AllPDBSelector self) -> AllPDBSelector
13607  """
13608  this = _IMP_atom.new_AllPDBSelector(*args)
13609  try:
13610  self.this.append(this)
13611  except:
13612  self.this = this
13613 
13614  def get_version_info(self):
13615  """get_version_info(AllPDBSelector self) -> VersionInfo"""
13616  return _IMP_atom.AllPDBSelector_get_version_info(self)
13617 
13618 
13619  def __str__(self):
13620  """__str__(AllPDBSelector self) -> std::string"""
13621  return _IMP_atom.AllPDBSelector___str__(self)
13622 
13623 
13624  def __repr__(self):
13625  """__repr__(AllPDBSelector self) -> std::string"""
13626  return _IMP_atom.AllPDBSelector___repr__(self)
13627 
13628 
13629  @staticmethod
13630  def get_from(o):
13631  return _object_cast_to_AllPDBSelector(o)
13632 
13633 AllPDBSelector_swigregister = _IMP_atom.AllPDBSelector_swigregister
13634 AllPDBSelector_swigregister(AllPDBSelector)
13635 
13636 class ChainPDBSelector(NonAlternativePDBSelector):
13637  """Proxy of C++ IMP::atom::ChainPDBSelector class"""
13638  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13639 
13640  def __init__(self, *args):
13641  """
13642  __init__(IMP::atom::ChainPDBSelector self, std::string const & chains, std::string name) -> ChainPDBSelector
13643  __init__(IMP::atom::ChainPDBSelector self, std::string const & chains) -> ChainPDBSelector
13644  """
13645  this = _IMP_atom.new_ChainPDBSelector(*args)
13646  try:
13647  self.this.append(this)
13648  except:
13649  self.this = this
13650 
13651  def __str__(self):
13652  """__str__(ChainPDBSelector self) -> std::string"""
13653  return _IMP_atom.ChainPDBSelector___str__(self)
13654 
13655 
13656  def __repr__(self):
13657  """__repr__(ChainPDBSelector self) -> std::string"""
13658  return _IMP_atom.ChainPDBSelector___repr__(self)
13659 
13660 
13661  @staticmethod
13662  def get_from(o):
13663  return _object_cast_to_ChainPDBSelector(o)
13664 
13665 ChainPDBSelector_swigregister = _IMP_atom.ChainPDBSelector_swigregister
13666 ChainPDBSelector_swigregister(ChainPDBSelector)
13667 
13668 class WaterPDBSelector(NonAlternativePDBSelector):
13669  """Proxy of C++ IMP::atom::WaterPDBSelector class"""
13670  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13671 
13672  def __init__(self, *args):
13673  """
13674  __init__(IMP::atom::WaterPDBSelector self, std::string name) -> WaterPDBSelector
13675  __init__(IMP::atom::WaterPDBSelector self) -> WaterPDBSelector
13676  """
13677  this = _IMP_atom.new_WaterPDBSelector(*args)
13678  try:
13679  self.this.append(this)
13680  except:
13681  self.this = this
13682 
13683  def __str__(self):
13684  """__str__(WaterPDBSelector self) -> std::string"""
13685  return _IMP_atom.WaterPDBSelector___str__(self)
13686 
13687 
13688  def __repr__(self):
13689  """__repr__(WaterPDBSelector self) -> std::string"""
13690  return _IMP_atom.WaterPDBSelector___repr__(self)
13691 
13692 
13693  @staticmethod
13694  def get_from(o):
13695  return _object_cast_to_WaterPDBSelector(o)
13696 
13697 WaterPDBSelector_swigregister = _IMP_atom.WaterPDBSelector_swigregister
13698 WaterPDBSelector_swigregister(WaterPDBSelector)
13699 
13700 class HydrogenPDBSelector(NonAlternativePDBSelector):
13701  """Proxy of C++ IMP::atom::HydrogenPDBSelector class"""
13702  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13703 
13704  def __init__(self, *args):
13705  """
13706  __init__(IMP::atom::HydrogenPDBSelector self, std::string name) -> HydrogenPDBSelector
13707  __init__(IMP::atom::HydrogenPDBSelector self) -> HydrogenPDBSelector
13708  """
13709  this = _IMP_atom.new_HydrogenPDBSelector(*args)
13710  try:
13711  self.this.append(this)
13712  except:
13713  self.this = this
13714 
13715  def __str__(self):
13716  """__str__(HydrogenPDBSelector self) -> std::string"""
13717  return _IMP_atom.HydrogenPDBSelector___str__(self)
13718 
13719 
13720  def __repr__(self):
13721  """__repr__(HydrogenPDBSelector self) -> std::string"""
13722  return _IMP_atom.HydrogenPDBSelector___repr__(self)
13723 
13724 
13725  @staticmethod
13726  def get_from(o):
13727  return _object_cast_to_HydrogenPDBSelector(o)
13728 
13729 HydrogenPDBSelector_swigregister = _IMP_atom.HydrogenPDBSelector_swigregister
13730 HydrogenPDBSelector_swigregister(HydrogenPDBSelector)
13731 
13732 class NonWaterNonHydrogenPDBSelector(NonAlternativePDBSelector):
13733  """Proxy of C++ IMP::atom::NonWaterNonHydrogenPDBSelector class"""
13734  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13735 
13736  def __init__(self, *args):
13737  """
13738  __init__(IMP::atom::NonWaterNonHydrogenPDBSelector self, std::string name) -> NonWaterNonHydrogenPDBSelector
13739  __init__(IMP::atom::NonWaterNonHydrogenPDBSelector self) -> NonWaterNonHydrogenPDBSelector
13740  """
13741  this = _IMP_atom.new_NonWaterNonHydrogenPDBSelector(*args)
13742  try:
13743  self.this.append(this)
13744  except:
13745  self.this = this
13746 
13747  def __str__(self):
13748  """__str__(NonWaterNonHydrogenPDBSelector self) -> std::string"""
13749  return _IMP_atom.NonWaterNonHydrogenPDBSelector___str__(self)
13750 
13751 
13752  def __repr__(self):
13753  """__repr__(NonWaterNonHydrogenPDBSelector self) -> std::string"""
13754  return _IMP_atom.NonWaterNonHydrogenPDBSelector___repr__(self)
13755 
13756 
13757  @staticmethod
13758  def get_from(o):
13759  return _object_cast_to_NonWaterNonHydrogenPDBSelector(o)
13760 
13761 NonWaterNonHydrogenPDBSelector_swigregister = _IMP_atom.NonWaterNonHydrogenPDBSelector_swigregister
13762 NonWaterNonHydrogenPDBSelector_swigregister(NonWaterNonHydrogenPDBSelector)
13763 
13764 class NonHydrogenPDBSelector(NonAlternativePDBSelector):
13765  """Proxy of C++ IMP::atom::NonHydrogenPDBSelector class"""
13766  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13767 
13768  def __init__(self, *args):
13769  """
13770  __init__(IMP::atom::NonHydrogenPDBSelector self, std::string name) -> NonHydrogenPDBSelector
13771  __init__(IMP::atom::NonHydrogenPDBSelector self) -> NonHydrogenPDBSelector
13772  """
13773  this = _IMP_atom.new_NonHydrogenPDBSelector(*args)
13774  try:
13775  self.this.append(this)
13776  except:
13777  self.this = this
13778 
13779  def __str__(self):
13780  """__str__(NonHydrogenPDBSelector self) -> std::string"""
13781  return _IMP_atom.NonHydrogenPDBSelector___str__(self)
13782 
13783 
13784  def __repr__(self):
13785  """__repr__(NonHydrogenPDBSelector self) -> std::string"""
13786  return _IMP_atom.NonHydrogenPDBSelector___repr__(self)
13787 
13788 
13789  @staticmethod
13790  def get_from(o):
13791  return _object_cast_to_NonHydrogenPDBSelector(o)
13792 
13793 NonHydrogenPDBSelector_swigregister = _IMP_atom.NonHydrogenPDBSelector_swigregister
13794 NonHydrogenPDBSelector_swigregister(NonHydrogenPDBSelector)
13795 
13796 class NonWaterPDBSelector(NonAlternativePDBSelector):
13797  """Proxy of C++ IMP::atom::NonWaterPDBSelector class"""
13798  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13799 
13800  def __init__(self, *args):
13801  """
13802  __init__(IMP::atom::NonWaterPDBSelector self, std::string name) -> NonWaterPDBSelector
13803  __init__(IMP::atom::NonWaterPDBSelector self) -> NonWaterPDBSelector
13804  """
13805  this = _IMP_atom.new_NonWaterPDBSelector(*args)
13806  try:
13807  self.this.append(this)
13808  except:
13809  self.this = this
13810 
13811  def __str__(self):
13812  """__str__(NonWaterPDBSelector self) -> std::string"""
13813  return _IMP_atom.NonWaterPDBSelector___str__(self)
13814 
13815 
13816  def __repr__(self):
13817  """__repr__(NonWaterPDBSelector self) -> std::string"""
13818  return _IMP_atom.NonWaterPDBSelector___repr__(self)
13819 
13820 
13821  @staticmethod
13822  def get_from(o):
13823  return _object_cast_to_NonWaterPDBSelector(o)
13824 
13825 NonWaterPDBSelector_swigregister = _IMP_atom.NonWaterPDBSelector_swigregister
13826 NonWaterPDBSelector_swigregister(NonWaterPDBSelector)
13827 
13828 class BackbonePDBSelector(NonWaterNonHydrogenPDBSelector):
13829  """Proxy of C++ IMP::atom::BackbonePDBSelector class"""
13830  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13831 
13832  def __init__(self, *args):
13833  """
13834  __init__(IMP::atom::BackbonePDBSelector self, std::string name) -> BackbonePDBSelector
13835  __init__(IMP::atom::BackbonePDBSelector self) -> BackbonePDBSelector
13836  """
13837  this = _IMP_atom.new_BackbonePDBSelector(*args)
13838  try:
13839  self.this.append(this)
13840  except:
13841  self.this = this
13842 
13843  def __str__(self):
13844  """__str__(BackbonePDBSelector self) -> std::string"""
13845  return _IMP_atom.BackbonePDBSelector___str__(self)
13846 
13847 
13848  def __repr__(self):
13849  """__repr__(BackbonePDBSelector self) -> std::string"""
13850  return _IMP_atom.BackbonePDBSelector___repr__(self)
13851 
13852 
13853  @staticmethod
13854  def get_from(o):
13855  return _object_cast_to_BackbonePDBSelector(o)
13856 
13857 BackbonePDBSelector_swigregister = _IMP_atom.BackbonePDBSelector_swigregister
13858 BackbonePDBSelector_swigregister(BackbonePDBSelector)
13859 
13860 class PPDBSelector(NonAlternativePDBSelector):
13861  """Proxy of C++ IMP::atom::PPDBSelector class"""
13862  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13863 
13864  def __init__(self, *args):
13865  """
13866  __init__(IMP::atom::PPDBSelector self, std::string name) -> PPDBSelector
13867  __init__(IMP::atom::PPDBSelector self) -> PPDBSelector
13868  """
13869  this = _IMP_atom.new_PPDBSelector(*args)
13870  try:
13871  self.this.append(this)
13872  except:
13873  self.this = this
13874 
13875  def __str__(self):
13876  """__str__(PPDBSelector self) -> std::string"""
13877  return _IMP_atom.PPDBSelector___str__(self)
13878 
13879 
13880  def __repr__(self):
13881  """__repr__(PPDBSelector self) -> std::string"""
13882  return _IMP_atom.PPDBSelector___repr__(self)
13883 
13884 
13885  @staticmethod
13886  def get_from(o):
13887  return _object_cast_to_PPDBSelector(o)
13888 
13889 PPDBSelector_swigregister = _IMP_atom.PPDBSelector_swigregister
13890 PPDBSelector_swigregister(PPDBSelector)
13891 
13892 class AndPDBSelector(PDBSelector):
13893  """Proxy of C++ IMP::atom::AndPDBSelector class"""
13894  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13895 
13896  def get_version_info(self):
13897  """get_version_info(AndPDBSelector self) -> VersionInfo"""
13898  return _IMP_atom.AndPDBSelector_get_version_info(self)
13899 
13900 
13901  def __init__(self, a, b):
13902  """__init__(IMP::atom::AndPDBSelector self, PDBSelector a, PDBSelector b) -> AndPDBSelector"""
13903  this = _IMP_atom.new_AndPDBSelector(a, b)
13904  try:
13905  self.this.append(this)
13906  except:
13907  self.this = this
13908 
13909  def __str__(self):
13910  """__str__(AndPDBSelector self) -> std::string"""
13911  return _IMP_atom.AndPDBSelector___str__(self)
13912 
13913 
13914  def __repr__(self):
13915  """__repr__(AndPDBSelector self) -> std::string"""
13916  return _IMP_atom.AndPDBSelector___repr__(self)
13917 
13918 
13919  @staticmethod
13920  def get_from(o):
13921  return _object_cast_to_AndPDBSelector(o)
13922 
13923 AndPDBSelector_swigregister = _IMP_atom.AndPDBSelector_swigregister
13924 AndPDBSelector_swigregister(AndPDBSelector)
13925 
13926 class OrPDBSelector(PDBSelector):
13927  """Proxy of C++ IMP::atom::OrPDBSelector class"""
13928  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13929 
13930  def get_version_info(self):
13931  """get_version_info(OrPDBSelector self) -> VersionInfo"""
13932  return _IMP_atom.OrPDBSelector_get_version_info(self)
13933 
13934 
13935  def __init__(self, a, b):
13936  """__init__(IMP::atom::OrPDBSelector self, PDBSelector a, PDBSelector b) -> OrPDBSelector"""
13937  this = _IMP_atom.new_OrPDBSelector(a, b)
13938  try:
13939  self.this.append(this)
13940  except:
13941  self.this = this
13942 
13943  def __str__(self):
13944  """__str__(OrPDBSelector self) -> std::string"""
13945  return _IMP_atom.OrPDBSelector___str__(self)
13946 
13947 
13948  def __repr__(self):
13949  """__repr__(OrPDBSelector self) -> std::string"""
13950  return _IMP_atom.OrPDBSelector___repr__(self)
13951 
13952 
13953  @staticmethod
13954  def get_from(o):
13955  return _object_cast_to_OrPDBSelector(o)
13956 
13957 OrPDBSelector_swigregister = _IMP_atom.OrPDBSelector_swigregister
13958 OrPDBSelector_swigregister(OrPDBSelector)
13959 
13960 class XorPDBSelector(PDBSelector):
13961  """Proxy of C++ IMP::atom::XorPDBSelector class"""
13962  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13963 
13964  def get_version_info(self):
13965  """get_version_info(XorPDBSelector self) -> VersionInfo"""
13966  return _IMP_atom.XorPDBSelector_get_version_info(self)
13967 
13968 
13969  def __init__(self, a, b):
13970  """__init__(IMP::atom::XorPDBSelector self, PDBSelector a, PDBSelector b) -> XorPDBSelector"""
13971  this = _IMP_atom.new_XorPDBSelector(a, b)
13972  try:
13973  self.this.append(this)
13974  except:
13975  self.this = this
13976 
13977  def __str__(self):
13978  """__str__(XorPDBSelector self) -> std::string"""
13979  return _IMP_atom.XorPDBSelector___str__(self)
13980 
13981 
13982  def __repr__(self):
13983  """__repr__(XorPDBSelector self) -> std::string"""
13984  return _IMP_atom.XorPDBSelector___repr__(self)
13985 
13986 
13987  @staticmethod
13988  def get_from(o):
13989  return _object_cast_to_XorPDBSelector(o)
13990 
13991 XorPDBSelector_swigregister = _IMP_atom.XorPDBSelector_swigregister
13992 XorPDBSelector_swigregister(XorPDBSelector)
13993 
13994 class NotPDBSelector(PDBSelector):
13995  """Proxy of C++ IMP::atom::NotPDBSelector class"""
13996  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
13997 
13998  def get_version_info(self):
13999  """get_version_info(NotPDBSelector self) -> VersionInfo"""
14000  return _IMP_atom.NotPDBSelector_get_version_info(self)
14001 
14002 
14003  def __init__(self, a):
14004  """__init__(IMP::atom::NotPDBSelector self, PDBSelector a) -> NotPDBSelector"""
14005  this = _IMP_atom.new_NotPDBSelector(a)
14006  try:
14007  self.this.append(this)
14008  except:
14009  self.this = this
14010 
14011  def __str__(self):
14012  """__str__(NotPDBSelector self) -> std::string"""
14013  return _IMP_atom.NotPDBSelector___str__(self)
14014 
14015 
14016  def __repr__(self):
14017  """__repr__(NotPDBSelector self) -> std::string"""
14018  return _IMP_atom.NotPDBSelector___repr__(self)
14019 
14020 
14021  @staticmethod
14022  def get_from(o):
14023  return _object_cast_to_NotPDBSelector(o)
14024 
14025 NotPDBSelector_swigregister = _IMP_atom.NotPDBSelector_swigregister
14026 NotPDBSelector_swigregister(NotPDBSelector)
14027 
14028 
14029 def get_default_pdb_selector():
14030  """get_default_pdb_selector() -> PDBSelector"""
14031  return _IMP_atom.get_default_pdb_selector()
14032 
14033 def read_pdb(*args):
14034  """
14035  read_pdb(TextInput input, Model model, PDBSelector selector, bool select_first_model=True, bool no_radii=False) -> Hierarchy
14036  read_pdb(TextInput input, Model model, PDBSelector selector, bool select_first_model=True) -> Hierarchy
14037  read_pdb(TextInput input, Model model, PDBSelector selector) -> Hierarchy
14038  read_pdb(TextInput input, Model model) -> Hierarchy
14039  read_pdb(TextInput input, int model, Hierarchy h)
14040  """
14041  return _IMP_atom.read_pdb(*args)
14042 
14043 def read_multimodel_pdb(*args):
14044  """
14045  read_multimodel_pdb(TextInput input, Model model, PDBSelector selector, bool noradii=False) -> IMP::atom::Hierarchies
14046  read_multimodel_pdb(TextInput input, Model model, PDBSelector selector) -> IMP::atom::Hierarchies
14047  read_multimodel_pdb(TextInput input, Model model) -> IMP::atom::Hierarchies
14048  """
14049  return _IMP_atom.read_multimodel_pdb(*args)
14050 
14051 def write_pdb(mhd, out, model=1):
14052  """
14053  write_pdb(Selection mhd, TextOutput out, unsigned int model=1)
14054  write_pdb(Selection mhd, TextOutput out)
14055  """
14056  return _IMP_atom.write_pdb(mhd, out, model)
14057 
14058 def write_pdb_of_c_alphas(mhd, out, model=1):
14059  """
14060  write_pdb_of_c_alphas(Selection mhd, TextOutput out, unsigned int model=1)
14061  write_pdb_of_c_alphas(Selection mhd, TextOutput out)
14062  """
14063  return _IMP_atom.write_pdb_of_c_alphas(mhd, out, model)
14064 
14065 def write_multimodel_pdb(mhd, out):
14066  """write_multimodel_pdb(IMP::atom::Hierarchies const & mhd, TextOutput out)"""
14067  return _IMP_atom.write_multimodel_pdb(mhd, out)
14068 
14069 def get_pdb_string(*args):
14070  """
14071  get_pdb_string(Vector3D v, int index=-1, AtomType at, ResidueType rt, char chain, int res_index=1, char res_icode, double occupancy=1.00, double tempFactor=0.00, IMP::atom::Element e) -> std::string
14072  get_pdb_string(Vector3D v, int index=-1, AtomType at, ResidueType rt, char chain, int res_index=1, char res_icode, double occupancy=1.00, double tempFactor=0.00) -> std::string
14073  get_pdb_string(Vector3D v, int index=-1, AtomType at, ResidueType rt, char chain, int res_index=1, char res_icode, double occupancy=1.00) -> std::string
14074  get_pdb_string(Vector3D v, int index=-1, AtomType at, ResidueType rt, char chain, int res_index=1, char res_icode) -> std::string
14075  get_pdb_string(Vector3D v, int index=-1, AtomType at, ResidueType rt, char chain, int res_index=1) -> std::string
14076  get_pdb_string(Vector3D v, int index=-1, AtomType at, ResidueType rt, char chain) -> std::string
14077  get_pdb_string(Vector3D v, int index=-1, AtomType at, ResidueType rt) -> std::string
14078  get_pdb_string(Vector3D v, int index=-1, AtomType at) -> std::string
14079  get_pdb_string(Vector3D v, int index=-1) -> std::string
14080  get_pdb_string(Vector3D v) -> std::string
14081  """
14082  return _IMP_atom.get_pdb_string(*args)
14083 
14084 def get_pdb_conect_record_string(arg1, arg2):
14085  """get_pdb_conect_record_string(int arg1, int arg2) -> std::string"""
14086  return _IMP_atom.get_pdb_conect_record_string(arg1, arg2)
14087 class WritePDBOptimizerState(IMP.OptimizerState):
14088  """Proxy of C++ IMP::atom::WritePDBOptimizerState class"""
14089  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14090 
14091  def __init__(self, *args):
14092  """
14093  __init__(IMP::atom::WritePDBOptimizerState self, Model m, _ParticleIndexesAdaptor pis, std::string filename) -> WritePDBOptimizerState
14094  __init__(IMP::atom::WritePDBOptimizerState self, IMP::atom::Hierarchies const mh, std::string filename) -> WritePDBOptimizerState
14095  """
14096  this = _IMP_atom.new_WritePDBOptimizerState(*args)
14097  try:
14098  self.this.append(this)
14099  except:
14100  self.this = this
14101 
14102  def get_version_info(self):
14103  """get_version_info(WritePDBOptimizerState self) -> VersionInfo"""
14104  return _IMP_atom.WritePDBOptimizerState_get_version_info(self)
14105 
14106 
14107  def __str__(self):
14108  """__str__(WritePDBOptimizerState self) -> std::string"""
14109  return _IMP_atom.WritePDBOptimizerState___str__(self)
14110 
14111 
14112  def __repr__(self):
14113  """__repr__(WritePDBOptimizerState self) -> std::string"""
14114  return _IMP_atom.WritePDBOptimizerState___repr__(self)
14115 
14116 
14117  @staticmethod
14118  def get_from(o):
14119  return _object_cast_to_WritePDBOptimizerState(o)
14120 
14121 WritePDBOptimizerState_swigregister = _IMP_atom.WritePDBOptimizerState_swigregister
14122 WritePDBOptimizerState_swigregister(WritePDBOptimizerState)
14123 
14124 
14125 def read_multimodel_mmcif(*args):
14126  """
14127  read_multimodel_mmcif(TextInput input, Model model, PDBSelector selector, bool noradii=False) -> IMP::atom::Hierarchies
14128  read_multimodel_mmcif(TextInput input, Model model, PDBSelector selector) -> IMP::atom::Hierarchies
14129  read_multimodel_mmcif(TextInput input, Model model) -> IMP::atom::Hierarchies
14130  """
14131  return _IMP_atom.read_multimodel_mmcif(*args)
14132 
14133 def read_mmcif(*args):
14134  """
14135  read_mmcif(TextInput input, Model model, PDBSelector selector, bool noradii=False) -> Hierarchy
14136  read_mmcif(TextInput input, Model model, PDBSelector selector) -> Hierarchy
14137  read_mmcif(TextInput input, Model model) -> Hierarchy
14138  """
14139  return _IMP_atom.read_mmcif(*args)
14140 
14141 def get_kt(T):
14142  """get_kt(double T) -> double"""
14143  return _IMP_atom.get_kt(T)
14144 class CAAngleRestraint(IMP.Restraint):
14145  """Proxy of C++ IMP::atom::CAAngleRestraint class"""
14146  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14147 
14148  def __init__(self, m, p1, p2, p3, phi0, score):
14149  """__init__(IMP::atom::CAAngleRestraint self, Model m, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3, IMP::Floats phi0, IMP::Floats score) -> CAAngleRestraint"""
14150  this = _IMP_atom.new_CAAngleRestraint(m, p1, p2, p3, phi0, score)
14151  try:
14152  self.this.append(this)
14153  except:
14154  self.this = this
14155 
14156  def do_get_inputs(self):
14157  """do_get_inputs(CAAngleRestraint self) -> IMP::ModelObjectsTemp"""
14158  return _IMP_atom.CAAngleRestraint_do_get_inputs(self)
14159 
14160 
14161  def get_version_info(self):
14162  """get_version_info(CAAngleRestraint self) -> VersionInfo"""
14163  return _IMP_atom.CAAngleRestraint_get_version_info(self)
14164 
14165 
14166  def __str__(self):
14167  """__str__(CAAngleRestraint self) -> std::string"""
14168  return _IMP_atom.CAAngleRestraint___str__(self)
14169 
14170 
14171  def __repr__(self):
14172  """__repr__(CAAngleRestraint self) -> std::string"""
14173  return _IMP_atom.CAAngleRestraint___repr__(self)
14174 
14175 
14176  @staticmethod
14177  def get_from(o):
14178  return _object_cast_to_CAAngleRestraint(o)
14179 
14180 CAAngleRestraint_swigregister = _IMP_atom.CAAngleRestraint_swigregister
14181 CAAngleRestraint_swigregister(CAAngleRestraint)
14182 
14183 class CADihedralRestraint(IMP.Restraint):
14184  """Proxy of C++ IMP::atom::CADihedralRestraint class"""
14185  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14186 
14187  def __init__(self, m, p1, p2, p3, p4, p5, phi0, phi1, score):
14188  """__init__(IMP::atom::CADihedralRestraint self, Model m, _ParticleIndexAdaptor p1, _ParticleIndexAdaptor p2, _ParticleIndexAdaptor p3, _ParticleIndexAdaptor p4, _ParticleIndexAdaptor p5, IMP::Floats phi0, IMP::Floats phi1, IMP::Floats score) -> CADihedralRestraint"""
14189  this = _IMP_atom.new_CADihedralRestraint(m, p1, p2, p3, p4, p5, phi0, phi1, score)
14190  try:
14191  self.this.append(this)
14192  except:
14193  self.this = this
14194 
14195  def do_get_inputs(self):
14196  """do_get_inputs(CADihedralRestraint self) -> IMP::ModelObjectsTemp"""
14197  return _IMP_atom.CADihedralRestraint_do_get_inputs(self)
14198 
14199 
14200  def get_version_info(self):
14201  """get_version_info(CADihedralRestraint self) -> VersionInfo"""
14202  return _IMP_atom.CADihedralRestraint_get_version_info(self)
14203 
14204 
14205  def __str__(self):
14206  """__str__(CADihedralRestraint self) -> std::string"""
14207  return _IMP_atom.CADihedralRestraint___str__(self)
14208 
14209 
14210  def __repr__(self):
14211  """__repr__(CADihedralRestraint self) -> std::string"""
14212  return _IMP_atom.CADihedralRestraint___repr__(self)
14213 
14214 
14215  @staticmethod
14216  def get_from(o):
14217  return _object_cast_to_CADihedralRestraint(o)
14218 
14219 CADihedralRestraint_swigregister = _IMP_atom.CADihedralRestraint_swigregister
14220 CADihedralRestraint_swigregister(CADihedralRestraint)
14221 
14222 class StructureSource(IMP.Decorator):
14223  """Proxy of C++ IMP::atom::StructureSource class"""
14224  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14225 
14226  def get_source_id(self):
14227  """get_source_id(StructureSource self) -> std::string"""
14228  return _IMP_atom.StructureSource_get_source_id(self)
14229 
14230 
14231  def get_source_chain_id(self):
14232  """get_source_chain_id(StructureSource self) -> std::string"""
14233  return _IMP_atom.StructureSource_get_source_chain_id(self)
14234 
14235 
14236  def set_source_id(self, source_id):
14237  """set_source_id(StructureSource self, std::string source_id)"""
14238  return _IMP_atom.StructureSource_set_source_id(self, source_id)
14239 
14240 
14241  def set_source_chain_id(self, source_chain_id):
14242  """set_source_chain_id(StructureSource self, std::string source_chain_id)"""
14243  return _IMP_atom.StructureSource_set_source_chain_id(self, source_chain_id)
14244 
14245 
14246  def __init__(self, *args):
14247  """
14248  __init__(IMP::atom::StructureSource self) -> StructureSource
14249  __init__(IMP::atom::StructureSource self, Model m, ParticleIndex id) -> StructureSource
14250  __init__(IMP::atom::StructureSource self, _ParticleAdaptor d) -> StructureSource
14251  """
14252  this = _IMP_atom.new_StructureSource(*args)
14253  try:
14254  self.this.append(this)
14255  except:
14256  self.this = this
14257 
14258  def get_is_setup(*args):
14259  """
14260  get_is_setup(Model m, ParticleIndex pi) -> bool
14261  get_is_setup(_ParticleAdaptor p) -> bool
14262  """
14263  return _IMP_atom.StructureSource_get_is_setup(*args)
14264 
14265  get_is_setup = staticmethod(get_is_setup)
14266 
14267  def show(self, *args):
14268  """
14269  show(StructureSource self, _ostream out)
14270  show(StructureSource self)
14271  """
14272  return _IMP_atom.StructureSource_show(self, *args)
14273 
14274 
14275  def setup_particle(*args):
14276  """
14277  setup_particle(Model m, ParticleIndex pi, std::string source_id, std::string source_chain_id) -> StructureSource
14278  setup_particle(_ParticleAdaptor decorator, std::string source_id, std::string source_chain_id) -> StructureSource
14279  """
14280  return _IMP_atom.StructureSource_setup_particle(*args)
14281 
14282  setup_particle = staticmethod(setup_particle)
14283 
14284  def add_attribute(self, *args):
14285  """
14286  add_attribute(StructureSource self, FloatKey k, IMP::Float v, bool opt)
14287  add_attribute(StructureSource self, FloatKey a0, IMP::Float a1)
14288  add_attribute(StructureSource self, IntKey a0, IMP::Int a1)
14289  add_attribute(StructureSource self, FloatsKey a0, IMP::Floats a1)
14290  add_attribute(StructureSource self, IntsKey a0, IMP::Ints a1)
14291  add_attribute(StructureSource self, StringKey a0, IMP::String a1)
14292  add_attribute(StructureSource self, ParticleIndexKey a0, Particle a1)
14293  add_attribute(StructureSource self, ObjectKey a0, Object a1)
14294  """
14295  return _IMP_atom.StructureSource_add_attribute(self, *args)
14296 
14297 
14298  def get_value(self, *args):
14299  """
14300  get_value(StructureSource self, FloatKey a0) -> IMP::Float
14301  get_value(StructureSource self, IntKey a0) -> IMP::Int
14302  get_value(StructureSource self, FloatsKey a0) -> IMP::Floats
14303  get_value(StructureSource self, IntsKey a0) -> IMP::Ints
14304  get_value(StructureSource self, StringKey a0) -> IMP::String
14305  get_value(StructureSource self, ParticleIndexKey a0) -> Particle
14306  get_value(StructureSource self, ObjectKey a0) -> Object
14307  """
14308  return _IMP_atom.StructureSource_get_value(self, *args)
14309 
14310 
14311  def set_value(self, *args):
14312  """
14313  set_value(StructureSource self, FloatKey a0, IMP::Float a1)
14314  set_value(StructureSource self, IntKey a0, IMP::Int a1)
14315  set_value(StructureSource self, FloatsKey a0, IMP::Floats a1)
14316  set_value(StructureSource self, IntsKey a0, IMP::Ints a1)
14317  set_value(StructureSource self, StringKey a0, IMP::String a1)
14318  set_value(StructureSource self, ParticleIndexKey a0, Particle a1)
14319  set_value(StructureSource self, ObjectKey a0, Object a1)
14320  """
14321  return _IMP_atom.StructureSource_set_value(self, *args)
14322 
14323 
14324  def remove_attribute(self, *args):
14325  """
14326  remove_attribute(StructureSource self, FloatKey a0)
14327  remove_attribute(StructureSource self, IntKey a0)
14328  remove_attribute(StructureSource self, FloatsKey a0)
14329  remove_attribute(StructureSource self, IntsKey a0)
14330  remove_attribute(StructureSource self, StringKey a0)
14331  remove_attribute(StructureSource self, ParticleIndexKey a0)
14332  remove_attribute(StructureSource self, ObjectKey a0)
14333  """
14334  return _IMP_atom.StructureSource_remove_attribute(self, *args)
14335 
14336 
14337  def has_attribute(self, *args):
14338  """
14339  has_attribute(StructureSource self, FloatKey a0) -> bool
14340  has_attribute(StructureSource self, IntKey a0) -> bool
14341  has_attribute(StructureSource self, FloatsKey a0) -> bool
14342  has_attribute(StructureSource self, IntsKey a0) -> bool
14343  has_attribute(StructureSource self, StringKey a0) -> bool
14344  has_attribute(StructureSource self, ParticleIndexKey a0) -> bool
14345  has_attribute(StructureSource self, ObjectKey a0) -> bool
14346  """
14347  return _IMP_atom.StructureSource_has_attribute(self, *args)
14348 
14349 
14350  def get_derivative(self, a0):
14351  """get_derivative(StructureSource self, FloatKey a0) -> double"""
14352  return _IMP_atom.StructureSource_get_derivative(self, a0)
14353 
14354 
14355  def get_name(self):
14356  """get_name(StructureSource self) -> std::string"""
14357  return _IMP_atom.StructureSource_get_name(self)
14358 
14359 
14360  def clear_caches(self):
14361  """clear_caches(StructureSource self)"""
14362  return _IMP_atom.StructureSource_clear_caches(self)
14363 
14364 
14365  def set_name(self, a0):
14366  """set_name(StructureSource self, std::string a0)"""
14367  return _IMP_atom.StructureSource_set_name(self, a0)
14368 
14369 
14370  def set_check_level(self, a0):
14371  """set_check_level(StructureSource self, IMP::CheckLevel a0)"""
14372  return _IMP_atom.StructureSource_set_check_level(self, a0)
14373 
14374 
14375  def add_to_derivative(self, a0, a1, a2):
14376  """add_to_derivative(StructureSource self, FloatKey a0, double a1, DerivativeAccumulator a2)"""
14377  return _IMP_atom.StructureSource_add_to_derivative(self, a0, a1, a2)
14378 
14379 
14380  def set_is_optimized(self, a0, a1):
14381  """set_is_optimized(StructureSource self, FloatKey a0, bool a1)"""
14382  return _IMP_atom.StructureSource_set_is_optimized(self, a0, a1)
14383 
14384 
14385  def get_is_optimized(self, a0):
14386  """get_is_optimized(StructureSource self, FloatKey a0) -> bool"""
14387  return _IMP_atom.StructureSource_get_is_optimized(self, a0)
14388 
14389 
14390  def get_check_level(self):
14391  """get_check_level(StructureSource self) -> IMP::CheckLevel"""
14392  return _IMP_atom.StructureSource_get_check_level(self)
14393 
14394 
14395  def __eq__(self, *args):
14396  """
14397  __eq__(StructureSource self, StructureSource o) -> bool
14398  __eq__(StructureSource self, Particle d) -> bool
14399  """
14400  return _IMP_atom.StructureSource___eq__(self, *args)
14401 
14402 
14403  def __ne__(self, *args):
14404  """
14405  __ne__(StructureSource self, StructureSource o) -> bool
14406  __ne__(StructureSource self, Particle d) -> bool
14407  """
14408  return _IMP_atom.StructureSource___ne__(self, *args)
14409 
14410 
14411  def __le__(self, *args):
14412  """
14413  __le__(StructureSource self, StructureSource o) -> bool
14414  __le__(StructureSource self, Particle d) -> bool
14415  """
14416  return _IMP_atom.StructureSource___le__(self, *args)
14417 
14418 
14419  def __lt__(self, *args):
14420  """
14421  __lt__(StructureSource self, StructureSource o) -> bool
14422  __lt__(StructureSource self, Particle d) -> bool
14423  """
14424  return _IMP_atom.StructureSource___lt__(self, *args)
14425 
14426 
14427  def __ge__(self, *args):
14428  """
14429  __ge__(StructureSource self, StructureSource o) -> bool
14430  __ge__(StructureSource self, Particle d) -> bool
14431  """
14432  return _IMP_atom.StructureSource___ge__(self, *args)
14433 
14434 
14435  def __gt__(self, *args):
14436  """
14437  __gt__(StructureSource self, StructureSource o) -> bool
14438  __gt__(StructureSource self, Particle d) -> bool
14439  """
14440  return _IMP_atom.StructureSource___gt__(self, *args)
14441 
14442 
14443  def __hash__(self):
14444  """__hash__(StructureSource self) -> std::size_t"""
14445  return _IMP_atom.StructureSource___hash__(self)
14446 
14447 
14448  def __str__(self):
14449  """__str__(StructureSource self) -> std::string"""
14450  return _IMP_atom.StructureSource___str__(self)
14451 
14452 
14453  def __repr__(self):
14454  """__repr__(StructureSource self) -> std::string"""
14455  return _IMP_atom.StructureSource___repr__(self)
14456 
14457  __swig_destroy__ = _IMP_atom.delete_StructureSource
14458  __del__ = lambda self: None
14459 StructureSource_swigregister = _IMP_atom.StructureSource_swigregister
14460 StructureSource_swigregister(StructureSource)
14461 
14462 def StructureSource_get_is_setup(*args):
14463  """
14464  get_is_setup(Model m, ParticleIndex pi) -> bool
14465  StructureSource_get_is_setup(_ParticleAdaptor p) -> bool
14466  """
14467  return _IMP_atom.StructureSource_get_is_setup(*args)
14468 
14469 def StructureSource_setup_particle(*args):
14470  """
14471  setup_particle(Model m, ParticleIndex pi, std::string source_id, std::string source_chain_id) -> StructureSource
14472  StructureSource_setup_particle(_ParticleAdaptor decorator, std::string source_id, std::string source_chain_id) -> StructureSource
14473  """
14474  return _IMP_atom.StructureSource_setup_particle(*args)
14475 
14476 
14477 def __lshift__(*args):
14478  """
14479  __lshift__(_ostream out, Bonded n) -> _ostream
14480  __lshift__(_ostream out, Bond n) -> _ostream
14481  __lshift__(_ostream out, Hierarchy n) -> _ostream
14482  __lshift__(_ostream out, Angle n) -> _ostream
14483  __lshift__(_ostream out, Dihedral n) -> _ostream
14484  __lshift__(_ostream out, CenterOfMass n) -> _ostream
14485  __lshift__(_ostream out, Diffusion n) -> _ostream
14486  __lshift__(_ostream out, RigidBodyDiffusion n) -> _ostream
14487  __lshift__(_ostream out, TAMDParticle n) -> _ostream
14488  __lshift__(_ostream out, Chain n) -> _ostream
14489  __lshift__(_ostream out, Charged n) -> _ostream
14490  __lshift__(_ostream out, Domain n) -> _ostream
14491  __lshift__(_ostream out, LennardJones n) -> _ostream
14492  __lshift__(_ostream out, Fragment n) -> _ostream
14493  __lshift__(_ostream out, SecondaryStructureResidue n) -> _ostream
14494  __lshift__(_ostream out, Atom n) -> _ostream
14495  __lshift__(_ostream out, Residue n) -> _ostream
14496  __lshift__(_ostream out, Representation n) -> _ostream
14497  __lshift__(_ostream out, State n) -> _ostream
14498  __lshift__(_ostream out, Molecule n) -> _ostream
14499  __lshift__(_ostream out, Copy n) -> _ostream
14500  __lshift__(_ostream out, StructureSource n) -> _ostream
14501  """
14502  return _IMP_atom.__lshift__(*args)
14503 class HelixRestraint(IMP.Restraint):
14504  """Proxy of C++ IMP::atom::HelixRestraint class"""
14505  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14506 
14507  def __init__(self, rs, ideal=True):
14508  """
14509  __init__(IMP::atom::HelixRestraint self, IMP::atom::Residues rs, bool ideal=True) -> HelixRestraint
14510  __init__(IMP::atom::HelixRestraint self, IMP::atom::Residues rs) -> HelixRestraint
14511  """
14512  this = _IMP_atom.new_HelixRestraint(rs, ideal)
14513  try:
14514  self.this.append(this)
14515  except:
14516  self.this = this
14517 
14518  def get_number_of_bonds(self):
14519  """get_number_of_bonds(HelixRestraint self) -> int"""
14520  return _IMP_atom.HelixRestraint_get_number_of_bonds(self)
14521 
14522 
14523  def get_number_of_dihedrals(self):
14524  """get_number_of_dihedrals(HelixRestraint self) -> int"""
14525  return _IMP_atom.HelixRestraint_get_number_of_dihedrals(self)
14526 
14527 
14528  def do_get_inputs(self):
14529  """do_get_inputs(HelixRestraint self) -> IMP::ModelObjectsTemp"""
14530  return _IMP_atom.HelixRestraint_do_get_inputs(self)
14531 
14532 
14533  def get_version_info(self):
14534  """get_version_info(HelixRestraint self) -> VersionInfo"""
14535  return _IMP_atom.HelixRestraint_get_version_info(self)
14536 
14537 
14538  def __str__(self):
14539  """__str__(HelixRestraint self) -> std::string"""
14540  return _IMP_atom.HelixRestraint___str__(self)
14541 
14542 
14543  def __repr__(self):
14544  """__repr__(HelixRestraint self) -> std::string"""
14545  return _IMP_atom.HelixRestraint___repr__(self)
14546 
14547 
14548  @staticmethod
14549  def get_from(o):
14550  return _object_cast_to_HelixRestraint(o)
14551 
14552 HelixRestraint_swigregister = _IMP_atom.HelixRestraint_swigregister
14553 HelixRestraint_swigregister(HelixRestraint)
14554 
14555 
14557  """get_transformation_aligning_first_to_second(Selection s1, Selection s2) -> Transformation3D"""
14558  return _IMP_atom.get_transformation_aligning_first_to_second(s1, s2)
14559 
14560 def show_molecular_hierarchy(*args):
14561  """
14562  show_molecular_hierarchy(Hierarchy h, _ostream out) -> _ostream
14563  show_molecular_hierarchy(Hierarchy h) -> _ostream
14564  """
14565  return _IMP_atom.show_molecular_hierarchy(*args)
14566 class CHARMMBond(object):
14567  """Proxy of C++ IMP::atom::CHARMMConnection<(2)> class"""
14568  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14569  __repr__ = _swig_repr
14570 
14571  def __init__(self, atoms):
14572  """__init__(IMP::atom::CHARMMConnection<(2)> self, IMP::Strings const & atoms) -> CHARMMBond"""
14573  this = _IMP_atom.new_CHARMMBond(atoms)
14574  try:
14575  self.this.append(this)
14576  except:
14577  self.this = this
14578 
14579  def get_endpoint(self, i):
14580  """get_endpoint(CHARMMBond self, unsigned int i) -> CHARMMBondEndpoint"""
14581  return _IMP_atom.CHARMMBond_get_endpoint(self, i)
14582 
14583 
14584  def get_contains_atom(self, name):
14585  """get_contains_atom(CHARMMBond self, std::string name) -> bool"""
14586  return _IMP_atom.CHARMMBond_get_contains_atom(self, name)
14587 
14588 
14589  def show(self, *args):
14590  """
14591  show(CHARMMBond self, _ostream out)
14592  show(CHARMMBond self)
14593  """
14594  return _IMP_atom.CHARMMBond_show(self, *args)
14595 
14596  __swig_destroy__ = _IMP_atom.delete_CHARMMBond
14597  __del__ = lambda self: None
14598 CHARMMBond_swigregister = _IMP_atom.CHARMMBond_swigregister
14599 CHARMMBond_swigregister(CHARMMBond)
14600 
14601 class CHARMMAngle(object):
14602  """Proxy of C++ IMP::atom::CHARMMConnection<(3)> class"""
14603  thisown = _swig_property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc='The membership flag')
14604  __repr__ = _swig_repr
14605 
14606  def __init__(self, atoms):
14607  """__init__(IMP::atom::CHARMMConnection<(3)> self, IMP::Strings const & atoms) -> CHARMMAngle"""
14608  this = _IMP_atom.new_CHARMMAngle(atoms)
14609  try:
14610  self.this.append(this)
14611  except:
14612  self.this = this
14613 
14614  def get_endpoint(self, i):
14615  """get_endpoint(CHARMMAngle self, unsigned int i) -> CHARMMBondEndpoint"""
14616  return _IMP_atom.CHARMMAngle_get_endpoint(self, i)
14617 
14618 
14619  def get_contains_atom(self, name):
14620  """get_contains_atom(CHARMMAngle self, std::string name) -> bool"""
14621  return _IMP_atom.CHARMMAngle_get_contains_atom(self, name)
14622 
14623 
14624  def show(self, *args):
14625  """
14626  show(CHARMMAngle self, _ostream out)
14627  show(CHARMMAngle self)
14628  """
14629  return _IMP_atom.CHARMMAngle_show(self, *args)
14630 
14631  __swig_destroy__ = _IMP_atom.delete_CHARMMAngle
14632  __del__ = lambda self: None
14633 CHARMMAngle_swigregister = _IMP_atom.CHARMMAngle_swigregister
14634 CHARMMAngle_swigregister(CHARMMAngle)
14635 
14636 
14637 def _get_native_overlap_cpp(m1, m2, threshold):
14638  """_get_native_overlap_cpp(IMP::Vector< IMP::algebra::VectorD< 3 > > const & m1, IMP::Vector< IMP::algebra::VectorD< 3 > > const & m2, double threshold) -> double"""
14639  return _IMP_atom._get_native_overlap_cpp(m1, m2, threshold)
14640 
14641 def _get_drmsd_cpp(m0, m1):
14642  """_get_drmsd_cpp(IMP::Vector< IMP::algebra::VectorD< 3 > > const & m0, IMP::Vector< IMP::algebra::VectorD< 3 > > const & m1) -> double"""
14643  return _IMP_atom._get_drmsd_cpp(m0, m1)
14644 
14645 def _get_drmsd_Q_cpp(m0, m1, threshold):
14646  """_get_drmsd_Q_cpp(IMP::Vector< IMP::algebra::VectorD< 3 > > const & m0, IMP::Vector< IMP::algebra::VectorD< 3 > > const & m1, double threshold) -> double"""
14647  return _IMP_atom._get_drmsd_Q_cpp(m0, m1, threshold)
14648 
14649 def _get_drms_cpp(m1, m2):
14650  """_get_drms_cpp(IMP::Vector< IMP::algebra::VectorD< 3 > > const & m1, IMP::Vector< IMP::algebra::VectorD< 3 > > const & m2) -> double"""
14651  return _IMP_atom._get_drms_cpp(m1, m2)
14652 
14653 def _get_rigid_bodies_drms_cpp(m1, m2, ranges):
14654  """_get_rigid_bodies_drms_cpp(IMP::Vector< IMP::algebra::VectorD< 3 > > const & m1, IMP::Vector< IMP::algebra::VectorD< 3 > > const & m2, IMP::IntRanges const & ranges) -> double"""
14655  return _IMP_atom._get_rigid_bodies_drms_cpp(m1, m2, ranges)
14656 
14657 def get_native_overlap(a, b, d):
14658  va= [IMP.algebra.get_vector(x) for x in a]
14659  vb= [IMP.algebra.get_vector(x) for x in b]
14660  return _get_native_overlap_cpp(va, vb, d)
14661 
14662 def get_drmsd(a, b):
14663  va= [IMP.algebra.get_vector(x) for x in a]
14664  vb= [IMP.algebra.get_vector(x) for x in b]
14665  return _get_drmsd_cpp(va, vb)
14666 
14667 def get_drms(a, b):
14668  va= [IMP.algebra.get_vector(x) for x in a]
14669  vb= [IMP.algebra.get_vector(x) for x in b]
14670  return _get_drms_cpp(va, vb)
14671 
14672 def get_drmsd_Q(a, b, t):
14673  va= [IMP.algebra.get_vector(x) for x in a]
14674  vb= [IMP.algebra.get_vector(x) for x in b]
14675  return _get_drmsd_Q_cpp(va, vb, t)
14676 
14677 def get_rigid_bodies_drms(a, b, ranges):
14678  va= [IMP.algebra.get_vector(x) for x in a]
14679  vb= [IMP.algebra.get_vector(x) for x in b]
14680 #rs = [IMP.IntRange(r[0],r[1]) for r in ranges]
14681  return _get_rigid_bodies_drms_cpp(va, vb, ranges)
14682 
14683 
14684 
14685 def get_module_version():
14686  """get_module_version() -> std::string const"""
14687  return _IMP_atom.get_module_version()
14688 
14689 def get_example_path(fname):
14690  """get_example_path(std::string fname) -> std::string"""
14691  return _IMP_atom.get_example_path(fname)
14692 
14693 def get_data_path(fname):
14694  """get_data_path(std::string fname) -> std::string"""
14695  return _IMP_atom.get_data_path(fname)
14696 
14697 from . import _version_check
14698 _version_check.check_version(get_module_version())
14699 __version__ = get_module_version()
14700 
14701 
14702 
A base class for geometry contained in particles.
A base class for modifiers of ParticlesTemp.
AtomType add_atom_type(std::string name, Element e)
Create a new AtomType.
double get_kt(double T)
Return kT for a given temperature in units of [kcal/mol].
double get_volume_from_residue_type(ResidueType rt)
Return an estimate for the volume of a given residue.
Abstract class for scoring object(s) of type ParticleIndexPair.
Definition: PairScore.h:37
A shared container for Pairs.
Definition: PairContainer.h:37
CHARMMParameters * get_heavy_atom_CHARMM_parameters()
double get_einstein_rotational_diffusion_coefficient(double r, double temp=-1)
Float get_secondary_structure_match_score(SecondaryStructureResidue ssr1, SecondaryStructureResidue ssr2)
Compares the secondary structure probabilities of two residues.
double get_rigid_bodies_drms(const Vector3DsOrXYZs0 &m1, const Vector3DsOrXYZs1 &m2, const IMP::IntRanges &ranges)
DRMS between two sets of rigid bodies.
Chain get_chain(Hierarchy h)
Get the containing chain or Chain() if there is none.
CheckLevel get_check_level()
Get the current audit mode.
Definition: exception.h:81
Vector< AtomTypes > get_chi_dihedral_atom_types(ResidueType rt)
setup
Definition: setup.py:1
Atoms get_phi_dihedral_atoms(Residue rd)
Return the atoms comprising the phi dihedral.
void show_molecular_hierarchy(Hierarchy h)
Print out the molecular hierarchy.
double get_drms(const Vector3DsOrXYZs0 &m1, const Vector3DsOrXYZs1 &m2)
void remove_charmm_untyped_atoms(Hierarchy hierarchy)
Remove any atom from the Hierarchy that does not have a CHARMM type.
double get_protein_density_from_reference(ProteinDensityReference densityReference)
void show_with_representations(Hierarchy h, std::ostream &out=std::cout)
Traverse through the tree and show atom info, including representations.
Hierarchy create_simplified_from_volume(Hierarchy h, double resolution)
void add_particles(RMF::FileHandle fh, const ParticlesTemp &hs)
double get_spring_constant_in_femto_newtons_per_angstrom(double k_in_kcal_per_mol_per_angstrom_square)
Convert spring constant from kcal/mol/A^2 to femtonewton/A.
double get_native_overlap(const Vector3DsOrXYZs0 &m1, const Vector3DsOrXYZs1 &m2, double threshold)
Computes the native overlap between two sets of 3D points.
Various classes to hold sets of particles.
The base class for geometry.
IMP::core::RigidBody create_compatible_rigid_body(Hierarchy h, Hierarchy reference)
Rigidify a molecule or collection of molecules.
Hierarchy create_simplified_along_backbone(Hierarchy input, int num_res, bool keep_detailed=false)
double get_drmsd(const Vector3DsOrXYZs0 &m0, const Vector3DsOrXYZs1 &m1)
Calculate distance the root mean square deviation between two sets of 3D points.
Definition: atom/distance.h:49
Vector< VectorD< D > > get_vertices(const BoundingBoxD< D > &bb)
Return a list of the 2^D bounding points for the bounding box.
Definition: BoundingBoxD.h:274
double get_mass(ResidueType c)
Get the mass from the residue type.
void add_radii(Hierarchy d, const ForceFieldParameters *ffp=get_all_atom_CHARMM_parameters(), FloatKey radius_key=FloatKey("radius"))
A base class for geometry from a set of particles.
double get_dihedral(XYZ a, XYZ b, XYZ c, XYZ d)
Compute the dihedral angle (in radians) between the four particles.
double get_mass_from_number_of_residues(unsigned int num_aa)
Estimate the mass of a protein from the number of amino acids.
Make CGAL functionality available to IMP.
Provenance create_clone(Provenance p)
Clone provenance (including previous provenance)
Atoms get_omega_dihedral_atoms(Residue rd)
Return the atoms comprising the omega dihedral.
ParticleIndexQuads get_chi_dihedral_particle_indexes(Residue rd)
void write_pdb(const Selection &mhd, TextOutput out, unsigned int model=1)
void setup_as_approximation(Particle *h, const ParticlesTemp &other)
ParticlesTemp get_particles(Model *m, const ParticleIndexes &ps)
Get the particles from a list of indexes.
double get_mass_from_volume(double v, ProteinDensityReference ref=ALBER)
Estimate the mass of a protein from its volume.
void destroy_bond(Bond b)
Destroy the bond connecting two particles.
HierarchyTree get_hierarchy_tree(Hierarchy h)
Get a graph for the passed Hierarchy.
void add_particle(RMF::FileHandle fh, Particle *hs)
Atoms get_charmm_untyped_atoms(Hierarchy hierarchy)
Get all atoms in the Hierarchy that do not have CHARMM types.
std::string get_data_path(std::string file_name)
Return the full path to one of this module's data files.
char get_one_letter_code(ResidueType c)
Get the 1-letter amino acid code from the residue type.
Atom get_atom(Residue rd, AtomType at)
Return a particle atom from the residue.
Composable functors to implement scores via compile-time composition.
double get_angle(const Line3D &a, const Line3D &b)
Get angle in radians between two lines around their closest points.
Restraint * create_excluded_volume_restraint(const Hierarchies &hs, double resolution=-1)
Bond create_custom_bond(Bonded a, Bonded b, Float length, Float stiffness=-1)
Connect the two wrapped particles by a custom bond.
void write_pdb_of_c_alphas(const Selection &mhd, TextOutput out, unsigned int model=1)
Write a hierarchy to a PDB as C_alpha atoms.
Hierarchies read_multimodel_mmcif(TextInput input, Model *model, PDBSelector *selector=get_default_pdb_selector())
Read all models from the mmCIF file.
double get_kd(double na, double nb, double nab, double volume)
Definition: estimates.h:101
double get_diffusion_angle(double D, double dtfs)
IMP::algebra::Transformation3D get_transformation_aligning_first_to_second(const Vector3DsOrXYZs0 &source, const Vector3DsOrXYZs1 &target)
Compute the rigid transform bringing the first point set to the second.
bool get_atom_type_exists(std::string name)
Return true if that atom type already exists.
double get_volume(const BoundingBoxD< D > &bb)
See BoundingBoxD.
Definition: BoundingBoxD.h:163
FloatPair get_component_placement_score(const core::XYZs &ref1, const core::XYZs &ref2, const core::XYZs &mdl1, const core::XYZs &mdl2)
Measure the difference between two placements of the same set of points.
void transform(Hierarchy h, const algebra::Transformation3D &tr)
Transform a hierarchy. This is aware of rigid bodies.
core::XYZR create_cover(const Selection &s, std::string name=std::string())
double get_volume_from_mass(double m, ProteinDensityReference ref=ALBER)
Estimate the volume of a protein from its mass.
Ints get_index(const ParticlesTemp &particles, const Subset &subset, const Subsets &excluded)
Common base class for heavy weight IMP objects.
Definition: Object.h:106
Hierarchy create_protein(Model *m, std::string name, double target_radius, int number_of_residues, int first_residue_index=0, double volume=-1)
Create a coarse grained molecule.
Atoms get_psi_dihedral_atoms(Residue rd)
Return the atoms comprising the psi dihedral.
Abstract class for scoring object(s) of type ParticleIndex.
ParticlesTemp get_order(const Subset &s, const SubsetFilterTables &sft)
Bond create_bond(Bonded a, Bonded b, Int t)
Connect the two wrapped particles by a bond.
double get_rotational_diffusion_coefficient(const algebra::Rotation3Ds &orientations, double dt)
Hierarchy read_mmcif(TextInput input, Model *model, PDBSelector *selector=get_default_pdb_selector())
Read all the molecules in the first model of the mmCIF file.
Base class for all optimizers.
Definition: Optimizer.h:46
double get_rmsd(const Vector3DsOrXYZs0 &m1, const Vector3DsOrXYZs1 &m2)
Hierarchy get_previous_residue(Residue rd)
Return the residue from the same chain with one lower index.
SecondaryStructureResidue setup_coarse_secondary_structure_residue(const Particles &ssr_ps, Model *mdl, bool winner_takes_all_per_res=false)
Coarsen some SecondaryStructureResidues.
double get_molarity(double n, double volume)
Definition: estimates.h:92
boost::graph HierarchyTree
A graph for representing a Hierarchy so you can view it nicely.
Hierarchy read_mol2(TextInput mol2_file, Model *model, Mol2Selector *mol2sel=nullptr)
Create a hierarchy from a Mol2 file.
Version and module information for Objects.
Definition: VersionInfo.h:28
double get_radius_of_gyration(const Vector3Ds &ps)
Return the radius of gyration of a set of points.
Definition: Vector3D.h:77
A decorator for a particle with x,y,z coordinates.
Definition: XYZ.h:30
void add_loop_statistical_score_data(atom::Hierarchy h)
Restraint * create_internal_connectivity_restraint(const Selection &s, double k, std::string name="Connectivity%1%")
Create a restraint connecting the selection.
void write_mol2(Hierarchy rhd, TextOutput file_name)
Write a ligand hierarchy as a mol2 file.
Hierarchy read_pdb(TextInput input, Model *model, PDBSelector *selector=get_default_pdb_selector(), bool select_first_model=true)
Read all the molecules in the first model of the PDB file.
int get_state_index(Hierarchy h)
Walk up the hierarchy to find the current state.
SecondaryStructureResidues setup_coarse_secondary_structure_residues(const Particles &ssr_ps, Model *mdl, int coarse_factor, int start_res_num, bool winner_takes_all_per_res=false)
void add_protein_ligand_score_data(Hierarchy h)
Interface to specialized Particle types (e.g. atoms)
Definition: Decorator.h:118
std::string get_molecule_name(Hierarchy h)
std::ostream & show(Hierarchy h, std::ostream &out=std::cout)
Print the hierarchy using a given decorator to display each node.
Vector< Atoms > get_chi_dihedral_atoms(Residue rd)
double get_pairwise_rmsd_score(const core::XYZs &ref1, const core::XYZs &ref2, const core::XYZs &mdl1, const core::XYZs &mdl2)
Measure the RMSD between two placements of the same set of points.
double get_force_in_femto_newtons(double force_in_kcal_per_mol_per_angstrom)
Convert force from kcal/mol/A to femtonewtons.
Basic functionality that is expected to be used by a wide variety of IMP users.
Abstract predicate function.
Definition: PairPredicate.h:31
General purpose algebraic and geometric methods that are expected to be used by a wide variety of IMP...
Hierarchies read_multimodel_pdb(TextInput input, Model *model, PDBSelector *selector=get_default_pdb_selector())
std::string get_example_path(std::string file_name)
Return the full path to one of this module's example files.
Residue get_residue(Atom d, bool nothrow=false)
Return the Residue containing this atom.
Shared optimizer state that is invoked upon commitment of new coordinates.
Hierarchy get_root(Hierarchy h)
Return the root of the hierarchy.
Abstract class to implement hierarchical methods.
Definition: Refiner.h:34
void add_dope_score_data(atom::Hierarchy h)
Bond get_bond(Bonded a, Bonded b)
Get the bond between two particles.
std::string show_graphviz(Graph g)
Restraint * create_distance_restraint(const Selection &n0, const Selection &n1, double x0, double k, std::string name="Distance%1%")
Representation get_representation(Hierarchy h, bool nothrow=false)
Return the Representation object containing this hierarchy.
FloatPair get_placement_score(const core::XYZs &source, const core::XYZs &target)
Measure the difference between two placements of the same set of points.
void write_multimodel_pdb(const Hierarchies &mhd, TextOutput out)
int get_copy_index(Hierarchy h)
Walk up the hierarchy to find the current copy index.
A decorator for helping deal with a generalized hierarchy.
double get_maximum_time_step_estimate(BrownianDynamics *bd)
double get_diffusion_coefficient(const algebra::Vector3Ds &displacements, double dt)
double get_surface_area(const Geometry &)
Compute the surface area of any volumetric object.
double get_resolution(Model *m, ParticleIndex pi)
Estimate the resolution of the hierarchy as used by Representation.
double get_rmsd_transforming_first(const Transformation3D &tr, const Vector3DsOrXYZs0 &m1, const Vector3DsOrXYZs1 &m2)
Calculate the root mean square deviation between two sets of 3D points.
Hierarchy create_simplified_assembly_from_volume(Hierarchy h, double resolution)
Output IMP model data in various file formats.
std::string get_chain_id(Hierarchy h)
Walk up the hierarchy to determine the chain id.
IMP::core::RigidBody create_rigid_body(const Hierarchies &h, std::string name=std::string("created rigid body"))
Rigidify a molecule or collection of molecules.
CHARMMParameters * get_all_atom_CHARMM_parameters()
Hierarchies get_leaves(const Selection &h)
double get_einstein_diffusion_coefficient(double r, double temp=-1)
double get_drmsd_Q(const Vector3DsOrXYZs0 &m0, const Vector3DsOrXYZs1 &m1, double threshold)
Definition: atom/distance.h:85
DensityMap * get_segment(DensityMap *map_to_segment, int nx_start, int nx_end, int ny_start, int ny_end, int nz_start, int nz_end)
Get a segment of the map according to xyz indexes.
Applies a PairScore to each Pair in a list.
Hierarchy get_next_residue(Residue rd)
Return the residue from the same chain with one higher index.
Restraint * create_connectivity_restraint(const Selections &s, double k, std::string name="Connectivity%1%")
Create a restraint connecting the selections.
void add_bonds(Hierarchy d, const ForceFieldParameters *ffp=get_all_atom_CHARMM_parameters())
void set_check_level(CheckLevel tf)
Control runtime checks in the code.
Definition: exception.h:73
double get_diffusion_length(double D, double t)
std::string get_module_version()
Return the version of this module, as a string.
A restraint is a term in an IMP ScoringFunction.
Definition: Restraint.h:54
A decorator for a particle with x,y,z coordinates and a radius.
Definition: XYZR.h:27